A0A5K4F9J5_SCHMA Loading...

Cadherin domain-containing protein AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A5K4F9J5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,334 aa.

						>A0A5K4F9J5_SCHMA|A0A5K4F9J5
MIIWNIIYHPTLLINADDLYTNEIIVTRFQIGYQYMYKWKIIHELYNSYRLTNEKINNNNKIDNQIYIIEGLAKIISGPNCDMRLSLHHVEEPGEIQTTGNLSYHEKYPIKFCLSNGRLLSFEYSSQDEISSVRIKKALLFQLQMSSQTYGQQFYTVEIDHLGSCQTEYVPKTVNSHTVTMIKKRNSMFCNDEYQPFFIRDNSKLNDQQFTINNRPLYLQSDLICELTHKLNGPITNVNCQETSITQQQWFLSFSINTLTLNVNMQINLTGETEYNDEFIEFDRTSKIDFEFPDKNQNQTMIINNLLIENNFTNHNYINMIMNSPEKFSYFIEQLKCLTYEQWKIVYSSWEENIQTNEIRNFLENVILEVQTESSIIFIINHFIVNAKNEYKQLKWINHLSIMKKPTIEMMKEIKSLLTSHLYNHTVYYVSVSIKLFCENHPSCMKIQIIHEMVNIIENSVDLQDNIKSLKTLEIIENIGQFLSSQKIIKIIEKNLMDHNNNDNNLRLYVGQIIDHFSCEPQIDNHLWSIFLNTNESNELRITIFNSLIKCLTDEKIKKILNILSKSLDNQIRSYVISKLFSLLKTHDPSKMDLYLNVRKYENEITQLNKDNGFLFSIRNSGYHEWIQKTKYGIFFIELTTIYESYSILPNTLKMRLKYQNKEKLSNVFNVVYQYGSETFFYKFLINLIKTITSTYVPWMKDYTVNVDNQTQTFRKYDSIFIKWFDKIVFHSSNISYQLQNWFSTTKTFWSQPIELNHAKHLWKSKNEHPLLSGFYIEWETNVISYMNSYMNSVYSLNPYQFSLFINHKSKFYTSQRVQLVSGSHEIFGFQSDRKIDWNFHVNNSFKLATDPNNLLLEILFDPWSYNYELFKYTKNDFLMKNSKPYVDFQLSKLNHWTRTTFKPFNWFHLNIEKLCSSENIYSSIQVLQINIIEAKGFFLNFNYLSMDEEENNNKTNSISFLIHRTNVSMQQNHVTQNNNFQFNLKINNQNDSLRHVDLKLSVFQKDSYHLIIDITEDDLIQAIGYFNQQRIFKVNGSLDIQGNDTNARIQLYNPFIILNVSFRKYHNSLIVMQAISQADHFPFQFSWINYVTNQPNLKMLGMNAFQTSISFNVSNFLNIYWSFNLNSTEDNNPPSYYSTMLFNVTIFEHFLVYQNSIYWNETLNNKTTVNTNENDKNITIKTKAQSSVSNHFDYECTINMFKTKEFLTPYYGQPTKFYIHIYVVSPNRSCLRQFSLLTNHGVNIQQSRSIKTSVTSTFADEKIGFILNNELEWKLTDIGTINRLHSTTDIYSKSTKESIKFLLLHDIENQLLSSILMEYNDEYHQKIYSIKSWLQPWRNQHEFTFQWPNLQIIQILTIYDIIPIDLYSGITLDHVIYINHYKYFIIKNQIMFKLDEQKLFILHQTKRFNTTNTNQLSNISNNEDIISQLELVLQFYYNINLIPLHIKFICESKINFLLLNYKINKNYVGKLKLNLKKLNGDILFELLNNQFNDNIQFNINYDLNYKSIINIILKINIQSNIENHLLINWKSINHSLFFIINCKISSFIHLIYHFKHRWHNVDYHIGGSNMLSVQSFLLNHWFSGFYLNNNYILQLNLNQKLFEIRTEYSLTNSLGPGSPIRIRINFKHDKKYKHGNLEIGLDSQLIGYYIGYEMMNTMMEYQLDSSDNKKSIDFISRCLIGYRLYEGRGTKGYQIELFIIQYQNNYQLDILFKIGRPGLIHQNIIEYNHLLQTNQTKFQISTIYLNNPYFHLNFDIQFIETLLFPIYSNISLFIPWNDLRFIVKEQLNINNSSSIIQQNLLIFINQSITFYYFNQSLFFENKFIESLNIYKYLYLQWDTNIISSHMSSILSYKYIKNIMNTTIYEQFFGDWNSSIYLLFIQNYFNNSFNIYYNLTDHLWNNMIHGNITKMNERKQNYSVNQYNYYGNYKISFYHIDFQLNNTIIIYIKQINNYMIRNLIEFISCQNQTNYYIYSMEYSYKQRQRQQQQSDSISYHFYNTINNKNISNIDLQLKGFNNFQFSIKIIPNSFINIQLIDIQLINNLSIKDIVWFFNGSIEILPYLPKILTFIIIHPIKSDLNDHLLPVQSIPFQCLILIQNTNNNSEWKLFNMSLVQTLYNQSNIQVITLNIQLITPYIRLSYITMKENKLIQSITNNQTTNDLIEYNHIKNDNQSNNIELTLLQSNNNNLSILINIDEKYKIFFEIKKIIINSSFNHFINVSLYDKQIKLGNYLQIIEINQLNKQTIYQLKNYLYIINNNNDNNHIYNLSIKLINSNKQNKILFNLFTLNFYLNLPIIMEQQTNEINIYLENNNKIDPFNDITILNYSLQINNQIYCQLQSKLIINKNLLFLKYEINLKNQLIKFKENRNYFIEINLNEQTNYSIIFKSNKNYLIISYDIFQSLFIISIDNFLYFKTNIFKFISILLHTTDNLNHQKQNIQQIITQPSLINNENSSIDFILVSPNYIDLNFQFQLYNDITQTYRFVTTNLNLSSNLLYIPSLDFLFSMKHNIVSKRLATKLDHYGYTKNLLCNNINQSNLIMQTNTPNNENKFIIALKSYLQIYKNTVYNSDIHVNFHRITEKITPYTIDIDINKMNEQSKNLYVQVHAKYDPLDQNNFITKLIMKNDKKSIHFTMLSDLHKSQVISLLNSNISSDNNEIYIDYLSENQKKTVYIRTSLRNITYSIESSQLIINENNIYKNKTIKYEFINVKNSKRKKDIKIKFISYQNYILDSDKKGDDHMERLQYAGFILNTNILKQGSINILSKISKSPDNTQLIVTMNHGHKSAADHQFIVTWPHVFEEKHYPLLFLKTLNKTLNLTGAYFQQSGILNTSLQIITNEHHTQCKFYWKKWNSIHLLIDNHLELNYNLIYQNYNNNIYHIKYDYYDIFQVIYQLHNQDRNMVVNNGDLLAIKSVIGSDEHKTILQVKITKNYGAMLQVTSHHQSINQSNLNGRLIVHIDHSNILHLFSYWRPEICEDVSLSINEFPKQLNSLIQLSFAKIYQYGQQSIILFSNDFMNSINEIQLNQFINIIHNDLEYISHLFLYCLYNELFNISIFKNILPIKLNITKLNIWEIFQELKHTTNSLIKFNLNLIQYFDNIYKSLLIYVKSNTQHNSFQKIVDNINPLLNYMVNTTIQKSEEFSKDSIKGLKLSFNALDAFWHSMVEIYSIWIEPPSKIKEIIFILLVNDTRNSGKLENITVYLKHLNERLKIAHSLFESIRNNISTIGQCASNRISEQWWDENSNYEQLSQFIQLIKQKQIEESYKTLFKPHLRNFIRSMNKNQYYVKMYIPQLIKIFTHYVPKIWPYYIQILEEQSKMKSQINHLTTESNNFV
					

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

Download 11 Fragment Structures AlphaSync Parameters PDBs 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	32.2	Very low	37.7	Very low	203 Å²	203	158.9 Å²	158.9	100%	1	78%	0.784	S	S	*	*				0	-50.2	0	-81.4	-72.4	-174.7	0	0	111.6	I3 W4	M1-I3 PolarHBondContact O-N 2.7Å; M1-I3 VanDerWaalsContact O-N 3.14Å; M1-W4 PolarHBondContact O-N 3.17Å; M1-W4 VanDerWaalsContact O-N 3.12Å
2	I	40.1	Very low	37.3	Very low	161 Å²	161	158.8 Å²	158.8	83%	0.826	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-25.3	177.1	-63.2	168.4	0	0	0	113.5
3	I	38.4	Very low	36.7	Very low	144 Å²	144	160.5 Å²	160.5	74%	0.738	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-12	-179.4	-63.5	169	0	0	0	113.1	M1	M1-I3 PolarHBondContact O-N 2.7Å; M1-I3 VanDerWaalsContact O-N 3.14Å
4	W	34.4	Very low	36.5	Very low	208 Å²	208	158.7 Å²	158.7	79%	0.788	79%	0.792	S	S	*	*	S	Bend	trans	-95.1	-11.6	-169.4	-134.5	31.4	0	0	0	115.9	M1	M1-W4 PolarHBondContact O-N 3.17Å; M1-W4 VanDerWaalsContact O-N 3.12Å
5	N	39.7	Very low	36.2	Very low	149 Å²	149	158.3 Å²	158.3	80%	0.797	79%	0.793	S	S	*	*	S	Bend	trans	-97.9	1.1	-179.9	-76.9	-10.8	0	0	0	114.9
6	I	46.6	Very low	35.8	Very low	148 Å²	148	154.4 Å²	154.4	76%	0.759	79%	0.794	S	S	*	*	S	Bend	trans	-82.4	-16.3	176.2	-62.3	175.6	0	0	0	111.8
7	I	47	Very low	35.6	Very low	119 Å²	119	153.9 Å²	153.9	61%	0.61	79%	0.793	S	S	*	*	S	Bend	trans	-91.7	-13	-170.1	-61.1	177.7	0	0	0	113.6
8	Y	35.2	Very low	35.2	Very low	198 Å²	198	153.3 Å²	153.3	78%	0.776	79%	0.791	S	S	*	*	S	Bend	trans	-131.9	74.2	179.5	-85.1	-83.8	0	0	0	112.5
9	H	36.4	Very low	35	Very low	183 Å²	183	154.7 Å²	154.7	85%	0.847	80%	0.799	S	S	*	*			trans	-179.3	93.7	134.5	-100.9	-66.3	0	0	0	109.9
10	P	31.1	Very low	34.8	Very low	106 Å²	106	156.8 Å²	156.8	69%	0.688	80%	0.798	S	S	*	*			trans	-78.2	150.6	165.9	33.4	-29.6	0	0	0	109.7
11	T	33.1	Very low	34.7	Very low	129 Å²	129	155.7 Å²	155.7	79%	0.791	80%	0.799	S	S	*	*			trans	69	87.6	165.2	61.6	0	0	0	0	117.8
12	L	33.1	Very low	34.7	Very low	158 Å²	158	152.5 Å²	152.5	83%	0.827	79%	0.786	S	S	*	*			trans	-152.4	69.7	136.2	-103.1	156.7	0	0	0	107.9	I14	L12-I14 HydrophobicContact CD2-CD1 3.7Å; L12-I14 HydrophobicContact CD2-CG1 4.09Å; L12-I14 PolarHBondContact O-N 3.12Å
13	L	29.3	Very low	34.5	Very low	180 Å²	180	153.2 Å²	153.2	94%	0.942	79%	0.786	S	S	*	*			trans	-77.3	90.9	159	-91.6	151.1	0	0	0	106.6
14	I	35.1	Very low	34.8	Very low	136 Å²	136	150.3 Å²	150.3	70%	0.697	77%	0.771	S	S	*	*			trans	-122.7	111.7	159	-63.7	176.7	0	0	0	105.8	L12 A16	L12-I14 HydrophobicContact CD2-CD1 3.7Å; L12-I14 HydrophobicContact CD2-CG1 4.09Å; L12-I14 PolarHBondContact O-N 3.12Å; I14-A16 PolarHBondContact O-N 2.95Å
15	N	30.8	Very low	35.4	Very low	152 Å²	152	143.6 Å²	143.6	81%	0.813	75%	0.75	S	S	*	*			trans	-2.5	101.5	171	-63.9	-12.5	0	0	0	115.8	D17	N15-D17 VanDerWaalsContact C-N 3.26Å; N15-D17 PolarHBondContact O-N 2.78Å
16	A	31	Very low	36.1	Very low	97 Å²	97	137.5 Å²	137.5	80%	0.802	72%	0.718	S	S	*	*			trans	-82.5	76.9	158.8	0	0	0	0	0	108.4	I14	I14-A16 PolarHBondContact O-N 2.95Å
17	D	31.3	Very low	36.8	Very low	145 Å²	145	131 Å²	131	78%	0.775	69%	0.685	S	S	*	*			trans	-148.9	75.7	162.3	-86.2	-31.7	0	0	0	105.9	N15	N15-D17 VanDerWaalsContact C-N 3.26Å; N15-D17 PolarHBondContact O-N 2.78Å
18	D	29.4	Very low	37.8	Very low	143 Å²	143	132.6 Å²	132.6	77%	0.765	68%	0.683	S	S	*	*			trans	171.7	64.7	157	-87.9	-18.6	0	0	0	110.3
19	L	31.5	Very low	39.8	Very low	180 Å²	180	124.2 Å²	124.2	94%	0.942	65%	0.651	S	S	*	*			trans	-125.9	56.9	155.9	-81.9	164.4	0	0	0	107.6	T21	L19-T21 PolarHBondContact O-N 2.71Å
20	Y	30.9	Very low	41.9	Very low	196 Å²	196	120.1 Å²	120.1	77%	0.769	63%	0.632	S	S	*	*			trans	-58.4	134.1	158.7	-92	-86.5	0	0	0	108.7	N22	Y20-N22 VanDerWaalsContact C-N 3.31Å; Y20-N22 PolarHBondContact O-N 3.02Å
21	T	31.8	Very low	44.3	Very low	134 Å²	134	120.5 Å²	120.5	82%	0.822	63%	0.627	S	S	*	*			trans	-52.1	84.3	172.3	49.9	0	0	0	0	111.3	L19	L19-T21 PolarHBondContact O-N 2.71Å
22	N	32	Very low	46.6	Very low	136 Å²	136	115.7 Å²	115.7	73%	0.727	60%	0.603	S	S	*	*			trans	-79.1	123.4	159.4	-79.4	-17.4	0	0	0	107.2	Y20 I24	Y20-N22 VanDerWaalsContact C-N 3.31Å; Y20-N22 PolarHBondContact O-N 3.02Å; N22-I24 WeakPolarHBondContact O-CG1 3.26Å; N22-I24 PolarHBondContact O-N 3.2Å
23	E	36.2	Very low	49.2	Very low	176 Å²	176	111 Å²	111	82%	0.822	58%	0.575	S	S	*	*			trans	-56	104.5	165.6	-70.8	-179.2	150.6	0	0	108.2	I25	E23-I25 PolarHBondContact O-N 3.44Å
24	I	45.1	Very low	52.1	Low	83 Å²	83	104.3 Å²	104.3	43%	0.426	54%	0.539	S	S	.	.			trans	-80.6	112	-178.3	-64.2	163.3	0	0	0	108.3	N22 V26 S147	N22-I24 WeakPolarHBondContact O-CG1 3.26Å; N22-I24 PolarHBondContact O-N 3.2Å; I24-V26 HydrophobicContact CG2-CG2 4.26Å; I24-V26 PolarHBondContact O-N 3.36Å; I24-S147 PolarHBondContact O-OG 3.05Å
25	I	46.2	Very low	54.8	Low	67 Å²	67	97.9 Å²	97.9	34%	0.344	51%	0.506	S	S	.	.			trans	-78.8	103	174.1	-55.4	170.8	0	0	0	107.9	E23 R28 N232	E23-I25 PolarHBondContact O-N 3.44Å; I25-R28 HydrophobicContact CG2-CB 4.38Å; I25-N232 PolarHBondContact O-OD1 3.39Å
26	V	55.8	Low	57.8	Low	21 Å²	21	92.6 Å²	92.6	13%	0.127	48%	0.477	C	S	.	.			trans	-77.4	-31.4	-170.6	-178.8	0	0	0	0	112.8	I24 M145 H229	I24-V26 HydrophobicContact CG2-CG2 4.26Å; I24-V26 PolarHBondContact O-N 3.36Å; V26-M145 HydrophobicContact CB-CE 4.3Å; V26-M145 HydrophobicContact CG1-CE 3.23Å; V26-M145 HydrophobicContact CG1-SD 4.18Å; V26-H229 WeakPolarHBondContact CG1-NE2 3.01Å; V26-H229 PolarHBondContact O-CD2 2.8Å
27	T	60.2	Low	60.8	Low	11 Å²	11	88 Å²	88	7%	0.067	44%	0.439	C	S	.	.			trans	-127.8	121.6	174.9	51.5	0	0	0	0	110.8	G117 M145 G233 I235	T27-G117 WeakPolarHBondContact OG1-CA 3.43Å; T27-M145 HydrophobicContact CG2-CE 3.4Å; T27-G233 WeakPolarHBondContact CA-O 3.42Å; T27-I235 HydrophobicContact CG2-CD1 4.14Å; T27-I235 HydrophobicContact CG2-CG1 3.64Å
28	R	67.9	Low	63.8	Low	153 Å²	153	86 Å²	86	58%	0.577	42%	0.423	S	S	*	.			trans	-127.3	106.2	177.9	-160.7	176	-174.4	177	1.8	109.4	I25 G233	I25-R28 HydrophobicContact CG2-CB 4.38Å; R28-G233 PolarHBondContact N-O 2.84Å
29	F	77.4	Confident	66.9	Low	23 Å²	23	79.3 Å²	79.3	10%	0.101	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-75	120.5	162	-64.9	-74.6	0	0	0	107.7	I31 Y35 Y37 M83 L114 P234	F29-I31 PolarHBondContact O-N 3.16Å; F29-Y35 HydrophobicContact CB-CE2 3.91Å; F29-Y35 HydrophobicContact CD1-CD1 4.26Å; F29-Y35 AromaticContact CD1-CD2 3.54Å; F29-Y35 HydrophobicContact CD1-CD2 3.54Å; F29-Y35 HydrophobicContact CD1-CE1 4.31Å; F29-Y35 AromaticContact CD1-CE2 3.56Å; F29-Y35 HydrophobicContact CD1-CE2 3.56Å; F29-Y35 AromaticContact CD1-CG 3.91Å; F29-Y35 HydrophobicContact CD1-CG 3.91Å; F29-Y35 AromaticContact CD1-CZ 3.96Å; F29-Y35 HydrophobicContact CE1-CD2 4.21Å; F29-Y35 HydrophobicContact CE1-CG 4.18Å; F29-Y35 HydrophobicContact CG-CD2 4.48Å; F29-Y35 HydrophobicContact CG-CE2 4.22Å; F29-Y37 HydrophobicContact CE1-CE2 4.27Å; F29-M83 HydrophobicContact CB-SD 4.46Å; F29-M83 HydrophobicContact CD2-SD 4Å; F29-M83 HydrophobicContact CG-SD 4.48Å; F29-L114 HydrophobicContact CD2-CD1 4.4Å; F29-L114 HydrophobicContact CE2-CD1 3.77Å; F29-P234 HydrophobicContact CD1-CB 4.17Å; F29-P234 HydrophobicContact CE1-CB 3.93Å
30	Q	80.7	Confident	69.9	Low	96 Å²	96	73.8 Å²	73.8	45%	0.449	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-68.8	131.3	178.2	-67.6	-179.7	-10.7	0	0	109.1	G32 Y33 Y35 S77	Q30-G32 PolarHBondContact O-N 3.21Å; Q30-Y33 HydrophobicContact CB-CD2 3.31Å; Q30-Y33 HydrophobicContact CB-CE2 3.77Å; Q30-Y33 HydrophobicContact CB-CG 3.96Å; Q30-Y33 HydrophobicContact CG-CD2 4.47Å; Q30-Y33 WeakPolarHBondContact O-CB 3.31Å; Q30-Y33 PolarHBondContact O-N 3.22Å; Q30-Y35 PolarHBondContact N-OH 3.09Å; Q30-S77 VanDerWaalsContact O-CB 3.24Å; Q30-S77 WeakPolarHBondContact O-CB 3.32Å; Q30-S77 PolarHBondContact O-OG 2.99Å
31	I	80.9	Confident	72.9	Confident	115 Å²	115	64.4 Å²	64.4	59%	0.59	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	135.4	178.3	-62.1	168.3	0	0	0	108.3	F29 P79	F29-I31 PolarHBondContact O-N 3.16Å; I31-P79 HydrophobicContact CG2-CB 4.4Å
32	G	82.7	Confident	75.7	Confident	27 Å²	27	59.5 Å²	59.5	28%	0.278	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	9.1	-177.1	0	0	0	0	0	114.3	Q30 S77 Y275	Q30-G32 PolarHBondContact O-N 3.21Å; G32-S77 PolarHBondContact N-O 2.91Å; G32-Y275 PolarHBondContact O-N 2.81Å
33	Y	87.8	Confident	78.5	Confident	60 Å²	60	53 Å²	53	24%	0.235	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	148.8	173.9	-73.3	-102	0	0	0	111.6	Q30 S77 T273 E274	Q30-Y33 HydrophobicContact CB-CD2 3.31Å; Q30-Y33 HydrophobicContact CB-CE2 3.77Å; Q30-Y33 HydrophobicContact CB-CG 3.96Å; Q30-Y33 HydrophobicContact CG-CD2 4.47Å; Q30-Y33 WeakPolarHBondContact O-CB 3.31Å; Q30-Y33 PolarHBondContact O-N 3.22Å; Y33-S77 PolarHBondContact O-N 2.77Å; Y33-T273 CarbonylContact C-O 3.55Å; Y33-T273 WeakPolarHBondContact CA-O 3.11Å; Y33-E274 HydrophobicContact CD1-CG 3.99Å; Y33-E274 HydrophobicContact CE1-CG 3.4Å; Y33-E274 HydrophobicContact CE2-CG 4.3Å; Y33-E274 PolarHBondContact OH-OE1 2.85Å
34	Q	89.4	Confident	80.9	Confident	39 Å²	39	47.8 Å²	47.8	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.4	166.3	66.2	179.7	-2.9	0	0	110.4	I75 I76 T273 Y275	Q34-I75 CarbonylContact C-O 3.6Å; Q34-I75 WeakPolarHBondContact CA-O 3.43Å; Q34-I76 HydrophobicContact CB-CG1 4.43Å; Q34-T273 WeakPolarHBondContact CG-O 3.41Å; Q34-T273 WeakPolarHBondContact CG-OG1 3.4Å; Q34-T273 PolarHBondContact N-O 3.11Å; Q34-T273 PolarHBondContact NE2-OG1 2.82Å; Q34-T273 PolarHBondContact O-N 2.88Å; Q34-Y275 HydrophobicContact CB-CD2 4.18Å; Q34-Y275 HydrophobicContact CB-CG 4.48Å
35	Y	91.4	Very high	82.6	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.4	-179.3	-61.9	-88.7	0	0	0	109.2	F29 Q30 I75 P234 L269 E272	F29-Y35 HydrophobicContact CB-CE2 3.91Å; F29-Y35 HydrophobicContact CD1-CD1 4.26Å; F29-Y35 AromaticContact CD1-CD2 3.54Å; F29-Y35 HydrophobicContact CD1-CD2 3.54Å; F29-Y35 HydrophobicContact CD1-CE1 4.31Å; F29-Y35 AromaticContact CD1-CE2 3.56Å; F29-Y35 HydrophobicContact CD1-CE2 3.56Å; F29-Y35 AromaticContact CD1-CG 3.91Å; F29-Y35 HydrophobicContact CD1-CG 3.91Å; F29-Y35 AromaticContact CD1-CZ 3.96Å; F29-Y35 HydrophobicContact CE1-CD2 4.21Å; F29-Y35 HydrophobicContact CE1-CG 4.18Å; F29-Y35 HydrophobicContact CG-CD2 4.48Å; F29-Y35 HydrophobicContact CG-CE2 4.22Å; Q30-Y35 PolarHBondContact N-OH 3.09Å; Y35-I75 PolarHBondContact N-O 3.34Å; Y35-I75 PolarHBondContact O-N 2.62Å; Y35-P234 HydrophobicContact CD1-CB 4.19Å; Y35-P234 HydrophobicContact CD1-CG 4.13Å; Y35-P234 HydrophobicContact CE1-CB 4.04Å; Y35-P234 HydrophobicContact CE1-CG 3.75Å; Y35-L269 HydrophobicContact CD1-CD1 4.14Å; Y35-E272 HydrophobicContact CD1-CB 4.35Å; Y35-E272 HydrophobicContact CD1-CG 3.77Å; Y35-E272 HydrophobicContact CE1-CB 4.27Å; Y35-E272 HydrophobicContact CE1-CG 3.83Å
36	M	93.8	Very high	83.9	Confident	42 Å²	42	45 Å²	45	21%	0.207	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.5	178.5	-69.7	-59.5	-65.6	0	0	110.1	L72 K74 T270 G271	M36-L72 HydrophobicContact CE-CB 3.96Å; M36-L72 HydrophobicContact CE-CD1 4.07Å; M36-K74 HydrophobicContact CE-CB 4.27Å; M36-K74 HydrophobicContact SD-CB 3.49Å; M36-K74 WeakPolarHBondContact SD-CB 3.46Å; M36-K74 HydrophobicContact SD-CD 4.16Å; M36-K74 HydrophobicContact SD-CG 3.66Å; M36-T270 WeakPolarHBondContact CB-OG1 3.32Å; M36-T270 PolarHBondContact O-N 2.79Å; M36-T270 PolarHBondContact O-OG1 2.79Å; M36-G271 PolarHBondContact N-O 2.83Å; M36-G271 PolarHBondContact O-N 3Å
37	Y	94.2	Very high	84.4	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.5	176.3	-72.9	-85.1	0	0	0	110.9	F29 L72 A73 I75 L143 I235 I267 N268 L269	F29-Y37 HydrophobicContact CE1-CE2 4.27Å; Y37-L72 CarbonylContact O-C 3.59Å; Y37-L72 VanDerWaalsContact O-CA 3.32Å; Y37-L72 WeakPolarHBondContact O-CA 3.39Å; Y37-A73 PolarHBondContact N-O 2.8Å; Y37-A73 PolarHBondContact O-N 2.81Å; Y37-I75 HydrophobicContact CD2-CD1 3.95Å; Y37-I75 HydrophobicContact CD2-CG1 4.44Å; Y37-I75 HydrophobicContact CE2-CD1 3.9Å; Y37-L143 HydrophobicContact CD1-CD2 4.44Å; Y37-L143 HydrophobicContact CE1-CD2 3.98Å; Y37-L143 HydrophobicContact CE2-CD1 4.49Å; Y37-I235 VanDerWaalsContact CE1-O 3.26Å; Y37-I235 WeakPolarHBondContact CE1-O 3.44Å; Y37-I235 PolarHBondContact OH-O 3.38Å; Y37-I267 HydrophobicContact CD1-CG2 3.69Å; Y37-I267 HydrophobicContact CG-CG2 4.05Å; Y37-N268 CarbonylContact C-O 3.53Å; Y37-N268 VanDerWaalsContact CA-O 3.29Å; Y37-N268 WeakPolarHBondContact CA-O 3Å; Y37-L269 HydrophobicContact CD1-CB 4.04Å; Y37-L269 HydrophobicContact CD1-CD1 4.16Å; Y37-L269 HydrophobicContact CD2-CD1 4.25Å; Y37-L269 HydrophobicContact CE1-CB 3.71Å; Y37-L269 HydrophobicContact CE1-CD1 3.8Å; Y37-L269 HydrophobicContact CE1-CG 4.29Å; Y37-L269 HydrophobicContact CE2-CD1 3.87Å; Y37-L269 HydrophobicContact CG-CD1 4.39Å
38	K	95.5	Very high	84.3	Confident	103 Å²	103	46.9 Å²	46.9	45%	0.448	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.7	164.8	-177.9	172.6	-176.4	173	0	108.6	L72 I267 N268 T270	K38-L72 HydrophobicContact CB-CD2 3.88Å; K38-L72 HydrophobicContact CG-CD2 4.16Å; K38-I267 WeakPolarHBondContact O-CA 3.45Å; K38-N268 PolarHBondContact N-O 2.96Å; K38-N268 PolarHBondContact O-N 3.44Å; K38-T270 HydrophobicContact CB-CG2 3.58Å
39	W	94.4	Very high	83.4	Confident	1 Å²	1	43 Å²	43	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.8	179.2	60.3	-90.9	0	0	0	111.3	I41 I69 E70 G71 L87 V90 I135 L139 Q266 I267	W39-I41 HydrophobicContact CE3-CD1 4.19Å; W39-I41 HydrophobicContact CE3-CG1 4.07Å; W39-I41 HydrophobicContact CZ3-CD1 4.14Å; W39-I41 HydrophobicContact CZ3-CG1 4.29Å; W39-I69 HydrophobicContact CH2-CD1 4.16Å; W39-I69 HydrophobicContact CH2-CG1 3.85Å; W39-I69 HydrophobicContact CZ3-CB 4.43Å; W39-I69 HydrophobicContact CZ3-CG1 3.97Å; W39-I69 HydrophobicContact CZ3-CG2 4.1Å; W39-E70 VanDerWaalsContact O-CA 3.3Å; W39-E70 WeakPolarHBondContact O-CA 3.36Å; W39-E70 WeakPolarHBondContact O-CB 3.35Å; W39-G71 PolarHBondContact N-O 2.74Å; W39-G71 VanDerWaalsContact NE1-C 3.27Å; W39-G71 PolarHBondContact NE1-O 3.46Å; W39-G71 PolarHBondContact O-N 3.22Å; W39-L87 HydrophobicContact CZ2-CD1 4.43Å; W39-L87 HydrophobicContact CZ2-CD2 4.38Å; W39-V90 HydrophobicContact CH2-CG1 4.05Å; W39-V90 HydrophobicContact CZ2-CG1 4.24Å; W39-V90 HydrophobicContact CZ2-CG2 4.02Å; W39-I135 HydrophobicContact CH2-CG2 4.26Å; W39-L139 HydrophobicContact CB-CD2 3.59Å; W39-L139 HydrophobicContact CD2-CD1 4.35Å; W39-L139 HydrophobicContact CD2-CD2 4.3Å; W39-L139 HydrophobicContact CG-CD1 4.24Å; W39-L139 HydrophobicContact CG-CD2 3.73Å; W39-Q266 CarbonylContact C-O 3.6Å; W39-Q266 WeakPolarHBondContact CA-O 3.24Å; W39-I267 HydrophobicContact CB-CG1 4.39Å
40	K	94.6	Very high	81.9	Confident	64 Å²	64	48.1 Å²	48.1	28%	0.278	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	131.9	178	179.3	173.1	-170.3	160.3	0	109.5	I42 I68 E70 M265 Q266	K40-I42 HydrophobicContact CG-CG1 4.33Å; K40-I68 HydrophobicContact CG-CG2 4.2Å; K40-E70 HydrophobicContact CB-CB 4.08Å; K40-E70 WeakPolarHBondContact CD-OE2 3.44Å; K40-E70 HydrophobicContact CG-CB 4.16Å; K40-E70 IonicContact NZ-OE2 3.78Å; K40-M265 WeakPolarHBondContact O-CA 3.32Å; K40-Q266 PolarHBondContact N-O 2.8Å; K40-Q266 PolarHBondContact O-N 2.77Å
41	I	92.3	Very high	79.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.1	178.7	-51.4	175.3	0	0	0	108.5	W39 H43 I68 I69 V263 N264 M265	W39-I41 HydrophobicContact CE3-CD1 4.19Å; W39-I41 HydrophobicContact CE3-CG1 4.07Å; W39-I41 HydrophobicContact CZ3-CD1 4.14Å; W39-I41 HydrophobicContact CZ3-CG1 4.29Å; I41-H43 WeakPolarHBondContact CG2-CE1 3.41Å; I41-I68 WeakPolarHBondContact O-CA 3.48Å; I41-I69 HydrophobicContact CB-CG2 3.91Å; I41-I69 HydrophobicContact CD1-CG2 4.37Å; I41-I69 HydrophobicContact CG1-CG2 4.47Å; I41-I69 PolarHBondContact N-O 2.99Å; I41-I69 PolarHBondContact O-N 2.68Å; I41-V263 HydrophobicContact CG2-CG1 3.92Å; I41-N264 CarbonylContact C-O 3.55Å; I41-N264 WeakPolarHBondContact CA-O 3.46Å; I41-M265 HydrophobicContact CD1-CE 4.09Å; I41-M265 HydrophobicContact CG1-CB 4.49Å; I41-M265 HydrophobicContact CG1-CE 4.3Å; I41-M265 HydrophobicContact CG1-CG 4.06Å; I41-M265 HydrophobicContact CG1-SD 4.5Å
42	I	91.4	Very high	77.9	Confident	30 Å²	30	50 Å²	50	15%	0.154	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.5	178.4	-54.4	173.1	0	0	0	107.4	K40 E44 I66 I68 V263 N264	K40-I42 HydrophobicContact CG-CG1 4.33Å; I42-E44 HydrophobicContact CG2-CG 3.96Å; I42-I66 HydrophobicContact CG2-CG2 3.78Å; I42-I68 HydrophobicContact CG1-CG1 4.31Å; I42-I68 HydrophobicContact CG1-CG2 4.25Å; I42-I68 HydrophobicContact CG2-CG1 4.28Å; I42-V263 CarbonylContact O-C 3.49Å; I42-V263 WeakPolarHBondContact O-CA 3.49Å; I42-N264 HydrophobicContact CB-CB 4.4Å; I42-N264 PolarHBondContact N-O 2.84Å; I42-N264 PolarHBondContact O-N 2.78Å
43	H	89.8	Confident	75.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.4	173.1	-56.3	80.3	0	0	0	108.4	I41 I66 Y67 S773 F775 L820 F828	I41-H43 WeakPolarHBondContact CG2-CE1 3.41Å; H43-I66 CarbonylContact O-C 3.51Å; H43-I66 VanDerWaalsContact O-CA 3.26Å; H43-I66 WeakPolarHBondContact O-CA 3.32Å; H43-Y67 PolarHBondContact N-O 2.72Å; H43-Y67 AromaticContact ND1-CD1 3.59Å; H43-Y67 PolarHBondContact O-N 3.42Å; H43-S773 VanDerWaalsContact NE2-CB 3.27Å; H43-S773 WeakPolarHBondContact NE2-CB 3.23Å; H43-S773 PolarHBondContact NE2-OG 2.78Å; H43-F775 AromaticContact CE1-CD2 3.89Å; H43-F775 AromaticContact NE2-CD2 3.79Å; H43-F775 AromaticContact NE2-CG 3.71Å; H43-L820 HydrophobicContact CB-CD2 3.83Å; H43-F828 HydrophobicContact CB-CE1 4.37Å; H43-F828 HydrophobicContact CB-CZ 4.09Å
44	E	86.5	Confident	73.2	Confident	66 Å²	66	59 Å²	59	31%	0.308	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.4	177.2	-57.3	-172.4	166.7	0	0	109.9	I42 Q65 I66 L261 N262	I42-E44 HydrophobicContact CG2-CG 3.96Å; E44-Q65 WeakPolarHBondContact CA-O 3.47Å; E44-I66 HydrophobicContact CG-CG1 4.19Å; E44-I66 HydrophobicContact CG-CG2 4.37Å; E44-L261 CarbonylContact O-C 3.58Å; E44-L261 WeakPolarHBondContact O-CA 3.19Å; E44-N262 HydrophobicContact CB-CB 4.39Å; E44-N262 PolarHBondContact N-O 3.44Å; E44-N262 PolarHBondContact O-N 2.92Å
45	L	80.7	Confident	70.7	Confident	15 Å²	15	66.7 Å²	66.7	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129	175.3	-176.4	77.7	0	0	0	110.4	Q65 L259 L261 F828	L45-Q65 HydrophobicContact CB-CB 4.49Å; L45-Q65 PolarHBondContact N-O 3.37Å; L45-Q65 PolarHBondContact O-N 2.56Å; L45-L259 HydrophobicContact CD1-CB 4.36Å; L45-L261 HydrophobicContact CB-CD1 4.03Å; L45-L261 HydrophobicContact CD1-CB 4.11Å; L45-L261 HydrophobicContact CD1-CD1 3.98Å; L45-F828 HydrophobicContact CB-CD2 4.15Å; L45-F828 HydrophobicContact CB-CE2 3.44Å; L45-F828 VanDerWaalsContact CB-CE2 3.44Å; L45-F828 HydrophobicContact CB-CZ 4.05Å; L45-F828 HydrophobicContact CD2-CD2 3.81Å; L45-F828 HydrophobicContact CD2-CE2 3.81Å; L45-F828 HydrophobicContact CG-CE2 4.16Å
46	Y	73.6	Confident	68	Low	76 Å²	76	73.4 Å²	73.4	30%	0.298	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	159.7	173.1	64.8	-79.9	0	0	0	112.2	T260	Y46-T260 WeakPolarHBondContact CD1-OG1 3.35Å; Y46-T260 WeakPolarHBondContact CD2-OG1 3.45Å; Y46-T260 WeakPolarHBondContact CE1-OG1 3.45Å; Y46-T260 HydrophobicContact CE2-CG2 4.35Å; Y46-T260 WeakPolarHBondContact CE2-OG1 3.27Å; Y46-T260 PolarHBondContact N-O 2.68Å; Y46-T260 VanDerWaalsContact N-O 3.11Å; Y46-T260 PolarHBondContact O-N 3.15Å; Y46-T260 PolarHBondContact O-OG1 3.24Å; Y46-T260 PolarHBondContact OH-OG1 2.88Å
47	N	66.8	Low	65.7	Low	46 Å²	46	78.1 Å²	78.1	25%	0.246	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.1	-178	-176.4	-3.1	0	0	0	110.1	Y49 L259	N47-Y49 PolarHBondContact O-N 2.68Å; N47-Y49 VanDerWaalsContact O-N 3.1Å; N47-Y49 PolarHBondContact OD1-N 2.74Å; N47-L259 HydrophobicContact CB-CD2 4.02Å
48	S	58	Low	62.9	Low	27 Å²	27	84.7 Å²	84.7	19%	0.189	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-67.4	-9.8	-173.1	58.3	0	0	0	0	115.8	R50 L51 T258	S48-R50 PolarHBondContact O-N 2.82Å; S48-L51 PolarHBondContact O-N 3.12Å; S48-L51 VanDerWaalsContact O-N 3.12Å; S48-T258 VanDerWaalsContact CB-OG1 3.25Å; S48-T258 WeakPolarHBondContact CB-OG1 3.33Å; S48-T258 PolarHBondContact N-O 3.42Å; S48-T258 VanDerWaalsContact N-O 3.12Å; S48-T258 PolarHBondContact OG-N 2.83Å; S48-T258 PolarHBondContact OG-O 2.93Å; S48-T258 PolarHBondContact OG-OG1 3.14Å
49	Y	49.3	Very low	60.2	Low	71 Å²	71	88.1 Å²	88.1	28%	0.278	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-54.5	-22.2	-178.4	-165.7	-102.8	0	0	0	114.5	N47 N257 Q926	N47-Y49 PolarHBondContact O-N 2.68Å; N47-Y49 VanDerWaalsContact O-N 3.1Å; N47-Y49 PolarHBondContact OD1-N 2.74Å; Y49-N257 WeakPolarHBondContact CD2-OD1 2.91Å; Y49-Q926 VanDerWaalsContact CZ-NE2 3.26Å; Y49-Q926 PolarHBondContact OH-NE2 2.76Å
50	R	45.8	Very low	57.5	Low	130 Å²	130	94.4 Å²	94.4	49%	0.491	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-91.8	-11.5	-179.6	-73.8	-169.7	-179.5	163.3	6.5	115.9	S48 T52 D63 I921	S48-R50 PolarHBondContact O-N 2.82Å; R50-T52 VanDerWaalsContact C-N 3.35Å; R50-T52 PolarHBondContact O-N 2.91Å; R50-D63 IonicContact CZ-OD2 2.69Å; R50-D63 IonicContact NH1-OD2 3.92Å; R50-D63 PolarHBondContact NH1-OD2 2.87Å; R50-D63 IonicContact NH2-OD2 2.75Å; R50-I921 PolarHBondContact NH2-O 3.03Å
51	L	39.5	Very low	54.9	Low	138 Å²	138	100.3 Å²	100.3	72%	0.723	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-21.8	-177.1	-77.2	164.7	0	0	0	113.7	S48	S48-L51 PolarHBondContact O-N 3.12Å; S48-L51 VanDerWaalsContact O-N 3.12Å
52	T	38.7	Very low	52.6	Low	114 Å²	114	106.7 Å²	106.7	70%	0.699	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-21.5	-167.7	51.3	0	0	0	0	115.3	R50	R50-T52 VanDerWaalsContact C-N 3.35Å; R50-T52 PolarHBondContact O-N 2.91Å
53	N	36.6	Very low	50.7	Low	135 Å²	135	108.2 Å²	108.2	72%	0.722	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-13.2	-176.3	-81	-3	0	0	0	115.2
54	E	35.1	Very low	49.4	Very low	140 Å²	140	110.7 Å²	110.7	65%	0.654	55%	0.55	S	S	*	.			trans	-112.1	79	176.3	-72.3	-178.4	173.7	0	0	110.8	I56	E54-I56 PolarHBondContact O-N 2.85Å
55	K	37.4	Very low	48.7	Very low	200 Å²	200	108.8 Å²	108.8	87%	0.87	54%	0.541	S	S	*	.			trans	-66.3	100.9	130.3	-81	-177.8	177.7	179.2	0	104.4
56	I	34.6	Very low	48.8	Very low	142 Å²	142	111.3 Å²	111.3	73%	0.728	55%	0.554	S	S	*	*			trans	178.7	116.6	152.1	-88.6	143.1	0	0	0	109.5	E54 N58	E54-I56 PolarHBondContact O-N 2.85Å; I56-N58 PolarHBondContact O-N 3.02Å
57	N	45.5	Very low	49.4	Very low	142 Å²	142	107.9 Å²	107.9	76%	0.759	54%	0.54	S	S	*	.			trans	2.5	103.8	141.1	-60	-18	0	0	0	116.1
58	N	33.9	Very low	50.4	Low	139 Å²	139	107.3 Å²	107.3	74%	0.743	54%	0.537	S	S	*	.				178.3	147.5	128.6	-88.6	-19.7	0	0	0	108.9	I56 N60	I56-N58 PolarHBondContact O-N 3.02Å; N58-N60 PolarHBondContact O-N 2.92Å
59	N	38.7	Very low	51.9	Low	174 Å²	174	106 Å²	106	93%	0.93	53%	0.528	S	S	*	.			trans	-65.6	44.9	179.4	-72.1	-19.7	0	0	0	113.8	K61	N59-K61 PolarHBondContact O-N 2.79Å
60	N	38.8	Very low	54	Low	133 Å²	133	104.5 Å²	104.5	71%	0.711	52%	0.523	S	S	*	.			trans	-74.6	114.5	172	-71.4	-6.7	0	0	0	107.4	N58 I62	N58-N60 PolarHBondContact O-N 2.92Å; N60-I62 PolarHBondContact O-N 3.31Å; N60-I62 VanDerWaalsContact O-N 3.14Å
61	K	39.3	Very low	56.2	Low	188 Å²	188	98.6 Å²	98.6	82%	0.817	50%	0.503	S	S	*	.			trans	-43.8	122.3	173.4	-78.7	177.8	173.9	-179.4	0	108.7	N59 D63	N59-K61 PolarHBondContact O-N 2.79Å; K61-D63 PolarHBondContact O-N 3.39Å; K61-D63 VanDerWaalsContact O-N 3.16Å
62	I	44.3	Very low	58.8	Low	134 Å²	134	94.1 Å²	94.1	69%	0.687	48%	0.48	S	S	*	.			trans	-58.8	118.9	166.6	-54.7	171.7	0	0	0	105.3	N60 N64	N60-I62 PolarHBondContact O-N 3.31Å; N60-I62 VanDerWaalsContact O-N 3.14Å; I62-N64 WeakPolarHBondContact CG2-OD1 3.44Å; I62-N64 PolarHBondContact O-N 3.4Å
63	D	52.3	Low	61.4	Low	63 Å²	63	88.8 Å²	88.8	34%	0.337	45%	0.447	S	S	.	.			trans	-69.3	74.4	179.6	-66.8	-50.6	0	0	0	110.1	R50 K61 I921	R50-D63 IonicContact CZ-OD2 2.69Å; R50-D63 IonicContact NH1-OD2 3.92Å; R50-D63 PolarHBondContact NH1-OD2 2.87Å; R50-D63 IonicContact NH2-OD2 2.75Å; K61-D63 PolarHBondContact O-N 3.39Å; K61-D63 VanDerWaalsContact O-N 3.16Å; D63-I921 WeakPolarHBondContact OD2-CG2 3.48Å
64	N	62.6	Low	64.1	Low	52 Å²	52	84.1 Å²	84.1	28%	0.278	42%	0.421	S	S	.	.			trans	-82.5	128.4	171.4	-68.1	-4.9	0	0	0	108.1	I62 I66	I62-N64 WeakPolarHBondContact CG2-OD1 3.44Å; I62-N64 PolarHBondContact O-N 3.4Å; N64-I66 HydrophobicContact CB-CD1 4.41Å; N64-I66 HydrophobicContact CB-CG1 4.09Å; N64-I66 PolarHBondContact O-N 3.07Å
65	Q	72.2	Confident	66.8	Low	25 Å²	25	77.5 Å²	77.5	12%	0.117	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	119.1	165.1	-71.1	-175.4	-30.9	0	0	108	E44 L45 I96 F828 M880	E44-Q65 WeakPolarHBondContact CA-O 3.47Å; L45-Q65 HydrophobicContact CB-CB 4.49Å; L45-Q65 PolarHBondContact N-O 3.37Å; L45-Q65 PolarHBondContact O-N 2.56Å; Q65-I96 HydrophobicContact CB-CD1 4.47Å; Q65-F828 HydrophobicContact CB-CD1 4.23Å; Q65-F828 HydrophobicContact CB-CD2 4.17Å; Q65-F828 HydrophobicContact CB-CE1 4.46Å; Q65-F828 HydrophobicContact CB-CE2 4.5Å; Q65-F828 HydrophobicContact CB-CG 4.09Å; Q65-F828 VanDerWaalsContact OE1-CD2 3.27Å; Q65-M880 PolarHBondContact NE2-O 3.5Å
66	I	82.3	Confident	69.2	Low	69 Å²	69	68.6 Å²	68.6	35%	0.354	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.3	-178.5	-50.3	-179	0	0	0	109.1	I42 H43 E44 N64 I68	I42-I66 HydrophobicContact CG2-CG2 3.78Å; H43-I66 CarbonylContact O-C 3.51Å; H43-I66 VanDerWaalsContact O-CA 3.26Å; H43-I66 WeakPolarHBondContact O-CA 3.32Å; E44-I66 HydrophobicContact CG-CG1 4.19Å; E44-I66 HydrophobicContact CG-CG2 4.37Å; N64-I66 HydrophobicContact CB-CD1 4.41Å; N64-I66 HydrophobicContact CB-CG1 4.09Å; N64-I66 PolarHBondContact O-N 3.07Å; I66-I68 HydrophobicContact CG2-CD1 4.16Å; I66-I68 HydrophobicContact CG2-CG1 3.85Å
67	Y	86	Confident	71.8	Confident	3 Å²	3	62 Å²	62	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.9	170.1	173	-98	0	0	0	109.4	H43 I69 E92 I96 T98 F775 I827 F828	H43-Y67 PolarHBondContact N-O 2.72Å; H43-Y67 AromaticContact ND1-CD1 3.59Å; H43-Y67 PolarHBondContact O-N 3.42Å; Y67-I69 HydrophobicContact CE1-CB 4.02Å; Y67-I69 HydrophobicContact CE1-CG2 4Å; Y67-E92 HydrophobicContact CE2-CG 4Å; Y67-E92 WeakPolarHBondContact OH-CG 3.39Å; Y67-E92 PolarHBondContact OH-OE1 2.83Å; Y67-I96 HydrophobicContact CD2-CB 4.42Å; Y67-I96 HydrophobicContact CD2-CG2 4.27Å; Y67-T98 HydrophobicContact CE2-CG2 4.29Å; Y67-F775 HydrophobicContact CD1-CE1 4.26Å; Y67-F775 AromaticContact CE1-CE1 3.48Å; Y67-F775 HydrophobicContact CE1-CE1 3.48Å; Y67-F775 VanDerWaalsContact CE1-CE1 3.48Å; Y67-F775 AromaticContact CE1-CZ 3.71Å; Y67-F775 HydrophobicContact CE1-CZ 3.71Å; Y67-I827 HydrophobicContact CD1-CD1 4.07Å; Y67-I827 HydrophobicContact CD1-CG2 4.3Å; Y67-I827 HydrophobicContact CD2-CG2 3.42Å; Y67-I827 VanDerWaalsContact CD2-CG2 3.42Å; Y67-I827 HydrophobicContact CE1-CD1 3.88Å; Y67-I827 HydrophobicContact CE2-CD1 4.34Å; Y67-I827 HydrophobicContact CE2-CG2 3.95Å; Y67-I827 HydrophobicContact CG-CD1 4.41Å; Y67-I827 HydrophobicContact CG-CG2 3.61Å; Y67-F828 VanDerWaalsContact CB-CE1 3.48Å
68	I	88.3	Confident	73.5	Confident	35 Å²	35	55.4 Å²	55.4	18%	0.179	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.3	-176.5	-49.5	178.4	0	0	0	108.3	K40 I41 I42 I66 E92 P93	K40-I68 HydrophobicContact CG-CG2 4.2Å; I41-I68 WeakPolarHBondContact O-CA 3.48Å; I42-I68 HydrophobicContact CG1-CG1 4.31Å; I42-I68 HydrophobicContact CG1-CG2 4.25Å; I42-I68 HydrophobicContact CG2-CG1 4.28Å; I66-I68 HydrophobicContact CG2-CD1 4.16Å; I66-I68 HydrophobicContact CG2-CG1 3.85Å; I68-E92 WeakPolarHBondContact O-CA 3.27Å; I68-P93 HydrophobicContact CB-CG 4.17Å; I68-P93 WeakPolarHBondContact CB-O 3.27Å; I68-P93 HydrophobicContact CG2-CG 3.76Å; I68-P93 WeakPolarHBondContact O-CD 3.37Å
69	I	89.3	Confident	75.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.6	170.3	-173.5	173.2	0	0	0	108.4	W39 I41 Y67 V90 E91 E92 I135 F775	W39-I69 HydrophobicContact CH2-CD1 4.16Å; W39-I69 HydrophobicContact CH2-CG1 3.85Å; W39-I69 HydrophobicContact CZ3-CB 4.43Å; W39-I69 HydrophobicContact CZ3-CG1 3.97Å; W39-I69 HydrophobicContact CZ3-CG2 4.1Å; I41-I69 HydrophobicContact CB-CG2 3.91Å; I41-I69 HydrophobicContact CD1-CG2 4.37Å; I41-I69 HydrophobicContact CG1-CG2 4.47Å; I41-I69 PolarHBondContact N-O 2.99Å; I41-I69 PolarHBondContact O-N 2.68Å; Y67-I69 HydrophobicContact CE1-CB 4.02Å; Y67-I69 HydrophobicContact CE1-CG2 4Å; I69-V90 HydrophobicContact CD1-CG1 3.98Å; I69-V90 HydrophobicContact CG1-CG1 4.14Å; I69-E91 WeakPolarHBondContact CA-O 3.15Å; I69-E92 HydrophobicContact CB-CG 4.48Å; I69-E92 HydrophobicContact CG1-CG 4.34Å; I69-I135 HydrophobicContact CD1-CD1 3.99Å; I69-F775 HydrophobicContact CD1-CZ 4.31Å; I69-F775 HydrophobicContact CG2-CE2 4.21Å; I69-F775 HydrophobicContact CG2-CZ 4.01Å
70	E	92.3	Very high	77.6	Confident	38 Å²	38	51.8 Å²	51.8	18%	0.178	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161	179.1	64.2	-177.9	-146	0	0	111.8	W39 K40 V90 E91 P93	W39-E70 VanDerWaalsContact O-CA 3.3Å; W39-E70 WeakPolarHBondContact O-CA 3.36Å; W39-E70 WeakPolarHBondContact O-CB 3.35Å; K40-E70 HydrophobicContact CB-CB 4.08Å; K40-E70 WeakPolarHBondContact CD-OE2 3.44Å; K40-E70 HydrophobicContact CG-CB 4.16Å; K40-E70 IonicContact NZ-OE2 3.78Å; E70-V90 WeakPolarHBondContact O-CA 3.36Å; E70-E91 PolarHBondContact N-O 2.87Å; E70-E91 PolarHBondContact O-N 2.84Å; E70-P93 HydrophobicContact CG-CG 3.83Å
71	G	92.9	Very high	79.5	Confident	7 Å²	7	47.6 Å²	47.6	7%	0.072	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-167.1	176.4	0	0	0	0	0	112.7	W39 H89	W39-G71 PolarHBondContact N-O 2.74Å; W39-G71 VanDerWaalsContact NE1-C 3.27Å; W39-G71 PolarHBondContact NE1-O 3.46Å; W39-G71 PolarHBondContact O-N 3.22Å; G71-H89 VanDerWaalsContact CA-O 3.27Å; G71-H89 WeakPolarHBondContact CA-O 3.24Å
72	L	94.5	Very high	81.7	Confident	44 Å²	44	40.4 Å²	40.4	23%	0.23	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.6	176	-58.1	179.1	0	0	0	110.1	M36 Y37 K38 L87 H88	M36-L72 HydrophobicContact CE-CB 3.96Å; M36-L72 HydrophobicContact CE-CD1 4.07Å; Y37-L72 CarbonylContact O-C 3.59Å; Y37-L72 VanDerWaalsContact O-CA 3.32Å; Y37-L72 WeakPolarHBondContact O-CA 3.39Å; K38-L72 HydrophobicContact CB-CD2 3.88Å; K38-L72 HydrophobicContact CG-CD2 4.16Å; L72-L87 CarbonylContact O-C 3.51Å; L72-L87 WeakPolarHBondContact O-CA 3.36Å; L72-H88 WeakPolarHBondContact CA-O 3.24Å; L72-H88 HydrophobicContact CB-CB 4.35Å; L72-H88 WeakPolarHBondContact CB-O 3.48Å; L72-H88 PolarHBondContact N-O 2.69Å; L72-H88 PolarHBondContact O-N 3.42Å
73	A	93.6	Very high	83.8	Confident	2 Å²	2	34.4 Å²	34.4	2%	0.017	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.3	171.4	0	0	0	0	0	108.6	Y37 S86 L87 L139	Y37-A73 PolarHBondContact N-O 2.8Å; Y37-A73 PolarHBondContact O-N 2.81Å; A73-S86 CarbonylContact C-O 3.6Å; A73-S86 WeakPolarHBondContact CA-O 3.25Å; A73-L87 HydrophobicContact CB-CD2 3.91Å; A73-L139 HydrophobicContact CB-CD1 4.2Å
74	K	92.7	Very high	85.5	Confident	37 Å²	37	32.3 Å²	32.3	16%	0.161	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.8	176.1	177.4	176.2	179.8	170.2	0	108.8	M36 I76 L85 S86	M36-K74 HydrophobicContact CE-CB 4.27Å; M36-K74 HydrophobicContact SD-CB 3.49Å; M36-K74 WeakPolarHBondContact SD-CB 3.46Å; M36-K74 HydrophobicContact SD-CD 4.16Å; M36-K74 HydrophobicContact SD-CG 3.66Å; K74-I76 HydrophobicContact CD-CD1 4.5Å; K74-I76 HydrophobicContact CG-CG1 4.22Å; K74-L85 WeakPolarHBondContact O-CA 3.46Å; K74-S86 PolarHBondContact N-O 2.93Å; K74-S86 PolarHBondContact O-N 3.38Å; K74-S86 PolarHBondContact O-OG 2.85Å
75	I	91.3	Very high	86.9	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.2	175.1	-63.4	176.5	0	0	0	109.3	Q34 Y35 Y37 R84 L85 F112 L143	Q34-I75 CarbonylContact C-O 3.6Å; Q34-I75 WeakPolarHBondContact CA-O 3.43Å; Y35-I75 PolarHBondContact N-O 3.34Å; Y35-I75 PolarHBondContact O-N 2.62Å; Y37-I75 HydrophobicContact CD2-CD1 3.95Å; Y37-I75 HydrophobicContact CD2-CG1 4.44Å; Y37-I75 HydrophobicContact CE2-CD1 3.9Å; I75-R84 CarbonylContact C-O 3.52Å; I75-R84 VanDerWaalsContact CA-O 3.23Å; I75-R84 WeakPolarHBondContact CA-O 3.34Å; I75-L85 HydrophobicContact CD1-CD1 4.16Å; I75-L85 HydrophobicContact CG1-CB 4.28Å; I75-L85 HydrophobicContact CG1-CD1 4.05Å; I75-L85 HydrophobicContact CG1-CG 4.12Å; I75-F112 HydrophobicContact CG2-CZ 3.95Å; I75-L143 HydrophobicContact CD1-CD1 3.53Å
76	I	88.8	Confident	87.8	Confident	12 Å²	12	29.5 Å²	29.5	6%	0.062	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.9	178.5	-53.2	170.5	0	0	0	107.8	Q34 K74 M83 R84 Y275 F279	Q34-I76 HydrophobicContact CB-CG1 4.43Å; K74-I76 HydrophobicContact CD-CD1 4.5Å; K74-I76 HydrophobicContact CG-CG1 4.22Å; I76-M83 WeakPolarHBondContact O-CA 3.25Å; I76-R84 HydrophobicContact CB-CB 4.42Å; I76-R84 PolarHBondContact N-O 3.47Å; I76-R84 PolarHBondContact O-N 3.26Å; I76-Y275 HydrophobicContact CD1-CD2 4.31Å; I76-Y275 HydrophobicContact CD1-CE1 4.27Å; I76-Y275 HydrophobicContact CD1-CE2 3.73Å; I76-Y275 HydrophobicContact CG1-CD2 4.45Å; I76-Y275 HydrophobicContact CG1-CE2 4.35Å; I76-Y275 HydrophobicContact CG2-CD1 3.43Å; I76-Y275 VanDerWaalsContact CG2-CD1 3.43Å; I76-Y275 HydrophobicContact CG2-CD2 4.22Å; I76-Y275 HydrophobicContact CG2-CE1 3.59Å; I76-Y275 HydrophobicContact CG2-CE2 4.4Å; I76-Y275 HydrophobicContact CG2-CG 3.75Å; I76-F279 HydrophobicContact CG2-CD1 4.5Å; I76-F279 HydrophobicContact CG2-CE1 3.63Å; I76-F279 HydrophobicContact CG2-CZ 3.71Å
77	S	87.5	Confident	88.3	Confident	5 Å²	5	26.2 Å²	26.2	4%	0.035	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	109.6	-178.4	-172.6	0	0	0	0	111.5	Q30 G32 Y33	Q30-S77 VanDerWaalsContact O-CB 3.24Å; Q30-S77 WeakPolarHBondContact O-CB 3.32Å; Q30-S77 PolarHBondContact O-OG 2.99Å; G32-S77 PolarHBondContact N-O 2.91Å; Y33-S77 PolarHBondContact O-N 2.77Å
78	G	82.7	Confident	88.5	Confident	3 Å²	3	29.3 Å²	29.3	3%	0.031	16%	0.161	C	C	.	.			trans	-98.1	170.3	176.6	0	0	0	0	0	114.1	D82	G78-D82 WeakPolarHBondContact CA-O 3.3Å; G78-D82 PolarHBondContact N-O 3.25Å
79	P	79.3	Confident	88.6	Confident	73 Å²	73	33.5 Å²	33.5	47%	0.474	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-66	159.4	173.7	28.2	-33.6	0	0	0	111.6	I31 C81 D82	I31-P79 HydrophobicContact CG2-CB 4.4Å; P79-C81 VanDerWaalsContact C-N 3.33Å; P79-C81 PolarHBondContact O-N 2.99Å; P79-D82 WeakPolarHBondContact O-CB 3.28Å; P79-D82 PolarHBondContact O-N 2.85Å
80	N	79.6	Confident	88.5	Confident	164 Å²	164	34 Å²	34	88%	0.877	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	57.3	36.7	176.1	-57.7	-23.1	0	0	0	115.2	D82	N80-D82 PolarHBondContact O-N 3.04Å
81	C	78	Confident	88.3	Confident	44 Å²	44	37.5 Å²	37.5	30%	0.297	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	62.2	23	-179	-149.3	0	0	0	0	114.3	P79 M83 C113 L114	P79-C81 VanDerWaalsContact C-N 3.33Å; P79-C81 PolarHBondContact O-N 2.99Å; C81-M83 PolarHBondContact O-N 2.85Å; C81-C113 HydrophobicContact CB-CB 3.88Å; C81-C113 WeakPolarHBondContact CB-SG 3.47Å; C81-C113 WeakPolarHBondContact O-CA 3.38Å; C81-C113 WeakPolarHBondContact O-CB 3.39Å; C81-C113 WeakPolarHBondContact SG-CA 3.44Å; C81-C113 WeakPolarHBondContact SG-CB 3.38Å; C81-C113 CovalentContact SG-SG 2.02Å; C81-C113 PolarHBondContact SG-SG 2.91Å; C81-L114 PolarHBondContact SG-N 3.28Å; C81-L114 PolarHBondContact SG-O 2.95Å
82	D	84.6	Confident	87.8	Confident	37 Å²	37	38 Å²	38	20%	0.198	20%	0.199	C	C	.	.			trans	-86.4	89.2	173.4	-162.9	-19.9	0	0	0	109.7	G78 P79 N80 R84 K111	G78-D82 WeakPolarHBondContact CA-O 3.3Å; G78-D82 PolarHBondContact N-O 3.25Å; P79-D82 WeakPolarHBondContact O-CB 3.28Å; P79-D82 PolarHBondContact O-N 2.85Å; N80-D82 PolarHBondContact O-N 3.04Å; D82-R84 IonicContact OD1-NE 3.55Å; D82-K111 VanDerWaalsContact CG-CE 3.47Å; D82-K111 VanDerWaalsContact CG-NZ 3.31Å; D82-K111 WeakPolarHBondContact OD1-CD 3.39Å; D82-K111 VanDerWaalsContact OD1-CE 3.26Å; D82-K111 WeakPolarHBondContact OD1-CE 3.42Å; D82-K111 IonicContact OD1-NZ 3.96Å; D82-K111 WeakPolarHBondContact OD2-CE 3.36Å; D82-K111 IonicContact OD2-NZ 3.71Å; D82-K111 PolarHBondContact OD2-NZ 3.12Å
83	M	88.4	Confident	86.8	Confident	9 Å²	9	38 Å²	38	4%	0.044	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.2	176.5	-67	-179.2	-78.4	0	0	111.3	F29 I76 C81 K111 F112 L114	F29-M83 HydrophobicContact CB-SD 4.46Å; F29-M83 HydrophobicContact CD2-SD 4Å; F29-M83 HydrophobicContact CG-SD 4.48Å; I76-M83 WeakPolarHBondContact O-CA 3.25Å; C81-M83 PolarHBondContact O-N 2.85Å; M83-K111 CarbonylContact O-C 3.53Å; M83-K111 WeakPolarHBondContact O-CA 3.32Å; M83-F112 HydrophobicContact CB-CD1 4.17Å; M83-F112 HydrophobicContact CB-CD2 4.12Å; M83-F112 HydrophobicContact CB-CE1 3.73Å; M83-F112 HydrophobicContact CB-CE2 3.69Å; M83-F112 HydrophobicContact CB-CG 4.35Å; M83-F112 HydrophobicContact CB-CZ 3.49Å; M83-F112 VanDerWaalsContact CB-CZ 3.49Å; M83-F112 WeakPolarHBondContact CB-O 3.13Å; M83-F112 HydrophobicContact CE-CD2 4.17Å; M83-F112 HydrophobicContact CE-CE2 3.84Å; M83-F112 HydrophobicContact CG-CE2 4.47Å; M83-F112 HydrophobicContact CG-CZ 4.49Å; M83-F112 PolarHBondContact N-O 3.5Å; M83-F112 WeakPolarHBondContact O-CD1 3.26Å; M83-F112 PolarHBondContact O-N 3.33Å; M83-F112 HydrophobicContact SD-CE2 4.02Å; M83-F112 HydrophobicContact SD-CZ 4.34Å; M83-L114 HydrophobicContact CE-CB 3.42Å; M83-L114 VanDerWaalsContact CE-CB 3.42Å; M83-L114 HydrophobicContact CE-CD1 4.22Å; M83-L114 HydrophobicContact CE-CG 3.91Å
84	R	89.2	Confident	85.6	Confident	18 Å²	18	40 Å²	40	7%	0.068	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.9	-176.6	-60.2	179.4	-177.6	-175.2	-4.2	111.7	I75 I76 D82 I110 F279 I280	I75-R84 CarbonylContact C-O 3.52Å; I75-R84 VanDerWaalsContact CA-O 3.23Å; I75-R84 WeakPolarHBondContact CA-O 3.34Å; I76-R84 HydrophobicContact CB-CB 4.42Å; I76-R84 PolarHBondContact N-O 3.47Å; I76-R84 PolarHBondContact O-N 3.26Å; D82-R84 IonicContact OD1-NE 3.55Å; R84-I110 VanDerWaalsContact CA-O 3.25Å; R84-I110 WeakPolarHBondContact CA-O 3.24Å; R84-F279 VanDerWaalsContact NH1-CA 3.31Å; R84-I280 PolarHBondContact NH1-O 2.65Å; R84-I280 PolarHBondContact NH2-O 3.29Å
85	L	91.9	Very high	84.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.6	175.3	-177.1	159.3	0	0	0	109.8	K74 I75 L87 P109 I110 F112 K136 L139 L140	K74-L85 WeakPolarHBondContact O-CA 3.46Å; I75-L85 HydrophobicContact CD1-CD1 4.16Å; I75-L85 HydrophobicContact CG1-CB 4.28Å; I75-L85 HydrophobicContact CG1-CD1 4.05Å; I75-L85 HydrophobicContact CG1-CG 4.12Å; L85-L87 HydrophobicContact CD2-CD2 3.94Å; L85-L87 HydrophobicContact CD2-CG 4.41Å; L85-P109 CarbonylContact O-C 3.48Å; L85-P109 WeakPolarHBondContact O-CA 3.33Å; L85-I110 HydrophobicContact CB-CD1 4.07Å; L85-I110 HydrophobicContact CB-CG1 3.77Å; L85-I110 HydrophobicContact CD2-CD1 4.33Å; L85-I110 HydrophobicContact CD2-CG1 4.27Å; L85-I110 PolarHBondContact N-O 3.42Å; L85-I110 WeakPolarHBondContact O-CG1 3.23Å; L85-I110 PolarHBondContact O-N 3.23Å; L85-F112 HydrophobicContact CB-CD1 4.28Å; L85-F112 HydrophobicContact CB-CE1 3.71Å; L85-K136 HydrophobicContact CD2-CB 3.78Å; L85-K136 HydrophobicContact CD2-CD 4.18Å; L85-K136 HydrophobicContact CD2-CG 3.59Å; L85-L139 HydrophobicContact CD1-CB 4.38Å; L85-L140 HydrophobicContact CD1-CD2 3.62Å; L85-L140 HydrophobicContact CD1-CG 3.97Å
86	S	91.4	Very high	82.9	Confident	19 Å²	19	47.3 Å²	47.3	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.1	175.7	48.8	0	0	0	0	110.2	A73 K74 H88	A73-S86 CarbonylContact C-O 3.6Å; A73-S86 WeakPolarHBondContact CA-O 3.25Å; K74-S86 PolarHBondContact N-O 2.93Å; K74-S86 PolarHBondContact O-N 3.38Å; K74-S86 PolarHBondContact O-OG 2.85Å; S86-H88 PolarHBondContact OG-CE1 2.87Å
87	L	92.3	Very high	81.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.2	178.3	-57.2	179.3	0	0	0	110	W39 L72 A73 L85 V90 H105 E106 I135 K136 L139	W39-L87 HydrophobicContact CZ2-CD1 4.43Å; W39-L87 HydrophobicContact CZ2-CD2 4.38Å; L72-L87 CarbonylContact O-C 3.51Å; L72-L87 WeakPolarHBondContact O-CA 3.36Å; A73-L87 HydrophobicContact CB-CD2 3.91Å; L85-L87 HydrophobicContact CD2-CD2 3.94Å; L85-L87 HydrophobicContact CD2-CG 4.41Å; L87-V90 HydrophobicContact CB-CG2 3.94Å; L87-H105 HydrophobicContact CD1-CB 4.33Å; L87-E106 WeakPolarHBondContact O-CA 3.48Å; L87-I135 HydrophobicContact CD1-CG2 4.14Å; L87-K136 HydrophobicContact CD1-CD 4.49Å; L87-K136 HydrophobicContact CD1-CG 3.7Å; L87-K136 HydrophobicContact CD2-CG 4.3Å; L87-K136 HydrophobicContact CG-CD 4.44Å; L87-K136 HydrophobicContact CG-CG 3.81Å; L87-L139 HydrophobicContact CD2-CD1 3.6Å
88	H	90.9	Very high	80.7	Confident	67 Å²	67	53 Å²	53	31%	0.31	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	150.6	179.2	-62.2	75.3	0	0	0	109.8	L72 S86 V90	L72-H88 WeakPolarHBondContact CA-O 3.24Å; L72-H88 HydrophobicContact CB-CB 4.35Å; L72-H88 WeakPolarHBondContact CB-O 3.48Å; L72-H88 PolarHBondContact N-O 2.69Å; L72-H88 PolarHBondContact O-N 3.42Å; S86-H88 PolarHBondContact OG-CE1 2.87Å; H88-V90 VanDerWaalsContact C-N 3.34Å; H88-V90 PolarHBondContact O-N 3.12Å
89	H	89.6	Confident	79.5	Confident	124 Å²	124	59.4 Å²	59.4	57%	0.574	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.9	49.2	179.7	-54.1	94.3	0	0	0	112.6	G71 E91 E106	G71-H89 VanDerWaalsContact CA-O 3.27Å; G71-H89 WeakPolarHBondContact CA-O 3.24Å; H89-E91 PolarHBondContact O-N 3.27Å; H89-E106 VanDerWaalsContact CA-OE1 3.31Å; H89-E106 WeakPolarHBondContact CA-OE1 3.19Å; H89-E106 PolarHBondContact N-OE1 2.73Å
90	V	87.7	Confident	78.6	Confident	9 Å²	9	57.2 Å²	57.2	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118.3	179.1	-175.4	0	0	0	0	110.1	W39 I69 E70 L87 H88 H105 E106	W39-V90 HydrophobicContact CH2-CG1 4.05Å; W39-V90 HydrophobicContact CZ2-CG1 4.24Å; W39-V90 HydrophobicContact CZ2-CG2 4.02Å; I69-V90 HydrophobicContact CD1-CG1 3.98Å; I69-V90 HydrophobicContact CG1-CG1 4.14Å; E70-V90 WeakPolarHBondContact O-CA 3.36Å; L87-V90 HydrophobicContact CB-CG2 3.94Å; H88-V90 VanDerWaalsContact C-N 3.34Å; H88-V90 PolarHBondContact O-N 3.12Å; V90-H105 HydrophobicContact CB-CB 4.3Å; V90-H105 HydrophobicContact CG1-CB 4.36Å; V90-H105 HydrophobicContact CG2-CB 3.9Å; V90-E106 HydrophobicContact CG2-CG 4.2Å; V90-E106 PolarHBondContact N-OE1 3.43Å
91	E	87.2	Confident	78.1	Confident	112 Å²	112	55.1 Å²	55.1	52%	0.523	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.2	-175.7	-64.4	-178.6	-174.7	0	0	111.5	I69 E70 H89 P93	I69-E91 WeakPolarHBondContact CA-O 3.15Å; E70-E91 PolarHBondContact N-O 2.87Å; E70-E91 PolarHBondContact O-N 2.84Å; H89-E91 PolarHBondContact O-N 3.27Å; E91-P93 VanDerWaalsContact O-CD 3.25Å; E91-P93 WeakPolarHBondContact O-CD 3.19Å
92	E	83.3	Confident	78	Confident	17 Å²	17	54.4 Å²	54.4	8%	0.079	30%	0.295	C	S	.	.			trans	-111.5	87.3	173.3	-74.6	176.3	-167.1	0	0	110.5	Y67 I68 I69 G94 Q97 T98 L102	Y67-E92 HydrophobicContact CE2-CG 4Å; Y67-E92 WeakPolarHBondContact OH-CG 3.39Å; Y67-E92 PolarHBondContact OH-OE1 2.83Å; I68-E92 WeakPolarHBondContact O-CA 3.27Å; I69-E92 HydrophobicContact CB-CG 4.48Å; I69-E92 HydrophobicContact CG1-CG 4.34Å; E92-G94 PolarHBondContact O-N 2.84Å; E92-Q97 WeakPolarHBondContact OE2-CA 3.45Å; E92-T98 WeakPolarHBondContact OE1-CG2 3.43Å; E92-T98 PolarHBondContact OE1-OG1 2.9Å; E92-T98 PolarHBondContact OE2-N 3.36Å; E92-T98 PolarHBondContact OE2-OG1 2.98Å; E92-L102 HydrophobicContact CB-CD1 4.19Å; E92-L102 HydrophobicContact CG-CD1 3.76Å; E92-L102 HydrophobicContact CG-CD2 4.27Å; E92-L102 WeakPolarHBondContact OE1-CD2 3.42Å
93	P	73.8	Confident	77.7	Confident	46 Å²	46	55 Å²	55	30%	0.299	30%	0.302	S	S	.	.			trans	-79	108.5	178.2	29.4	-33.8	0	0	0	111.4	I68 E70 E91	I68-P93 HydrophobicContact CB-CG 4.17Å; I68-P93 WeakPolarHBondContact CB-O 3.27Å; I68-P93 HydrophobicContact CG2-CG 3.76Å; I68-P93 WeakPolarHBondContact O-CD 3.37Å; E70-P93 HydrophobicContact CG-CG 3.83Å; E91-P93 VanDerWaalsContact O-CD 3.25Å; E91-P93 WeakPolarHBondContact O-CD 3.19Å
94	G	67	Low	77.3	Confident	42 Å²	42	55.2 Å²	55.2	43%	0.433	30%	0.302	S	S	.	.	S	Bend	trans	163.7	-177.2	173.4	0	0	0	0	0	114.9	E92 I96	E92-G94 PolarHBondContact O-N 2.84Å; G94-I96 VanDerWaalsContact C-N 3.3Å
95	E	65.1	Low	77	Confident	181 Å²	181	54.4 Å²	54.4	85%	0.846	30%	0.299	S	S	*	.	S	Bend	trans	-75.3	-18.4	176.2	-66.7	-177.1	179.4	0	0	113.4	K881	E95-K881 PolarHBondContact O-NZ 3.18Å
96	I	63.5	Low	76.8	Confident	11 Å²	11	58.2 Å²	58.2	6%	0.056	32%	0.317	C	S	.	.			trans	-105.8	100.3	177.7	-49.5	-177.4	0	0	0	107.1	Q65 Y67 G94 I827 F828 K881	Q65-I96 HydrophobicContact CB-CD1 4.47Å; Y67-I96 HydrophobicContact CD2-CB 4.42Å; Y67-I96 HydrophobicContact CD2-CG2 4.27Å; G94-I96 VanDerWaalsContact C-N 3.3Å; I96-I827 HydrophobicContact CG2-CG2 3.84Å; I96-F828 HydrophobicContact CD1-CB 4.44Å; I96-F828 HydrophobicContact CD1-CD1 3.86Å; I96-K881 HydrophobicContact CG1-CD 4.32Å; I96-K881 HydrophobicContact CG2-CG 4.45Å
97	Q	64.1	Low	76.4	Confident	121 Å²	121	63.6 Å²	63.6	57%	0.565	34%	0.338	S	S	*	.			trans	-107.1	135.6	171.8	-66.6	177.6	-10.5	0	0	108.9	E92 N882	E92-Q97 WeakPolarHBondContact OE2-CA 3.45Å; Q97-N882 PolarHBondContact O-ND2 2.83Å; Q97-N882 VanDerWaalsContact O-ND2 3.12Å
98	T	64.4	Low	76.1	Confident	15 Å²	15	67.3 Å²	67.3	9%	0.092	35%	0.352	C	S	.	.			trans	-67.7	138.2	163.8	67.4	0	0	0	0	107.6	Y67 E92 G100 H825 I827	Y67-T98 HydrophobicContact CE2-CG2 4.29Å; E92-T98 WeakPolarHBondContact OE1-CG2 3.43Å; E92-T98 PolarHBondContact OE1-OG1 2.9Å; E92-T98 PolarHBondContact OE2-N 3.36Å; E92-T98 PolarHBondContact OE2-OG1 2.98Å; T98-G100 PolarHBondContact O-N 3.34Å; T98-H825 HydrophobicContact CG2-CB 4.33Å; T98-I827 HydrophobicContact CG2-CG1 4.29Å
99	T	58.2	Low	75.9	Confident	139 Å²	139	65.6 Å²	65.6	85%	0.853	35%	0.347	S	S	*	.	S	Bend	trans	-70.8	8.3	-179.8	50.2	0	0	0	0	113.2
100	G	61.5	Low	75.8	Confident	26 Å²	26	59.7 Å²	59.7	27%	0.268	32%	0.32	S	S	.	.	S	Bend	trans	-96.2	154.7	-170.2	0	0	0	0	0	113.4	T98 L102	T98-G100 PolarHBondContact O-N 3.34Å; G100-L102 PolarHBondContact O-N 2.9Å
101	N	68.7	Low	75.8	Confident	121 Å²	121	61.7 Å²	61.7	65%	0.647	33%	0.328	S	S	*	.			trans	-77.3	109.7	171.3	179.1	-5.6	0	0	0	109.6	S103 Y104	N101-S103 PolarHBondContact ND2-OG 2.83Å; N101-S103 PolarHBondContact O-N 2.83Å; N101-S103 VanDerWaalsContact O-N 3.16Å; N101-S103 VanDerWaalsContact OD1-CB 3.26Å; N101-S103 WeakPolarHBondContact OD1-CB 3.26Å; N101-S103 PolarHBondContact OD1-N 3.04Å; N101-S103 VanDerWaalsContact OD1-N 3.12Å; N101-S103 PolarHBondContact OD1-OG 2.93Å; N101-Y104 WeakPolarHBondContact O-CD1 3.29Å; N101-Y104 WeakPolarHBondContact O-CE1 3.12Å
102	L	74.8	Confident	75.9	Confident	29 Å²	29	56.5 Å²	56.5	15%	0.152	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-67.1	-9.5	-177.5	-71.8	164.3	0	0	0	115.3	E92 G100 Y104 H105	E92-L102 HydrophobicContact CB-CD1 4.19Å; E92-L102 HydrophobicContact CG-CD1 3.76Å; E92-L102 HydrophobicContact CG-CD2 4.27Å; E92-L102 WeakPolarHBondContact OE1-CD2 3.42Å; G100-L102 PolarHBondContact O-N 2.9Å; L102-Y104 PolarHBondContact O-N 3.1Å; L102-H105 PolarHBondContact O-N 2.96Å; L102-H105 VanDerWaalsContact O-N 3.09Å
103	S	78.1	Confident	76	Confident	48 Å²	48	56.4 Å²	56.4	34%	0.336	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-58.9	-17.5	-177.3	59.7	0	0	0	0	114.7	N101 H105 E106	N101-S103 PolarHBondContact ND2-OG 2.83Å; N101-S103 PolarHBondContact O-N 2.83Å; N101-S103 VanDerWaalsContact O-N 3.16Å; N101-S103 VanDerWaalsContact OD1-CB 3.26Å; N101-S103 WeakPolarHBondContact OD1-CB 3.26Å; N101-S103 PolarHBondContact OD1-N 3.04Å; N101-S103 VanDerWaalsContact OD1-N 3.12Å; N101-S103 PolarHBondContact OD1-OG 2.93Å; S103-H105 PolarHBondContact O-N 3.44Å; S103-E106 PolarHBondContact O-N 3.16Å
104	Y	81	Confident	76.4	Confident	15 Å²	15	55.2 Å²	55.2	6%	0.059	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-64.1	-27.4	175.8	65.1	-101.3	0	0	0	112.9	N101 L102 E106 K107 E129 S131	N101-Y104 WeakPolarHBondContact O-CD1 3.29Å; N101-Y104 WeakPolarHBondContact O-CE1 3.12Å; L102-Y104 PolarHBondContact O-N 3.1Å; Y104-E106 PolarHBondContact O-N 3.28Å; Y104-K107 PolarHBondContact O-N 3.06Å; Y104-E129 HydrophobicContact CD2-CB 3.95Å; Y104-E129 HydrophobicContact CD2-CG 4.12Å; Y104-E129 WeakPolarHBondContact CD2-OE2 3.18Å; Y104-E129 HydrophobicContact CE2-CB 4.5Å; Y104-E129 WeakPolarHBondContact CE2-OE2 3.39Å; Y104-E129 VanDerWaalsContact CG-CD 3.49Å; Y104-E129 HydrophobicContact CG-CG 4.31Å; Y104-S131 VanDerWaalsContact CE2-OG 3.24Å; Y104-S131 WeakPolarHBondContact CE2-OG 3.44Å
105	H	83.3	Confident	76.9	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-62.7	-24.1	176.9	-77	-68.7	0	0	0	113.1	L87 V90 L102 S103 S132 I135 K136	L87-H105 HydrophobicContact CD1-CB 4.33Å; V90-H105 HydrophobicContact CB-CB 4.3Å; V90-H105 HydrophobicContact CG1-CB 4.36Å; V90-H105 HydrophobicContact CG2-CB 3.9Å; L102-H105 PolarHBondContact O-N 2.96Å; L102-H105 VanDerWaalsContact O-N 3.09Å; S103-H105 PolarHBondContact O-N 3.44Å; H105-S132 WeakPolarHBondContact ND1-CA 3.13Å; H105-I135 VanDerWaalsContact CE1-CD1 3.42Å; H105-I135 WeakPolarHBondContact CE1-CD1 3.45Å; H105-K136 WeakPolarHBondContact O-CE 3.47Å
106	E	86.2	Confident	77.3	Confident	80 Å²	80	50.5 Å²	50.5	37%	0.374	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-98.2	-8.4	-171.5	-52.2	-175.3	168.2	0	0	113.2	L87 H89 V90 S103 Y104	L87-E106 WeakPolarHBondContact O-CA 3.48Å; H89-E106 VanDerWaalsContact CA-OE1 3.31Å; H89-E106 WeakPolarHBondContact CA-OE1 3.19Å; H89-E106 PolarHBondContact N-OE1 2.73Å; V90-E106 HydrophobicContact CG2-CG 4.2Å; V90-E106 PolarHBondContact N-OE1 3.43Å; S103-E106 PolarHBondContact O-N 3.16Å; Y104-E106 PolarHBondContact O-N 3.28Å
107	K	83.1	Confident	77.9	Confident	131 Å²	131	50 Å²	50	57%	0.57	27%	0.269	S	S	*	.	S	Bend	trans	-70	-41.7	-168.9	-72.8	-179.7	-177.8	173.5	0	115	Y104	Y104-K107 PolarHBondContact O-N 3.06Å
108	Y	85.9	Confident	78.7	Confident	78 Å²	78	48.6 Å²	48.6	31%	0.306	26%	0.258	S	S	.	.			trans	-127.7	139.5	-172.5	-62	-72	0	0	0	111.4	Q127 D128 K136	Y108-Q127 HydrophobicContact CE2-CB 4Å; Y108-Q127 PolarHBondContact OH-OE1 3.17Å; Y108-Q127 VanDerWaalsContact OH-OE1 3.07Å; Y108-D128 HydrophobicContact CD2-CB 3.96Å; Y108-D128 HydrophobicContact CG-CB 4.37Å; Y108-K136 PolarHBondContact O-NZ 2.95Å
109	P	87.4	Confident	79.6	Confident	31 Å²	31	48.1 Å²	48.1	20%	0.201	26%	0.255	C	S	.	.			trans	-78.7	165	168.2	32.5	-33.4	0	0	0	111.3	L85 F282	L85-P109 CarbonylContact O-C 3.48Å; L85-P109 WeakPolarHBondContact O-CA 3.33Å; P109-F282 WeakPolarHBondContact O-CE2 3.41Å
110	I	88.4	Confident	80.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	152.6	164.8	56.5	160.8	0	0	0	110	R84 L85 F122 K136 L140	R84-I110 VanDerWaalsContact CA-O 3.25Å; R84-I110 WeakPolarHBondContact CA-O 3.24Å; L85-I110 HydrophobicContact CB-CD1 4.07Å; L85-I110 HydrophobicContact CB-CG1 3.77Å; L85-I110 HydrophobicContact CD2-CD1 4.33Å; L85-I110 HydrophobicContact CD2-CG1 4.27Å; L85-I110 PolarHBondContact N-O 3.42Å; L85-I110 WeakPolarHBondContact O-CG1 3.23Å; L85-I110 PolarHBondContact O-N 3.23Å; I110-F122 HydrophobicContact CB-CE2 4.33Å; I110-F122 HydrophobicContact CD1-CD2 4.04Å; I110-F122 HydrophobicContact CD1-CE2 3.31Å; I110-F122 HydrophobicContact CD1-CZ 4.09Å; I110-F122 HydrophobicContact CG1-CE2 4.42Å; I110-F122 HydrophobicContact CG2-CE2 4.43Å; I110-F122 HydrophobicContact CG2-CZ 4.2Å; I110-K136 HydrophobicContact CD1-CB 3.59Å; I110-K136 HydrophobicContact CD1-CD 4.5Å; I110-K136 HydrophobicContact CG1-CB 4.14Å; I110-K136 HydrophobicContact CG1-CD 4.14Å; I110-K136 HydrophobicContact CG2-CB 4.42Å; I110-K136 HydrophobicContact CG2-CD 3.72Å; I110-L140 HydrophobicContact CD1-CD1 3.49Å; I110-L140 VanDerWaalsContact CD1-CD1 3.49Å; I110-L140 HydrophobicContact CD1-CG 4.26Å
111	K	87.4	Confident	81.7	Confident	52 Å²	52	46.5 Å²	46.5	23%	0.226	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.4	175	170.9	170.3	172.4	161.7	0	109.8	D82 M83 F122 E123 F282	D82-K111 VanDerWaalsContact CG-CE 3.47Å; D82-K111 VanDerWaalsContact CG-NZ 3.31Å; D82-K111 WeakPolarHBondContact OD1-CD 3.39Å; D82-K111 VanDerWaalsContact OD1-CE 3.26Å; D82-K111 WeakPolarHBondContact OD1-CE 3.42Å; D82-K111 IonicContact OD1-NZ 3.96Å; D82-K111 WeakPolarHBondContact OD2-CE 3.36Å; D82-K111 IonicContact OD2-NZ 3.71Å; D82-K111 PolarHBondContact OD2-NZ 3.12Å; M83-K111 CarbonylContact O-C 3.53Å; M83-K111 WeakPolarHBondContact O-CA 3.32Å; K111-F122 CarbonylContact O-C 3.56Å; K111-E123 HydrophobicContact CB-CB 4.18Å; K111-E123 PolarHBondContact N-O 2.86Å; K111-E123 PolarHBondContact O-N 2.75Å; K111-F282 HydrophobicContact CB-CD2 4.31Å; K111-F282 HydrophobicContact CB-CE2 4.36Å; K111-F282 HydrophobicContact CB-CG 4.47Å
112	F	89	Confident	82.4	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	162.5	-178.3	68.7	-81.5	0	0	0	111.8	I75 M83 L85 L114 L119 S121 L140	I75-F112 HydrophobicContact CG2-CZ 3.95Å; M83-F112 HydrophobicContact CB-CD1 4.17Å; M83-F112 HydrophobicContact CB-CD2 4.12Å; M83-F112 HydrophobicContact CB-CE1 3.73Å; M83-F112 HydrophobicContact CB-CE2 3.69Å; M83-F112 HydrophobicContact CB-CG 4.35Å; M83-F112 HydrophobicContact CB-CZ 3.49Å; M83-F112 VanDerWaalsContact CB-CZ 3.49Å; M83-F112 WeakPolarHBondContact CB-O 3.13Å; M83-F112 HydrophobicContact CE-CD2 4.17Å; M83-F112 HydrophobicContact CE-CE2 3.84Å; M83-F112 HydrophobicContact CG-CE2 4.47Å; M83-F112 HydrophobicContact CG-CZ 4.49Å; M83-F112 PolarHBondContact N-O 3.5Å; M83-F112 WeakPolarHBondContact O-CD1 3.26Å; M83-F112 PolarHBondContact O-N 3.33Å; M83-F112 HydrophobicContact SD-CE2 4.02Å; M83-F112 HydrophobicContact SD-CZ 4.34Å; L85-F112 HydrophobicContact CB-CD1 4.28Å; L85-F112 HydrophobicContact CB-CE1 3.71Å; F112-L114 HydrophobicContact CD2-CD1 4.28Å; F112-L114 HydrophobicContact CD2-CG 3.97Å; F112-L114 HydrophobicContact CE2-CD1 3.64Å; F112-L114 HydrophobicContact CE2-CG 3.82Å; F112-L119 HydrophobicContact CB-CD1 4.15Å; F112-L119 HydrophobicContact CD2-CD1 4.17Å; F112-S121 VanDerWaalsContact CA-O 3.26Å; F112-S121 WeakPolarHBondContact CA-O 3.42Å; F112-S121 WeakPolarHBondContact CB-O 3.35Å; F112-L140 HydrophobicContact CB-CD1 3.83Å; F112-L140 HydrophobicContact CD1-CD1 3.87Å; F112-L140 HydrophobicContact CD1-CD2 3.89Å; F112-L140 HydrophobicContact CD2-CD1 4.1Å; F112-L140 HydrophobicContact CD2-CD2 3.73Å; F112-L140 HydrophobicContact CE1-CD1 4.49Å; F112-L140 HydrophobicContact CE1-CD2 3.69Å; F112-L140 HydrophobicContact CE2-CD2 3.51Å; F112-L140 HydrophobicContact CG-CD1 3.65Å; F112-L140 HydrophobicContact CG-CD2 3.91Å; F112-L140 HydrophobicContact CG-CG 4.46Å; F112-L140 HydrophobicContact CZ-CD2 3.49Å; F112-L140 VanDerWaalsContact CZ-CD2 3.49Å
113	C	85	Confident	82.8	Confident	15 Å²	15	42.6 Å²	42.6	10%	0.101	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.1	175.1	171	0	0	0	0	110.8	C81 L120 S121	C81-C113 HydrophobicContact CB-CB 3.88Å; C81-C113 WeakPolarHBondContact CB-SG 3.47Å; C81-C113 WeakPolarHBondContact O-CA 3.38Å; C81-C113 WeakPolarHBondContact O-CB 3.39Å; C81-C113 WeakPolarHBondContact SG-CA 3.44Å; C81-C113 WeakPolarHBondContact SG-CB 3.38Å; C81-C113 CovalentContact SG-SG 2.02Å; C81-C113 PolarHBondContact SG-SG 2.91Å; C113-L120 HydrophobicContact CB-CB 4.43Å; C113-L120 PolarHBondContact O-N 3.27Å; C113-S121 WeakPolarHBondContact CB-OG 3.39Å; C113-S121 PolarHBondContact N-O 2.91Å
114	L	82.7	Confident	83.1	Confident	21 Å²	21	42.4 Å²	42.4	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.3	170.2	-66.7	166	0	0	0	108	F29 C81 M83 F112 R118 L119	F29-L114 HydrophobicContact CD2-CD1 4.4Å; F29-L114 HydrophobicContact CE2-CD1 3.77Å; C81-L114 PolarHBondContact SG-N 3.28Å; C81-L114 PolarHBondContact SG-O 2.95Å; M83-L114 HydrophobicContact CE-CB 3.42Å; M83-L114 VanDerWaalsContact CE-CB 3.42Å; M83-L114 HydrophobicContact CE-CD1 4.22Å; M83-L114 HydrophobicContact CE-CG 3.91Å; F112-L114 HydrophobicContact CD2-CD1 4.28Å; F112-L114 HydrophobicContact CD2-CG 3.97Å; F112-L114 HydrophobicContact CE2-CD1 3.64Å; F112-L114 HydrophobicContact CE2-CG 3.82Å; L114-R118 CarbonylContact C-O 3.5Å; L114-R118 VanDerWaalsContact CA-O 3.27Å; L114-R118 WeakPolarHBondContact CA-O 3.42Å; L114-L119 HydrophobicContact CD2-CB 4.06Å; L114-L119 HydrophobicContact CD2-CD1 4.02Å
115	S	77.1	Confident	83.2	Confident	53 Å²	53	42.8 Å²	42.8	37%	0.371	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.4	173.3	180	0	0	0	0	109.3	G117 R118	S115-G117 PolarHBondContact O-N 3.32Å; S115-G117 VanDerWaalsContact O-N 3.13Å; S115-R118 PolarHBondContact N-O 3.21Å; S115-R118 WeakPolarHBondContact O-CB 3.33Å; S115-R118 PolarHBondContact O-N 3.19Å
116	N	73.9	Confident	82.8	Confident	71 Å²	71	46.8 Å²	46.8	38%	0.38	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	39.8	-174.5	-65.6	-13	0	0	0	112.8	R118	N116-R118 PolarHBondContact O-N 3.45Å
117	G	76.5	Confident	82.5	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.021	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	4.5	-178	0	0	0	0	0	115.9	T27 S115 Q144 M145	T27-G117 WeakPolarHBondContact OG1-CA 3.43Å; S115-G117 PolarHBondContact O-N 3.32Å; S115-G117 VanDerWaalsContact O-N 3.13Å; G117-Q144 WeakPolarHBondContact O-CA 3.34Å; G117-Q144 WeakPolarHBondContact O-CG 3.38Å; G117-M145 CarbonylContact C-O 3.54Å; G117-M145 WeakPolarHBondContact CA-O 3.26Å; G117-M145 PolarHBondContact O-N 3.38Å
118	R	81.2	Confident	82.4	Confident	91 Å²	91	43.9 Å²	43.9	34%	0.343	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.8	174.2	-69.4	-177	173.2	172.2	0.9	112	L114 S115 N116 L120 S146	L114-R118 CarbonylContact C-O 3.5Å; L114-R118 VanDerWaalsContact CA-O 3.27Å; L114-R118 WeakPolarHBondContact CA-O 3.42Å; S115-R118 PolarHBondContact N-O 3.21Å; S115-R118 WeakPolarHBondContact O-CB 3.33Å; S115-R118 PolarHBondContact O-N 3.19Å; N116-R118 PolarHBondContact O-N 3.45Å; R118-L120 PolarHBondContact O-N 3.37Å; R118-S146 WeakPolarHBondContact CG-OG 3.41Å; R118-S146 PolarHBondContact NE-OG 3.35Å
119	L	83.4	Confident	82.2	Confident	5 Å²	5	44 Å²	44	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.2	174.9	-170.9	71.3	0	0	0	110.4	F112 L114 L140 F141 F290	F112-L119 HydrophobicContact CB-CD1 4.15Å; F112-L119 HydrophobicContact CD2-CD1 4.17Å; L114-L119 HydrophobicContact CD2-CB 4.06Å; L114-L119 HydrophobicContact CD2-CD1 4.02Å; L119-L140 HydrophobicContact CD1-CD1 4.46Å; L119-F141 HydrophobicContact CD2-CD1 3.98Å; L119-F141 HydrophobicContact CD2-CE1 3.6Å; L119-F141 HydrophobicContact CD2-CZ 4.46Å; L119-F290 HydrophobicContact CD2-CE1 4.29Å
120	L	80.6	Confident	81.9	Confident	96 Å²	96	45.2 Å²	45.2	50%	0.503	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-41	179.3	-69.4	-175.8	0	0	0	112.8	C113 R118	C113-L120 HydrophobicContact CB-CB 4.43Å; C113-L120 PolarHBondContact O-N 3.27Å; R118-L120 PolarHBondContact O-N 3.37Å
121	S	82	Confident	81.6	Confident	34 Å²	34	45.4 Å²	45.4	24%	0.238	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.4	-178.8	67.2	0	0	0	0	111.9	F112 C113	F112-S121 VanDerWaalsContact CA-O 3.26Å; F112-S121 WeakPolarHBondContact CA-O 3.42Å; F112-S121 WeakPolarHBondContact CB-O 3.35Å; C113-S121 WeakPolarHBondContact CB-OG 3.39Å; C113-S121 PolarHBondContact N-O 2.91Å
122	F	83.2	Confident	81.5	Confident	10 Å²	10	43 Å²	43	4%	0.044	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	130.3	-179.6	175.5	-89.7	0	0	0	108.9	I110 K111 Y124 V133 K137 L140	I110-F122 HydrophobicContact CB-CE2 4.33Å; I110-F122 HydrophobicContact CD1-CD2 4.04Å; I110-F122 HydrophobicContact CD1-CE2 3.31Å; I110-F122 HydrophobicContact CD1-CZ 4.09Å; I110-F122 HydrophobicContact CG1-CE2 4.42Å; I110-F122 HydrophobicContact CG2-CE2 4.43Å; I110-F122 HydrophobicContact CG2-CZ 4.2Å; K111-F122 CarbonylContact O-C 3.56Å; F122-Y124 HydrophobicContact CD1-CD1 4.04Å; F122-Y124 AromaticContact CE1-CD1 3.5Å; F122-Y124 HydrophobicContact CE1-CD1 3.5Å; F122-Y124 VanDerWaalsContact CE1-CD1 3.5Å; F122-Y124 HydrophobicContact CE1-CE1 4.26Å; F122-Y124 HydrophobicContact CE1-CG 4.16Å; F122-V133 HydrophobicContact CE1-CG1 3.81Å; F122-V133 HydrophobicContact CZ-CG1 3.69Å; F122-K137 HydrophobicContact CD2-CG 4.37Å; F122-K137 HydrophobicContact CE1-CD 4.33Å; F122-K137 HydrophobicContact CE2-CB 3.87Å; F122-K137 HydrophobicContact CE2-CG 3.97Å; F122-K137 HydrophobicContact CZ-CB 3.93Å; F122-K137 HydrophobicContact CZ-CD 4.27Å; F122-K137 HydrophobicContact CZ-CG 4.15Å; F122-L140 HydrophobicContact CD2-CD1 3.76Å; F122-L140 HydrophobicContact CE2-CD1 3.93Å
123	E	83.6	Confident	81.4	Confident	59 Å²	59	43.2 Å²	43.2	28%	0.276	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.2	-178.1	-67.2	174.3	-167.3	0	0	109.2	K111 F282	K111-E123 HydrophobicContact CB-CB 4.18Å; K111-E123 PolarHBondContact N-O 2.86Å; K111-E123 PolarHBondContact O-N 2.75Å; E123-F282 HydrophobicContact CB-CE1 4.3Å
124	Y	85.2	Confident	81.5	Confident	43 Å²	43	43.1 Å²	43.1	17%	0.169	23%	0.225	C	C	.	.			trans	-141.1	157.2	-178.1	65.8	-82.1	0	0	0	110.5	F122 V133 S286	F122-Y124 HydrophobicContact CD1-CD1 4.04Å; F122-Y124 AromaticContact CE1-CD1 3.5Å; F122-Y124 HydrophobicContact CE1-CD1 3.5Å; F122-Y124 VanDerWaalsContact CE1-CD1 3.5Å; F122-Y124 HydrophobicContact CE1-CE1 4.26Å; F122-Y124 HydrophobicContact CE1-CG 4.16Å; Y124-V133 HydrophobicContact CD1-CG1 4.03Å; Y124-V133 HydrophobicContact CD2-CB 4.44Å; Y124-V133 HydrophobicContact CD2-CG1 3.93Å; Y124-V133 HydrophobicContact CD2-CG2 3.66Å; Y124-V133 HydrophobicContact CE1-CG1 4.49Å; Y124-V133 HydrophobicContact CE2-CG1 4.42Å; Y124-V133 HydrophobicContact CE2-CG2 4.39Å; Y124-V133 HydrophobicContact CG-CG1 3.71Å; Y124-V133 HydrophobicContact CG-CG2 4.05Å; Y124-S286 PolarHBondContact N-OG 2.76Å; Y124-S286 PolarHBondContact O-OG 3.02Å
125	S	82.3	Confident	81.7	Confident	23 Å²	23	42.1 Å²	42.1	16%	0.161	22%	0.22	C	C	.	.			trans	-75.6	134.6	175.6	176.9	0	0	0	0	110.3	Q127 D128	S125-Q127 PolarHBondContact O-N 3.22Å; S125-Q127 VanDerWaalsContact O-N 3.12Å; S125-Q127 PolarHBondContact OG-N 2.88Å; S125-D128 WeakPolarHBondContact O-CB 3.42Å; S125-D128 PolarHBondContact O-N 2.98Å
126	S	75.9	Confident	82.4	Confident	86 Å²	86	39.6 Å²	39.6	60%	0.601	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.6	171.8	54.9	0	0	0	0	113.9	T285	S126-T285 PolarHBondContact OG-OG1 3.43Å
127	Q	78.5	Confident	83.1	Confident	138 Å²	138	36.6 Å²	36.6	65%	0.645	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.7	174.7	-59.3	179.6	-0.7	0	0	113.5	Y108 S125	Y108-Q127 HydrophobicContact CE2-CB 4Å; Y108-Q127 PolarHBondContact OH-OE1 3.17Å; Y108-Q127 VanDerWaalsContact OH-OE1 3.07Å; S125-Q127 PolarHBondContact O-N 3.22Å; S125-Q127 VanDerWaalsContact O-N 3.12Å; S125-Q127 PolarHBondContact OG-N 2.88Å
128	D	81.2	Confident	83.7	Confident	11 Å²	11	36.6 Å²	36.6	6%	0.059	19%	0.186	C	C	.	.	S	Bend	trans	-74.9	143.3	176.4	-162.6	6.1	0	0	0	110.1	Y108 S125 S132 V133 K136	Y108-D128 HydrophobicContact CD2-CB 3.96Å; Y108-D128 HydrophobicContact CG-CB 4.37Å; S125-D128 WeakPolarHBondContact O-CB 3.42Å; S125-D128 PolarHBondContact O-N 2.98Å; D128-S132 VanDerWaalsContact OD1-CB 3.24Å; D128-S132 WeakPolarHBondContact OD1-CB 2.91Å; D128-S132 PolarHBondContact OD1-OG 3.47Å; D128-S132 PolarHBondContact OD2-OG 3.47Å; D128-V133 HydrophobicContact CB-CG2 3.79Å; D128-K136 IonicContact OD1-NZ 2.74Å; D128-K136 IonicContact OD2-NZ 3.98Å; D128-K136 PolarHBondContact OD2-NZ 2.92Å
129	E	82.5	Confident	84.2	Confident	82 Å²	82	32.3 Å²	32.3	38%	0.383	17%	0.17	S	C	.	.			trans	-68.6	139.3	177.6	-74	-165.1	-170.9	0	0	110.4	Y104 S131 S132 V133	Y104-E129 HydrophobicContact CD2-CB 3.95Å; Y104-E129 HydrophobicContact CD2-CG 4.12Å; Y104-E129 WeakPolarHBondContact CD2-OE2 3.18Å; Y104-E129 HydrophobicContact CE2-CB 4.5Å; Y104-E129 WeakPolarHBondContact CE2-OE2 3.39Å; Y104-E129 VanDerWaalsContact CG-CD 3.49Å; Y104-E129 HydrophobicContact CG-CG 4.31Å; E129-S131 PolarHBondContact O-N 3.45Å; E129-S131 PolarHBondContact OE2-OG 3.16Å; E129-S132 WeakPolarHBondContact O-CA 3.09Å; E129-S132 VanDerWaalsContact O-CB 3.27Å; E129-S132 WeakPolarHBondContact O-CB 3.42Å; E129-S132 PolarHBondContact O-N 3.01Å; E129-V133 PolarHBondContact O-N 2.93Å
130	I	81	Confident	84.5	Confident	56 Å²	56	32.1 Å²	32.1	29%	0.287	17%	0.169	S	C	.	.	H	α-helix	trans	-57.6	-36.5	-178.4	-61.4	172	0	0	0	111.4	S132 V133 R134 P293	I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 3.35Å; I130-V133 PolarHBondContact O-N 3.46Å; I130-R134 HydrophobicContact CG2-CG 4.27Å; I130-R134 WeakPolarHBondContact O-CB 3.33Å; I130-R134 WeakPolarHBondContact O-CG 3.35Å; I130-R134 PolarHBondContact O-N 2.97Å; I130-P293 HydrophobicContact CD1-CB 4.43Å; I130-P293 HydrophobicContact CD1-CG 4.18Å; I130-P293 HydrophobicContact CG1-CG 4.06Å; I130-P293 HydrophobicContact CG2-CG 4.19Å
131	S	81.6	Confident	84.9	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.028	15%	0.145	C	C	.	.	H	α-helix	trans	-57	-44.9	173	43.1	0	0	0	0	112.3	Y104 E129 R134 I135	Y104-S131 VanDerWaalsContact CE2-OG 3.24Å; Y104-S131 WeakPolarHBondContact CE2-OG 3.44Å; E129-S131 PolarHBondContact O-N 3.45Å; E129-S131 PolarHBondContact OE2-OG 3.16Å; S131-R134 PolarHBondContact O-N 3.15Å; S131-I135 WeakPolarHBondContact O-CG1 3.49Å; S131-I135 PolarHBondContact O-N 3.42Å
132	S	86	Confident	85.3	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-48.5	178.9	166.1	0	0	0	0	111.7	H105 D128 E129 I130 R134 I135 K136	H105-S132 WeakPolarHBondContact ND1-CA 3.13Å; D128-S132 VanDerWaalsContact OD1-CB 3.24Å; D128-S132 WeakPolarHBondContact OD1-CB 2.91Å; D128-S132 PolarHBondContact OD1-OG 3.47Å; D128-S132 PolarHBondContact OD2-OG 3.47Å; E129-S132 WeakPolarHBondContact O-CA 3.09Å; E129-S132 VanDerWaalsContact O-CB 3.27Å; E129-S132 WeakPolarHBondContact O-CB 3.42Å; E129-S132 PolarHBondContact O-N 3.01Å; I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 3.35Å; S132-R134 VanDerWaalsContact C-N 3.3Å; S132-R134 PolarHBondContact O-N 3.28Å; S132-I135 PolarHBondContact O-N 3.2Å; S132-K136 VanDerWaalsContact O-CG 3.27Å; S132-K136 WeakPolarHBondContact O-CG 3.28Å; S132-K136 PolarHBondContact O-N 3.43Å; S132-K136 VanDerWaalsContact O-N 3.16Å; S132-K136 WeakPolarHBondContact OG-CE 3.43Å; S132-K136 PolarHBondContact OG-NZ 2.99Å
133	V	86.2	Confident	85.6	Confident	7 Å²	7	25.8 Å²	25.8	4%	0.042	13%	0.133	C	C	.	.	H	α-helix	trans	-58.5	-41.9	175.9	179.7	0	0	0	0	111.4	F122 Y124 D128 E129 I130 K136 K137	F122-V133 HydrophobicContact CE1-CG1 3.81Å; F122-V133 HydrophobicContact CZ-CG1 3.69Å; Y124-V133 HydrophobicContact CD1-CG1 4.03Å; Y124-V133 HydrophobicContact CD2-CB 4.44Å; Y124-V133 HydrophobicContact CD2-CG1 3.93Å; Y124-V133 HydrophobicContact CD2-CG2 3.66Å; Y124-V133 HydrophobicContact CE1-CG1 4.49Å; Y124-V133 HydrophobicContact CE2-CG1 4.42Å; Y124-V133 HydrophobicContact CE2-CG2 4.39Å; Y124-V133 HydrophobicContact CG-CG1 3.71Å; Y124-V133 HydrophobicContact CG-CG2 4.05Å; D128-V133 HydrophobicContact CB-CG2 3.79Å; E129-V133 PolarHBondContact O-N 2.93Å; I130-V133 PolarHBondContact O-N 3.46Å; V133-K136 PolarHBondContact O-N 3.35Å; V133-K137 WeakPolarHBondContact O-CB 3.45Å; V133-K137 PolarHBondContact O-N 3.41Å
134	R	86.3	Confident	85.7	Confident	13 Å²	13	23.1 Å²	23.1	5%	0.049	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-45	-178.9	-75.4	179.8	-177.5	-167.8	2.4	113.3	I130 S131 S132 K137 A138 F292 G774 Y776	I130-R134 HydrophobicContact CG2-CG 4.27Å; I130-R134 WeakPolarHBondContact O-CB 3.33Å; I130-R134 WeakPolarHBondContact O-CG 3.35Å; I130-R134 PolarHBondContact O-N 2.97Å; S131-R134 PolarHBondContact O-N 3.15Å; S132-R134 VanDerWaalsContact C-N 3.3Å; S132-R134 PolarHBondContact O-N 3.28Å; R134-K137 PolarHBondContact O-N 3.49Å; R134-A138 WeakPolarHBondContact O-CB 3.38Å; R134-A138 PolarHBondContact O-N 3.28Å; R134-F292 HydrophobicContact CB-CE1 4.43Å; R134-F292 HydrophobicContact CG-CD1 3.65Å; R134-F292 HydrophobicContact CG-CE1 3.69Å; R134-G774 WeakPolarHBondContact CB-O 3.43Å; R134-G774 WeakPolarHBondContact CD-O 3.4Å; R134-Y776 VanDerWaalsContact NH1-CE1 3.26Å
135	I	88.7	Confident	85.6	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-64.6	-42.8	177.4	-66.3	-178	0	0	0	110.8	W39 I69 L87 H105 S131 S132 K137 A138 L139 F775	W39-I135 HydrophobicContact CH2-CG2 4.26Å; I69-I135 HydrophobicContact CD1-CD1 3.99Å; L87-I135 HydrophobicContact CD1-CG2 4.14Å; H105-I135 VanDerWaalsContact CE1-CD1 3.42Å; H105-I135 WeakPolarHBondContact CE1-CD1 3.45Å; S131-I135 WeakPolarHBondContact O-CG1 3.49Å; S131-I135 PolarHBondContact O-N 3.42Å; S132-I135 PolarHBondContact O-N 3.2Å; I135-K137 VanDerWaalsContact C-N 3.32Å; I135-K137 PolarHBondContact O-N 3.27Å; I135-A138 WeakPolarHBondContact O-CB 3.4Å; I135-A138 PolarHBondContact O-N 2.88Å; I135-L139 HydrophobicContact CG2-CD1 4.17Å; I135-L139 WeakPolarHBondContact O-CG 3.36Å; I135-L139 PolarHBondContact O-N 3.39Å; I135-F775 HydrophobicContact CD1-CE2 3.72Å; I135-F775 HydrophobicContact CD1-CZ 4.12Å; I135-F775 HydrophobicContact CG1-CE2 3.95Å
136	K	91.3	Very high	85.3	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.8	-42.6	176.9	-67.4	173.3	-163.7	163.2	0	111.6	L85 L87 H105 Y108 I110 D128 S132 V133 L139 L140	L85-K136 HydrophobicContact CD2-CB 3.78Å; L85-K136 HydrophobicContact CD2-CD 4.18Å; L85-K136 HydrophobicContact CD2-CG 3.59Å; L87-K136 HydrophobicContact CD1-CD 4.49Å; L87-K136 HydrophobicContact CD1-CG 3.7Å; L87-K136 HydrophobicContact CD2-CG 4.3Å; L87-K136 HydrophobicContact CG-CD 4.44Å; L87-K136 HydrophobicContact CG-CG 3.81Å; H105-K136 WeakPolarHBondContact O-CE 3.47Å; Y108-K136 PolarHBondContact O-NZ 2.95Å; I110-K136 HydrophobicContact CD1-CB 3.59Å; I110-K136 HydrophobicContact CD1-CD 4.5Å; I110-K136 HydrophobicContact CG1-CB 4.14Å; I110-K136 HydrophobicContact CG1-CD 4.14Å; I110-K136 HydrophobicContact CG2-CB 4.42Å; I110-K136 HydrophobicContact CG2-CD 3.72Å; D128-K136 IonicContact OD1-NZ 2.74Å; D128-K136 IonicContact OD2-NZ 3.98Å; D128-K136 PolarHBondContact OD2-NZ 2.92Å; S132-K136 VanDerWaalsContact O-CG 3.27Å; S132-K136 WeakPolarHBondContact O-CG 3.28Å; S132-K136 PolarHBondContact O-N 3.43Å; S132-K136 VanDerWaalsContact O-N 3.16Å; S132-K136 WeakPolarHBondContact OG-CE 3.43Å; S132-K136 PolarHBondContact OG-NZ 2.99Å; V133-K136 PolarHBondContact O-N 3.35Å; K136-L139 PolarHBondContact O-N 3.12Å; K136-L140 WeakPolarHBondContact O-CG 3.2Å; K136-L140 PolarHBondContact O-N 2.67Å; K136-L140 VanDerWaalsContact O-N 3.15Å
137	K	87.8	Confident	84.9	Confident	8 Å²	8	17.7 Å²	17.7	4%	0.035	9%	0.089	C	C	.	.	H	α-helix	trans	-65.5	-41.2	176.3	-164.5	178	175.9	178.6	0	112.2	F122 V133 R134 I135 L139 L140 F141 F290 F292	F122-K137 HydrophobicContact CD2-CG 4.37Å; F122-K137 HydrophobicContact CE1-CD 4.33Å; F122-K137 HydrophobicContact CE2-CB 3.87Å; F122-K137 HydrophobicContact CE2-CG 3.97Å; F122-K137 HydrophobicContact CZ-CB 3.93Å; F122-K137 HydrophobicContact CZ-CD 4.27Å; F122-K137 HydrophobicContact CZ-CG 4.15Å; V133-K137 WeakPolarHBondContact O-CB 3.45Å; V133-K137 PolarHBondContact O-N 3.41Å; R134-K137 PolarHBondContact O-N 3.49Å; I135-K137 VanDerWaalsContact C-N 3.32Å; I135-K137 PolarHBondContact O-N 3.27Å; K137-L139 PolarHBondContact O-N 2.83Å; K137-L140 WeakPolarHBondContact O-CB 3.22Å; K137-L140 PolarHBondContact O-N 2.99Å; K137-F141 HydrophobicContact CD-CE2 3.97Å; K137-F141 HydrophobicContact CD-CZ 4.19Å; K137-F141 VanDerWaalsContact CE-CZ 3.43Å; K137-F141 HydrophobicContact CG-CD2 4.15Å; K137-F141 HydrophobicContact CG-CE2 3.54Å; K137-F141 HydrophobicContact CG-CZ 3.9Å; K137-F141 VanDerWaalsContact O-CD2 3.27Å; K137-F141 WeakPolarHBondContact O-CD2 3.45Å; K137-F141 PolarHBondContact O-N 3.41Å; K137-F290 PolarHBondContact NZ-O 3.48Å; K137-F292 HydrophobicContact CD-CE1 4.06Å; K137-F292 HydrophobicContact CD-CZ 4.47Å
138	A	89.7	Confident	84	Confident	2 Å²	2	16.7 Å²	16.7	2%	0.017	8%	0.084	C	C	.	.	H	α-helix	trans	-58.2	-45.8	173.7	0	0	0	0	0	112.7	R134 I135 L140 F141 Q142 L772 S773	R134-A138 WeakPolarHBondContact O-CB 3.38Å; R134-A138 PolarHBondContact O-N 3.28Å; I135-A138 WeakPolarHBondContact O-CB 3.4Å; I135-A138 PolarHBondContact O-N 2.88Å; A138-L140 VanDerWaalsContact C-N 3.32Å; A138-L140 PolarHBondContact O-N 2.96Å; A138-F141 PolarHBondContact O-N 3.2Å; A138-Q142 WeakPolarHBondContact O-CG 3.41Å; A138-Q142 PolarHBondContact O-N 3.09Å; A138-L772 WeakPolarHBondContact CB-O 3.42Å; A138-S773 VanDerWaalsContact CB-C 3.43Å
139	L	91.6	Very high	82.8	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-58.6	-42.3	174.4	-72.7	162	0	0	0	112.1	W39 A73 L85 L87 I135 K136 K137 Q142 L143 M265 I267	W39-L139 HydrophobicContact CB-CD2 3.59Å; W39-L139 HydrophobicContact CD2-CD1 4.35Å; W39-L139 HydrophobicContact CD2-CD2 4.3Å; W39-L139 HydrophobicContact CG-CD1 4.24Å; W39-L139 HydrophobicContact CG-CD2 3.73Å; A73-L139 HydrophobicContact CB-CD1 4.2Å; L85-L139 HydrophobicContact CD1-CB 4.38Å; L87-L139 HydrophobicContact CD2-CD1 3.6Å; I135-L139 HydrophobicContact CG2-CD1 4.17Å; I135-L139 WeakPolarHBondContact O-CG 3.36Å; I135-L139 PolarHBondContact O-N 3.39Å; K136-L139 PolarHBondContact O-N 3.12Å; K137-L139 PolarHBondContact O-N 2.83Å; L139-Q142 PolarHBondContact O-N 2.99Å; L139-L143 WeakPolarHBondContact O-CG 3.27Å; L139-L143 PolarHBondContact O-N 3.15Å; L139-L143 VanDerWaalsContact O-N 3.09Å; L139-M265 HydrophobicContact CB-CE 4.44Å; L139-M265 HydrophobicContact CD2-CE 3.24Å; L139-M265 HydrophobicContact CG-CE 3.76Å; L139-I267 HydrophobicContact CD2-CD1 3.87Å; L139-I267 HydrophobicContact CD2-CG1 4.06Å
140	L	89.5	Confident	81.6	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.9	-43.3	177.7	-69.9	179.4	0	0	0	112.9	L85 I110 F112 L119 F122 K136 K137 A138 Q142 L143 Q144	L85-L140 HydrophobicContact CD1-CD2 3.62Å; L85-L140 HydrophobicContact CD1-CG 3.97Å; I110-L140 HydrophobicContact CD1-CD1 3.49Å; I110-L140 VanDerWaalsContact CD1-CD1 3.49Å; I110-L140 HydrophobicContact CD1-CG 4.26Å; F112-L140 HydrophobicContact CB-CD1 3.83Å; F112-L140 HydrophobicContact CD1-CD1 3.87Å; F112-L140 HydrophobicContact CD1-CD2 3.89Å; F112-L140 HydrophobicContact CD2-CD1 4.1Å; F112-L140 HydrophobicContact CD2-CD2 3.73Å; F112-L140 HydrophobicContact CE1-CD1 4.49Å; F112-L140 HydrophobicContact CE1-CD2 3.69Å; F112-L140 HydrophobicContact CE2-CD2 3.51Å; F112-L140 HydrophobicContact CG-CD1 3.65Å; F112-L140 HydrophobicContact CG-CD2 3.91Å; F112-L140 HydrophobicContact CG-CG 4.46Å; F112-L140 HydrophobicContact CZ-CD2 3.49Å; F112-L140 VanDerWaalsContact CZ-CD2 3.49Å; L119-L140 HydrophobicContact CD1-CD1 4.46Å; F122-L140 HydrophobicContact CD2-CD1 3.76Å; F122-L140 HydrophobicContact CE2-CD1 3.93Å; K136-L140 WeakPolarHBondContact O-CG 3.2Å; K136-L140 PolarHBondContact O-N 2.67Å; K136-L140 VanDerWaalsContact O-N 3.15Å; K137-L140 WeakPolarHBondContact O-CB 3.22Å; K137-L140 PolarHBondContact O-N 2.99Å; A138-L140 VanDerWaalsContact C-N 3.32Å; A138-L140 PolarHBondContact O-N 2.96Å; L140-Q142 VanDerWaalsContact C-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.4Å; L140-L143 CarbonylContact O-C 3.51Å; L140-L143 PolarHBondContact O-N 3.12Å; L140-L143 VanDerWaalsContact O-N 3.15Å; L140-Q144 PolarHBondContact O-N 3.2Å
141	F	89.4	Confident	80.8	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-62.9	-33.4	178.5	-69.5	-46.4	0	0	0	112.9	L119 K137 A138 Q144 I159 D160 H161	L119-F141 HydrophobicContact CD2-CD1 3.98Å; L119-F141 HydrophobicContact CD2-CE1 3.6Å; L119-F141 HydrophobicContact CD2-CZ 4.46Å; K137-F141 HydrophobicContact CD-CE2 3.97Å; K137-F141 HydrophobicContact CD-CZ 4.19Å; K137-F141 VanDerWaalsContact CE-CZ 3.43Å; K137-F141 HydrophobicContact CG-CD2 4.15Å; K137-F141 HydrophobicContact CG-CE2 3.54Å; K137-F141 HydrophobicContact CG-CZ 3.9Å; K137-F141 VanDerWaalsContact O-CD2 3.27Å; K137-F141 WeakPolarHBondContact O-CD2 3.45Å; K137-F141 PolarHBondContact O-N 3.41Å; A138-F141 PolarHBondContact O-N 3.2Å; F141-Q144 VanDerWaalsContact O-CB 3.25Å; F141-Q144 WeakPolarHBondContact O-CB 3.42Å; F141-Q144 PolarHBondContact O-N 2.9Å; F141-I159 WeakPolarHBondContact CD1-O 3.24Å; F141-I159 HydrophobicContact CE1-CG2 4.1Å; F141-I159 WeakPolarHBondContact CE1-O 3.22Å; F141-I159 HydrophobicContact CZ-CG2 4.47Å; F141-D160 VanDerWaalsContact CE2-C 3.44Å; F141-D160 VanDerWaalsContact CZ-C 3.4Å; F141-H161 HydrophobicContact CD2-CB 4.12Å; F141-H161 HydrophobicContact CE2-CB 4Å
142	Q	90.1	Very high	80.3	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-80.8	-19.9	176.3	-57.4	-40.9	-37.9	0	0	113.5	A138 L139 L140 Q144 C225 V238 C240 M265 I267 L772	A138-Q142 WeakPolarHBondContact O-CG 3.41Å; A138-Q142 PolarHBondContact O-N 3.09Å; L139-Q142 PolarHBondContact O-N 2.99Å; L140-Q142 VanDerWaalsContact C-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.4Å; Q142-Q144 VanDerWaalsContact C-N 3.26Å; Q142-C225 PolarHBondContact OE1-SG 3.05Å; Q142-V238 HydrophobicContact CB-CG1 4.15Å; Q142-C240 PolarHBondContact OE1-SG 2.96Å; Q142-M265 HydrophobicContact CB-SD 4.4Å; Q142-M265 HydrophobicContact CG-CE 4.46Å; Q142-M265 HydrophobicContact CG-SD 3.63Å; Q142-I267 HydrophobicContact CB-CD1 3.71Å; Q142-L772 HydrophobicContact CG-CD1 4.24Å
143	L	88.5	Confident	80	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.021	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3.7	169	-69.1	171.7	0	0	0	113	Y37 I75 L139 L140 I235 V238 I267	Y37-L143 HydrophobicContact CD1-CD2 4.44Å; Y37-L143 HydrophobicContact CE1-CD2 3.98Å; Y37-L143 HydrophobicContact CE2-CD1 4.49Å; I75-L143 HydrophobicContact CD1-CD1 3.53Å; L139-L143 WeakPolarHBondContact O-CG 3.27Å; L139-L143 PolarHBondContact O-N 3.15Å; L139-L143 VanDerWaalsContact O-N 3.09Å; L140-L143 CarbonylContact O-C 3.51Å; L140-L143 PolarHBondContact O-N 3.12Å; L140-L143 VanDerWaalsContact O-N 3.15Å; L143-I235 HydrophobicContact CD2-CB 4.36Å; L143-I235 HydrophobicContact CD2-CG2 4.42Å; L143-I235 WeakPolarHBondContact O-CD1 3.48Å; L143-V238 HydrophobicContact CD2-CG2 4.19Å; L143-I267 HydrophobicContact CD2-CG2 4.26Å; L143-I267 HydrophobicContact CG-CD1 4.4Å
144	Q	86.5	Confident	79.7	Confident	3 Å²	3	30.4 Å²	30.4	1%	0.014	15%	0.154	C	C	.	.			trans	-86.1	129.4	176.9	-165.6	-178	-52.1	0	0	111.3	G117 L140 F141 Q142 I159 Y169 K183	G117-Q144 WeakPolarHBondContact O-CA 3.34Å; G117-Q144 WeakPolarHBondContact O-CG 3.38Å; L140-Q144 PolarHBondContact O-N 3.2Å; F141-Q144 VanDerWaalsContact O-CB 3.25Å; F141-Q144 WeakPolarHBondContact O-CB 3.42Å; F141-Q144 PolarHBondContact O-N 2.9Å; Q142-Q144 VanDerWaalsContact C-N 3.26Å; Q144-I159 PolarHBondContact OE1-O 2.95Å; Q144-Y169 PolarHBondContact O-OH 2.81Å; Q144-K183 PolarHBondContact O-NZ 2.85Å
145	M	82.8	Confident	79.5	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.015	18%	0.175	C	C	.	.			trans	-144.5	108.9	174.8	-176.5	174.5	54.1	0	0	111	V26 T27 G117 Y169 M181 H229 I235	V26-M145 HydrophobicContact CB-CE 4.3Å; V26-M145 HydrophobicContact CG1-CE 3.23Å; V26-M145 HydrophobicContact CG1-SD 4.18Å; T27-M145 HydrophobicContact CG2-CE 3.4Å; G117-M145 CarbonylContact C-O 3.54Å; G117-M145 WeakPolarHBondContact CA-O 3.26Å; G117-M145 PolarHBondContact O-N 3.38Å; M145-Y169 WeakPolarHBondContact CA-OH 3.31Å; M145-Y169 HydrophobicContact CG-CE1 3.91Å; M145-M181 HydrophobicContact SD-CG 4.31Å; M145-H229 HydrophobicContact CE-CB 4.02Å; M145-I235 HydrophobicContact CB-CD1 4.33Å; M145-I235 HydrophobicContact CE-CG1 4.43Å
146	S	77.1	Confident	79.3	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.021	18%	0.177	C	C	.	.			trans	-70.7	146.7	176.2	-64	0	0	0	0	112.6	R118 F154 E158	R118-S146 WeakPolarHBondContact CG-OG 3.41Å; R118-S146 PolarHBondContact NE-OG 3.35Å; S146-F154 WeakPolarHBondContact O-CZ 3.3Å; S146-E158 VanDerWaalsContact CB-OE1 3.28Å; S146-E158 WeakPolarHBondContact CB-OE1 3.45Å; S146-E158 PolarHBondContact N-OE1 3.29Å; S146-E158 PolarHBondContact OG-OE1 3Å
147	S	66.9	Low	78.9	Confident	33 Å²	33	39.9 Å²	39.9	23%	0.231	20%	0.2	C	C	.	.			trans	-112.7	130.9	169.3	71.4	0	0	0	0	112.3	I24	I24-S147 PolarHBondContact O-OG 3.05Å
148	Q	58.7	Low	78.7	Confident	116 Å²	116	39.8 Å²	39.8	54%	0.542	20%	0.2	S	C	.	.	S	Bend	trans	-135.8	-39.6	167.7	-73.4	-171.4	-23.6	0	0	111.3	F154 Y155 T156	Q148-F154 HydrophobicContact CB-CD2 4.29Å; Q148-Y155 PolarHBondContact OE1-O 3.05Å; Q148-T156 VanDerWaalsContact CD-CG2 3.41Å; Q148-T156 HydrophobicContact CG-CG2 3.97Å
149	T	57.5	Low	78.3	Confident	64 Å²	64	41 Å²	41	39%	0.393	21%	0.205	S	C	.	.	S	Bend	trans	-143	144.4	178.3	52.7	0	0	0	0	111.1
150	Y	57.3	Low	77.8	Confident	107 Å²	107	41.3 Å²	41.3	42%	0.42	21%	0.207	S	C	.	.	S	Bend	trans	-83.4	121	179.9	-169.8	-92.8	0	0	0	110.6	Q152 V174 V179 L231	Y150-Q152 VanDerWaalsContact C-N 3.27Å; Y150-Q152 PolarHBondContact O-N 2.98Å; Y150-V174 HydrophobicContact CE1-CG1 4.18Å; Y150-V179 HydrophobicContact CE2-CG2 4.44Å; Y150-V179 WeakPolarHBondContact OH-CG2 3.31Å; Y150-L231 HydrophobicContact CE2-CD2 4.11Å; Y150-L231 WeakPolarHBondContact OH-CD2 3.41Å
151	G	63.2	Low	77.3	Confident	29 Å²	29	41.8 Å²	41.8	30%	0.299	21%	0.21	S	C	.	.	S	Bend	trans	67	18.3	170.9	0	0	0	0	0	116.1	P171	G151-P171 WeakPolarHBondContact O-CG 3.43Å
152	Q	70.9	Confident	76.7	Confident	124 Å²	124	42 Å²	42	58%	0.579	21%	0.211	S	C	*	.	S	Bend	trans	-118.4	157.4	175.1	-68	-177.5	-7.1	0	0	110.9	Y150 F154	Y150-Q152 VanDerWaalsContact C-N 3.27Å; Y150-Q152 PolarHBondContact O-N 2.98Å; Q152-F154 WeakPolarHBondContact O-CD1 3.39Å
153	Q	79.1	Confident	76.2	Confident	105 Å²	105	42.9 Å²	42.9	49%	0.491	22%	0.22	S	C	.	.			trans	-71	134.7	172.1	179.8	-178.3	-1.1	0	0	109.9	E168 Y169 V170	Q153-E168 PolarHBondContact NE2-OE1 2.76Å; Q153-Y169 VanDerWaalsContact CA-O 3.23Å; Q153-Y169 WeakPolarHBondContact CA-O 3.34Å; Q153-V170 HydrophobicContact CG-CG2 4.13Å
154	F	81.2	Confident	75.8	Confident	19 Å²	19	43.7 Å²	43.7	8%	0.083	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	162.5	175.9	66.9	-93.9	0	0	0	112	S146 Q148 Q152 T156 Y169 M181	S146-F154 WeakPolarHBondContact O-CZ 3.3Å; Q148-F154 HydrophobicContact CB-CD2 4.29Å; Q152-F154 WeakPolarHBondContact O-CD1 3.39Å; F154-T156 HydrophobicContact CD2-CG2 3.71Å; F154-T156 HydrophobicContact CE2-CG2 3.62Å; F154-Y169 HydrophobicContact CD2-CD2 4.31Å; F154-Y169 HydrophobicContact CE1-CG 4.23Å; F154-Y169 AromaticContact CE2-CD2 3.46Å; F154-Y169 HydrophobicContact CE2-CD2 3.46Å; F154-Y169 VanDerWaalsContact CE2-CD2 3.46Å; F154-Y169 HydrophobicContact CE2-CE2 4.24Å; F154-Y169 AromaticContact CE2-CG 3.94Å; F154-Y169 HydrophobicContact CE2-CG 3.94Å; F154-Y169 HydrophobicContact CZ-CD1 4.46Å; F154-Y169 AromaticContact CZ-CD2 3.6Å; F154-Y169 HydrophobicContact CZ-CD2 3.6Å; F154-Y169 HydrophobicContact CZ-CE2 4.42Å; F154-Y169 AromaticContact CZ-CG 3.62Å; F154-Y169 HydrophobicContact CZ-CG 3.62Å; F154-Y169 PolarHBondContact N-O 3.12Å; F154-Y169 VanDerWaalsContact N-O 3.09Å; F154-Y169 PolarHBondContact O-N 2.79Å; F154-M181 HydrophobicContact CE1-CE 4.29Å
155	Y	82.7	Confident	75.8	Confident	127 Å²	127	43.6 Å²	43.6	50%	0.498	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.3	175.8	-61.6	-88.5	0	0	0	109.9	Q148 T167 E168	Q148-Y155 PolarHBondContact OE1-O 3.05Å; Y155-T167 WeakPolarHBondContact CA-O 3.02Å; Y155-E168 HydrophobicContact CD1-CB 3.8Å; Y155-E168 HydrophobicContact CD1-CG 3.99Å; Y155-E168 HydrophobicContact CE1-CB 3.73Å; Y155-E168 HydrophobicContact CE1-CG 3.58Å
156	T	82.6	Confident	75.9	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.049	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	165.9	176.2	41.5	0	0	0	0	110.1	Q148 F154 Q166 T167	Q148-T156 VanDerWaalsContact CD-CG2 3.41Å; Q148-T156 HydrophobicContact CG-CG2 3.97Å; F154-T156 HydrophobicContact CD2-CG2 3.71Å; F154-T156 HydrophobicContact CE2-CG2 3.62Å; T156-Q166 WeakPolarHBondContact O-CA 3.35Å; T156-T167 PolarHBondContact N-O 2.8Å; T156-T167 PolarHBondContact O-N 3Å; T156-T167 PolarHBondContact O-OG1 3.19Å; T156-T167 PolarHBondContact OG1-O 3.22Å; T156-T167 PolarHBondContact OG1-OG1 3.41Å; T156-T167 VanDerWaalsContact OG1-OG1 3.11Å
157	V	83.3	Confident	76.3	Confident	78 Å²	78	47.7 Å²	47.7	47%	0.473	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.2	166	-179.5	0	0	0	0	107.6	C165	V157-C165 WeakPolarHBondContact CA-O 3.29Å
158	E	83.6	Confident	77.4	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.3	179.3	-73.2	-171.6	168.8	0	0	110.8	S146 C165 T167 Y169 K183	S146-E158 VanDerWaalsContact CB-OE1 3.28Å; S146-E158 WeakPolarHBondContact CB-OE1 3.45Å; S146-E158 PolarHBondContact N-OE1 3.29Å; S146-E158 PolarHBondContact OG-OE1 3Å; E158-C165 PolarHBondContact N-O 3.1Å; E158-C165 PolarHBondContact O-N 3.08Å; E158-T167 HydrophobicContact CB-CG2 3.91Å; E158-T167 HydrophobicContact CG-CG2 4.29Å; E158-T167 WeakPolarHBondContact CG-OG1 3.26Å; E158-Y169 VanDerWaalsContact OE1-CE2 3.28Å; E158-Y169 WeakPolarHBondContact OE1-CE2 3.41Å; E158-Y169 PolarHBondContact OE1-OH 2.97Å; E158-Y169 PolarHBondContact OE2-OH 3.16Å; E158-Y169 VanDerWaalsContact OE2-OH 3.09Å; E158-K183 WeakPolarHBondContact OE2-CE 3.38Å; E158-K183 IonicContact OE2-NZ 2.68Å; E158-K183 PolarHBondContact OE2-NZ 2.94Å
159	I	81.6	Confident	78.7	Confident	27 Å²	27	42.4 Å²	42.4	14%	0.138	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.4	169.4	-50.2	172.6	0	0	0	107.8	F141 Q144 G163 Y194 F290	F141-I159 WeakPolarHBondContact CD1-O 3.24Å; F141-I159 HydrophobicContact CE1-CG2 4.1Å; F141-I159 WeakPolarHBondContact CE1-O 3.22Å; F141-I159 HydrophobicContact CZ-CG2 4.47Å; Q144-I159 PolarHBondContact OE1-O 2.95Å; I159-G163 CarbonylContact C-O 3.53Å; I159-G163 WeakPolarHBondContact CA-O 3.38Å; I159-Y194 HydrophobicContact CD1-CD2 4.03Å; I159-Y194 HydrophobicContact CD1-CE2 3.64Å; I159-Y194 HydrophobicContact CG1-CD2 4.49Å; I159-Y194 HydrophobicContact CG1-CE2 4.4Å; I159-F290 HydrophobicContact CD1-CD1 4.41Å; I159-F290 HydrophobicContact CD1-CE1 3.77Å; I159-F290 HydrophobicContact CD1-CE2 3.95Å; I159-F290 HydrophobicContact CD1-CZ 3.51Å; I159-F290 HydrophobicContact CG2-CD1 3.66Å; I159-F290 HydrophobicContact CG2-CE1 3.89Å; I159-F290 HydrophobicContact CG2-CG 4.22Å
160	D	82.1	Confident	80.1	Confident	9 Å²	9	41 Å²	41	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	-178.9	179	-161.1	-0.8	0	0	0	110	F141 L162 G163 R185	F141-D160 VanDerWaalsContact CE2-C 3.44Å; F141-D160 VanDerWaalsContact CZ-C 3.4Å; D160-L162 PolarHBondContact O-N 2.81Å; D160-L162 VanDerWaalsContact O-N 3.09Å; D160-G163 PolarHBondContact N-O 2.86Å; D160-G163 PolarHBondContact O-N 2.84Å; D160-R185 WeakPolarHBondContact OD2-CD 3.13Å; D160-R185 IonicContact OD2-CZ 3.51Å; D160-R185 IonicContact OD2-NE 3.37Å; D160-R185 PolarHBondContact OD2-NE 2.8Å; D160-R185 IonicContact OD2-NH1 2.79Å; D160-R185 PolarHBondContact OD2-NH1 2.95Å
161	H	77.7	Confident	81.3	Confident	10 Å²	10	37.7 Å²	37.7	5%	0.046	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.9	171.6	61.3	-81.8	0	0	0	113.1	F141 R185 E242 F292 P770 L771 L772	F141-H161 HydrophobicContact CD2-CB 4.12Å; F141-H161 HydrophobicContact CE2-CB 4Å; H161-R185 PolarHBondContact CE1-NH1 3.29Å; H161-R185 PolarHBondContact NE2-NH1 2.8Å; H161-R185 VanDerWaalsContact NE2-NH1 3.2Å; H161-E242 IonicContact NE2-OE1 2.89Å; H161-F292 HydrophobicContact CB-CE2 4.44Å; H161-F292 HydrophobicContact CB-CZ 4.12Å; H161-F292 WeakPolarHBondContact O-CE2 3.48Å; H161-P770 PolarHBondContact CD2-O 2.79Å; H161-P770 WeakPolarHBondContact O-CG 3.32Å; H161-L771 VanDerWaalsContact CD2-C 3.5Å; H161-L772 VanDerWaalsContact CE1-CA 3.5Å; H161-L772 WeakPolarHBondContact CE1-CA 3.4Å; H161-L772 PolarHBondContact NE2-N 2.79Å
162	L	76.9	Confident	82.3	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.031	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	19.8	173.3	-67.2	-171.3	0	0	0	113.1	D160 R185 C190 R215 H769 P770	D160-L162 PolarHBondContact O-N 2.81Å; D160-L162 VanDerWaalsContact O-N 3.09Å; L162-R185 VanDerWaalsContact CG-NH1 3.28Å; L162-C190 HydrophobicContact CB-CB 4.14Å; L162-R215 PolarHBondContact O-NH2 3.31Å; L162-H769 WeakPolarHBondContact CD2-CE1 3.47Å; L162-P770 HydrophobicContact CD2-CG 3.93Å
163	G	80.3	Confident	82.8	Confident	20 Å²	20	38.3 Å²	38.3	21%	0.206	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.8	-142.9	-177.2	0	0	0	0	0	112.4	I159 D160 N191	I159-G163 CarbonylContact C-O 3.53Å; I159-G163 WeakPolarHBondContact CA-O 3.38Å; D160-G163 PolarHBondContact N-O 2.86Å; D160-G163 PolarHBondContact O-N 2.84Å; G163-N191 CarbonylContact C-O 3.33Å; G163-N191 WeakPolarHBondContact CA-O 2.97Å
164	S	80.8	Confident	82.5	Confident	21 Å²	21	36.8 Å²	36.8	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.7	-178.4	58.6	0	0	0	0	111	C190 N191 E193	S164-C190 CarbonylContact O-C 3.57Å; S164-C190 VanDerWaalsContact O-CA 3.23Å; S164-C190 WeakPolarHBondContact O-CA 3.47Å; S164-N191 PolarHBondContact N-O 2.9Å; S164-N191 PolarHBondContact O-N 3Å; S164-N191 PolarHBondContact OG-O 2.8Å; S164-E193 PolarHBondContact OG-O 2.02Å; S164-E193 VanDerWaalsContact OG-O 3.07Å
165	C	85.1	Confident	82.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.9	-173.4	-70.3	0	0	0	0	111.7	V157 E158 T167 R185 C190	V157-C165 WeakPolarHBondContact CA-O 3.29Å; E158-C165 PolarHBondContact N-O 3.1Å; E158-C165 PolarHBondContact O-N 3.08Å; C165-T167 PolarHBondContact O-N 3.39Å; C165-R185 HydrophobicContact CB-CG 3.96Å; C165-C190 HydrophobicContact CB-CB 4.07Å; C165-C190 WeakPolarHBondContact CB-SG 3.47Å; C165-C190 WeakPolarHBondContact SG-CB 3.33Å; C165-C190 CovalentContact SG-SG 2.03Å; C165-C190 PolarHBondContact SG-SG 2.79Å
166	Q	84.4	Confident	81.8	Confident	92 Å²	92	38.9 Å²	38.9	43%	0.43	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	122.5	164.9	-172.8	175	-21.4	0	0	109.8	T156 F189	T156-Q166 WeakPolarHBondContact O-CA 3.35Å; Q166-F189 HydrophobicContact CB-CB 4.08Å; Q166-F189 PolarHBondContact N-O 3.18Å
167	T	87.3	Confident	81.6	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.4	-178.6	52.4	0	0	0	0	110.7	Y155 T156 E158 C165 K184 R185	Y155-T167 WeakPolarHBondContact CA-O 3.02Å; T156-T167 PolarHBondContact N-O 2.8Å; T156-T167 PolarHBondContact O-N 3Å; T156-T167 PolarHBondContact O-OG1 3.19Å; T156-T167 PolarHBondContact OG1-O 3.22Å; T156-T167 PolarHBondContact OG1-OG1 3.41Å; T156-T167 VanDerWaalsContact OG1-OG1 3.11Å; E158-T167 HydrophobicContact CB-CG2 3.91Å; E158-T167 HydrophobicContact CG-CG2 4.29Å; E158-T167 WeakPolarHBondContact CG-OG1 3.26Å; C165-T167 PolarHBondContact O-N 3.39Å; T167-K184 WeakPolarHBondContact CA-O 3.48Å; T167-R185 HydrophobicContact CG2-CB 4.25Å; T167-R185 HydrophobicContact CG2-CG 4.27Å
168	E	88.7	Confident	81.5	Confident	37 Å²	37	43.7 Å²	43.7	17%	0.173	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.8	176.6	-178.9	-167.3	179.8	0	0	109.6	Q153 Y155 V170 K183 K184	Q153-E168 PolarHBondContact NE2-OE1 2.76Å; Y155-E168 HydrophobicContact CD1-CB 3.8Å; Y155-E168 HydrophobicContact CD1-CG 3.99Å; Y155-E168 HydrophobicContact CE1-CB 3.73Å; Y155-E168 HydrophobicContact CE1-CG 3.58Å; E168-V170 HydrophobicContact CG-CG2 4.12Å; E168-V170 WeakPolarHBondContact OE1-CG2 3.35Å; E168-K183 CarbonylContact O-C 3.57Å; E168-K183 WeakPolarHBondContact O-CA 3.38Å; E168-K184 HydrophobicContact CB-CB 4.3Å; E168-K184 PolarHBondContact N-O 3.2Å; E168-K184 PolarHBondContact O-N 3.45Å
169	Y	86.9	Confident	81.4	Confident	1 Å²	1	43.6 Å²	43.6	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.1	172.2	-75.8	-89.8	0	0	0	110	Q144 M145 Q153 F154 E158 M181 I182 K183 L227	Q144-Y169 PolarHBondContact O-OH 2.81Å; M145-Y169 WeakPolarHBondContact CA-OH 3.31Å; M145-Y169 HydrophobicContact CG-CE1 3.91Å; Q153-Y169 VanDerWaalsContact CA-O 3.23Å; Q153-Y169 WeakPolarHBondContact CA-O 3.34Å; F154-Y169 HydrophobicContact CD2-CD2 4.31Å; F154-Y169 HydrophobicContact CE1-CG 4.23Å; F154-Y169 AromaticContact CE2-CD2 3.46Å; F154-Y169 HydrophobicContact CE2-CD2 3.46Å; F154-Y169 VanDerWaalsContact CE2-CD2 3.46Å; F154-Y169 HydrophobicContact CE2-CE2 4.24Å; F154-Y169 AromaticContact CE2-CG 3.94Å; F154-Y169 HydrophobicContact CE2-CG 3.94Å; F154-Y169 HydrophobicContact CZ-CD1 4.46Å; F154-Y169 AromaticContact CZ-CD2 3.6Å; F154-Y169 HydrophobicContact CZ-CD2 3.6Å; F154-Y169 HydrophobicContact CZ-CE2 4.42Å; F154-Y169 AromaticContact CZ-CG 3.62Å; F154-Y169 HydrophobicContact CZ-CG 3.62Å; F154-Y169 PolarHBondContact N-O 3.12Å; F154-Y169 VanDerWaalsContact N-O 3.09Å; F154-Y169 PolarHBondContact O-N 2.79Å; E158-Y169 VanDerWaalsContact OE1-CE2 3.28Å; E158-Y169 WeakPolarHBondContact OE1-CE2 3.41Å; E158-Y169 PolarHBondContact OE1-OH 2.97Å; E158-Y169 PolarHBondContact OE2-OH 3.16Å; E158-Y169 VanDerWaalsContact OE2-OH 3.09Å; Y169-M181 HydrophobicContact CD1-CB 4.31Å; Y169-I182 CarbonylContact C-O 3.55Å; Y169-I182 WeakPolarHBondContact CA-O 3.05Å; Y169-K183 HydrophobicContact CD1-CB 4.05Å; Y169-K183 HydrophobicContact CE1-CB 3.71Å; Y169-K183 HydrophobicContact CE1-CD 4.1Å; Y169-K183 HydrophobicContact CE1-CG 3.97Å; Y169-K183 WeakPolarHBondContact OH-CD 3.42Å; Y169-L227 HydrophobicContact CE1-CD1 3.94Å
170	V	87	Confident	81.7	Confident	33 Å²	33	42.9 Å²	42.9	20%	0.2	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.3	178.1	-176	0	0	0	0	109.4	Q153 E168 K172 M181 I182	Q153-V170 HydrophobicContact CG-CG2 4.13Å; E168-V170 HydrophobicContact CG-CG2 4.12Å; E168-V170 WeakPolarHBondContact OE1-CG2 3.35Å; V170-K172 PolarHBondContact O-N 3.49Å; V170-M181 CarbonylContact O-C 3.59Å; V170-I182 HydrophobicContact CB-CB 4.36Å; V170-I182 PolarHBondContact N-O 3.22Å; V170-I182 PolarHBondContact O-N 3.2Å
171	P	82.8	Confident	81.9	Confident	38 Å²	38	43 Å²	43	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	130.3	175.8	30	-36.1	0	0	0	110.8	G151 M181	G151-P171 WeakPolarHBondContact O-CG 3.43Å; P171-M181 HydrophobicContact CB-CE 4.21Å; P171-M181 HydrophobicContact CB-SD 3.87Å
172	K	84	Confident	82.5	Confident	105 Å²	105	44.2 Å²	44.2	46%	0.457	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-49.2	177.7	-172	-170.8	-177	-174.1	0	112.1	V170 T180 I182 E226	V170-K172 PolarHBondContact O-N 3.49Å; K172-T180 PolarHBondContact N-O 3.43Å; K172-I182 HydrophobicContact CB-CD1 3.9Å; K172-I182 HydrophobicContact CB-CG1 4.04Å; K172-I182 HydrophobicContact CD-CD1 4.01Å; K172-I182 HydrophobicContact CD-CG1 4.22Å; K172-I182 HydrophobicContact CG-CD1 4.01Å; K172-I182 HydrophobicContact CG-CG1 4.47Å; K172-E226 HydrophobicContact CD-CG 4.5Å; K172-E226 WeakPolarHBondContact CD-OE1 3.49Å; K172-E226 IonicContact NZ-OE1 3.75Å; K172-E226 PolarHBondContact NZ-OE1 3.15Å; K172-E226 IonicContact NZ-OE2 2.8Å; K172-E226 PolarHBondContact NZ-OE2 3.36Å
173	T	80.2	Confident	83.2	Confident	61 Å²	61	44.1 Å²	44.1	37%	0.374	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.6	177.2	69	0	0	0	0	110.1	T180	T173-T180 WeakPolarHBondContact CB-OG1 3.27Å; T173-T180 PolarHBondContact N-O 3.34Å; T173-T180 PolarHBondContact N-OG1 2.89Å; T173-T180 PolarHBondContact O-N 3.14Å; T173-T180 PolarHBondContact O-OG1 3.26Å; T173-T180 VanDerWaalsContact OG1-CG2 3.28Å; T173-T180 WeakPolarHBondContact OG1-CG2 3.26Å; T173-T180 PolarHBondContact OG1-OG1 3.22Å
174	V	74.3	Confident	83.7	Confident	74 Å²	74	47 Å²	47	45%	0.448	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	101.1	178.3	-176.9	0	0	0	0	106.6	Y150 V179	Y150-V174 HydrophobicContact CE1-CG1 4.18Å; V174-V179 HydrophobicContact CG1-CG2 4Å; V174-V179 HydrophobicContact CG2-CG1 4.27Å
175	N	76.1	Confident	84.1	Confident	94 Å²	94	46.3 Å²	46.3	50%	0.503	25%	0.246	S	C	.	.			trans	-97.1	167.7	175.4	-65.9	-14.1	0	0	0	110	H177 T178	N175-H177 PolarHBondContact O-N 2.81Å; N175-H177 VanDerWaalsContact O-N 3.1Å; N175-T178 WeakPolarHBondContact CA-O 3.42Å; N175-T178 WeakPolarHBondContact CB-O 3.42Å; N175-T178 PolarHBondContact N-O 2.86Å
176	S	72.4	Confident	83.9	Confident	96 Å²	96	48 Å²	48	67%	0.671	26%	0.255	S	S	*	.	S	Bend	trans	-62.3	-16.8	179.5	51.8	0	0	0	0	115.1	L231	S176-L231 WeakPolarHBondContact O-CD1 3.09Å
177	H	77.3	Confident	83.6	Confident	142 Å²	142	43.9 Å²	43.9	66%	0.657	24%	0.237	S	C	*	.	S	Bend	trans	-125.7	-20.3	-177.6	-61.6	83.8	0	0	0	113.6	N175 L231	N175-H177 PolarHBondContact O-N 2.81Å; N175-H177 VanDerWaalsContact O-N 3.1Å; H177-L231 PolarHBondContact O-N 3.48Å; H177-L231 VanDerWaalsContact O-N 3.16Å
178	T	81	Confident	82.8	Confident	44 Å²	44	48.4 Å²	48.4	27%	0.27	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	143.6	-172.8	58.3	0	0	0	0	111.1	N175 H229	N175-T178 WeakPolarHBondContact CA-O 3.42Å; N175-T178 WeakPolarHBondContact CB-O 3.42Å; N175-T178 PolarHBondContact N-O 2.86Å; T178-H229 CarbonylContact C-O 3.5Å; T178-H229 VanDerWaalsContact CA-O 3.22Å; T178-H229 WeakPolarHBondContact CA-O 3.15Å
179	V	83.4	Confident	82.1	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.024	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.3	176.2	176.3	0	0	0	0	109.3	Y150 V174 M181 T228 H229 L231	Y150-V179 HydrophobicContact CE2-CG2 4.44Å; Y150-V179 WeakPolarHBondContact OH-CG2 3.31Å; V174-V179 HydrophobicContact CG1-CG2 4Å; V174-V179 HydrophobicContact CG2-CG1 4.27Å; V179-M181 HydrophobicContact CG1-CG 4.31Å; V179-M181 HydrophobicContact CG1-SD 4.04Å; V179-T228 WeakPolarHBondContact O-CA 3.25Å; V179-H229 VanDerWaalsContact CB-CE1 3.4Å; V179-H229 WeakPolarHBondContact CB-CE1 3.49Å; V179-H229 PolarHBondContact N-O 3.41Å; V179-H229 PolarHBondContact O-N 3.4Å; V179-H229 PolarHBondContact O-ND1 3.16Å; V179-H229 VanDerWaalsContact O-ND1 3.13Å; V179-L231 HydrophobicContact CG2-CD2 4.1Å
180	T	86.5	Confident	81.6	Confident	13 Å²	13	52.5 Å²	52.5	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.8	178.8	72.2	0	0	0	0	110.6	K172 T173 L227 T228	K172-T180 PolarHBondContact N-O 3.43Å; T173-T180 WeakPolarHBondContact CB-OG1 3.27Å; T173-T180 PolarHBondContact N-O 3.34Å; T173-T180 PolarHBondContact N-OG1 2.89Å; T173-T180 PolarHBondContact O-N 3.14Å; T173-T180 PolarHBondContact O-OG1 3.26Å; T173-T180 VanDerWaalsContact OG1-CG2 3.28Å; T173-T180 WeakPolarHBondContact OG1-CG2 3.26Å; T173-T180 PolarHBondContact OG1-OG1 3.22Å; T180-L227 CarbonylContact C-O 3.56Å; T180-L227 VanDerWaalsContact CA-O 3.24Å; T180-L227 WeakPolarHBondContact CA-O 3.22Å; T180-T228 HydrophobicContact CG2-CG2 3.38Å
181	M	87	Confident	80.8	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.049	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.8	179.2	-59.3	-62	-69.8	0	0	110.1	M145 F154 Y169 V170 P171 V179 L227	M145-M181 HydrophobicContact SD-CG 4.31Å; F154-M181 HydrophobicContact CE1-CE 4.29Å; Y169-M181 HydrophobicContact CD1-CB 4.31Å; V170-M181 CarbonylContact O-C 3.59Å; P171-M181 HydrophobicContact CB-CE 4.21Å; P171-M181 HydrophobicContact CB-SD 3.87Å; V179-M181 HydrophobicContact CG1-CG 4.31Å; V179-M181 HydrophobicContact CG1-SD 4.04Å; M181-L227 PolarHBondContact N-O 3.2Å; M181-L227 PolarHBondContact O-N 3.38Å
182	I	90.3	Very high	79.8	Confident	37 Å²	37	57.5 Å²	57.5	19%	0.19	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.2	169.3	-62.6	163.9	0	0	0	107.6	Y169 V170 K172 K184 I224 C225	Y169-I182 CarbonylContact C-O 3.55Å; Y169-I182 WeakPolarHBondContact CA-O 3.05Å; V170-I182 HydrophobicContact CB-CB 4.36Å; V170-I182 PolarHBondContact N-O 3.22Å; V170-I182 PolarHBondContact O-N 3.2Å; K172-I182 HydrophobicContact CB-CD1 3.9Å; K172-I182 HydrophobicContact CB-CG1 4.04Å; K172-I182 HydrophobicContact CD-CD1 4.01Å; K172-I182 HydrophobicContact CD-CG1 4.22Å; K172-I182 HydrophobicContact CG-CD1 4.01Å; K172-I182 HydrophobicContact CG-CG1 4.47Å; I182-K184 HydrophobicContact CG2-CG 4.03Å; I182-I224 HydrophobicContact CG2-CG2 3.93Å; I182-C225 CarbonylContact C-O 3.58Å; I182-C225 VanDerWaalsContact CA-O 3.28Å; I182-C225 WeakPolarHBondContact CA-O 3.27Å
183	K	91.3	Very high	78.3	Confident	3 Å²	3	59.7 Å²	59.7	1%	0.013	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125	172.1	173.7	-176.5	-172	167.4	0	109	Q144 E158 E168 Y169 I224 C225 L227	Q144-K183 PolarHBondContact O-NZ 2.85Å; E158-K183 WeakPolarHBondContact OE2-CE 3.38Å; E158-K183 IonicContact OE2-NZ 2.68Å; E158-K183 PolarHBondContact OE2-NZ 2.94Å; E168-K183 CarbonylContact O-C 3.57Å; E168-K183 WeakPolarHBondContact O-CA 3.38Å; Y169-K183 HydrophobicContact CD1-CB 4.05Å; Y169-K183 HydrophobicContact CE1-CB 3.71Å; Y169-K183 HydrophobicContact CE1-CD 4.1Å; Y169-K183 HydrophobicContact CE1-CG 3.97Å; Y169-K183 WeakPolarHBondContact OH-CD 3.42Å; K183-I224 CarbonylContact O-C 3.59Å; K183-I224 WeakPolarHBondContact O-CA 3.41Å; K183-C225 HydrophobicContact CB-CB 4.09Å; K183-C225 PolarHBondContact N-O 3.03Å; K183-C225 PolarHBondContact O-N 3.32Å; K183-L227 HydrophobicContact CB-CD1 3.88Å; K183-L227 HydrophobicContact CD-CD1 4.05Å
184	K	90.6	Very high	76.3	Confident	81 Å²	81	63.1 Å²	63.1	35%	0.352	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142	175.9	-61	177	-175.4	166.9	0	110.5	T167 E168 I182 L223	T167-K184 WeakPolarHBondContact CA-O 3.48Å; E168-K184 HydrophobicContact CB-CB 4.3Å; E168-K184 PolarHBondContact N-O 3.2Å; E168-K184 PolarHBondContact O-N 3.45Å; I182-K184 HydrophobicContact CG2-CG 4.03Å; K184-L223 WeakPolarHBondContact CA-O 3.32Å
185	R	89.1	Confident	74.6	Confident	7 Å²	7	65.9 Å²	65.9	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	132.8	177.2	-179.8	-150.6	69.9	154.8	2.4	109.5	D160 H161 L162 C165 T167 S221 L223 E242	D160-R185 WeakPolarHBondContact OD2-CD 3.13Å; D160-R185 IonicContact OD2-CZ 3.51Å; D160-R185 IonicContact OD2-NE 3.37Å; D160-R185 PolarHBondContact OD2-NE 2.8Å; D160-R185 IonicContact OD2-NH1 2.79Å; D160-R185 PolarHBondContact OD2-NH1 2.95Å; H161-R185 PolarHBondContact CE1-NH1 3.29Å; H161-R185 PolarHBondContact NE2-NH1 2.8Å; H161-R185 VanDerWaalsContact NE2-NH1 3.2Å; L162-R185 VanDerWaalsContact CG-NH1 3.28Å; C165-R185 HydrophobicContact CB-CG 3.96Å; T167-R185 HydrophobicContact CG2-CB 4.25Å; T167-R185 HydrophobicContact CG2-CG 4.27Å; R185-S221 PolarHBondContact NH2-OG 3.02Å; R185-L223 HydrophobicContact CB-CB 4.24Å; R185-L223 HydrophobicContact CB-CD2 4.3Å; R185-L223 PolarHBondContact N-O 3.22Å; R185-L223 PolarHBondContact O-N 3.03Å; R185-E242 IonicContact NH2-OE1 2.59Å; R185-E242 PolarHBondContact NH2-OE1 3.33Å
186	N	80.7	Confident	72.6	Confident	35 Å²	35	64.7 Å²	64.7	19%	0.187	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.9	170.8	-179.1	-45.7	0	0	0	109.5	M188 F189 D222	N186-M188 PolarHBondContact O-N 3.29Å; N186-M188 VanDerWaalsContact O-N 3.11Å; N186-M188 VanDerWaalsContact OD1-CB 3.24Å; N186-M188 WeakPolarHBondContact OD1-CB 3.43Å; N186-M188 WeakPolarHBondContact OD1-CG 2.97Å; N186-M188 PolarHBondContact OD1-N 2.94Å; N186-F189 HydrophobicContact CB-CD2 3.99Å; N186-F189 HydrophobicContact CB-CE2 4.29Å; N186-F189 PolarHBondContact O-N 3.46Å; N186-F189 VanDerWaalsContact O-N 3.11Å; N186-D222 WeakPolarHBondContact CB-OD1 3.33Å; N186-D222 PolarHBondContact ND2-OD1 2.72Å
187	S	78.2	Confident	70.6	Confident	5 Å²	5	68.5 Å²	68.5	4%	0.035	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	-20	-179.1	52.8	0	0	0	0	115.2	F189 C190 R215 S221	S187-F189 VanDerWaalsContact C-N 3.28Å; S187-F189 PolarHBondContact O-N 3.13Å; S187-C190 PolarHBondContact O-N 3.31Å; S187-R215 PolarHBondContact O-NH1 3.36Å; S187-S221 VanDerWaalsContact CB-O 3.29Å; S187-S221 WeakPolarHBondContact CB-O 3.4Å; S187-S221 WeakPolarHBondContact CB-OG 3.48Å; S187-S221 PolarHBondContact N-O 3.41Å; S187-S221 PolarHBondContact OG-N 2.82Å; S187-S221 PolarHBondContact OG-O 3.4Å
188	M	71.8	Confident	68.3	Low	96 Å²	96	70 Å²	70	47%	0.473	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-24.9	176	-66.7	-165.2	177.6	0	0	113.2	N186 N213 Q220	N186-M188 PolarHBondContact O-N 3.29Å; N186-M188 VanDerWaalsContact O-N 3.11Å; N186-M188 VanDerWaalsContact OD1-CB 3.24Å; N186-M188 WeakPolarHBondContact OD1-CB 3.43Å; N186-M188 WeakPolarHBondContact OD1-CG 2.97Å; N186-M188 PolarHBondContact OD1-N 2.94Å; M188-N213 PolarHBondContact O-ND2 2.89Å; M188-Q220 HydrophobicContact CE-CB 4.47Å; M188-Q220 HydrophobicContact CE-CG 4.22Å
189	F	73.2	Confident	65.7	Low	125 Å²	125	75.7 Å²	75.7	55%	0.548	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	22.8	-179.5	-56	-69.1	0	0	0	113.1	Q166 N186 S187	Q166-F189 HydrophobicContact CB-CB 4.08Å; Q166-F189 PolarHBondContact N-O 3.18Å; N186-F189 HydrophobicContact CB-CD2 3.99Å; N186-F189 HydrophobicContact CB-CE2 4.29Å; N186-F189 PolarHBondContact O-N 3.46Å; N186-F189 VanDerWaalsContact O-N 3.11Å; S187-F189 VanDerWaalsContact C-N 3.28Å; S187-F189 PolarHBondContact O-N 3.13Å
190	C	76.4	Confident	63	Low	0 Å²	0	86.7 Å²	86.7	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132	-178.2	-68.2	0	0	0	0	111.7	L162 S164 C165 S187 N213	L162-C190 HydrophobicContact CB-CB 4.14Å; S164-C190 CarbonylContact O-C 3.57Å; S164-C190 VanDerWaalsContact O-CA 3.23Å; S164-C190 WeakPolarHBondContact O-CA 3.47Å; C165-C190 HydrophobicContact CB-CB 4.07Å; C165-C190 WeakPolarHBondContact CB-SG 3.47Å; C165-C190 WeakPolarHBondContact SG-CB 3.33Å; C165-C190 CovalentContact SG-SG 2.03Å; C165-C190 PolarHBondContact SG-SG 2.79Å; S187-C190 PolarHBondContact O-N 3.31Å; C190-N213 PolarHBondContact N-ND2 3.03Å; C190-N213 VanDerWaalsContact O-CG 3.31Å; C190-N213 PolarHBondContact O-ND2 3.01Å
191	N	70.6	Confident	60.3	Low	57 Å²	57	92.5 Å²	92.5	31%	0.305	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.1	-179.1	-61.2	5.2	0	0	0	110.7	G163 S164 E193 N213	G163-N191 CarbonylContact C-O 3.33Å; G163-N191 WeakPolarHBondContact CA-O 2.97Å; S164-N191 PolarHBondContact N-O 2.9Å; S164-N191 PolarHBondContact O-N 3Å; S164-N191 PolarHBondContact OG-O 2.8Å; N191-E193 VanDerWaalsContact C-N 3.34Å; N191-N213 VanDerWaalsContact OD1-CG 3.27Å; N191-N213 PolarHBondContact OD1-ND2 3.46Å; N191-N213 PolarHBondContact OD1-OD1 3.44Å
192	D	60.9	Low	57.7	Low	118 Å²	118	99.9 Å²	99.9	63%	0.631	47%	0.472	S	S	*	.	S	Bend	trans	-72.1	-27.5	179.8	-62.1	-26.9	0	0	0	112.3	R215	D192-R215 IonicContact OD1-CZ 2.8Å; D192-R215 IonicContact OD1-NE 3.87Å; D192-R215 IonicContact OD1-NH2 2.68Å; D192-R215 PolarHBondContact OD1-NH2 3.26Å
193	E	52.1	Low	54.8	Low	152 Å²	152	103.1 Å²	103.1	71%	0.71	50%	0.498	S	S	*	.	S	Bend	trans	-78.4	131.9	179.1	-67.7	-174	173.1	0	0	112.5	S164 N191 Q195	S164-E193 PolarHBondContact OG-O 2.02Å; S164-E193 VanDerWaalsContact OG-O 3.07Å; N191-E193 VanDerWaalsContact C-N 3.34Å; E193-Q195 PolarHBondContact O-N 2.86Å
194	Y	39.4	Very low	51.9	Low	132 Å²	132	112.4 Å²	112.4	52%	0.518	54%	0.539	S	S	.	.			trans	-76	109.7	168.3	176.3	-102.9	0	0	0	109.7	I159 P196 F290	I159-Y194 HydrophobicContact CD1-CD2 4.03Å; I159-Y194 HydrophobicContact CD1-CE2 3.64Å; I159-Y194 HydrophobicContact CG1-CD2 4.49Å; I159-Y194 HydrophobicContact CG1-CE2 4.4Å; Y194-P196 HydrophobicContact CD1-CB 4.49Å; Y194-P196 HydrophobicContact CD1-CG 4.38Å; Y194-P196 HydrophobicContact CE1-CB 3.71Å; Y194-P196 HydrophobicContact CE1-CG 4Å; Y194-P196 VanDerWaalsContact O-CD 3.3Å; Y194-P196 WeakPolarHBondContact O-CD 3.49Å; Y194-F290 HydrophobicContact CD2-CD2 4.35Å; Y194-F290 HydrophobicContact CD2-CE2 4.35Å; Y194-F290 HydrophobicContact CE2-CE2 4.22Å
195	Q	38.3	Very low	49	Very low	132 Å²	132	115.7 Å²	115.7	62%	0.617	56%	0.559	S	S	*	*			trans	-95.6	106.7	167.5	-69.2	-170.6	-10.5	0	0	109.7	E193 F197	E193-Q195 PolarHBondContact O-N 2.86Å; Q195-F197 PolarHBondContact O-N 3.46Å; Q195-F197 VanDerWaalsContact O-N 3.12Å
196	P	33.6	Very low	46.3	Very low	70 Å²	70	121.9 Å²	121.9	46%	0.455	59%	0.593	S	S	.	*			trans	-68.1	110.8	169.2	25	-28.3	0	0	0	108.6	Y194 F198	Y194-P196 HydrophobicContact CD1-CB 4.49Å; Y194-P196 HydrophobicContact CD1-CG 4.38Å; Y194-P196 HydrophobicContact CE1-CB 3.71Å; Y194-P196 HydrophobicContact CE1-CG 4Å; Y194-P196 VanDerWaalsContact O-CD 3.3Å; Y194-P196 WeakPolarHBondContact O-CD 3.49Å; P196-F198 VanDerWaalsContact C-N 3.25Å; P196-F198 HydrophobicContact CB-CD2 4.2Å; P196-F198 HydrophobicContact CB-CE2 4.15Å; P196-F198 PolarHBondContact O-N 3.14Å
197	F	31.2	Very low	44	Very low	175 Å²	175	126.7 Å²	126.7	77%	0.768	62%	0.619	S	S	*	*			trans	-65.8	86.2	168.5	-106.4	-87.6	0	0	0	109.1	Q195	Q195-F197 PolarHBondContact O-N 3.46Å; Q195-F197 VanDerWaalsContact O-N 3.12Å
198	F	28	Very low	41.6	Very low	174 Å²	174	133.1 Å²	133.1	76%	0.763	65%	0.648	S	S	*	*			trans	-85.8	116.9	150.6	-72.6	-76.7	0	0	0	106.5	P196 R200	P196-F198 VanDerWaalsContact C-N 3.25Å; P196-F198 HydrophobicContact CB-CD2 4.2Å; P196-F198 HydrophobicContact CB-CE2 4.15Å; P196-F198 PolarHBondContact O-N 3.14Å; F198-R200 PolarHBondContact O-N 3.06Å
199	I	27.1	Very low	39.6	Very low	163 Å²	163	135.6 Å²	135.6	84%	0.836	66%	0.658	S	S	*	*			trans	-58.3	95.5	166.9	-60.1	167.2	0	0	0	106
200	R	27.3	Very low	37.6	Very low	236 Å²	236	138.3 Å²	138.3	89%	0.891	67%	0.67	S	S	*	*			trans	-111.7	121.7	168.7	-144.5	179.8	-160	-172.9	5.7	107.2	F198	F198-R200 PolarHBondContact O-N 3.06Å
201	D	29.9	Very low	35.5	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	70%	0.702	S	S	*	*			trans	-37.1	135.4	-172.1	-66.8	-56.3	0	0	0	116.5	S203	D201-S203 PolarHBondContact O-N 3.43Å
202	N	31.8	Very low	33.9	Very low	166 Å²	166	148.1 Å²	148.1	89%	0.888	73%	0.725	S	S	*	*			trans	17.4	83.1	146.3	-68.5	-18.6	0	0	0	117
203	S	30.2	Very low	32.8	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	71%	0.706	S	S	*	*			trans	-142.2	106.9	152.9	68.9	0	0	0	0	111.8	D201	D201-S203 PolarHBondContact O-N 3.43Å
204	K	28.7	Very low	32.2	Very low	197 Å²	197	141.1 Å²	141.1	86%	0.857	69%	0.693	S	S	*	*			trans	61.5	93.7	157.7	-61.2	179.7	179.9	178.2	0	116.8	N206	K204-N206 PolarHBondContact O-N 3.25Å
205	L	31.2	Very low	32.5	Very low	150 Å²	150	136.8 Å²	136.8	79%	0.785	68%	0.675	S	S	*	*			trans	-68.6	27.7	163.5	-107.5	148.9	0	0	0	114.3
206	N	32.4	Very low	32.8	Very low	138 Å²	138	132.5 Å²	132.5	74%	0.738	66%	0.659	S	S	*	*			trans	-104.7	125.3	173.6	-77.7	11.1	0	0	0	108	K204	K204-N206 PolarHBondContact O-N 3.25Å
207	D	31.1	Very low	33.4	Very low	136 Å²	136	134.5 Å²	134.5	73%	0.727	67%	0.666	S	S	*	*			trans	89.3	44.3	-177.6	-49.9	-28.4	0	0	0	116	Q209	D207-Q209 PolarHBondContact O-N 3.38Å
208	Q	29.2	Very low	34.6	Very low	139 Å²	139	127 Å²	127	65%	0.65	63%	0.632	S	S	*	*			trans	-71.6	65.6	140	-72.4	-174.7	-16	0	0	108.6	F210	Q208-F210 VanDerWaalsContact C-N 3.28Å; Q208-F210 PolarHBondContact O-N 3.07Å
209	Q	29.2	Very low	36.2	Very low	148 Å²	148	120 Å²	120	69%	0.692	60%	0.603	S	S	*	*			trans	-64.7	103.4	156.4	-69	-176.8	4	0	0	104.6	D207 T211	D207-Q209 PolarHBondContact O-N 3.38Å; Q209-T211 PolarHBondContact O-N 3.04Å
210	F	32	Very low	38.3	Very low	182 Å²	182	115.6 Å²	115.6	80%	0.798	58%	0.579	S	S	*	*			trans	-54.1	94.3	169.5	-68.6	-86.5	0	0	0	107.5	Q208 I212	Q208-F210 VanDerWaalsContact C-N 3.28Å; Q208-F210 PolarHBondContact O-N 3.07Å; F210-I212 VanDerWaalsContact C-N 3.29Å; F210-I212 PolarHBondContact O-N 2.65Å
211	T	32.1	Very low	40.8	Very low	107 Å²	107	104.4 Å²	104.4	66%	0.656	54%	0.536	S	S	*	.			trans	-67.2	96.5	170.7	48.3	0	0	0	0	105.5	Q209 N213	Q209-T211 PolarHBondContact O-N 3.04Å; T211-N213 PolarHBondContact O-N 2.88Å
212	I	36	Very low	43.5	Very low	156 Å²	156	100.3 Å²	100.3	80%	0.8	51%	0.514	S	S	*	.			trans	-50.6	117	167.7	-63.7	166.2	0	0	0	105.9	F210	F210-I212 VanDerWaalsContact C-N 3.29Å; F210-I212 PolarHBondContact O-N 2.65Å
213	N	38.6	Very low	46.3	Very low	43 Å²	43	92.4 Å²	92.4	23%	0.23	47%	0.472	C	S	.	.			trans	-52.1	140	-164.4	-99	-42.2	0	0	0	114.2	M188 C190 N191 T211 R215	M188-N213 PolarHBondContact O-ND2 2.89Å; C190-N213 PolarHBondContact N-ND2 3.03Å; C190-N213 VanDerWaalsContact O-CG 3.31Å; C190-N213 PolarHBondContact O-ND2 3.01Å; N191-N213 VanDerWaalsContact OD1-CG 3.27Å; N191-N213 PolarHBondContact OD1-ND2 3.46Å; N191-N213 PolarHBondContact OD1-OD1 3.44Å; T211-N213 PolarHBondContact O-N 2.88Å; N213-R215 PolarHBondContact O-N 3.3Å
214	N	39.3	Very low	49.3	Very low	81 Å²	81	92 Å²	92	43%	0.433	46%	0.46	S	S	.	.			trans	-70.7	20	-179.2	-81.7	-22.5	0	0	0	114.1	K662 E663	N214-K662 HydrophobicContact CB-CD 4.39Å; N214-K662 WeakPolarHBondContact O-CD 3.49Å; N214-K662 WeakPolarHBondContact O-CE 3.45Å; N214-K662 PolarHBondContact O-NZ 3.09Å; N214-E663 PolarHBondContact ND2-OE1 3.43Å
215	R	45.9	Very low	52.3	Low	40 Å²	40	82.6 Å²	82.6	15%	0.151	42%	0.42	C	S	.	.	S	Bend	trans	-79.9	150.4	178.6	-79	-170.6	176.8	152.8	4.8	112.1	L162 S187 D192 N213 L217	L162-R215 PolarHBondContact O-NH2 3.31Å; S187-R215 PolarHBondContact O-NH1 3.36Å; D192-R215 IonicContact OD1-CZ 2.8Å; D192-R215 IonicContact OD1-NE 3.87Å; D192-R215 IonicContact OD1-NH2 2.68Å; D192-R215 PolarHBondContact OD1-NH2 3.26Å; N213-R215 PolarHBondContact O-N 3.3Å; R215-L217 PolarHBondContact O-N 2.9Å
216	P	44	Very low	55.2	Low	42 Å²	42	78.3 Å²	78.3	27%	0.273	40%	0.396	S	S	.	.			trans	-58.6	115.2	173.5	-10	23.7	0	0	0	108.4	Y218	P216-Y218 HydrophobicContact CB-CD2 3.44Å; P216-Y218 VanDerWaalsContact CB-CD2 3.44Å; P216-Y218 HydrophobicContact CB-CE2 4.02Å; P216-Y218 PolarHBondContact O-N 2.77Å
217	L	45.9	Very low	58	Low	113 Å²	113	71.8 Å²	71.8	59%	0.592	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	6	177	-84.9	156.3	0	0	0	115	R215	R215-L217 PolarHBondContact O-N 2.9Å
218	Y	56.8	Low	60.7	Low	17 Å²	17	66.1 Å²	66.1	7%	0.067	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-10.7	-170.8	-50.9	-84.5	0	0	0	113	P216 T246 Q247 Y632 W779	P216-Y218 HydrophobicContact CB-CD2 3.44Å; P216-Y218 VanDerWaalsContact CB-CD2 3.44Å; P216-Y218 HydrophobicContact CB-CE2 4.02Å; P216-Y218 PolarHBondContact O-N 2.77Å; Y218-T246 VanDerWaalsContact O-CA 3.26Å; Y218-T246 WeakPolarHBondContact O-CA 3.07Å; Y218-Q247 PolarHBondContact O-N 3.43Å; Y218-Y632 HydrophobicContact CD1-CD1 4.2Å; Y218-Y632 HydrophobicContact CE1-CD1 4.02Å; Y218-W779 AromaticContact CD1-CH2 3.28Å; Y218-W779 HydrophobicContact CD1-CH2 3.28Å; Y218-W779 HydrophobicContact CD1-CZ2 4.34Å; Y218-W779 AromaticContact CD1-CZ3 3.82Å; Y218-W779 HydrophobicContact CD1-CZ3 3.82Å; Y218-W779 HydrophobicContact CD2-CE3 4.48Å; Y218-W779 AromaticContact CD2-CH2 3.59Å; Y218-W779 HydrophobicContact CD2-CH2 3.59Å; Y218-W779 AromaticContact CD2-CZ3 3.26Å; Y218-W779 HydrophobicContact CD2-CZ3 3.26Å; Y218-W779 AromaticContact CE1-CH2 3.78Å; Y218-W779 HydrophobicContact CE1-CH2 3.78Å; Y218-W779 HydrophobicContact CE1-CZ3 4.44Å; Y218-W779 HydrophobicContact CE2-CH2 4.05Å; Y218-W779 AromaticContact CE2-CZ3 3.95Å; Y218-W779 HydrophobicContact CE2-CZ3 3.95Å; Y218-W779 HydrophobicContact CG-CE3 4.37Å; Y218-W779 AromaticContact CG-CH2 3.13Å; Y218-W779 HydrophobicContact CG-CH2 3.13Å; Y218-W779 HydrophobicContact CG-CZ2 4.4Å; Y218-W779 AromaticContact CG-CZ3 3.13Å; Y218-W779 HydrophobicContact CG-CZ3 3.13Å
219	L	61.3	Low	63.4	Low	27 Å²	27	59.8 Å²	59.8	14%	0.141	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	113.4	179.1	-87.8	155.7	0	0	0	109.7	I245 T246 H769 I777	L219-I245 WeakPolarHBondContact CA-O 3.21Å; L219-T246 HydrophobicContact CD1-CG2 4.36Å; L219-T246 HydrophobicContact CD2-CG2 3.19Å; L219-T246 HydrophobicContact CG-CG2 3.69Å; L219-H769 HydrophobicContact CD1-CB 3.86Å; L219-I777 HydrophobicContact CD1-CG2 4.45Å; L219-I777 HydrophobicContact CD2-CD1 3.85Å
220	Q	71	Confident	65.9	Low	71 Å²	71	56.6 Å²	56.6	33%	0.332	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.9	165.1	177.8	177.9	-17.9	0	0	107.6	M188 D222 S244 I245	M188-Q220 HydrophobicContact CE-CB 4.47Å; M188-Q220 HydrophobicContact CE-CG 4.22Å; Q220-D222 PolarHBondContact NE2-OD2 2.7Å; Q220-S244 WeakPolarHBondContact O-CA 3.4Å; Q220-I245 PolarHBondContact N-O 3.46Å; Q220-I245 PolarHBondContact O-N 3.46Å
221	S	81.1	Confident	67.9	Low	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.7	168.5	86.7	0	0	0	0	111.8	R185 S187 E242 T243 S244	R185-S221 PolarHBondContact NH2-OG 3.02Å; S187-S221 VanDerWaalsContact CB-O 3.29Å; S187-S221 WeakPolarHBondContact CB-O 3.4Å; S187-S221 WeakPolarHBondContact CB-OG 3.48Å; S187-S221 PolarHBondContact N-O 3.41Å; S187-S221 PolarHBondContact OG-N 2.82Å; S187-S221 PolarHBondContact OG-O 3.4Å; S221-E242 WeakPolarHBondContact CB-OE1 3.5Å; S221-E242 PolarHBondContact OG-OE1 3Å; S221-T243 WeakPolarHBondContact CA-O 3.15Å; S221-S244 VanDerWaalsContact CB-OG 3.26Å; S221-S244 WeakPolarHBondContact CB-OG 3.16Å
222	D	86.1	Confident	69.7	Low	48 Å²	48	51.5 Å²	51.5	26%	0.257	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.3	173.1	-74.2	-52.6	0	0	0	108.3	N186 Q220 E242 T243	N186-D222 WeakPolarHBondContact CB-OD1 3.33Å; N186-D222 PolarHBondContact ND2-OD1 2.72Å; Q220-D222 PolarHBondContact NE2-OD2 2.7Å; D222-E242 CarbonylContact O-C 3.52Å; D222-E242 VanDerWaalsContact O-CA 3.22Å; D222-E242 WeakPolarHBondContact O-CA 3.39Å; D222-T243 PolarHBondContact N-O 2.59Å; D222-T243 VanDerWaalsContact N-O 3.09Å; D222-T243 PolarHBondContact O-N 2.79Å
223	L	91	Very high	71.7	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.6	-179.8	177.6	78.5	0	0	0	109.7	K184 R185 C240 Q241 E242 L772	K184-L223 WeakPolarHBondContact CA-O 3.32Å; R185-L223 HydrophobicContact CB-CB 4.24Å; R185-L223 HydrophobicContact CB-CD2 4.3Å; R185-L223 PolarHBondContact N-O 3.22Å; R185-L223 PolarHBondContact O-N 3.03Å; L223-C240 HydrophobicContact CD1-CB 4.29Å; L223-Q241 WeakPolarHBondContact CA-O 3.49Å; L223-E242 HydrophobicContact CD1-CB 3.99Å; L223-L772 HydrophobicContact CD1-CB 4.1Å; L223-L772 HydrophobicContact CD1-CD1 4.33Å; L223-L772 HydrophobicContact CD1-CD2 3.97Å; L223-L772 HydrophobicContact CD1-CG 4.37Å
224	I	92.4	Very high	73.8	Confident	95 Å²	95	42.7 Å²	42.7	49%	0.487	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.4	171.6	-55.8	176.4	0	0	0	108.2	I182 K183 C240 Q241	I182-I224 HydrophobicContact CG2-CG2 3.93Å; K183-I224 CarbonylContact O-C 3.59Å; K183-I224 WeakPolarHBondContact O-CA 3.41Å; I224-C240 CarbonylContact O-C 3.53Å; I224-C240 WeakPolarHBondContact O-CA 3.28Å; I224-Q241 PolarHBondContact N-O 3.4Å; I224-Q241 PolarHBondContact O-N 2.84Å
225	C	92.8	Very high	76.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.6	180	-69	0	0	0	0	111.3	Q142 I182 K183 L227 N239 C240	Q142-C225 PolarHBondContact OE1-SG 3.05Å; I182-C225 CarbonylContact C-O 3.58Å; I182-C225 VanDerWaalsContact CA-O 3.28Å; I182-C225 WeakPolarHBondContact CA-O 3.27Å; K183-C225 HydrophobicContact CB-CB 4.09Å; K183-C225 PolarHBondContact N-O 3.03Å; K183-C225 PolarHBondContact O-N 3.32Å; C225-L227 HydrophobicContact CB-CG 4.48Å; C225-N239 CarbonylContact C-O 3.57Å; C225-N239 WeakPolarHBondContact CA-O 3.37Å; C225-C240 HydrophobicContact CB-CB 4.09Å; C225-C240 WeakPolarHBondContact CB-SG 3.2Å; C225-C240 WeakPolarHBondContact SG-CB 3.35Å; C225-C240 CovalentContact SG-SG 2.03Å; C225-C240 PolarHBondContact SG-SG 2.8Å
226	E	92.2	Very high	78.1	Confident	61 Å²	61	38.5 Å²	38.5	29%	0.285	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.3	167.6	-176	168.1	177.1	0	0	109.4	K172 V238 N239	K172-E226 HydrophobicContact CD-CG 4.5Å; K172-E226 WeakPolarHBondContact CD-OE1 3.49Å; K172-E226 IonicContact NZ-OE1 3.75Å; K172-E226 PolarHBondContact NZ-OE1 3.15Å; K172-E226 IonicContact NZ-OE2 2.8Å; K172-E226 PolarHBondContact NZ-OE2 3.36Å; E226-V238 WeakPolarHBondContact O-CA 3.4Å; E226-N239 PolarHBondContact N-O 2.72Å; E226-N239 PolarHBondContact O-N 3.34Å
227	L	90	Very high	80.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.8	-175.8	-60.9	168.3	0	0	0	109.3	Y169 T180 M181 K183 C225 V238	Y169-L227 HydrophobicContact CE1-CD1 3.94Å; T180-L227 CarbonylContact C-O 3.56Å; T180-L227 VanDerWaalsContact CA-O 3.24Å; T180-L227 WeakPolarHBondContact CA-O 3.22Å; M181-L227 PolarHBondContact N-O 3.2Å; M181-L227 PolarHBondContact O-N 3.38Å; K183-L227 HydrophobicContact CB-CD1 3.88Å; K183-L227 HydrophobicContact CD-CD1 4.05Å; C225-L227 HydrophobicContact CB-CG 4.48Å; L227-V238 HydrophobicContact CD2-CB 3.9Å; L227-V238 HydrophobicContact CD2-CG1 3.45Å; L227-V238 VanDerWaalsContact CD2-CG1 3.45Å; L227-V238 HydrophobicContact CD2-CG2 3.51Å
228	T	88.9	Confident	82.6	Confident	18 Å²	18	33.9 Å²	33.9	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.6	176.3	69	0	0	0	0	109.6	V179 T180 I235 T236 N237	V179-T228 WeakPolarHBondContact O-CA 3.25Å; T180-T228 HydrophobicContact CG2-CG2 3.38Å; T228-I235 CarbonylContact O-C 3.55Å; T228-I235 WeakPolarHBondContact O-CG2 3.46Å; T228-T236 PolarHBondContact O-N 3.15Å; T228-T236 PolarHBondContact O-OG1 3.4Å; T228-T236 VanDerWaalsContact O-OG1 3.05Å; T228-T236 PolarHBondContact OG1-OG1 3.05Å; T228-N237 PolarHBondContact N-O 3.49Å; T228-N237 PolarHBondContact O-N 2.84Å; T228-N237 WeakPolarHBondContact OG1-CA 3.35Å; T228-N237 VanDerWaalsContact OG1-CB 3.26Å; T228-N237 WeakPolarHBondContact OG1-CB 3.36Å; T228-N237 PolarHBondContact OG1-N 3.15Å; T228-N237 PolarHBondContact OG1-O 3.41Å; T228-N237 VanDerWaalsContact OG1-O 3.08Å
229	H	84.8	Confident	84.5	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.028	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	153	179.8	68.5	-78.7	0	0	0	111.6	V26 M145 T178 V179 I235	V26-H229 WeakPolarHBondContact CG1-NE2 3.01Å; V26-H229 PolarHBondContact O-CD2 2.8Å; M145-H229 HydrophobicContact CE-CB 4.02Å; T178-H229 CarbonylContact C-O 3.5Å; T178-H229 VanDerWaalsContact CA-O 3.22Å; T178-H229 WeakPolarHBondContact CA-O 3.15Å; V179-H229 VanDerWaalsContact CB-CE1 3.4Å; V179-H229 WeakPolarHBondContact CB-CE1 3.49Å; V179-H229 PolarHBondContact N-O 3.41Å; V179-H229 PolarHBondContact O-N 3.4Å; V179-H229 PolarHBondContact O-ND1 3.16Å; V179-H229 VanDerWaalsContact O-ND1 3.13Å; H229-I235 HydrophobicContact CB-CG1 4.3Å
230	K	81.6	Confident	86	Confident	81 Å²	81	34.5 Å²	34.5	35%	0.352	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	145.8	169.6	-70.6	172.4	-178.2	174	0	109.7	N232 G233 P234 T236 E272	K230-N232 PolarHBondContact O-N 3.26Å; K230-N232 VanDerWaalsContact O-N 3.16Å; K230-G233 PolarHBondContact O-N 2.95Å; K230-P234 PolarHBondContact N-O 2.91Å; K230-T236 HydrophobicContact CD-CG2 4.1Å; K230-T236 HydrophobicContact CG-CG2 3.76Å; K230-E272 IonicContact NZ-OE1 3.79Å; K230-E272 PolarHBondContact NZ-OE1 2.8Å; K230-E272 IonicContact NZ-OE2 2.73Å
231	L	73.2	Confident	87.1	Confident	72 Å²	72	35.9 Å²	35.9	38%	0.377	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	120.7	172.5	-69.9	171.2	0	0	0	110.6	Y150 S176 H177 V179 G233	Y150-L231 HydrophobicContact CE2-CD2 4.11Å; Y150-L231 WeakPolarHBondContact OH-CD2 3.41Å; S176-L231 WeakPolarHBondContact O-CD1 3.09Å; H177-L231 PolarHBondContact O-N 3.48Å; H177-L231 VanDerWaalsContact O-N 3.16Å; V179-L231 HydrophobicContact CG2-CD2 4.1Å; L231-G233 PolarHBondContact O-N 3.31Å; L231-G233 VanDerWaalsContact O-N 3.15Å
232	N	71.5	Confident	87.5	Confident	109 Å²	109	35.9 Å²	35.9	58%	0.583	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	25.6	-175.2	-61.5	-14.5	0	0	0	114.6	I25 K230	I25-N232 PolarHBondContact O-OD1 3.39Å; K230-N232 PolarHBondContact O-N 3.26Å; K230-N232 VanDerWaalsContact O-N 3.16Å
233	G	78	Confident	87.5	Confident	10 Å²	10	35.5 Å²	35.5	10%	0.103	19%	0.185	C	C	.	.	S	Bend	trans	-125.4	-171.7	-177.7	0	0	0	0	0	113.1	T27 R28 K230 L231	T27-G233 WeakPolarHBondContact CA-O 3.42Å; R28-G233 PolarHBondContact N-O 2.84Å; K230-G233 PolarHBondContact O-N 2.95Å; L231-G233 PolarHBondContact O-N 3.31Å; L231-G233 VanDerWaalsContact O-N 3.15Å
234	P	83.1	Confident	87	Confident	5 Å²	5	35.5 Å²	35.5	3%	0.032	19%	0.185	C	C	.	.			trans	-71.8	163	176.8	32.4	-38.3	0	0	0	111.9	F29 Y35 K230 L269	F29-P234 HydrophobicContact CD1-CB 4.17Å; F29-P234 HydrophobicContact CE1-CB 3.93Å; Y35-P234 HydrophobicContact CD1-CB 4.19Å; Y35-P234 HydrophobicContact CD1-CG 4.13Å; Y35-P234 HydrophobicContact CE1-CB 4.04Å; Y35-P234 HydrophobicContact CE1-CG 3.75Å; K230-P234 PolarHBondContact N-O 2.91Å; P234-L269 HydrophobicContact CB-CD2 4.39Å; P234-L269 HydrophobicContact CG-CD2 3.81Å
235	I	86.8	Confident	86	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.4	167.4	-61.3	175.9	0	0	0	108.4	T27 Y37 L143 M145 T228 H229 V238	T27-I235 HydrophobicContact CG2-CD1 4.14Å; T27-I235 HydrophobicContact CG2-CG1 3.64Å; Y37-I235 VanDerWaalsContact CE1-O 3.26Å; Y37-I235 WeakPolarHBondContact CE1-O 3.44Å; Y37-I235 PolarHBondContact OH-O 3.38Å; L143-I235 HydrophobicContact CD2-CB 4.36Å; L143-I235 HydrophobicContact CD2-CG2 4.42Å; L143-I235 WeakPolarHBondContact O-CD1 3.48Å; M145-I235 HydrophobicContact CB-CD1 4.33Å; M145-I235 HydrophobicContact CE-CG1 4.43Å; T228-I235 CarbonylContact O-C 3.55Å; T228-I235 WeakPolarHBondContact O-CG2 3.46Å; H229-I235 HydrophobicContact CB-CG1 4.3Å; I235-V238 HydrophobicContact CG2-CG2 3.46Å; I235-V238 VanDerWaalsContact CG2-CG2 3.46Å
236	T	88.3	Confident	84.6	Confident	31 Å²	31	34.7 Å²	34.7	19%	0.19	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-39.6	-177.6	44.6	0	0	0	0	113.5	T228 K230 L269	T228-T236 PolarHBondContact O-N 3.15Å; T228-T236 PolarHBondContact O-OG1 3.4Å; T228-T236 VanDerWaalsContact O-OG1 3.05Å; T228-T236 PolarHBondContact OG1-OG1 3.05Å; K230-T236 HydrophobicContact CD-CG2 4.1Å; K230-T236 HydrophobicContact CG-CG2 3.76Å; T236-L269 HydrophobicContact CG2-CD2 4.37Å; T236-L269 PolarHBondContact O-N 2.86Å
237	N	92	Very high	83	Confident	59 Å²	59	34.9 Å²	34.9	32%	0.316	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	133.6	-179.5	167.1	22.7	0	0	0	109.9	T228 I267 N268	T228-N237 PolarHBondContact N-O 3.49Å; T228-N237 PolarHBondContact O-N 2.84Å; T228-N237 WeakPolarHBondContact OG1-CA 3.35Å; T228-N237 VanDerWaalsContact OG1-CB 3.26Å; T228-N237 WeakPolarHBondContact OG1-CB 3.36Å; T228-N237 PolarHBondContact OG1-N 3.15Å; T228-N237 PolarHBondContact OG1-O 3.41Å; T228-N237 VanDerWaalsContact OG1-O 3.08Å; N237-I267 CarbonylContact C-O 3.59Å; N237-I267 WeakPolarHBondContact CA-O 3.39Å; N237-N268 WeakPolarHBondContact CB-OD1 3.37Å; N237-N268 PolarHBondContact OD1-OD1 2.81Å
238	V	92.5	Very high	81.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125	173.6	-179.9	0	0	0	0	108.5	Q142 L143 E226 L227 I235 C240 Q266 I267	Q142-V238 HydrophobicContact CB-CG1 4.15Å; L143-V238 HydrophobicContact CD2-CG2 4.19Å; E226-V238 WeakPolarHBondContact O-CA 3.4Å; L227-V238 HydrophobicContact CD2-CB 3.9Å; L227-V238 HydrophobicContact CD2-CG1 3.45Å; L227-V238 VanDerWaalsContact CD2-CG1 3.45Å; L227-V238 HydrophobicContact CD2-CG2 3.51Å; I235-V238 HydrophobicContact CG2-CG2 3.46Å; I235-V238 VanDerWaalsContact CG2-CG2 3.46Å; V238-C240 VanDerWaalsContact CG1-SG 3.53Å; V238-Q266 CarbonylContact O-C 3.6Å; V238-Q266 VanDerWaalsContact O-CA 3.31Å; V238-Q266 WeakPolarHBondContact O-CA 3.34Å; V238-I267 HydrophobicContact CB-CB 4.02Å; V238-I267 HydrophobicContact CB-CD1 4.32Å; V238-I267 HydrophobicContact CB-CG1 4.34Å; V238-I267 HydrophobicContact CG1-CD1 4.4Å; V238-I267 HydrophobicContact CG2-CB 4.38Å; V238-I267 PolarHBondContact N-O 2.81Å; V238-I267 PolarHBondContact O-N 2.79Å
239	N	95.2	Very high	79.4	Confident	56 Å²	56	35.7 Å²	35.7	30%	0.299	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	108.7	172.3	-174.7	49.1	0	0	0	109.6	C225 E226 N264 M265 Q266	C225-N239 CarbonylContact C-O 3.57Å; C225-N239 WeakPolarHBondContact CA-O 3.37Å; E226-N239 PolarHBondContact N-O 2.72Å; E226-N239 PolarHBondContact O-N 3.34Å; N239-N264 PolarHBondContact OD1-OD1 3.14Å; N239-M265 CarbonylContact C-O 3.58Å; N239-M265 WeakPolarHBondContact CA-O 3.42Å; N239-Q266 VanDerWaalsContact OD1-CG 3.3Å; N239-Q266 WeakPolarHBondContact OD1-CG 3.28Å
240	C	94.7	Very high	77.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.6	-174.2	-72.3	0	0	0	0	111.6	Q142 L223 I224 C225 V238 N264 M265 L772	Q142-C240 PolarHBondContact OE1-SG 2.96Å; L223-C240 HydrophobicContact CD1-CB 4.29Å; I224-C240 CarbonylContact O-C 3.53Å; I224-C240 WeakPolarHBondContact O-CA 3.28Å; C225-C240 HydrophobicContact CB-CB 4.09Å; C225-C240 WeakPolarHBondContact CB-SG 3.2Å; C225-C240 WeakPolarHBondContact SG-CB 3.35Å; C225-C240 CovalentContact SG-SG 2.03Å; C225-C240 PolarHBondContact SG-SG 2.8Å; V238-C240 VanDerWaalsContact CG1-SG 3.53Å; C240-N264 CarbonylContact O-C 3.59Å; C240-N264 VanDerWaalsContact O-CA 3.31Å; C240-N264 WeakPolarHBondContact O-CA 2.99Å; C240-N264 PolarHBondContact O-OD1 2.81Å; C240-M265 HydrophobicContact CB-CB 4.29Å; C240-M265 PolarHBondContact N-O 2.03Å; C240-M265 PolarHBondContact O-N 2.8Å; C240-L772 HydrophobicContact CB-CD1 3.87Å
241	Q	92.8	Very high	75.2	Confident	100 Å²	100	41.4 Å²	41.4	47%	0.467	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.9	172.3	-174.1	175.6	-5.8	0	0	109.4	L223 I224 T243 V263	L223-Q241 WeakPolarHBondContact CA-O 3.49Å; I224-Q241 PolarHBondContact N-O 3.4Å; I224-Q241 PolarHBondContact O-N 2.84Å; Q241-T243 HydrophobicContact CG-CG2 4.45Å; Q241-V263 CarbonylContact C-O 3.6Å; Q241-V263 WeakPolarHBondContact CA-O 2.99Å
242	E	90.8	Very high	73.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.1	166.7	-175.8	172.3	-144.4	0	0	109.8	H161 R185 S221 D222 L223 N262 V263 L772	H161-E242 IonicContact NE2-OE1 2.89Å; R185-E242 IonicContact NH2-OE1 2.59Å; R185-E242 PolarHBondContact NH2-OE1 3.33Å; S221-E242 WeakPolarHBondContact CB-OE1 3.5Å; S221-E242 PolarHBondContact OG-OE1 3Å; D222-E242 CarbonylContact O-C 3.52Å; D222-E242 VanDerWaalsContact O-CA 3.22Å; D222-E242 WeakPolarHBondContact O-CA 3.39Å; L223-E242 HydrophobicContact CD1-CB 3.99Å; E242-N262 CarbonylContact O-C 3.42Å; E242-N262 WeakPolarHBondContact O-CA 3.45Å; E242-V263 PolarHBondContact N-O 2.86Å; E242-V263 PolarHBondContact O-N 2.75Å; E242-L772 HydrophobicContact CB-CD2 3.12Å; E242-L772 HydrophobicContact CB-CG 4.38Å; E242-L772 HydrophobicContact CG-CD2 4.24Å; E242-L772 WeakPolarHBondContact OE2-CB 3.11Å; E242-L772 WeakPolarHBondContact OE2-CD2 3.32Å; E242-L772 PolarHBondContact OE2-N 3.26Å
243	T	85.3	Confident	71.7	Confident	41 Å²	41	44.5 Å²	44.5	25%	0.252	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.6	171.7	58.4	0	0	0	0	108.1	S221 D222 Q241 N262	S221-T243 WeakPolarHBondContact CA-O 3.15Å; D222-T243 PolarHBondContact N-O 2.59Å; D222-T243 VanDerWaalsContact N-O 3.09Å; D222-T243 PolarHBondContact O-N 2.79Å; Q241-T243 HydrophobicContact CG-CG2 4.45Å; T243-N262 WeakPolarHBondContact CG2-OD1 3.36Å
244	S	80.7	Confident	69.9	Low	1 Å²	1	47.9 Å²	47.9	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.1	176.4	-64.7	0	0	0	0	109.9	Q220 S221 T260 L261	Q220-S244 WeakPolarHBondContact O-CA 3.4Å; S221-S244 VanDerWaalsContact CB-OG 3.26Å; S221-S244 WeakPolarHBondContact CB-OG 3.16Å; S244-T260 WeakPolarHBondContact O-CA 3.49Å; S244-L261 PolarHBondContact N-O 2.81Å; S244-L261 PolarHBondContact O-N 3.3Å
245	I	70.2	Confident	68	Low	66 Å²	66	51.3 Å²	51.3	34%	0.338	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.6	-179.3	-50.3	-178.1	0	0	0	109	L219 Q220 T258 T260	L219-I245 WeakPolarHBondContact CA-O 3.21Å; Q220-I245 PolarHBondContact N-O 3.46Å; Q220-I245 PolarHBondContact O-N 3.46Å; I245-T258 HydrophobicContact CG2-CG2 4.38Å; I245-T260 HydrophobicContact CG1-CG2 4.14Å; I245-T260 HydrophobicContact CG2-CG2 4.26Å
246	T	65	Low	66	Low	12 Å²	12	56.4 Å²	56.4	7%	0.074	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.7	168.9	64.7	0	0	0	0	111.4	Y218 L219 T258 L259	Y218-T246 VanDerWaalsContact O-CA 3.26Å; Y218-T246 WeakPolarHBondContact O-CA 3.07Å; L219-T246 HydrophobicContact CD1-CG2 4.36Å; L219-T246 HydrophobicContact CD2-CG2 3.19Å; L219-T246 HydrophobicContact CG-CG2 3.69Å; T246-T258 WeakPolarHBondContact O-CA 3.06Å; T246-L259 PolarHBondContact N-O 2.68Å; T246-L259 PolarHBondContact O-N 2.84Å; T246-L259 VanDerWaalsContact OG1-CB 3.26Å; T246-L259 WeakPolarHBondContact OG1-CB 3.44Å; T246-L259 PolarHBondContact OG1-N 3.18Å; T246-L259 PolarHBondContact OG1-O 3.27Å
247	Q	57.8	Low	64.4	Low	65 Å²	65	55 Å²	55	30%	0.304	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.7	171.3	-68.5	-179.3	9.6	0	0	110.8	Y218 T258	Y218-Q247 PolarHBondContact O-N 3.43Å; Q247-T258 HydrophobicContact CG-CG2 4.35Å
248	Q	51.9	Low	62.9	Low	11 Å²	11	53.6 Å²	53.6	5%	0.051	28%	0.28	C	S	.	.			trans	-95.4	79.4	-176.6	-61.6	-179.6	-1.4	0	0	113.8	L259	Q248-L259 VanDerWaalsContact NE2-CD1 3.34Å
249	Q	50.5	Low	61.9	Low	24 Å²	24	53.8 Å²	53.8	11%	0.112	28%	0.281	C	S	.	.			trans	-149	148.2	171.7	-68.8	-174.4	-27.6	0	0	117.4	F254 Y632	Q249-F254 PolarHBondContact NE2-O 3.13Å; Q249-Y632 HydrophobicContact CB-CE2 3.99Å; Q249-Y632 WeakPolarHBondContact CB-OH 3.47Å; Q249-Y632 PolarHBondContact OE1-OH 2.84Å
250	W	41.7	Very low	61.1	Low	66 Å²	66	51.7 Å²	51.7	25%	0.25	27%	0.27	C	S	.	.	S	Bend	trans	-119	-16.8	156.9	-64.4	-23.8	0	0	0	113.6	W763 T781 V783 T814	W250-W763 HydrophobicContact CZ2-CE3 4.42Å; W250-W763 HydrophobicContact CZ2-CZ3 4.42Å; W250-T781 HydrophobicContact CZ2-CG2 4.39Å; W250-V783 HydrophobicContact CE3-CG2 4.47Å; W250-V783 HydrophobicContact CH2-CB 4.43Å; W250-V783 HydrophobicContact CH2-CG2 3.01Å; W250-V783 HydrophobicContact CZ2-CG2 4.01Å; W250-V783 HydrophobicContact CZ3-CB 4.41Å; W250-V783 HydrophobicContact CZ3-CG1 4.29Å; W250-V783 HydrophobicContact CZ3-CG2 3.26Å; W250-T814 HydrophobicContact CE3-CG2 4.09Å; W250-T814 HydrophobicContact CZ3-CG2 3.51Å
251	F	37.2	Very low	60.7	Low	140 Å²	140	52.1 Å²	52.1	61%	0.614	27%	0.272	S	S	*	.			trans	-132.5	132.6	-176.3	-67.7	-78.4	0	0	0	112.6	S253	F251-S253 VanDerWaalsContact C-N 3.27Å; F251-S253 PolarHBondContact O-N 3.37Å
252	L	34.3	Very low	60.5	Low	140 Å²	140	48.6 Å²	48.6	73%	0.733	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-14.4	-173.8	-80	137.2	0	0	0	115.3
253	S	36.3	Very low	60.4	Low	106 Å²	106	48.6 Å²	48.6	74%	0.741	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	5.6	-166.6	-53.4	0	0	0	0	116	F251	F251-S253 VanDerWaalsContact C-N 3.27Å; F251-S253 PolarHBondContact O-N 3.37Å
254	F	40.7	Very low	60.8	Low	82 Å²	82	48.8 Å²	48.8	36%	0.36	26%	0.256	S	S	.	.	S	Bend	trans	-131.3	147.9	-178.9	-58.9	-74.1	0	0	0	112.5	Q249 L928	Q249-F254 PolarHBondContact NE2-O 3.13Å; F254-L928 HydrophobicContact CE1-CD1 4.43Å
255	S	44.1	Very low	61.4	Low	76 Å²	76	48.8 Å²	48.8	53%	0.531	26%	0.256	S	S	.	.			trans	-53.2	139.5	-171.6	51.8	0	0	0	0	113.9	N257	S255-N257 PolarHBondContact O-N 2.96Å
256	I	43.7	Very low	62.6	Low	109 Å²	109	48.8 Å²	48.8	56%	0.559	26%	0.255	S	S	*	.			trans	-76.3	113.2	-176.6	-55.3	162.6	0	0	0	109	T258	I256-T258 HydrophobicContact CG2-CG2 3.93Å
257	N	54.8	Low	64	Low	2 Å²	2	48.2 Å²	48.2	1%	0.011	25%	0.251	C	S	.	.			trans	-97.7	125.6	164.3	-67.4	13.9	0	0	0	107.4	Y49 S255 K875	Y49-N257 WeakPolarHBondContact CD2-OD1 2.91Å; S255-N257 PolarHBondContact O-N 2.96Å; N257-K875 PolarHBondContact ND2-NZ 3.47Å
258	T	61.7	Low	65.8	Low	29 Å²	29	48 Å²	48	18%	0.178	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.3	171.7	58	0	0	0	0	108.4	S48 I245 T246 Q247 I256	S48-T258 VanDerWaalsContact CB-OG1 3.25Å; S48-T258 WeakPolarHBondContact CB-OG1 3.33Å; S48-T258 PolarHBondContact N-O 3.42Å; S48-T258 VanDerWaalsContact N-O 3.12Å; S48-T258 PolarHBondContact OG-N 2.83Å; S48-T258 PolarHBondContact OG-O 2.93Å; S48-T258 PolarHBondContact OG-OG1 3.14Å; I245-T258 HydrophobicContact CG2-CG2 4.38Å; T246-T258 WeakPolarHBondContact O-CA 3.06Å; Q247-T258 HydrophobicContact CG-CG2 4.35Å; I256-T258 HydrophobicContact CG2-CG2 3.93Å
259	L	70.5	Confident	67.7	Low	4 Å²	4	49.1 Å²	49.1	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.2	164.7	-56.6	155.3	0	0	0	107.3	L45 N47 T246 Q248 V818 F830	L45-L259 HydrophobicContact CD1-CB 4.36Å; N47-L259 HydrophobicContact CB-CD2 4.02Å; T246-L259 PolarHBondContact N-O 2.68Å; T246-L259 PolarHBondContact O-N 2.84Å; T246-L259 VanDerWaalsContact OG1-CB 3.26Å; T246-L259 WeakPolarHBondContact OG1-CB 3.44Å; T246-L259 PolarHBondContact OG1-N 3.18Å; T246-L259 PolarHBondContact OG1-O 3.27Å; Q248-L259 VanDerWaalsContact NE2-CD1 3.34Å; L259-V818 HydrophobicContact CD1-CB 4.02Å; L259-V818 HydrophobicContact CD1-CG1 4.27Å; L259-V818 HydrophobicContact CD1-CG2 4.06Å; L259-F830 HydrophobicContact CD1-CB 3.87Å; L259-F830 HydrophobicContact CD1-CD1 3.69Å; L259-F830 HydrophobicContact CD1-CE1 4.45Å; L259-F830 HydrophobicContact CD1-CG 3.94Å; L259-F830 HydrophobicContact CD2-CB 3.89Å; L259-F830 HydrophobicContact CD2-CD1 4.08Å; L259-F830 HydrophobicContact CD2-CD2 3.96Å; L259-F830 HydrophobicContact CD2-CE2 4.48Å; L259-F830 HydrophobicContact CD2-CG 3.71Å; L259-F830 HydrophobicContact CG-CD1 4.35Å; L259-F830 HydrophobicContact CG-CG 4.41Å
260	T	79.5	Confident	69.6	Low	12 Å²	12	52 Å²	52	7%	0.074	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.4	178.7	41.8	0	0	0	0	107.1	Y46 S244 I245	Y46-T260 WeakPolarHBondContact CD1-OG1 3.35Å; Y46-T260 WeakPolarHBondContact CD2-OG1 3.45Å; Y46-T260 WeakPolarHBondContact CE1-OG1 3.45Å; Y46-T260 HydrophobicContact CE2-CG2 4.35Å; Y46-T260 WeakPolarHBondContact CE2-OG1 3.27Å; Y46-T260 PolarHBondContact N-O 2.68Å; Y46-T260 VanDerWaalsContact N-O 3.11Å; Y46-T260 PolarHBondContact O-N 3.15Å; Y46-T260 PolarHBondContact O-OG1 3.24Å; Y46-T260 PolarHBondContact OH-OG1 2.88Å; S244-T260 WeakPolarHBondContact O-CA 3.49Å; I245-T260 HydrophobicContact CG1-CG2 4.14Å; I245-T260 HydrophobicContact CG2-CG2 4.26Å
261	L	85	Confident	71.8	Confident	8 Å²	8	50.2 Å²	50.2	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116.1	172.6	-177.6	78	0	0	0	107.8	E44 L45 S244 V263 L771 I777 L820 F828	E44-L261 CarbonylContact O-C 3.58Å; E44-L261 WeakPolarHBondContact O-CA 3.19Å; L45-L261 HydrophobicContact CB-CD1 4.03Å; L45-L261 HydrophobicContact CD1-CB 4.11Å; L45-L261 HydrophobicContact CD1-CD1 3.98Å; S244-L261 PolarHBondContact N-O 2.81Å; S244-L261 PolarHBondContact O-N 3.3Å; L261-V263 HydrophobicContact CD2-CG2 4.03Å; L261-V263 HydrophobicContact CG-CG2 4.1Å; L261-L771 HydrophobicContact CD2-CD1 3.4Å; L261-L771 VanDerWaalsContact CD2-CD1 3.4Å; L261-L771 HydrophobicContact CD2-CD2 3.9Å; L261-L771 HydrophobicContact CD2-CG 4.29Å; L261-I777 HydrophobicContact CD2-CD1 3.67Å; L261-I777 HydrophobicContact CD2-CG1 3.85Å; L261-L820 HydrophobicContact CD2-CD1 4.27Å; L261-F828 HydrophobicContact CD1-CE2 4.24Å; L261-F828 HydrophobicContact CD1-CZ 4.27Å
262	N	88.3	Confident	74.2	Confident	26 Å²	26	46.9 Å²	46.9	14%	0.139	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127	172.1	-68.6	-7.4	0	0	0	108.3	E44 E242 T243	E44-N262 HydrophobicContact CB-CB 4.39Å; E44-N262 PolarHBondContact N-O 3.44Å; E44-N262 PolarHBondContact O-N 2.92Å; E242-N262 CarbonylContact O-C 3.42Å; E242-N262 WeakPolarHBondContact O-CA 3.45Å; T243-N262 WeakPolarHBondContact CG2-OD1 3.36Å
263	V	90.4	Very high	76.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.6	174	-175.6	0	0	0	0	107.5	I41 I42 Q241 E242 L261 L771 L772	I41-V263 HydrophobicContact CG2-CG1 3.92Å; I42-V263 CarbonylContact O-C 3.49Å; I42-V263 WeakPolarHBondContact O-CA 3.49Å; Q241-V263 CarbonylContact C-O 3.6Å; Q241-V263 WeakPolarHBondContact CA-O 2.99Å; E242-V263 PolarHBondContact N-O 2.86Å; E242-V263 PolarHBondContact O-N 2.75Å; L261-V263 HydrophobicContact CD2-CG2 4.03Å; L261-V263 HydrophobicContact CG-CG2 4.1Å; V263-L771 HydrophobicContact CG2-CD1 4.26Å; V263-L772 HydrophobicContact CB-CD2 3.64Å; V263-L772 HydrophobicContact CG1-CD2 3.62Å; V263-L772 HydrophobicContact CG1-CG 4.02Å
264	N	92.9	Very high	79.1	Confident	46 Å²	46	44 Å²	44	25%	0.246	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.1	175.3	-171.3	11.3	0	0	0	109.3	I41 I42 N239 C240	I41-N264 CarbonylContact C-O 3.55Å; I41-N264 WeakPolarHBondContact CA-O 3.46Å; I42-N264 HydrophobicContact CB-CB 4.4Å; I42-N264 PolarHBondContact N-O 2.84Å; I42-N264 PolarHBondContact O-N 2.78Å; N239-N264 PolarHBondContact OD1-OD1 3.14Å; C240-N264 CarbonylContact O-C 3.59Å; C240-N264 VanDerWaalsContact O-CA 3.31Å; C240-N264 WeakPolarHBondContact O-CA 2.99Å; C240-N264 PolarHBondContact O-OD1 2.81Å
265	M	94	Very high	81.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.4	-178.9	179.9	173.3	-162.4	0	0	110.4	K40 I41 L139 Q142 N239 C240 I267 L772	K40-M265 WeakPolarHBondContact O-CA 3.32Å; I41-M265 HydrophobicContact CD1-CE 4.09Å; I41-M265 HydrophobicContact CG1-CB 4.49Å; I41-M265 HydrophobicContact CG1-CE 4.3Å; I41-M265 HydrophobicContact CG1-CG 4.06Å; I41-M265 HydrophobicContact CG1-SD 4.5Å; L139-M265 HydrophobicContact CB-CE 4.44Å; L139-M265 HydrophobicContact CD2-CE 3.24Å; L139-M265 HydrophobicContact CG-CE 3.76Å; Q142-M265 HydrophobicContact CB-SD 4.4Å; Q142-M265 HydrophobicContact CG-CE 4.46Å; Q142-M265 HydrophobicContact CG-SD 3.63Å; N239-M265 CarbonylContact C-O 3.58Å; N239-M265 WeakPolarHBondContact CA-O 3.42Å; C240-M265 HydrophobicContact CB-CB 4.29Å; C240-M265 PolarHBondContact N-O 2.03Å; C240-M265 PolarHBondContact O-N 2.8Å; M265-I267 HydrophobicContact CE-CD1 3.76Å; M265-I267 HydrophobicContact CE-CG1 4.03Å; M265-I267 HydrophobicContact CG-CG1 4.21Å; M265-I267 HydrophobicContact SD-CD1 4.4Å; M265-L772 HydrophobicContact CB-CD1 3.49Å; M265-L772 VanDerWaalsContact CB-CD1 3.49Å; M265-L772 HydrophobicContact CG-CD1 4.17Å; M265-L772 HydrophobicContact SD-CD1 3.6Å; M265-L772 VanDerWaalsContact SD-CD1 3.6Å
266	Q	95.3	Very high	82.6	Confident	66 Å²	66	44.6 Å²	44.6	31%	0.308	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.4	178.3	-68.1	176.3	-5.1	0	0	109.1	W39 K40 V238 N239	W39-Q266 CarbonylContact C-O 3.6Å; W39-Q266 WeakPolarHBondContact CA-O 3.24Å; K40-Q266 PolarHBondContact N-O 2.8Å; K40-Q266 PolarHBondContact O-N 2.77Å; V238-Q266 CarbonylContact O-C 3.6Å; V238-Q266 VanDerWaalsContact O-CA 3.31Å; V238-Q266 WeakPolarHBondContact O-CA 3.34Å; N239-Q266 VanDerWaalsContact OD1-CG 3.3Å; N239-Q266 WeakPolarHBondContact OD1-CG 3.28Å
267	I	94.2	Very high	84.1	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	115.3	175.7	-45.7	170.8	0	0	0	108	Y37 K38 W39 L139 Q142 L143 N237 V238 M265	Y37-I267 HydrophobicContact CD1-CG2 3.69Å; Y37-I267 HydrophobicContact CG-CG2 4.05Å; K38-I267 WeakPolarHBondContact O-CA 3.45Å; W39-I267 HydrophobicContact CB-CG1 4.39Å; L139-I267 HydrophobicContact CD2-CD1 3.87Å; L139-I267 HydrophobicContact CD2-CG1 4.06Å; Q142-I267 HydrophobicContact CB-CD1 3.71Å; L143-I267 HydrophobicContact CD2-CG2 4.26Å; L143-I267 HydrophobicContact CG-CD1 4.4Å; N237-I267 CarbonylContact C-O 3.59Å; N237-I267 WeakPolarHBondContact CA-O 3.39Å; V238-I267 HydrophobicContact CB-CB 4.02Å; V238-I267 HydrophobicContact CB-CD1 4.32Å; V238-I267 HydrophobicContact CB-CG1 4.34Å; V238-I267 HydrophobicContact CG1-CD1 4.4Å; V238-I267 HydrophobicContact CG2-CB 4.38Å; V238-I267 PolarHBondContact N-O 2.81Å; V238-I267 PolarHBondContact O-N 2.79Å; M265-I267 HydrophobicContact CE-CD1 3.76Å; M265-I267 HydrophobicContact CE-CG1 4.03Å; M265-I267 HydrophobicContact CG-CG1 4.21Å; M265-I267 HydrophobicContact SD-CD1 4.4Å
268	N	94.8	Very high	84.6	Confident	61 Å²	61	53 Å²	53	33%	0.326	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.8	-176.3	-70.4	-43.6	0	0	0	110.9	Y37 K38 N237 T270	Y37-N268 CarbonylContact C-O 3.53Å; Y37-N268 VanDerWaalsContact CA-O 3.29Å; Y37-N268 WeakPolarHBondContact CA-O 3Å; K38-N268 PolarHBondContact N-O 2.96Å; K38-N268 PolarHBondContact O-N 3.44Å; N237-N268 WeakPolarHBondContact CB-OD1 3.37Å; N237-N268 PolarHBondContact OD1-OD1 2.81Å; N268-T270 PolarHBondContact O-N 2.88Å
269	L	92.2	Very high	84.6	Confident	33 Å²	33	54.8 Å²	54.8	17%	0.173	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.7	173.4	-174.3	65.3	0	0	0	109.7	Y35 Y37 P234 T236 E272	Y35-L269 HydrophobicContact CD1-CD1 4.14Å; Y37-L269 HydrophobicContact CD1-CB 4.04Å; Y37-L269 HydrophobicContact CD1-CD1 4.16Å; Y37-L269 HydrophobicContact CD2-CD1 4.25Å; Y37-L269 HydrophobicContact CE1-CB 3.71Å; Y37-L269 HydrophobicContact CE1-CD1 3.8Å; Y37-L269 HydrophobicContact CE1-CG 4.29Å; Y37-L269 HydrophobicContact CE2-CD1 3.87Å; Y37-L269 HydrophobicContact CG-CD1 4.39Å; P234-L269 HydrophobicContact CB-CD2 4.39Å; P234-L269 HydrophobicContact CG-CD2 3.81Å; T236-L269 HydrophobicContact CG2-CD2 4.37Å; T236-L269 PolarHBondContact O-N 2.86Å; L269-E272 HydrophobicContact CD1-CG 4.35Å; L269-E272 HydrophobicContact CD2-CG 3.89Å; L269-E272 WeakPolarHBondContact CD2-OE1 3.45Å; L269-E272 HydrophobicContact CG-CG 4.35Å
270	T	91	Very high	84.3	Confident	86 Å²	86	60.1 Å²	60.1	53%	0.528	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-27	-177.4	56.2	0	0	0	0	113.4	M36 K38 N268	M36-T270 WeakPolarHBondContact CB-OG1 3.32Å; M36-T270 PolarHBondContact O-N 2.79Å; M36-T270 PolarHBondContact O-OG1 2.79Å; K38-T270 HydrophobicContact CB-CG2 3.58Å; N268-T270 PolarHBondContact O-N 2.88Å
271	G	87.2	Confident	83.4	Confident	28 Å²	28	68 Å²	68	29%	0.289	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	149.3	-179.1	0	0	0	0	0	112.8	M36	M36-G271 PolarHBondContact N-O 2.83Å; M36-G271 PolarHBondContact O-N 3Å
272	E	88.4	Confident	82.3	Confident	70 Å²	70	69.6 Å²	69.6	33%	0.327	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.9	174.4	-55.2	178.9	-156.2	0	0	106.1	Y35 K230 L269	Y35-E272 HydrophobicContact CD1-CB 4.35Å; Y35-E272 HydrophobicContact CD1-CG 3.77Å; Y35-E272 HydrophobicContact CE1-CB 4.27Å; Y35-E272 HydrophobicContact CE1-CG 3.83Å; K230-E272 IonicContact NZ-OE1 3.79Å; K230-E272 PolarHBondContact NZ-OE1 2.8Å; K230-E272 IonicContact NZ-OE2 2.73Å; L269-E272 HydrophobicContact CD1-CG 4.35Å; L269-E272 HydrophobicContact CD2-CG 3.89Å; L269-E272 WeakPolarHBondContact CD2-OE1 3.45Å; L269-E272 HydrophobicContact CG-CG 4.35Å
273	T	88.7	Confident	80.8	Confident	67 Å²	67	75.2 Å²	75.2	41%	0.411	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.1	179.9	44.1	0	0	0	0	110.1	Y33 Q34	Y33-T273 CarbonylContact C-O 3.55Å; Y33-T273 WeakPolarHBondContact CA-O 3.11Å; Q34-T273 WeakPolarHBondContact CG-O 3.41Å; Q34-T273 WeakPolarHBondContact CG-OG1 3.4Å; Q34-T273 PolarHBondContact N-O 3.11Å; Q34-T273 PolarHBondContact NE2-OG1 2.82Å; Q34-T273 PolarHBondContact O-N 2.88Å
274	E	84.8	Confident	78.6	Confident	118 Å²	118	86.6 Å²	86.6	55%	0.551	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	135	173.6	-71.3	175.7	-179.2	0	0	109.8	Y33	Y33-E274 HydrophobicContact CD1-CG 3.99Å; Y33-E274 HydrophobicContact CE1-CG 3.4Å; Y33-E274 HydrophobicContact CE2-CG 4.3Å; Y33-E274 PolarHBondContact OH-OE1 2.85Å
275	Y	80.9	Confident	76.3	Confident	27 Å²	27	88.5 Å²	88.5	11%	0.106	44%	0.443	C	S	.	.			trans	-99.1	109.8	-178.4	-176.3	-108.2	0	0	0	109.6	G32 Q34 I76 D277 F279	G32-Y275 PolarHBondContact O-N 2.81Å; Q34-Y275 HydrophobicContact CB-CD2 4.18Å; Q34-Y275 HydrophobicContact CB-CG 4.48Å; I76-Y275 HydrophobicContact CD1-CD2 4.31Å; I76-Y275 HydrophobicContact CD1-CE1 4.27Å; I76-Y275 HydrophobicContact CD1-CE2 3.73Å; I76-Y275 HydrophobicContact CG1-CD2 4.45Å; I76-Y275 HydrophobicContact CG1-CE2 4.35Å; I76-Y275 HydrophobicContact CG2-CD1 3.43Å; I76-Y275 VanDerWaalsContact CG2-CD1 3.43Å; I76-Y275 HydrophobicContact CG2-CD2 4.22Å; I76-Y275 HydrophobicContact CG2-CE1 3.59Å; I76-Y275 HydrophobicContact CG2-CE2 4.4Å; I76-Y275 HydrophobicContact CG2-CG 3.75Å; Y275-D277 HydrophobicContact CE1-CB 4.26Å; Y275-D277 WeakPolarHBondContact CE1-O 3.39Å; Y275-D277 HydrophobicContact CE2-CB 3.8Å; Y275-F279 HydrophobicContact CD1-CE2 4.15Å; Y275-F279 HydrophobicContact CD1-CZ 4.27Å; Y275-F279 HydrophobicContact CE1-CD2 4.29Å; Y275-F279 HydrophobicContact CE1-CE2 4.18Å; Y275-F279 HydrophobicContact CE1-CZ 4.37Å
276	N	76.9	Confident	74	Confident	143 Å²	143	90.5 Å²	90.5	77%	0.765	46%	0.457	S	S	*	.			trans	-104.2	-0.8	-174.7	-66.3	-16.6	0	0	0	113.7
277	D	73.8	Confident	71.7	Confident	105 Å²	105	95.1 Å²	95.1	56%	0.561	48%	0.476	S	S	*	.	S	Bend	trans	-87.7	157.8	-177.7	-54.7	-39.8	0	0	0	111.7	Y275	Y275-D277 HydrophobicContact CE1-CB 4.26Å; Y275-D277 WeakPolarHBondContact CE1-O 3.39Å; Y275-D277 HydrophobicContact CE2-CB 3.8Å
278	E	66.4	Low	69.3	Low	183 Å²	183	100.9 Å²	100.9	86%	0.855	51%	0.505	S	S	*	.			trans	-66.8	135.9	174.5	-69.9	-176.9	172.8	0	0	111.6	I280	E278-I280 PolarHBondContact O-N 2.71Å
279	F	62.7	Low	67.1	Low	66 Å²	66	101.6 Å²	101.6	29%	0.289	51%	0.509	S	S	.	.			trans	-67	99.9	173.2	-82.4	-94.8	0	0	0	110.1	I76 R84 Y275 E281	I76-F279 HydrophobicContact CG2-CD1 4.5Å; I76-F279 HydrophobicContact CG2-CE1 3.63Å; I76-F279 HydrophobicContact CG2-CZ 3.71Å; R84-F279 VanDerWaalsContact NH1-CA 3.31Å; Y275-F279 HydrophobicContact CD1-CE2 4.15Å; Y275-F279 HydrophobicContact CD1-CZ 4.27Å; Y275-F279 HydrophobicContact CE1-CD2 4.29Å; Y275-F279 HydrophobicContact CE1-CE2 4.18Å; Y275-F279 HydrophobicContact CE1-CZ 4.37Å; F279-E281 PolarHBondContact O-N 2.69Å
280	I	63.5	Low	65.1	Low	117 Å²	117	102 Å²	102	60%	0.6	51%	0.51	S	S	*	.			trans	-36.3	119.1	169.1	-53.9	172.8	0	0	0	112	R84 E278 F282	R84-I280 PolarHBondContact NH1-O 2.65Å; R84-I280 PolarHBondContact NH2-O 3.29Å; E278-I280 PolarHBondContact O-N 2.71Å; I280-F282 PolarHBondContact O-N 2.95Å
281	E	59.5	Low	63.2	Low	176 Å²	176	105.1 Å²	105.1	82%	0.822	52%	0.519	S	S	*	.			trans	-62	135.5	178.1	-73.9	-172.6	147.9	0	0	111.7	F279	F279-E281 PolarHBondContact O-N 2.69Å
282	F	62	Low	61.5	Low	43 Å²	43	106.2 Å²	106.2	19%	0.189	52%	0.515	C	S	.	.			trans	-93.8	104.4	178.5	-154.8	-92	0	0	0	108.9	P109 K111 E123 I280 R284	P109-F282 WeakPolarHBondContact O-CE2 3.41Å; K111-F282 HydrophobicContact CB-CD2 4.31Å; K111-F282 HydrophobicContact CB-CE2 4.36Å; K111-F282 HydrophobicContact CB-CG 4.47Å; E123-F282 HydrophobicContact CB-CE1 4.3Å; I280-F282 PolarHBondContact O-N 2.95Å; F282-R284 PolarHBondContact O-N 3.13Å
283	D	56.7	Low	59.5	Low	144 Å²	144	104.9 Å²	104.9	77%	0.77	51%	0.513	S	S	*	.			trans	-66.1	117.8	178.4	-85.5	-26.4	0	0	0	110.8	T285	D283-T285 PolarHBondContact O-N 3.4Å
284	R	45	Very low	57.4	Low	239 Å²	239	107.3 Å²	107.3	90%	0.902	52%	0.523	S	S	*	.			trans	-62.5	103	-168.9	-61.7	178.3	-169	-179.5	2.7	112.5	F282	F282-R284 PolarHBondContact O-N 3.13Å
285	T	44.5	Very low	55.7	Low	86 Å²	86	103.6 Å²	103.6	53%	0.528	51%	0.505	S	S	.	.			trans	-154.4	83	153.4	47.8	0	0	0	0	112.7	S126 D283	S126-T285 PolarHBondContact OG-OG1 3.43Å; D283-T285 PolarHBondContact O-N 3.4Å
286	S	46.9	Very low	54	Low	42 Å²	42	108 Å²	108	29%	0.294	53%	0.53	S	S	.	.			trans	-163.3	133.6	149.9	59.5	0	0	0	0	110.7	Y124	Y124-S286 PolarHBondContact N-OG 2.76Å; Y124-S286 PolarHBondContact O-OG 3.02Å
287	K	46.1	Very low	52.3	Low	163 Å²	163	109.2 Å²	109.2	71%	0.709	53%	0.532	S	S	*	.			trans	-59.9	153.9	169.3	-75.3	173.6	176	177.5	0	110.2	D289	K287-D289 VanDerWaalsContact CB-OD2 3.31Å; K287-D289 WeakPolarHBondContact CB-OD2 3.47Å; K287-D289 PolarHBondContact O-N 3.17Å
288	I	44.3	Very low	50.5	Low	121 Å²	121	110.4 Å²	110.4	62%	0.621	54%	0.538	S	S	*	.	S	Bend	trans	-66.9	77.7	165.8	-55.7	165.2	0	0	0	107.1	F290	I288-F290 HydrophobicContact CG2-CE2 4.47Å
289	D	49	Very low	49.2	Very low	76 Å²	76	107.2 Å²	107.2	41%	0.406	52%	0.523	S	S	.	.			trans	-116.2	108.4	176.8	-67.5	-21	0	0	0	107.2	K287 E291	K287-D289 VanDerWaalsContact CB-OD2 3.31Å; K287-D289 WeakPolarHBondContact CB-OD2 3.47Å; K287-D289 PolarHBondContact O-N 3.17Å; D289-E291 PolarHBondContact O-N 3.36Å
290	F	50	Low	48.2	Very low	43 Å²	43	108.7 Å²	108.7	19%	0.189	54%	0.538	C	S	.	.			trans	-69.4	-8.1	167.1	-73.3	-78.8	0	0	0	111.7	L119 K137 I159 Y194 I288	L119-F290 HydrophobicContact CD2-CE1 4.29Å; K137-F290 PolarHBondContact NZ-O 3.48Å; I159-F290 HydrophobicContact CD1-CD1 4.41Å; I159-F290 HydrophobicContact CD1-CE1 3.77Å; I159-F290 HydrophobicContact CD1-CE2 3.95Å; I159-F290 HydrophobicContact CD1-CZ 3.51Å; I159-F290 HydrophobicContact CG2-CD1 3.66Å; I159-F290 HydrophobicContact CG2-CE1 3.89Å; I159-F290 HydrophobicContact CG2-CG 4.22Å; Y194-F290 HydrophobicContact CD2-CD2 4.35Å; Y194-F290 HydrophobicContact CD2-CE2 4.35Å; Y194-F290 HydrophobicContact CE2-CE2 4.22Å; I288-F290 HydrophobicContact CG2-CE2 4.47Å
291	E	49.4	Very low	46.9	Very low	151 Å²	151	110.4 Å²	110.4	71%	0.706	55%	0.545	S	S	*	.	S	Bend	trans	-72.9	142.6	174.4	-65	-178.2	174.4	0	0	111.6	D289	D289-E291 PolarHBondContact O-N 3.36Å
292	F	52.5	Low	46	Very low	51 Å²	51	108.7 Å²	108.7	22%	0.224	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-75	135.3	172.1	-67.4	-78	0	0	0	109.2	R134 K137 H161 D294 P770	R134-F292 HydrophobicContact CB-CE1 4.43Å; R134-F292 HydrophobicContact CG-CD1 3.65Å; R134-F292 HydrophobicContact CG-CE1 3.69Å; K137-F292 HydrophobicContact CD-CE1 4.06Å; K137-F292 HydrophobicContact CD-CZ 4.47Å; H161-F292 HydrophobicContact CB-CE2 4.44Å; H161-F292 HydrophobicContact CB-CZ 4.12Å; H161-F292 WeakPolarHBondContact O-CE2 3.48Å; F292-D294 PolarHBondContact O-N 3.1Å; F292-P770 HydrophobicContact CE2-CB 3.98Å; F292-P770 HydrophobicContact CE2-CG 4.12Å; F292-P770 HydrophobicContact CZ-CB 4.38Å
293	P	45.3	Very low	45	Very low	42 Å²	42	111.6 Å²	111.6	27%	0.273	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-61.4	128.4	173.1	23.6	-31.9	0	0	0	110.5	I130	I130-P293 HydrophobicContact CD1-CB 4.43Å; I130-P293 HydrophobicContact CD1-CG 4.18Å; I130-P293 HydrophobicContact CG1-CG 4.06Å; I130-P293 HydrophobicContact CG2-CG 4.19Å
294	D	46.1	Very low	44.3	Very low	117 Å²	117	108.3 Å²	108.3	63%	0.626	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-69.8	135.4	175.4	-102.6	-9.6	0	0	0	110.9	F292 N296	F292-D294 PolarHBondContact O-N 3.1Å; D294-N296 PolarHBondContact O-N 3.42Å
295	K	49.2	Very low	44.2	Very low	41 Å²	41	104.2 Å²	104.2	18%	0.178	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-58.6	-13.7	175.7	-84.2	-179.2	170.3	-178.4	0	114.9	Q297 Y776 G823	K295-Q297 PolarHBondContact O-N 3.36Å; K295-Y776 WeakPolarHBondContact CE-OH 2.87Å; K295-Y776 PolarHBondContact NZ-OH 3.24Å; K295-G823 WeakPolarHBondContact CE-O 3.12Å; K295-G823 PolarHBondContact NZ-O 3.37Å
296	N	44.1	Very low	44.1	Very low	118 Å²	118	107.3 Å²	107.3	63%	0.631	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-69.9	-6.7	-159.6	-73.4	-28.6	0	0	0	115.8	D294	D294-N296 PolarHBondContact O-N 3.42Å
297	Q	41.3	Very low	43.9	Very low	170 Å²	170	108.9 Å²	108.9	79%	0.794	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-83.2	-29.9	-178.5	-69.2	-173.1	-7.6	0	0	114.6	K295	K295-Q297 PolarHBondContact O-N 3.36Å
298	N	36.8	Very low	43.9	Very low	130 Å²	130	103.9 Å²	103.9	70%	0.695	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-21.4	-169.6	-74.8	-7.4	0	0	0	116	T300	N298-T300 VanDerWaalsContact C-N 3.28Å; N298-T300 PolarHBondContact O-N 3.44Å
299	Q	39.1	Very low	43.8	Very low	116 Å²	116	106.4 Å²	106.4	54%	0.542	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.1	-178.5	-82.5	-175.7	-28.8	0	0	114.3	M301	Q299-M301 VanDerWaalsContact C-N 3.27Å; Q299-M301 PolarHBondContact O-N 3.44Å
300	T	40.2	Very low	43.9	Very low	97 Å²	97	109.6 Å²	109.6	60%	0.595	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-17.3	178.6	44.2	0	0	0	0	113.7	N298	N298-T300 VanDerWaalsContact C-N 3.28Å; N298-T300 PolarHBondContact O-N 3.44Å
301	M	37.5	Very low	44.3	Very low	153 Å²	153	111.2 Å²	111.2	75%	0.754	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-27.8	-175.7	-76.9	-172.7	178.9	0	0	115.5	Q299	Q299-M301 VanDerWaalsContact C-N 3.27Å; Q299-M301 PolarHBondContact O-N 3.44Å
302	I	40.6	Very low	44.9	Very low	139 Å²	139	104.5 Å²	104.5	71%	0.713	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-22.2	-169.8	-63.5	175.3	0	0	0	113.2	N304	I302-N304 VanDerWaalsContact C-N 3.32Å; I302-N304 PolarHBondContact O-N 3.25Å
303	I	39.5	Very low	45.4	Very low	105 Å²	105	104.3 Å²	104.3	54%	0.538	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.9	-178.1	-65.2	173.2	0	0	0	112.5	N305	I303-N305 VanDerWaalsContact C-N 3.35Å; I303-N305 PolarHBondContact O-N 2.85Å
304	N	42.7	Very low	46.5	Very low	74 Å²	74	105.9 Å²	105.9	40%	0.396	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.9	-166.7	-80	-12.5	0	0	0	116.4	I302	I302-N304 VanDerWaalsContact C-N 3.32Å; I302-N304 PolarHBondContact O-N 3.25Å
305	N	42.7	Very low	47.6	Very low	154 Å²	154	103.6 Å²	103.6	82%	0.824	53%	0.532	S	S	*	.	S	Bend	trans	-117.5	-14.8	-172.1	-79.1	-3.2	0	0	0	117	I303	I303-N305 VanDerWaalsContact C-N 3.35Å; I303-N305 PolarHBondContact O-N 2.85Å
306	L	42.2	Very low	48.7	Very low	150 Å²	150	107.3 Å²	107.3	79%	0.785	55%	0.554	S	S	*	*	S	Bend	trans	-102.8	-1.9	-164.7	-89.5	163.7	0	0	0	117.4
307	L	44.3	Very low	50	Low	76 Å²	76	103 Å²	103	40%	0.398	53%	0.529	S	S	.	.	S	Bend	trans	-136.2	15.8	-172.3	-75.9	168.4	0	0	0	117.5	E309 Y330	L307-E309 VanDerWaalsContact C-N 3.3Å; L307-E309 PolarHBondContact O-N 3.38Å; L307-Y330 WeakPolarHBondContact CD1-OH 3.09Å
308	I	44.2	Very low	51.5	Low	58 Å²	58	94.9 Å²	94.9	30%	0.297	49%	0.492	S	S	.	.	S	Bend	trans	-77.8	-12.6	179	-67.3	178.6	0	0	0	112.9	L338 Q342	I308-L338 HydrophobicContact CD1-CD2 3.89Å; I308-L338 HydrophobicContact CG1-CD2 4.15Å; I308-Q342 VanDerWaalsContact CD1-NE2 3.27Å
309	E	43.7	Very low	53	Low	174 Å²	174	91.2 Å²	91.2	81%	0.813	47%	0.472	S	S	*	.	S	Bend	trans	-104.3	1.5	-153.9	-107.4	-178.5	-170.9	0	0	121.6	L307	L307-E309 VanDerWaalsContact C-N 3.3Å; L307-E309 PolarHBondContact O-N 3.38Å
310	N	50.2	Low	54.4	Low	143 Å²	143	89.1 Å²	89.1	77%	0.765	46%	0.463	S	S	*	.	S	Bend	trans	-160.2	-2.5	171.3	-95.9	-35.8	0	0	0	118.8
311	N	58.8	Low	56	Low	77 Å²	77	84.5 Å²	84.5	41%	0.412	43%	0.434	S	S	.	.	S	Bend	trans	-96.4	-20.5	-175.8	-76.7	-23.4	0	0	0	115	T313 Y317	N311-T313 VanDerWaalsContact C-N 3.29Å; N311-T313 PolarHBondContact O-N 3.41Å; N311-Y317 HydrophobicContact CB-CD1 4.18Å; N311-Y317 HydrophobicContact CB-CE1 4.09Å; N311-Y317 WeakPolarHBondContact O-CD1 3.35Å
312	F	62.3	Low	57.3	Low	9 Å²	9	79 Å²	79	4%	0.039	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-21	-172.6	-69.5	-78.4	0	0	0	114.5	F331 Q334 L335 W350	F312-F331 AromaticContact CD1-CD2 3.99Å; F312-F331 HydrophobicContact CD1-CD2 3.99Å; F312-F331 AromaticContact CD1-CE2 3.25Å; F312-F331 HydrophobicContact CD1-CE2 3.25Å; F312-F331 AromaticContact CD1-CZ 3.99Å; F312-F331 HydrophobicContact CD1-CZ 3.99Å; F312-F331 AromaticContact CE1-CD2 3.66Å; F312-F331 HydrophobicContact CE1-CD2 3.66Å; F312-F331 AromaticContact CE1-CE2 3.41Å; F312-F331 HydrophobicContact CE1-CE2 3.41Å; F312-F331 VanDerWaalsContact CE1-CE2 3.41Å; F312-F331 HydrophobicContact CE1-CZ 4.3Å; F312-F331 HydrophobicContact CG-CE2 4.45Å; F312-Q334 HydrophobicContact CE1-CB 4.49Å; F312-Q334 HydrophobicContact CZ-CB 3.91Å; F312-L335 HydrophobicContact CD1-CD2 4.1Å; F312-L335 HydrophobicContact CE1-CD2 3.7Å; F312-L335 HydrophobicContact CE1-CG 4.2Å; F312-L335 HydrophobicContact CZ-CD2 4.49Å; F312-W350 HydrophobicContact CD1-CZ2 4.4Å; F312-W350 PolarHBondContact O-NE1 3.35Å
313	T	61.9	Low	58.3	Low	48 Å²	48	76.3 Å²	76.3	29%	0.294	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-12	-175.9	52	0	0	0	0	113.9	N311 H315 S349	N311-T313 VanDerWaalsContact C-N 3.29Å; N311-T313 PolarHBondContact O-N 3.41Å; T313-H315 PolarHBondContact O-N 3.41Å; T313-S349 WeakPolarHBondContact CG2-OG 3.29Å
314	N	69.6	Low	59.5	Low	74 Å²	74	72.6 Å²	72.6	40%	0.396	38%	0.378	S	S	.	.			trans	-77.3	114.4	-174.7	-174.3	-16.2	0	0	0	111.4	N316 Y317 I318	N314-N316 PolarHBondContact O-N 2.59Å; N314-N316 WeakPolarHBondContact OD1-CB 3.47Å; N314-N316 PolarHBondContact OD1-N 3.16Å; N314-Y317 WeakPolarHBondContact O-CB 3.42Å; N314-Y317 PolarHBondContact O-N 2.8Å; N314-I318 PolarHBondContact O-N 3.35Å
315	H	68.8	Low	60.5	Low	69 Å²	69	69.7 Å²	69.7	32%	0.319	36%	0.363	S	S	.	.	H	α-helix	trans	-53.1	-38.8	177.7	-166.9	99.7	0	0	0	113.3	T313 I318 N319 T356 I359	T313-H315 PolarHBondContact O-N 3.41Å; H315-I318 PolarHBondContact O-N 3.18Å; H315-N319 PolarHBondContact CD2-ND2 2.94Å; H315-N319 VanDerWaalsContact CD2-ND2 3.26Å; H315-N319 PolarHBondContact NE2-ND2 3.12Å; H315-N319 WeakPolarHBondContact O-CB 3.19Å; H315-N319 PolarHBondContact O-N 3.39Å; H315-T356 PolarHBondContact CE1-OG1 3.36Å; H315-I359 WeakPolarHBondContact CE1-CD1 3.49Å; H315-I359 WeakPolarHBondContact ND1-CD1 3.31Å; H315-I359 WeakPolarHBondContact NE2-CD1 3.43Å
316	N	71.3	Confident	61.4	Low	119 Å²	119	65.7 Å²	65.7	64%	0.636	34%	0.339	S	S	*	.	H	α-helix	trans	-68.7	-36.5	178.1	-70.7	-15.9	0	0	0	111.9	N314 M320	N314-N316 PolarHBondContact O-N 2.59Å; N314-N316 WeakPolarHBondContact OD1-CB 3.47Å; N314-N316 PolarHBondContact OD1-N 3.16Å; N316-M320 WeakPolarHBondContact O-CB 3.29Å; N316-M320 PolarHBondContact O-N 2.87Å
317	Y	73	Confident	62.7	Low	28 Å²	28	62.4 Å²	62.4	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-66.8	-41.9	176	-177.4	-108.6	0	0	0	110.9	N311 N314 M320 I321 F331	N311-Y317 HydrophobicContact CB-CD1 4.18Å; N311-Y317 HydrophobicContact CB-CE1 4.09Å; N311-Y317 WeakPolarHBondContact O-CD1 3.35Å; N314-Y317 WeakPolarHBondContact O-CB 3.42Å; N314-Y317 PolarHBondContact O-N 2.8Å; Y317-M320 HydrophobicContact CD2-CE 3.56Å; Y317-M320 HydrophobicContact CE2-CE 3.91Å; Y317-M320 CarbonylContact O-C 3.5Å; Y317-M320 WeakPolarHBondContact O-CB 3.22Å; Y317-M320 PolarHBondContact O-N 2.91Å; Y317-M320 VanDerWaalsContact O-N 3.15Å; Y317-I321 HydrophobicContact CD1-CD1 3.47Å; Y317-I321 VanDerWaalsContact CD1-CD1 3.47Å; Y317-I321 HydrophobicContact CD1-CG1 4.3Å; Y317-I321 HydrophobicContact CE1-CD1 3.23Å; Y317-I321 HydrophobicContact CE1-CG1 4.04Å; Y317-I321 HydrophobicContact CG-CD1 4.28Å; Y317-I321 WeakPolarHBondContact O-CG1 3.31Å; Y317-I321 PolarHBondContact O-N 2.83Å; Y317-F331 HydrophobicContact CE1-CD2 4.14Å; Y317-F331 HydrophobicContact CE1-CE2 4.33Å
318	I	71.7	Confident	64.2	Low	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.3	-42.8	176.8	-58.6	159.4	0	0	0	111.3	N314 H315 M320 I321 M322 I354 I359 F362 L363	N314-I318 PolarHBondContact O-N 3.35Å; H315-I318 PolarHBondContact O-N 3.18Å; I318-M320 PolarHBondContact O-N 3.48Å; I318-I321 WeakPolarHBondContact O-CB 3.26Å; I318-I321 PolarHBondContact O-N 3.29Å; I318-I321 VanDerWaalsContact O-N 3.15Å; I318-M322 WeakPolarHBondContact O-CG 3.41Å; I318-M322 PolarHBondContact O-N 3.31Å; I318-I354 HydrophobicContact CD1-CD1 3.99Å; I318-I359 HydrophobicContact CB-CG2 4.31Å; I318-I359 HydrophobicContact CD1-CG2 4.14Å; I318-I359 HydrophobicContact CG2-CG2 3.54Å; I318-F362 HydrophobicContact CG2-CD1 4.02Å; I318-F362 HydrophobicContact CG2-CE1 4.16Å; I318-L363 HydrophobicContact CD1-CD1 4.07Å; I318-L363 HydrophobicContact CG2-CD2 4.27Å
319	N	68.9	Low	65.3	Low	53 Å²	53	56.4 Å²	56.4	28%	0.283	29%	0.288	S	S	.	.	H	α-helix	trans	-59.1	-35.5	171.9	-81.2	-18.8	0	0	0	112.3	H315 M322 N323 I359	H315-N319 PolarHBondContact CD2-ND2 2.94Å; H315-N319 VanDerWaalsContact CD2-ND2 3.26Å; H315-N319 PolarHBondContact NE2-ND2 3.12Å; H315-N319 WeakPolarHBondContact O-CB 3.19Å; H315-N319 PolarHBondContact O-N 3.39Å; N319-M322 HydrophobicContact CB-CE 4.45Å; N319-M322 WeakPolarHBondContact OD1-CE 3.24Å; N319-N323 PolarHBondContact O-N 2.89Å; N319-N323 PolarHBondContact O-ND2 2.93Å; N319-I359 WeakPolarHBondContact OD1-CD1 3.26Å
320	M	69	Low	66.6	Low	71 Å²	71	53.5 Å²	53.5	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-71.2	-40.1	175.4	-167.9	176.8	61.1	0	0	112	N316 Y317 I318 N323 S324 K327	N316-M320 WeakPolarHBondContact O-CB 3.29Å; N316-M320 PolarHBondContact O-N 2.87Å; Y317-M320 HydrophobicContact CD2-CE 3.56Å; Y317-M320 HydrophobicContact CE2-CE 3.91Å; Y317-M320 CarbonylContact O-C 3.5Å; Y317-M320 WeakPolarHBondContact O-CB 3.22Å; Y317-M320 PolarHBondContact O-N 2.91Å; Y317-M320 VanDerWaalsContact O-N 3.15Å; I318-M320 PolarHBondContact O-N 3.48Å; M320-N323 CarbonylContact O-C 3.57Å; M320-N323 PolarHBondContact O-N 3.23Å; M320-N323 VanDerWaalsContact O-N 3.14Å; M320-S324 WeakPolarHBondContact O-CB 3.48Å; M320-S324 PolarHBondContact O-N 2.92Å; M320-S324 PolarHBondContact O-OG 2.92Å; M320-K327 HydrophobicContact CE-CD 3.38Å; M320-K327 HydrophobicContact CG-CD 4.03Å; M320-K327 HydrophobicContact SD-CD 3.98Å; M320-K327 PolarHBondContact SD-NZ 3.15Å
321	I	72.5	Confident	68	Low	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-47.2	173.3	-71.9	161.6	0	0	0	110.8	Y317 I318 N323 S324 K327 F328 F331 F362	Y317-I321 HydrophobicContact CD1-CD1 3.47Å; Y317-I321 VanDerWaalsContact CD1-CD1 3.47Å; Y317-I321 HydrophobicContact CD1-CG1 4.3Å; Y317-I321 HydrophobicContact CE1-CD1 3.23Å; Y317-I321 HydrophobicContact CE1-CG1 4.04Å; Y317-I321 HydrophobicContact CG-CD1 4.28Å; Y317-I321 WeakPolarHBondContact O-CG1 3.31Å; Y317-I321 PolarHBondContact O-N 2.83Å; I318-I321 WeakPolarHBondContact O-CB 3.26Å; I318-I321 PolarHBondContact O-N 3.29Å; I318-I321 VanDerWaalsContact O-N 3.15Å; I321-N323 PolarHBondContact O-N 2.8Å; I321-S324 PolarHBondContact O-N 2.71Å; I321-K327 HydrophobicContact CG1-CB 4.24Å; I321-F328 HydrophobicContact CG2-CB 4.01Å; I321-F328 HydrophobicContact CG2-CD2 3.77Å; I321-F328 HydrophobicContact CG2-CG 4.39Å; I321-F331 HydrophobicContact CD1-CB 4.06Å; I321-F331 HydrophobicContact CD1-CD1 4.1Å; I321-F331 HydrophobicContact CD1-CD2 3.42Å; I321-F331 VanDerWaalsContact CD1-CD2 3.42Å; I321-F331 HydrophobicContact CD1-CE1 4.32Å; I321-F331 HydrophobicContact CD1-CE2 3.64Å; I321-F331 HydrophobicContact CD1-CG 3.64Å; I321-F331 HydrophobicContact CD1-CZ 4.12Å; I321-F331 HydrophobicContact CG1-CB 4.4Å; I321-F331 HydrophobicContact CG1-CG 4.45Å; I321-F331 HydrophobicContact CG2-CB 4.41Å; I321-F331 HydrophobicContact CG2-CD1 4.23Å; I321-F331 HydrophobicContact CG2-CG 4.44Å; I321-F362 HydrophobicContact CG2-CE1 4.13Å; I321-F362 HydrophobicContact CG2-CZ 3.94Å
322	M	65.9	Low	68.9	Low	39 Å²	39	43.3 Å²	43.3	19%	0.192	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-22.5	177	-71.7	-165.5	-67.6	0	0	113.3	I318 N319 I359 F362	I318-M322 WeakPolarHBondContact O-CG 3.41Å; I318-M322 PolarHBondContact O-N 3.31Å; N319-M322 HydrophobicContact CB-CE 4.45Å; N319-M322 WeakPolarHBondContact OD1-CE 3.24Å; M322-I359 HydrophobicContact CE-CD1 4.22Å; M322-I359 HydrophobicContact CE-CG1 3.76Å; M322-F362 HydrophobicContact CG-CD1 3.7Å; M322-F362 HydrophobicContact CG-CD2 3.76Å; M322-F362 HydrophobicContact CG-CE1 3.65Å; M322-F362 HydrophobicContact CG-CE2 3.7Å; M322-F362 HydrophobicContact CG-CG 3.75Å; M322-F362 HydrophobicContact CG-CZ 3.64Å; M322-F362 HydrophobicContact SD-CB 4Å; M322-F362 HydrophobicContact SD-CD1 4.05Å; M322-F362 HydrophobicContact SD-CD2 4.04Å; M322-F362 HydrophobicContact SD-CG 3.75Å
323	N	62	Low	69.4	Low	82 Å²	82	46 Å²	46	44%	0.439	23%	0.229	S	C	.	.	H	α-helix	trans	-109.9	-3.3	-177.8	-68.8	-54.1	0	0	0	114.3	N319 M320 I321 K811	N319-N323 PolarHBondContact O-N 2.89Å; N319-N323 PolarHBondContact O-ND2 2.93Å; M320-N323 CarbonylContact O-C 3.57Å; M320-N323 PolarHBondContact O-N 3.23Å; M320-N323 VanDerWaalsContact O-N 3.14Å; I321-N323 PolarHBondContact O-N 2.8Å; N323-K811 PolarHBondContact OD1-NZ 3.3Å
324	S	63.2	Low	70.2	Confident	26 Å²	26	44.6 Å²	44.6	18%	0.182	22%	0.219	C	C	.	.			trans	-132.7	118.8	-178.6	58.5	0	0	0	0	113.3	M320 I321 K327 F328	M320-S324 WeakPolarHBondContact O-CB 3.48Å; M320-S324 PolarHBondContact O-N 2.92Å; M320-S324 PolarHBondContact O-OG 2.92Å; I321-S324 PolarHBondContact O-N 2.71Å; S324-K327 PolarHBondContact O-N 3.42Å; S324-K327 VanDerWaalsContact OG-CB 3.28Å; S324-K327 WeakPolarHBondContact OG-CB 3.37Å; S324-K327 WeakPolarHBondContact OG-CD 3.35Å; S324-K327 WeakPolarHBondContact OG-CG 3.47Å; S324-F328 PolarHBondContact O-N 3.46Å
325	P	64.1	Low	70.8	Confident	14 Å²	14	41 Å²	41	9%	0.091	20%	0.2	C	C	.	.	H	α-helix	trans	-67.7	-38.7	-173.7	24.4	-32.9	0	0	0	113.5	K327 F328 S329 I784 Y813	P325-K327 VanDerWaalsContact C-N 3.35Å; P325-K327 PolarHBondContact O-N 3.1Å; P325-F328 PolarHBondContact O-N 2.9Å; P325-S329 WeakPolarHBondContact O-CB 3.46Å; P325-S329 PolarHBondContact O-N 3.2Å; P325-I784 HydrophobicContact CB-CD1 3.54Å; P325-I784 WeakPolarHBondContact O-CD1 3.49Å; P325-Y813 HydrophobicContact CG-CD1 4.14Å; P325-Y813 HydrophobicContact CG-CG 4.42Å
326	E	61	Low	71.4	Confident	70 Å²	70	41.5 Å²	41.5	33%	0.327	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-44.6	177.2	-62.3	-170.6	131.1	0	0	111.6	F328 S329 Y330 R817 Q831	E326-F328 VanDerWaalsContact C-N 3.34Å; E326-S329 PolarHBondContact O-N 2.87Å; E326-Y330 WeakPolarHBondContact O-CB 3.42Å; E326-Y330 PolarHBondContact O-N 3.29Å; E326-R817 IonicContact OE1-CZ 3.88Å; E326-R817 IonicContact OE1-NH2 4Å; E326-R817 PolarHBondContact OE1-NH2 3.5Å; E326-Q831 VanDerWaalsContact CD-NE2 3.31Å; E326-Q831 VanDerWaalsContact OE1-CD 3.31Å; E326-Q831 PolarHBondContact OE1-NE2 3.13Å; E326-Q831 PolarHBondContact OE1-OE1 3.32Å
327	K	71.3	Confident	71.8	Confident	81 Å²	81	38.1 Å²	38.1	35%	0.352	19%	0.186	S	C	.	.	H	α-helix	trans	-70.8	-33.1	179.4	-58	-171.3	176.9	159.7	0	111.3	M320 I321 S324 P325 F331	M320-K327 HydrophobicContact CE-CD 3.38Å; M320-K327 HydrophobicContact CG-CD 4.03Å; M320-K327 HydrophobicContact SD-CD 3.98Å; M320-K327 PolarHBondContact SD-NZ 3.15Å; I321-K327 HydrophobicContact CG1-CB 4.24Å; S324-K327 PolarHBondContact O-N 3.42Å; S324-K327 VanDerWaalsContact OG-CB 3.28Å; S324-K327 WeakPolarHBondContact OG-CB 3.37Å; S324-K327 WeakPolarHBondContact OG-CD 3.35Å; S324-K327 WeakPolarHBondContact OG-CG 3.47Å; P325-K327 VanDerWaalsContact C-N 3.35Å; P325-K327 PolarHBondContact O-N 3.1Å; K327-F331 WeakPolarHBondContact O-CB 3.48Å; K327-F331 PolarHBondContact O-N 2.95Å
328	F	74.5	Confident	72.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-47.8	170.1	-177.8	-96.5	0	0	0	112.6	I321 S324 P325 E326 Y330 F331 I332 F362 V366 H761 I784 Y786	I321-F328 HydrophobicContact CG2-CB 4.01Å; I321-F328 HydrophobicContact CG2-CD2 3.77Å; I321-F328 HydrophobicContact CG2-CG 4.39Å; S324-F328 PolarHBondContact O-N 3.46Å; P325-F328 PolarHBondContact O-N 2.9Å; E326-F328 VanDerWaalsContact C-N 3.34Å; F328-Y330 VanDerWaalsContact C-N 3.32Å; F328-Y330 PolarHBondContact O-N 2.87Å; F328-F331 WeakPolarHBondContact O-CB 3.36Å; F328-F331 PolarHBondContact O-N 2.83Å; F328-I332 HydrophobicContact CD1-CG1 4.15Å; F328-I332 HydrophobicContact CE1-CD1 4.34Å; F328-I332 HydrophobicContact CE1-CG1 3.82Å; F328-I332 HydrophobicContact CZ-CD1 4.12Å; F328-I332 HydrophobicContact CZ-CG1 4.04Å; F328-I332 VanDerWaalsContact O-CG1 3.3Å; F328-I332 WeakPolarHBondContact O-CG1 3.42Å; F328-I332 PolarHBondContact O-N 3.32Å; F328-F362 HydrophobicContact CD2-CE2 4.33Å; F328-F362 AromaticContact CD2-CZ 3.77Å; F328-F362 HydrophobicContact CD2-CZ 3.77Å; F328-F362 AromaticContact CE2-CE2 3.95Å; F328-F362 HydrophobicContact CE2-CE2 3.95Å; F328-F362 AromaticContact CE2-CZ 3.67Å; F328-F362 HydrophobicContact CE2-CZ 3.67Å; F328-V366 HydrophobicContact CE2-CG2 3.68Å; F328-V366 HydrophobicContact CZ-CG2 4.31Å; F328-H761 HydrophobicContact CE1-CB 4.44Å; F328-I784 HydrophobicContact CB-CD1 4.15Å; F328-I784 HydrophobicContact CD1-CD1 3.62Å; F328-I784 HydrophobicContact CD1-CG1 3.99Å; F328-I784 HydrophobicContact CD1-CG2 3.96Å; F328-I784 HydrophobicContact CE1-CG1 4.44Å; F328-I784 HydrophobicContact CE1-CG2 4.1Å; F328-I784 HydrophobicContact CG-CD1 4.29Å; F328-Y786 WeakPolarHBondContact CB-OH 3.33Å; F328-Y786 HydrophobicContact CD2-CE1 4.08Å; F328-Y786 WeakPolarHBondContact CD2-OH 3.42Å; F328-Y786 AromaticContact CE2-CE1 3.97Å; F328-Y786 HydrophobicContact CE2-CE1 3.97Å; F328-Y786 WeakPolarHBondContact CG-OH 3.4Å; F328-Y786 HydrophobicContact CZ-CE1 4.36Å
329	S	68.2	Low	72.9	Confident	8 Å²	8	40.4 Å²	40.4	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-46	176.5	-171.9	0	0	0	0	110.6	P325 E326 I332 E333	P325-S329 WeakPolarHBondContact O-CB 3.46Å; P325-S329 PolarHBondContact O-N 3.2Å; E326-S329 PolarHBondContact O-N 2.87Å; S329-I332 PolarHBondContact O-N 3.09Å; S329-E333 WeakPolarHBondContact O-CG 3.3Å; S329-E333 PolarHBondContact O-N 2.68Å
330	Y	70.2	Confident	73.6	Confident	112 Å²	112	40.9 Å²	40.9	44%	0.439	20%	0.201	S	C	.	.	H	α-helix	trans	-60.4	-46	174.9	-173.3	-103.4	0	0	0	112.5	L307 E326 F328 I332 E333 Q334	L307-Y330 WeakPolarHBondContact CD1-OH 3.09Å; E326-Y330 WeakPolarHBondContact O-CB 3.42Å; E326-Y330 PolarHBondContact O-N 3.29Å; F328-Y330 VanDerWaalsContact C-N 3.32Å; F328-Y330 PolarHBondContact O-N 2.87Å; Y330-I332 VanDerWaalsContact C-N 3.33Å; Y330-I332 PolarHBondContact O-N 3.09Å; Y330-E333 PolarHBondContact O-N 2.65Å; Y330-E333 VanDerWaalsContact O-N 3.15Å; Y330-Q334 HydrophobicContact CD1-CG 4.22Å; Y330-Q334 HydrophobicContact CE1-CG 3.91Å; Y330-Q334 WeakPolarHBondContact O-CG 3.36Å; Y330-Q334 PolarHBondContact O-N 3.44Å; Y330-Q334 PolarHBondContact OH-NE2 2.95Å
331	F	79.7	Confident	74.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-45.1	175.8	-174.4	-116.5	0	0	0	111.3	F312 Y317 I321 K327 F328 Q334 L335 W350 L363 V366	F312-F331 AromaticContact CD1-CD2 3.99Å; F312-F331 HydrophobicContact CD1-CD2 3.99Å; F312-F331 AromaticContact CD1-CE2 3.25Å; F312-F331 HydrophobicContact CD1-CE2 3.25Å; F312-F331 AromaticContact CD1-CZ 3.99Å; F312-F331 HydrophobicContact CD1-CZ 3.99Å; F312-F331 AromaticContact CE1-CD2 3.66Å; F312-F331 HydrophobicContact CE1-CD2 3.66Å; F312-F331 AromaticContact CE1-CE2 3.41Å; F312-F331 HydrophobicContact CE1-CE2 3.41Å; F312-F331 VanDerWaalsContact CE1-CE2 3.41Å; F312-F331 HydrophobicContact CE1-CZ 4.3Å; F312-F331 HydrophobicContact CG-CE2 4.45Å; Y317-F331 HydrophobicContact CE1-CD2 4.14Å; Y317-F331 HydrophobicContact CE1-CE2 4.33Å; I321-F331 HydrophobicContact CD1-CB 4.06Å; I321-F331 HydrophobicContact CD1-CD1 4.1Å; I321-F331 HydrophobicContact CD1-CD2 3.42Å; I321-F331 VanDerWaalsContact CD1-CD2 3.42Å; I321-F331 HydrophobicContact CD1-CE1 4.32Å; I321-F331 HydrophobicContact CD1-CE2 3.64Å; I321-F331 HydrophobicContact CD1-CG 3.64Å; I321-F331 HydrophobicContact CD1-CZ 4.12Å; I321-F331 HydrophobicContact CG1-CB 4.4Å; I321-F331 HydrophobicContact CG1-CG 4.45Å; I321-F331 HydrophobicContact CG2-CB 4.41Å; I321-F331 HydrophobicContact CG2-CD1 4.23Å; I321-F331 HydrophobicContact CG2-CG 4.44Å; K327-F331 WeakPolarHBondContact O-CB 3.48Å; K327-F331 PolarHBondContact O-N 2.95Å; F328-F331 WeakPolarHBondContact O-CB 3.36Å; F328-F331 PolarHBondContact O-N 2.83Å; F331-Q334 PolarHBondContact O-N 3.37Å; F331-L335 HydrophobicContact CD1-CD1 3.75Å; F331-L335 HydrophobicContact CE1-CD1 3.59Å; F331-L335 HydrophobicContact CG-CD1 4.33Å; F331-L335 HydrophobicContact CZ-CD1 4.04Å; F331-L335 WeakPolarHBondContact O-CB 3.04Å; F331-L335 VanDerWaalsContact O-CG 3.24Å; F331-L335 WeakPolarHBondContact O-CG 3.28Å; F331-L335 PolarHBondContact O-N 3.24Å; F331-W350 HydrophobicContact CZ-CH2 4.31Å; F331-W350 AromaticContact CZ-CZ2 3.82Å; F331-W350 HydrophobicContact CZ-CZ2 3.82Å; F331-L363 HydrophobicContact CE1-CD2 3.91Å; F331-L363 HydrophobicContact CZ-CD2 3.88Å; F331-V366 HydrophobicContact CD1-CG1 4.02Å; F331-V366 HydrophobicContact CE1-CG1 3.79Å; F331-V366 HydrophobicContact CE1-CG2 4.44Å
332	I	77.9	Confident	74.9	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-45.6	174.1	-68.6	-73.7	0	0	0	111.1	F328 S329 Y330 Q334 L335 K336 V366 E369 V370	F328-I332 HydrophobicContact CD1-CG1 4.15Å; F328-I332 HydrophobicContact CE1-CD1 4.34Å; F328-I332 HydrophobicContact CE1-CG1 3.82Å; F328-I332 HydrophobicContact CZ-CD1 4.12Å; F328-I332 HydrophobicContact CZ-CG1 4.04Å; F328-I332 VanDerWaalsContact O-CG1 3.3Å; F328-I332 WeakPolarHBondContact O-CG1 3.42Å; F328-I332 PolarHBondContact O-N 3.32Å; S329-I332 PolarHBondContact O-N 3.09Å; Y330-I332 VanDerWaalsContact C-N 3.33Å; Y330-I332 PolarHBondContact O-N 3.09Å; I332-Q334 VanDerWaalsContact C-N 3.32Å; I332-Q334 PolarHBondContact O-N 3.17Å; I332-L335 PolarHBondContact O-N 3.16Å; I332-K336 HydrophobicContact CG2-CD 4.45Å; I332-K336 HydrophobicContact CG2-CG 4.45Å; I332-K336 VanDerWaalsContact O-CG 3.31Å; I332-K336 WeakPolarHBondContact O-CG 3.28Å; I332-K336 PolarHBondContact O-N 3.49Å; I332-V366 HydrophobicContact CD1-CG1 3.73Å; I332-E369 HydrophobicContact CD1-CB 4.19Å; I332-E369 HydrophobicContact CD1-CG 4.15Å; I332-V370 HydrophobicContact CD1-CG2 4.16Å
333	E	73.3	Confident	75.8	Confident	67 Å²	67	43.5 Å²	43.5	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-61.2	-39.4	177	-67.3	-56.7	149.5	0	0	112.2	S329 Y330 K336 C337 K764	S329-E333 WeakPolarHBondContact O-CG 3.3Å; S329-E333 PolarHBondContact O-N 2.68Å; Y330-E333 PolarHBondContact O-N 2.65Å; Y330-E333 VanDerWaalsContact O-N 3.15Å; E333-K336 WeakPolarHBondContact O-CB 3.4Å; E333-K336 PolarHBondContact O-N 2.63Å; E333-K336 IonicContact OE1-NZ 2.78Å; E333-K336 PolarHBondContact OE1-NZ 3.22Å; E333-K336 IonicContact OE2-NZ 3.97Å; E333-C337 PolarHBondContact O-N 3.18Å; E333-K764 IonicContact OE1-NZ 2.79Å; E333-K764 PolarHBondContact OE1-NZ 2.97Å
334	Q	78.6	Confident	76.9	Confident	17 Å²	17	43.1 Å²	43.1	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-41.5	174.3	-66.1	-163.6	-39.4	0	0	112.4	F312 Y330 F331 I332 K336 C337	F312-Q334 HydrophobicContact CE1-CB 4.49Å; F312-Q334 HydrophobicContact CZ-CB 3.91Å; Y330-Q334 HydrophobicContact CD1-CG 4.22Å; Y330-Q334 HydrophobicContact CE1-CG 3.91Å; Y330-Q334 WeakPolarHBondContact O-CG 3.36Å; Y330-Q334 PolarHBondContact O-N 3.44Å; Y330-Q334 PolarHBondContact OH-NE2 2.95Å; F331-Q334 PolarHBondContact O-N 3.37Å; I332-Q334 VanDerWaalsContact C-N 3.32Å; I332-Q334 PolarHBondContact O-N 3.17Å; Q334-K336 VanDerWaalsContact C-N 3.29Å; Q334-K336 PolarHBondContact O-N 3.33Å; Q334-C337 WeakPolarHBondContact O-CB 3.5Å; Q334-C337 PolarHBondContact O-N 3.04Å
335	L	82.6	Confident	77.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67	-30.3	177.2	-68.3	176.1	0	0	0	112.3	F312 F331 I332 C337 L338 W343 W350 V366 V370	F312-L335 HydrophobicContact CD1-CD2 4.1Å; F312-L335 HydrophobicContact CE1-CD2 3.7Å; F312-L335 HydrophobicContact CE1-CG 4.2Å; F312-L335 HydrophobicContact CZ-CD2 4.49Å; F331-L335 HydrophobicContact CD1-CD1 3.75Å; F331-L335 HydrophobicContact CE1-CD1 3.59Å; F331-L335 HydrophobicContact CG-CD1 4.33Å; F331-L335 HydrophobicContact CZ-CD1 4.04Å; F331-L335 WeakPolarHBondContact O-CB 3.04Å; F331-L335 VanDerWaalsContact O-CG 3.24Å; F331-L335 WeakPolarHBondContact O-CG 3.28Å; F331-L335 PolarHBondContact O-N 3.24Å; I332-L335 PolarHBondContact O-N 3.16Å; L335-C337 PolarHBondContact O-N 2.85Å; L335-L338 HydrophobicContact CD2-CD1 3.49Å; L335-L338 VanDerWaalsContact CD2-CD1 3.49Å; L335-L338 HydrophobicContact CD2-CG 4.48Å; L335-L338 WeakPolarHBondContact O-CB 3.01Å; L335-L338 PolarHBondContact O-N 3.32Å; L335-W343 HydrophobicContact CB-CH2 3.93Å; L335-W343 HydrophobicContact CB-CZ2 4.05Å; L335-W343 HydrophobicContact CD1-CH2 4.17Å; L335-W343 HydrophobicContact CD2-CH2 3.87Å; L335-W343 HydrophobicContact CD2-CZ3 4.17Å; L335-W343 HydrophobicContact CG-CH2 4.21Å; L335-W350 HydrophobicContact CD1-CH2 4.32Å; L335-W350 HydrophobicContact CD2-CH2 4.21Å; L335-W350 HydrophobicContact CD2-CZ2 4.37Å; L335-V366 HydrophobicContact CD1-CG1 3.26Å; L335-V370 HydrophobicContact CB-CG2 3.56Å; L335-V370 HydrophobicContact CD1-CG2 4.1Å
336	K	80.3	Confident	78.7	Confident	79 Å²	79	47 Å²	47	34%	0.343	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-29.8	172.9	-74.6	175.4	-176.7	169.5	0	112.7	I332 E333 Q334 L338 V370 T372	I332-K336 HydrophobicContact CG2-CD 4.45Å; I332-K336 HydrophobicContact CG2-CG 4.45Å; I332-K336 VanDerWaalsContact O-CG 3.31Å; I332-K336 WeakPolarHBondContact O-CG 3.28Å; I332-K336 PolarHBondContact O-N 3.49Å; E333-K336 WeakPolarHBondContact O-CB 3.4Å; E333-K336 PolarHBondContact O-N 2.63Å; E333-K336 IonicContact OE1-NZ 2.78Å; E333-K336 PolarHBondContact OE1-NZ 3.22Å; E333-K336 IonicContact OE2-NZ 3.97Å; Q334-K336 VanDerWaalsContact C-N 3.29Å; Q334-K336 PolarHBondContact O-N 3.33Å; K336-L338 VanDerWaalsContact C-N 3.27Å; K336-L338 PolarHBondContact O-N 3.02Å; K336-V370 HydrophobicContact CB-CG1 4.3Å; K336-V370 HydrophobicContact CG-CG1 3.78Å; K336-T372 HydrophobicContact CB-CG2 3.73Å; K336-T372 HydrophobicContact CG-CG2 3.7Å
337	C	79.3	Confident	79.8	Confident	48 Å²	48	44.1 Å²	44.1	32%	0.324	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-12.5	177.7	-66.1	0	0	0	0	113.6	E333 Q334 L335	E333-C337 PolarHBondContact O-N 3.18Å; Q334-C337 WeakPolarHBondContact O-CB 3.5Å; Q334-C337 PolarHBondContact O-N 3.04Å; L335-C337 PolarHBondContact O-N 2.85Å
338	L	82.7	Confident	80.4	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.21	C	C	.	.			trans	-71.4	134.7	-175.4	-62.5	179.5	0	0	0	112	I308 L335 K336 Q342 W343 V346 S374	I308-L338 HydrophobicContact CD1-CD2 3.89Å; I308-L338 HydrophobicContact CG1-CD2 4.15Å; L335-L338 HydrophobicContact CD2-CD1 3.49Å; L335-L338 VanDerWaalsContact CD2-CD1 3.49Å; L335-L338 HydrophobicContact CD2-CG 4.48Å; L335-L338 WeakPolarHBondContact O-CB 3.01Å; L335-L338 PolarHBondContact O-N 3.32Å; K336-L338 VanDerWaalsContact C-N 3.27Å; K336-L338 PolarHBondContact O-N 3.02Å; L338-Q342 HydrophobicContact CB-CB 4.31Å; L338-Q342 HydrophobicContact CD2-CB 4.05Å; L338-W343 HydrophobicContact CB-CD2 4.4Å; L338-W343 HydrophobicContact CB-CG 4.32Å; L338-W343 HydrophobicContact CD1-CD2 4.04Å; L338-W343 HydrophobicContact CD1-CE3 4.18Å; L338-W343 HydrophobicContact CD1-CH2 4.32Å; L338-W343 HydrophobicContact CD1-CZ2 4.16Å; L338-W343 HydrophobicContact CD1-CZ3 4.3Å; L338-V346 HydrophobicContact CD1-CB 4.47Å; L338-V346 HydrophobicContact CD1-CG2 4.02Å; L338-V346 HydrophobicContact CD2-CG2 4.5Å; L338-S374 WeakPolarHBondContact O-CB 3.42Å; L338-S374 PolarHBondContact O-OG 3.15Å
339	T	85.1	Confident	80.7	Confident	74 Å²	74	43.9 Å²	43.9	45%	0.454	22%	0.218	S	C	.	.			trans	-77.5	166.1	167.9	61.8	0	0	0	0	111.4	E341 Q342 W343	T339-E341 VanDerWaalsContact C-N 3.33Å; T339-E341 PolarHBondContact O-N 2.83Å; T339-Q342 PolarHBondContact O-N 3.35Å; T339-Q342 VanDerWaalsContact OG1-CD 3.25Å; T339-Q342 VanDerWaalsContact OG1-CG 3.29Å; T339-Q342 WeakPolarHBondContact OG1-CG 3.32Å; T339-Q342 PolarHBondContact OG1-OE1 3.2Å; T339-W343 VanDerWaalsContact O-CD1 3.31Å; T339-W343 PolarHBondContact O-N 3.32Å
340	Y	85	Confident	81.4	Confident	62 Å²	62	43.9 Å²	43.9	24%	0.243	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-41.1	179.3	171.7	-104.7	0	0	0	113.5	W343 K344 I377 F378 N381	Y340-W343 WeakPolarHBondContact O-CB 3.41Å; Y340-W343 PolarHBondContact O-N 2.81Å; Y340-K344 VanDerWaalsContact CE1-NZ 3.28Å; Y340-K344 PolarHBondContact O-N 3.03Å; Y340-K344 VanDerWaalsContact OH-CE 3.29Å; Y340-K344 WeakPolarHBondContact OH-CE 3.24Å; Y340-I377 HydrophobicContact CD2-CB 4.31Å; Y340-I377 HydrophobicContact CD2-CG2 3.77Å; Y340-I377 HydrophobicContact CE2-CG2 3.92Å; Y340-I377 HydrophobicContact CG-CG2 4.46Å; Y340-F378 HydrophobicContact CD2-CB 4.08Å; Y340-F378 HydrophobicContact CE2-CB 4.32Å; Y340-F378 HydrophobicContact CE2-CD2 4.46Å; Y340-N381 HydrophobicContact CE2-CB 4.29Å
341	E	82.8	Confident	81.8	Confident	109 Å²	109	43.1 Å²	43.1	51%	0.509	22%	0.218	S	C	.	.	H	α-helix	trans	-70	-37.8	177.3	-66.3	-58.3	151.1	0	0	112	T339 W343 K344 I345	T339-E341 VanDerWaalsContact C-N 3.33Å; T339-E341 PolarHBondContact O-N 2.83Å; E341-W343 VanDerWaalsContact C-N 3.31Å; E341-W343 PolarHBondContact O-N 2.81Å; E341-K344 VanDerWaalsContact CD-NZ 3.26Å; E341-K344 WeakPolarHBondContact O-CB 3.24Å; E341-K344 PolarHBondContact O-N 2.86Å; E341-K344 IonicContact OE1-NZ 2.86Å; E341-K344 PolarHBondContact OE1-NZ 2.82Å; E341-K344 WeakPolarHBondContact OE2-CD 3.45Å; E341-K344 IonicContact OE2-NZ 3.47Å; E341-K344 PolarHBondContact OE2-NZ 2.83Å; E341-I345 PolarHBondContact O-N 2.79Å
342	Q	84.4	Confident	81.7	Confident	56 Å²	56	50.6 Å²	50.6	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-35.8	174.7	-72.1	167.2	-29.4	0	0	111.9	I308 L338 T339 K344 I345 V346	I308-Q342 VanDerWaalsContact CD1-NE2 3.27Å; L338-Q342 HydrophobicContact CB-CB 4.31Å; L338-Q342 HydrophobicContact CD2-CB 4.05Å; T339-Q342 PolarHBondContact O-N 3.35Å; T339-Q342 VanDerWaalsContact OG1-CD 3.25Å; T339-Q342 VanDerWaalsContact OG1-CG 3.29Å; T339-Q342 WeakPolarHBondContact OG1-CG 3.32Å; T339-Q342 PolarHBondContact OG1-OE1 3.2Å; Q342-K344 VanDerWaalsContact C-N 3.31Å; Q342-K344 PolarHBondContact O-N 2.68Å; Q342-I345 PolarHBondContact O-N 2.89Å; Q342-V346 WeakPolarHBondContact O-CG2 3.4Å; Q342-V346 PolarHBondContact O-N 2.88Å
343	W	86	Confident	81.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-41.3	172.9	-89.1	112.9	0	0	0	112.7	L335 L338 T339 Y340 E341 Y347 W350 I367 V370 F378	L335-W343 HydrophobicContact CB-CH2 3.93Å; L335-W343 HydrophobicContact CB-CZ2 4.05Å; L335-W343 HydrophobicContact CD1-CH2 4.17Å; L335-W343 HydrophobicContact CD2-CH2 3.87Å; L335-W343 HydrophobicContact CD2-CZ3 4.17Å; L335-W343 HydrophobicContact CG-CH2 4.21Å; L338-W343 HydrophobicContact CB-CD2 4.4Å; L338-W343 HydrophobicContact CB-CG 4.32Å; L338-W343 HydrophobicContact CD1-CD2 4.04Å; L338-W343 HydrophobicContact CD1-CE3 4.18Å; L338-W343 HydrophobicContact CD1-CH2 4.32Å; L338-W343 HydrophobicContact CD1-CZ2 4.16Å; L338-W343 HydrophobicContact CD1-CZ3 4.3Å; T339-W343 VanDerWaalsContact O-CD1 3.31Å; T339-W343 PolarHBondContact O-N 3.32Å; Y340-W343 WeakPolarHBondContact O-CB 3.41Å; Y340-W343 PolarHBondContact O-N 2.81Å; E341-W343 VanDerWaalsContact C-N 3.31Å; E341-W343 PolarHBondContact O-N 2.81Å; W343-Y347 VanDerWaalsContact O-CB 3.29Å; W343-Y347 WeakPolarHBondContact O-CB 3.49Å; W343-Y347 PolarHBondContact O-N 2.87Å; W343-W350 HydrophobicContact CZ3-CH2 4.34Å; W343-W350 HydrophobicContact CZ3-CZ3 4.4Å; W343-I367 HydrophobicContact CH2-CB 4.43Å; W343-I367 HydrophobicContact CH2-CG1 4.12Å; W343-I367 HydrophobicContact CH2-CG2 4.22Å; W343-I367 HydrophobicContact CZ3-CB 4.4Å; W343-I367 HydrophobicContact CZ3-CD1 4.36Å; W343-I367 HydrophobicContact CZ3-CG1 3.71Å; W343-I367 HydrophobicContact CZ3-CG2 4.16Å; W343-V370 HydrophobicContact CH2-CG2 4.03Å; W343-V370 HydrophobicContact CZ2-CB 4.24Å; W343-V370 HydrophobicContact CZ2-CG1 4.05Å; W343-V370 HydrophobicContact CZ2-CG2 4Å; W343-F378 HydrophobicContact CB-CB 3.96Å; W343-F378 HydrophobicContact CB-CD1 4.22Å; W343-F378 HydrophobicContact CB-CD2 3.68Å; W343-F378 HydrophobicContact CB-CE2 4.25Å; W343-F378 HydrophobicContact CB-CG 3.67Å; W343-F378 HydrophobicContact CG-CB 4.19Å; W343-F378 HydrophobicContact CG-CG 4.2Å
344	K	84.9	Confident	81.2	Confident	74 Å²	74	52.4 Å²	52.4	32%	0.322	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-44.9	175.6	-64.9	178.5	-168	158.1	0	111.6	Y340 E341 Q342 S348 F378	Y340-K344 VanDerWaalsContact CE1-NZ 3.28Å; Y340-K344 PolarHBondContact O-N 3.03Å; Y340-K344 VanDerWaalsContact OH-CE 3.29Å; Y340-K344 WeakPolarHBondContact OH-CE 3.24Å; E341-K344 VanDerWaalsContact CD-NZ 3.26Å; E341-K344 WeakPolarHBondContact O-CB 3.24Å; E341-K344 PolarHBondContact O-N 2.86Å; E341-K344 IonicContact OE1-NZ 2.86Å; E341-K344 PolarHBondContact OE1-NZ 2.82Å; E341-K344 WeakPolarHBondContact OE2-CD 3.45Å; E341-K344 IonicContact OE2-NZ 3.47Å; E341-K344 PolarHBondContact OE2-NZ 2.83Å; Q342-K344 VanDerWaalsContact C-N 3.31Å; Q342-K344 PolarHBondContact O-N 2.68Å; K344-S348 WeakPolarHBondContact O-CB 3.13Å; K344-S348 PolarHBondContact O-N 3.5Å; K344-S348 PolarHBondContact O-OG 2.99Å; K344-S348 VanDerWaalsContact O-OG 3.13Å; K344-F378 HydrophobicContact CB-CE2 4.42Å; K344-F378 HydrophobicContact CG-CD2 4.15Å; K344-F378 HydrophobicContact CG-CE2 3.94Å
345	I	81.6	Confident	80.7	Confident	115 Å²	115	60.5 Å²	60.5	59%	0.59	30%	0.302	S	S	*	.	H	α-helix	trans	-63.3	-52.4	179.7	-62.1	167.9	0	0	0	110.1	E341 Q342 Y347 S348 S349	E341-I345 PolarHBondContact O-N 2.79Å; Q342-I345 PolarHBondContact O-N 2.89Å; I345-Y347 PolarHBondContact O-N 3.28Å; I345-S348 PolarHBondContact O-N 2.74Å; I345-S348 PolarHBondContact O-OG 2.76Å; I345-S349 PolarHBondContact O-N 2.81Å
346	V	83.1	Confident	80.1	Confident	8 Å²	8	63.1 Å²	63.1	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-45.9	-179.9	173	0	0	0	0	110.9	L338 Q342 S349 W350	L338-V346 HydrophobicContact CD1-CB 4.47Å; L338-V346 HydrophobicContact CD1-CG2 4.02Å; L338-V346 HydrophobicContact CD2-CG2 4.5Å; Q342-V346 WeakPolarHBondContact O-CG2 3.4Å; Q342-V346 PolarHBondContact O-N 2.88Å; V346-S349 PolarHBondContact O-N 2.75Å; V346-S349 PolarHBondContact O-OG 3.38Å; V346-W350 HydrophobicContact CG1-CD2 4.12Å; V346-W350 HydrophobicContact CG1-CH2 4.08Å; V346-W350 HydrophobicContact CG1-CZ2 3.59Å; V346-W350 PolarHBondContact O-N 3.46Å; V346-W350 VanDerWaalsContact O-N 3.07Å
347	Y	85.1	Confident	79.6	Confident	8 Å²	8	65.3 Å²	65.3	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-66.5	-42.5	179.7	-170.8	-103.8	0	0	0	112.7	W343 I345 S349 W350 E351 R360 E364 I367 F378 H382 F383	W343-Y347 VanDerWaalsContact O-CB 3.29Å; W343-Y347 WeakPolarHBondContact O-CB 3.49Å; W343-Y347 PolarHBondContact O-N 2.87Å; I345-Y347 PolarHBondContact O-N 3.28Å; Y347-S349 VanDerWaalsContact C-N 3.25Å; Y347-S349 PolarHBondContact O-N 2.89Å; Y347-W350 HydrophobicContact CD2-CE3 4.09Å; Y347-W350 WeakPolarHBondContact O-CB 3.17Å; Y347-W350 PolarHBondContact O-N 3.03Å; Y347-E351 HydrophobicContact CD1-CG 4.02Å; Y347-E351 HydrophobicContact CE1-CG 3.53Å; Y347-E351 PolarHBondContact O-N 2.78Å; Y347-R360 PolarHBondContact OH-NH2 2.89Å; Y347-E364 PolarHBondContact OH-OE1 3.16Å; Y347-I367 HydrophobicContact CD2-CD1 3.81Å; Y347-I367 HydrophobicContact CE2-CD1 4.1Å; Y347-F378 HydrophobicContact CD1-CZ 4.04Å; Y347-F378 HydrophobicContact CD2-CE1 4.49Å; Y347-F378 HydrophobicContact CG-CE1 4.19Å; Y347-F378 AromaticContact CG-CZ 3.78Å; Y347-F378 HydrophobicContact CG-CZ 3.78Å; Y347-H382 AromaticContact CD1-NE2 3.49Å; Y347-H382 WeakPolarHBondContact CD1-NE2 3.45Å; Y347-H382 AromaticContact CE1-CD2 3.96Å; Y347-H382 AromaticContact CE1-NE2 3.32Å; Y347-H382 VanDerWaalsContact CE1-NE2 3.32Å; Y347-H382 WeakPolarHBondContact CE1-NE2 3.35Å; Y347-F383 HydrophobicContact CD2-CZ 4.25Å; Y347-F383 HydrophobicContact CE1-CE1 4.04Å; Y347-F383 AromaticContact CE1-CZ 3.97Å; Y347-F383 HydrophobicContact CE1-CZ 3.97Å; Y347-F383 HydrophobicContact CE2-CE1 4.26Å; Y347-F383 AromaticContact CE2-CZ 3.61Å; Y347-F383 HydrophobicContact CE2-CZ 3.61Å; Y347-F383 AromaticContact CZ-CE1 3.64Å; Y347-F383 AromaticContact CZ-CZ 3.45Å; Y347-F383 VanDerWaalsContact CZ-CZ 3.45Å; Y347-F383 WeakPolarHBondContact OH-CE1 3.32Å
348	S	82.8	Confident	79	Confident	52 Å²	52	69.4 Å²	69.4	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-58.1	-40.5	175.1	64.7	0	0	0	0	111.7	K344 I345 W350 E351 E352	K344-S348 WeakPolarHBondContact O-CB 3.13Å; K344-S348 PolarHBondContact O-N 3.5Å; K344-S348 PolarHBondContact O-OG 2.99Å; K344-S348 VanDerWaalsContact O-OG 3.13Å; I345-S348 PolarHBondContact O-N 2.74Å; I345-S348 PolarHBondContact O-OG 2.76Å; S348-W350 VanDerWaalsContact C-N 3.31Å; S348-W350 PolarHBondContact O-N 2.94Å; S348-E351 PolarHBondContact O-N 2.8Å; S348-E352 WeakPolarHBondContact O-CG 3.25Å; S348-E352 PolarHBondContact O-N 2.79Å
349	S	80.6	Confident	78.5	Confident	24 Å²	24	69.5 Å²	69.5	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-65.9	-31.5	176	81.5	0	0	0	0	113.3	T313 I345 V346 Y347 N353	T313-S349 WeakPolarHBondContact CG2-OG 3.29Å; I345-S349 PolarHBondContact O-N 2.81Å; V346-S349 PolarHBondContact O-N 2.75Å; V346-S349 PolarHBondContact O-OG 3.38Å; Y347-S349 VanDerWaalsContact C-N 3.25Å; Y347-S349 PolarHBondContact O-N 2.89Å; S349-N353 WeakPolarHBondContact O-CB 3.01Å; S349-N353 PolarHBondContact O-N 3.27Å; S349-N353 VanDerWaalsContact O-N 3.14Å; S349-N353 PolarHBondContact O-ND2 2.59Å
350	W	82.9	Confident	78.1	Confident	9 Å²	9	69.9 Å²	69.9	3%	0.034	34%	0.342	C	S	.	.	H	α-helix	trans	-72	-41.3	174	-71.3	-12	0	0	0	111.6	F312 F331 L335 W343 V346 Y347 S348 E352 I354 L363 I367	F312-W350 HydrophobicContact CD1-CZ2 4.4Å; F312-W350 PolarHBondContact O-NE1 3.35Å; F331-W350 HydrophobicContact CZ-CH2 4.31Å; F331-W350 AromaticContact CZ-CZ2 3.82Å; F331-W350 HydrophobicContact CZ-CZ2 3.82Å; L335-W350 HydrophobicContact CD1-CH2 4.32Å; L335-W350 HydrophobicContact CD2-CH2 4.21Å; L335-W350 HydrophobicContact CD2-CZ2 4.37Å; W343-W350 HydrophobicContact CZ3-CH2 4.34Å; W343-W350 HydrophobicContact CZ3-CZ3 4.4Å; V346-W350 HydrophobicContact CG1-CD2 4.12Å; V346-W350 HydrophobicContact CG1-CH2 4.08Å; V346-W350 HydrophobicContact CG1-CZ2 3.59Å; V346-W350 PolarHBondContact O-N 3.46Å; V346-W350 VanDerWaalsContact O-N 3.07Å; Y347-W350 HydrophobicContact CD2-CE3 4.09Å; Y347-W350 WeakPolarHBondContact O-CB 3.17Å; Y347-W350 PolarHBondContact O-N 3.03Å; S348-W350 VanDerWaalsContact C-N 3.31Å; S348-W350 PolarHBondContact O-N 2.94Å; W350-E352 VanDerWaalsContact C-N 3.29Å; W350-E352 PolarHBondContact O-N 2.84Å; W350-I354 HydrophobicContact CB-CD1 3.72Å; W350-I354 HydrophobicContact CG-CD1 3.87Å; W350-I354 VanDerWaalsContact O-CB 3.22Å; W350-I354 WeakPolarHBondContact O-CB 3.2Å; W350-I354 VanDerWaalsContact O-CG1 3.26Å; W350-I354 WeakPolarHBondContact O-CG1 3.45Å; W350-I354 PolarHBondContact O-N 3.38Å; W350-I354 VanDerWaalsContact O-N 3.12Å; W350-L363 HydrophobicContact CB-CD1 4.46Å; W350-L363 HydrophobicContact CD2-CB 4.41Å; W350-L363 HydrophobicContact CD2-CD1 3.7Å; W350-L363 HydrophobicContact CD2-CG 4.46Å; W350-L363 HydrophobicContact CE3-CB 3.87Å; W350-L363 HydrophobicContact CE3-CD1 4Å; W350-L363 HydrophobicContact CE3-CG 4.38Å; W350-L363 HydrophobicContact CG-CD1 3.91Å; W350-L363 HydrophobicContact CH2-CB 4.41Å; W350-L363 HydrophobicContact CH2-CD2 3.97Å; W350-L363 HydrophobicContact CZ2-CD1 4.49Å; W350-L363 HydrophobicContact CZ2-CD2 3.92Å; W350-L363 HydrophobicContact CZ3-CB 3.86Å; W350-L363 HydrophobicContact CZ3-CD2 4.28Å; W350-L363 HydrophobicContact CZ3-CG 4.45Å; W350-I367 HydrophobicContact CZ3-CD1 4.01Å; W350-I367 HydrophobicContact CZ3-CG1 3.92Å
351	E	79.5	Confident	77.4	Confident	95 Å²	95	68.5 Å²	68.5	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-35.7	175.8	-70.3	-156.7	124.6	0	0	112.5	Y347 S348 R360	Y347-E351 HydrophobicContact CD1-CG 4.02Å; Y347-E351 HydrophobicContact CE1-CG 3.53Å; Y347-E351 PolarHBondContact O-N 2.78Å; S348-E351 PolarHBondContact O-N 2.8Å; E351-R360 IonicContact OE1-CZ 2.69Å; E351-R360 IonicContact OE1-NH2 2.85Å; E351-R360 PolarHBondContact OE1-NH2 3.27Å
352	E	78	Confident	77.1	Confident	157 Å²	157	64 Å²	64	73%	0.734	32%	0.317	S	S	*	.	H	α-helix	trans	-75.2	-41.3	178.9	-71.6	176.9	179.4	0	0	113.3	S348 W350	S348-E352 WeakPolarHBondContact O-CG 3.25Å; S348-E352 PolarHBondContact O-N 2.79Å; W350-E352 VanDerWaalsContact C-N 3.29Å; W350-E352 PolarHBondContact O-N 2.84Å
353	N	71.2	Confident	76.8	Confident	89 Å²	89	61.5 Å²	61.5	48%	0.476	31%	0.306	S	S	.	.	H	α-helix	trans	-97.6	-16.9	-168	-67.2	-54.1	0	0	0	115.2	S349	S349-N353 WeakPolarHBondContact O-CB 3.01Å; S349-N353 PolarHBondContact O-N 3.27Å; S349-N353 VanDerWaalsContact O-N 3.14Å; S349-N353 PolarHBondContact O-ND2 2.59Å
354	I	69.6	Low	76.5	Confident	23 Å²	23	62.2 Å²	62.2	12%	0.118	31%	0.309	C	S	.	.			trans	-100.6	108.6	-169.8	-58.5	178.8	0	0	0	111.1	I318 W350 I359 R360 L363	I318-I354 HydrophobicContact CD1-CD1 3.99Å; W350-I354 HydrophobicContact CB-CD1 3.72Å; W350-I354 HydrophobicContact CG-CD1 3.87Å; W350-I354 VanDerWaalsContact O-CB 3.22Å; W350-I354 WeakPolarHBondContact O-CB 3.2Å; W350-I354 VanDerWaalsContact O-CG1 3.26Å; W350-I354 WeakPolarHBondContact O-CG1 3.45Å; W350-I354 PolarHBondContact O-N 3.38Å; W350-I354 VanDerWaalsContact O-N 3.12Å; I354-I359 HydrophobicContact CD1-CG2 4.14Å; I354-I359 HydrophobicContact CG2-CB 3.83Å; I354-I359 HydrophobicContact CG2-CG2 3.69Å; I354-R360 HydrophobicContact CG2-CB 4.44Å; I354-L363 HydrophobicContact CD1-CD1 3.03Å; I354-L363 HydrophobicContact CD1-CG 4.48Å
355	Q	66.6	Low	75.9	Confident	187 Å²	187	59.7 Å²	59.7	87%	0.874	30%	0.299	S	S	*	.			trans	-87.4	-23.9	-178	-65.7	-178.8	-8	0	0	114.3
356	T	71.7	Confident	75.8	Confident	55 Å²	55	54.2 Å²	54.2	34%	0.337	27%	0.271	S	S	.	.			trans	-92.5	126.3	-175.6	53.5	0	0	0	0	111.9	H315 E358 I359 R360	H315-T356 PolarHBondContact CE1-OG1 3.36Å; T356-E358 PolarHBondContact O-N 3.49Å; T356-I359 PolarHBondContact O-N 3.19Å; T356-I359 VanDerWaalsContact O-N 3.16Å; T356-I359 WeakPolarHBondContact OG1-CB 3.4Å; T356-I359 WeakPolarHBondContact OG1-CD1 3.15Å; T356-I359 VanDerWaalsContact OG1-CG1 3.24Å; T356-I359 WeakPolarHBondContact OG1-CG1 3.38Å; T356-R360 PolarHBondContact O-N 2.79Å; T356-R360 VanDerWaalsContact O-N 3.1Å
357	N	69.1	Low	75.7	Confident	125 Å²	125	53.9 Å²	53.9	67%	0.668	27%	0.269	S	S	*	.	H	α-helix	trans	-57.3	-34.2	176	-74.3	-10.8	0	0	0	112.4	I359 R360 N361	N357-I359 PolarHBondContact O-N 2.86Å; N357-R360 PolarHBondContact O-N 3.04Å; N357-N361 WeakPolarHBondContact O-CB 3.2Å; N357-N361 VanDerWaalsContact O-CG 3.27Å; N357-N361 PolarHBondContact O-N 2.9Å; N357-N361 PolarHBondContact O-ND2 2.87Å
358	E	66.1	Low	75.2	Confident	134 Å²	134	54.5 Å²	54.5	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-59.2	-46.4	176.7	-65.9	-173.1	165.6	0	0	112.3	T356 F362	T356-E358 PolarHBondContact O-N 3.49Å; E358-F362 WeakPolarHBondContact O-CB 3.47Å; E358-F362 PolarHBondContact O-N 3.03Å
359	I	72.5	Confident	74.7	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-72.8	-39.4	-179.4	-65.9	-177.4	0	0	0	110.8	H315 I318 N319 M322 I354 T356 N357 N361 F362 L363	H315-I359 WeakPolarHBondContact CE1-CD1 3.49Å; H315-I359 WeakPolarHBondContact ND1-CD1 3.31Å; H315-I359 WeakPolarHBondContact NE2-CD1 3.43Å; I318-I359 HydrophobicContact CB-CG2 4.31Å; I318-I359 HydrophobicContact CD1-CG2 4.14Å; I318-I359 HydrophobicContact CG2-CG2 3.54Å; N319-I359 WeakPolarHBondContact OD1-CD1 3.26Å; M322-I359 HydrophobicContact CE-CD1 4.22Å; M322-I359 HydrophobicContact CE-CG1 3.76Å; I354-I359 HydrophobicContact CD1-CG2 4.14Å; I354-I359 HydrophobicContact CG2-CB 3.83Å; I354-I359 HydrophobicContact CG2-CG2 3.69Å; T356-I359 PolarHBondContact O-N 3.19Å; T356-I359 VanDerWaalsContact O-N 3.16Å; T356-I359 WeakPolarHBondContact OG1-CB 3.4Å; T356-I359 WeakPolarHBondContact OG1-CD1 3.15Å; T356-I359 VanDerWaalsContact OG1-CG1 3.24Å; T356-I359 WeakPolarHBondContact OG1-CG1 3.38Å; N357-I359 PolarHBondContact O-N 2.86Å; I359-N361 VanDerWaalsContact C-N 3.34Å; I359-N361 PolarHBondContact O-N 2.89Å; I359-F362 WeakPolarHBondContact O-CB 3.46Å; I359-F362 PolarHBondContact O-N 2.87Å; I359-L363 HydrophobicContact CG2-CD1 4.01Å; I359-L363 HydrophobicContact CG2-CG 4.31Å; I359-L363 WeakPolarHBondContact O-CG 3.35Å; I359-L363 PolarHBondContact O-N 2.83Å
360	R	75.9	Confident	74.7	Confident	82 Å²	82	52.2 Å²	52.2	31%	0.309	25%	0.254	S	S	.	.	H	α-helix	trans	-57.9	-48.4	174.6	-175.5	-177.8	177.4	141.6	16.7	110.9	Y347 E351 I354 T356 N357 F362 L363 E364	Y347-R360 PolarHBondContact OH-NH2 2.89Å; E351-R360 IonicContact OE1-CZ 2.69Å; E351-R360 IonicContact OE1-NH2 2.85Å; E351-R360 PolarHBondContact OE1-NH2 3.27Å; I354-R360 HydrophobicContact CG2-CB 4.44Å; T356-R360 PolarHBondContact O-N 2.79Å; T356-R360 VanDerWaalsContact O-N 3.1Å; N357-R360 PolarHBondContact O-N 3.04Å; R360-F362 VanDerWaalsContact C-N 3.31Å; R360-F362 PolarHBondContact O-N 3.12Å; R360-L363 PolarHBondContact O-N 3.32Å; R360-E364 IonicContact CZ-OE1 2.71Å; R360-E364 IonicContact NE-OE1 2.83Å; R360-E364 PolarHBondContact NE-OE1 3.49Å; R360-E364 IonicContact NH2-OE1 3.52Å; R360-E364 WeakPolarHBondContact O-CG 3.39Å; R360-E364 PolarHBondContact O-N 3.49Å
361	N	71.7	Confident	74.4	Confident	33 Å²	33	54 Å²	54	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-39.9	176.5	-76	-20.9	0	0	0	111.8	N357 I359 N365	N357-N361 WeakPolarHBondContact O-CB 3.2Å; N357-N361 VanDerWaalsContact O-CG 3.27Å; N357-N361 PolarHBondContact O-N 2.9Å; N357-N361 PolarHBondContact O-ND2 2.87Å; I359-N361 VanDerWaalsContact C-N 3.34Å; I359-N361 PolarHBondContact O-N 2.89Å; N361-N365 WeakPolarHBondContact O-CB 3.22Å; N361-N365 VanDerWaalsContact O-CG 3.28Å; N361-N365 PolarHBondContact O-N 3.06Å; N361-N365 VanDerWaalsContact O-N 3.13Å; N361-N365 PolarHBondContact O-ND2 2.96Å
362	F	75.3	Confident	74.5	Confident	15 Å²	15	50.9 Å²	50.9	7%	0.066	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-47.2	174.6	172.8	-100.9	0	0	0	112.2	I318 I321 M322 F328 E358 I359 R360 N365 V366 A759 Y786	I318-F362 HydrophobicContact CG2-CD1 4.02Å; I318-F362 HydrophobicContact CG2-CE1 4.16Å; I321-F362 HydrophobicContact CG2-CE1 4.13Å; I321-F362 HydrophobicContact CG2-CZ 3.94Å; M322-F362 HydrophobicContact CG-CD1 3.7Å; M322-F362 HydrophobicContact CG-CD2 3.76Å; M322-F362 HydrophobicContact CG-CE1 3.65Å; M322-F362 HydrophobicContact CG-CE2 3.7Å; M322-F362 HydrophobicContact CG-CG 3.75Å; M322-F362 HydrophobicContact CG-CZ 3.64Å; M322-F362 HydrophobicContact SD-CB 4Å; M322-F362 HydrophobicContact SD-CD1 4.05Å; M322-F362 HydrophobicContact SD-CD2 4.04Å; M322-F362 HydrophobicContact SD-CG 3.75Å; F328-F362 HydrophobicContact CD2-CE2 4.33Å; F328-F362 AromaticContact CD2-CZ 3.77Å; F328-F362 HydrophobicContact CD2-CZ 3.77Å; F328-F362 AromaticContact CE2-CE2 3.95Å; F328-F362 HydrophobicContact CE2-CE2 3.95Å; F328-F362 AromaticContact CE2-CZ 3.67Å; F328-F362 HydrophobicContact CE2-CZ 3.67Å; E358-F362 WeakPolarHBondContact O-CB 3.47Å; E358-F362 PolarHBondContact O-N 3.03Å; I359-F362 WeakPolarHBondContact O-CB 3.46Å; I359-F362 PolarHBondContact O-N 2.87Å; R360-F362 VanDerWaalsContact C-N 3.31Å; R360-F362 PolarHBondContact O-N 3.12Å; F362-N365 WeakPolarHBondContact O-CB 3.46Å; F362-N365 PolarHBondContact O-N 3.49Å; F362-V366 HydrophobicContact CD1-CG2 4.32Å; F362-V366 HydrophobicContact CE1-CG2 3.86Å; F362-V366 HydrophobicContact CE2-CG2 4.27Å; F362-V366 HydrophobicContact CZ-CG2 3.84Å; F362-V366 WeakPolarHBondContact O-CG2 3.47Å; F362-V366 PolarHBondContact O-N 3.12Å; F362-A759 HydrophobicContact CD2-CB 3.91Å; F362-A759 HydrophobicContact CE2-CB 3.77Å; F362-Y786 HydrophobicContact CE2-CD1 4.19Å; F362-Y786 AromaticContact CE2-CE1 3.75Å; F362-Y786 HydrophobicContact CE2-CE1 3.75Å; F362-Y786 HydrophobicContact CZ-CE1 4.47Å
363	L	79.7	Confident	74.7	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-71.1	-39.6	-178.6	-68.5	173	0	0	0	112.8	I318 F331 W350 I354 I359 R360 N365 V366 I367	I318-L363 HydrophobicContact CD1-CD1 4.07Å; I318-L363 HydrophobicContact CG2-CD2 4.27Å; F331-L363 HydrophobicContact CE1-CD2 3.91Å; F331-L363 HydrophobicContact CZ-CD2 3.88Å; W350-L363 HydrophobicContact CB-CD1 4.46Å; W350-L363 HydrophobicContact CD2-CB 4.41Å; W350-L363 HydrophobicContact CD2-CD1 3.7Å; W350-L363 HydrophobicContact CD2-CG 4.46Å; W350-L363 HydrophobicContact CE3-CB 3.87Å; W350-L363 HydrophobicContact CE3-CD1 4Å; W350-L363 HydrophobicContact CE3-CG 4.38Å; W350-L363 HydrophobicContact CG-CD1 3.91Å; W350-L363 HydrophobicContact CH2-CB 4.41Å; W350-L363 HydrophobicContact CH2-CD2 3.97Å; W350-L363 HydrophobicContact CZ2-CD1 4.49Å; W350-L363 HydrophobicContact CZ2-CD2 3.92Å; W350-L363 HydrophobicContact CZ3-CB 3.86Å; W350-L363 HydrophobicContact CZ3-CD2 4.28Å; W350-L363 HydrophobicContact CZ3-CG 4.45Å; I354-L363 HydrophobicContact CD1-CD1 3.03Å; I354-L363 HydrophobicContact CD1-CG 4.48Å; I359-L363 HydrophobicContact CG2-CD1 4.01Å; I359-L363 HydrophobicContact CG2-CG 4.31Å; I359-L363 WeakPolarHBondContact O-CG 3.35Å; I359-L363 PolarHBondContact O-N 2.83Å; R360-L363 PolarHBondContact O-N 3.32Å; L363-N365 PolarHBondContact O-N 2.77Å; L363-V366 WeakPolarHBondContact O-CA 3.36Å; L363-V366 WeakPolarHBondContact O-CB 3.28Å; L363-V366 PolarHBondContact O-N 3.37Å; L363-I367 WeakPolarHBondContact O-CG1 3.05Å; L363-I367 PolarHBondContact O-N 3.35Å; L363-I367 VanDerWaalsContact O-N 3.08Å
364	E	77.8	Confident	75.4	Confident	15 Å²	15	43.6 Å²	43.6	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-56	-41.1	171.9	-73.7	-178.7	-173	0	0	110.9	Y347 R360 I367 K395 W396	Y347-E364 PolarHBondContact OH-OE1 3.16Å; R360-E364 IonicContact CZ-OE1 2.71Å; R360-E364 IonicContact NE-OE1 2.83Å; R360-E364 PolarHBondContact NE-OE1 3.49Å; R360-E364 IonicContact NH2-OE1 3.52Å; R360-E364 WeakPolarHBondContact O-CG 3.39Å; R360-E364 PolarHBondContact O-N 3.49Å; E364-I367 PolarHBondContact O-N 2.84Å; E364-K395 IonicContact OE2-NZ 2.78Å; E364-K395 PolarHBondContact OE2-NZ 2.65Å; E364-W396 HydrophobicContact CB-CH2 3.99Å; E364-W396 HydrophobicContact CB-CZ2 3.82Å; E364-W396 HydrophobicContact CG-CH2 4.4Å; E364-W396 HydrophobicContact CG-CZ2 3.86Å; E364-W396 WeakPolarHBondContact O-CH2 3.34Å
365	N	73.4	Confident	76.1	Confident	22 Å²	22	42.5 Å²	42.5	12%	0.118	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-35.4	173.5	-74.5	-28.4	0	0	0	113.4	N361 F362 L363 L368 E369 N757	N361-N365 WeakPolarHBondContact O-CB 3.22Å; N361-N365 VanDerWaalsContact O-CG 3.28Å; N361-N365 PolarHBondContact O-N 3.06Å; N361-N365 VanDerWaalsContact O-N 3.13Å; N361-N365 PolarHBondContact O-ND2 2.96Å; F362-N365 WeakPolarHBondContact O-CB 3.46Å; F362-N365 PolarHBondContact O-N 3.49Å; L363-N365 PolarHBondContact O-N 2.77Å; N365-L368 WeakPolarHBondContact O-CB 3.38Å; N365-L368 PolarHBondContact O-N 2.98Å; N365-E369 PolarHBondContact O-N 3.32Å; N365-N757 PolarHBondContact ND2-O 2.8Å
366	V	79.3	Confident	76.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-42	176.4	166.4	0	0	0	0	111.3	F328 F331 I332 L335 F362 L363 L368 E369 V370	F328-V366 HydrophobicContact CE2-CG2 3.68Å; F328-V366 HydrophobicContact CZ-CG2 4.31Å; F331-V366 HydrophobicContact CD1-CG1 4.02Å; F331-V366 HydrophobicContact CE1-CG1 3.79Å; F331-V366 HydrophobicContact CE1-CG2 4.44Å; I332-V366 HydrophobicContact CD1-CG1 3.73Å; L335-V366 HydrophobicContact CD1-CG1 3.26Å; F362-V366 HydrophobicContact CD1-CG2 4.32Å; F362-V366 HydrophobicContact CE1-CG2 3.86Å; F362-V366 HydrophobicContact CE2-CG2 4.27Å; F362-V366 HydrophobicContact CZ-CG2 3.84Å; F362-V366 WeakPolarHBondContact O-CG2 3.47Å; F362-V366 PolarHBondContact O-N 3.12Å; L363-V366 WeakPolarHBondContact O-CA 3.36Å; L363-V366 WeakPolarHBondContact O-CB 3.28Å; L363-V366 PolarHBondContact O-N 3.37Å; V366-L368 VanDerWaalsContact C-N 3.26Å; V366-L368 PolarHBondContact O-N 2.99Å; V366-E369 PolarHBondContact O-N 3.49Å; V366-V370 WeakPolarHBondContact O-CG2 3.26Å; V366-V370 PolarHBondContact O-N 3.5Å
367	I	81.1	Confident	77.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-41.8	178.5	-56.8	171	0	0	0	110.7	W343 Y347 W350 L363 E364 E369 V370 F378 I379 F383	W343-I367 HydrophobicContact CH2-CB 4.43Å; W343-I367 HydrophobicContact CH2-CG1 4.12Å; W343-I367 HydrophobicContact CH2-CG2 4.22Å; W343-I367 HydrophobicContact CZ3-CB 4.4Å; W343-I367 HydrophobicContact CZ3-CD1 4.36Å; W343-I367 HydrophobicContact CZ3-CG1 3.71Å; W343-I367 HydrophobicContact CZ3-CG2 4.16Å; Y347-I367 HydrophobicContact CD2-CD1 3.81Å; Y347-I367 HydrophobicContact CE2-CD1 4.1Å; W350-I367 HydrophobicContact CZ3-CD1 4.01Å; W350-I367 HydrophobicContact CZ3-CG1 3.92Å; L363-I367 WeakPolarHBondContact O-CG1 3.05Å; L363-I367 PolarHBondContact O-N 3.35Å; L363-I367 VanDerWaalsContact O-N 3.08Å; E364-I367 PolarHBondContact O-N 2.84Å; I367-E369 PolarHBondContact O-N 3.46Å; I367-V370 PolarHBondContact O-N 2.95Å; I367-F378 HydrophobicContact CD1-CE1 4.4Å; I367-F378 HydrophobicContact CG2-CD1 4.37Å; I367-I379 HydrophobicContact CG2-CD1 3.86Å; I367-I379 HydrophobicContact CG2-CG1 3.78Å; I367-F383 HydrophobicContact CD1-CE2 4.29Å; I367-F383 HydrophobicContact CD1-CZ 4.45Å
368	L	73.7	Confident	78.5	Confident	21 Å²	21	26.4 Å²	26.4	11%	0.11	13%	0.127	C	C	.	.	H	α-helix	trans	-64.2	-29.1	176.6	-68.5	168.6	0	0	0	113.1	N365 V366 Q371 I379 W396 H399	N365-L368 WeakPolarHBondContact O-CB 3.38Å; N365-L368 PolarHBondContact O-N 2.98Å; V366-L368 VanDerWaalsContact C-N 3.26Å; V366-L368 PolarHBondContact O-N 2.99Å; L368-Q371 VanDerWaalsContact O-CG 3.25Å; L368-Q371 WeakPolarHBondContact O-CG 3.48Å; L368-I379 HydrophobicContact CD2-CD1 3.86Å; L368-W396 HydrophobicContact CD1-CZ3 4.07Å; L368-W396 HydrophobicContact CD2-CE3 3.81Å; L368-W396 HydrophobicContact CD2-CZ3 3.52Å; L368-W396 HydrophobicContact CG-CE3 4.28Å; L368-W396 HydrophobicContact CG-CH2 4.34Å; L368-W396 HydrophobicContact CG-CZ3 3.59Å; L368-H399 HydrophobicContact CD1-CB 3.51Å; L368-H399 VanDerWaalsContact CD1-CG 3.42Å; L368-H399 HydrophobicContact CD2-CB 3.59Å; L368-H399 HydrophobicContact CG-CB 4.2Å
369	E	73.3	Confident	79.4	Confident	24 Å²	24	20 Å²	20	11%	0.112	10%	0.098	C	C	.	.	H	α-helix	trans	-83.3	-24	-177.5	-174.8	59.9	171.4	0	0	113.3	I332 N365 V366 I367 Q371 K760 H761	I332-E369 HydrophobicContact CD1-CB 4.19Å; I332-E369 HydrophobicContact CD1-CG 4.15Å; N365-E369 PolarHBondContact O-N 3.32Å; V366-E369 PolarHBondContact O-N 3.49Å; I367-E369 PolarHBondContact O-N 3.46Å; E369-Q371 VanDerWaalsContact C-N 3.3Å; E369-Q371 PolarHBondContact O-N 3.32Å; E369-Q371 PolarHBondContact OE2-NE2 2.92Å; E369-K760 VanDerWaalsContact OE1-CG 3.27Å; E369-K760 WeakPolarHBondContact OE1-CG 3.31Å; E369-H761 HydrophobicContact CG-CB 4.43Å; E369-H761 WeakPolarHBondContact OE1-CA 3.22Å; E369-H761 VanDerWaalsContact OE1-CB 3.28Å; E369-H761 WeakPolarHBondContact OE1-CB 3.37Å; E369-H761 PolarHBondContact OE1-N 3.43Å; E369-H761 VanDerWaalsContact OE1-O 3.1Å
370	V	80.3	Confident	80	Confident	4 Å²	4	19.9 Å²	19.9	2%	0.024	10%	0.097	C	C	.	.	H	α-helix	trans	-58.8	-40.8	178.3	173.7	0	0	0	0	112	I332 L335 K336 W343 V366 I367 T372	I332-V370 HydrophobicContact CD1-CG2 4.16Å; L335-V370 HydrophobicContact CB-CG2 3.56Å; L335-V370 HydrophobicContact CD1-CG2 4.1Å; K336-V370 HydrophobicContact CB-CG1 4.3Å; K336-V370 HydrophobicContact CG-CG1 3.78Å; W343-V370 HydrophobicContact CH2-CG2 4.03Å; W343-V370 HydrophobicContact CZ2-CB 4.24Å; W343-V370 HydrophobicContact CZ2-CG1 4.05Å; W343-V370 HydrophobicContact CZ2-CG2 4Å; V366-V370 WeakPolarHBondContact O-CG2 3.26Å; V366-V370 PolarHBondContact O-N 3.5Å; I367-V370 PolarHBondContact O-N 2.95Å; V370-T372 HydrophobicContact CG1-CG2 3.77Å; V370-T372 WeakPolarHBondContact CG1-OG1 3.39Å; V370-T372 PolarHBondContact O-N 3.01Å; V370-T372 VanDerWaalsContact O-N 3.12Å
371	Q	75.8	Confident	80.5	Confident	48 Å²	48	17.3 Å²	17.3	22%	0.224	9%	0.089	C	C	.	.			trans	53.2	31.6	173	-63.4	169.2	29.6	0	0	113.9	L368 E369 K727	L368-Q371 VanDerWaalsContact O-CG 3.25Å; L368-Q371 WeakPolarHBondContact O-CG 3.48Å; E369-Q371 VanDerWaalsContact C-N 3.3Å; E369-Q371 PolarHBondContact O-N 3.32Å; E369-Q371 PolarHBondContact OE2-NE2 2.92Å; Q371-K727 VanDerWaalsContact OE1-NZ 3.09Å
372	T	83.1	Confident	81.2	Confident	28 Å²	28	18.8 Å²	18.8	17%	0.172	10%	0.095	C	C	.	.			trans	-93.9	159.3	172.8	58.6	0	0	0	0	111.4	K336 V370 S374 S375 I376	K336-T372 HydrophobicContact CB-CG2 3.73Å; K336-T372 HydrophobicContact CG-CG2 3.7Å; V370-T372 HydrophobicContact CG1-CG2 3.77Å; V370-T372 WeakPolarHBondContact CG1-OG1 3.39Å; V370-T372 PolarHBondContact O-N 3.01Å; V370-T372 VanDerWaalsContact O-N 3.12Å; T372-S374 VanDerWaalsContact C-N 3.29Å; T372-S374 PolarHBondContact O-N 3.4Å; T372-S374 PolarHBondContact OG1-OG 3.12Å; T372-S375 PolarHBondContact N-OG 3.07Å; T372-S375 VanDerWaalsContact N-OG 3.07Å; T372-S375 PolarHBondContact O-N 2.85Å; T372-S375 VanDerWaalsContact O-N 3.15Å; T372-S375 PolarHBondContact O-OG 3.5Å; T372-S375 WeakPolarHBondContact OG1-CB 2.93Å; T372-S375 PolarHBondContact OG1-N 3.39Å; T372-S375 PolarHBondContact OG1-OG 3.43Å; T372-I376 VanDerWaalsContact O-CG1 3.32Å; T372-I376 WeakPolarHBondContact O-CG1 3.46Å; T372-I376 PolarHBondContact O-N 3.31Å
373	E	82.2	Confident	81.6	Confident	72 Å²	72	18.8 Å²	18.8	34%	0.336	10%	0.095	S	C	.	.	H	α-helix	trans	-52.9	-49.1	178.6	-172.9	169.6	129.5	0	0	111.7	S375 I376 I377 T407 E409 M410	E373-S375 PolarHBondContact O-N 3.35Å; E373-I376 PolarHBondContact O-N 3Å; E373-I377 HydrophobicContact CG-CD1 3.85Å; E373-I377 WeakPolarHBondContact O-CG1 3.31Å; E373-I377 PolarHBondContact O-N 3.36Å; E373-T407 PolarHBondContact OE2-OG1 3.07Å; E373-E409 VanDerWaalsContact CD-CB 3.45Å; E373-E409 HydrophobicContact CG-CB 4.3Å; E373-E409 WeakPolarHBondContact OE1-CB 3.45Å; E373-E409 WeakPolarHBondContact OE1-CG 2.99Å; E373-M410 HydrophobicContact CB-CE 3.86Å; E373-M410 HydrophobicContact CB-CG 4.37Å; E373-M410 HydrophobicContact CG-CG 4.05Å
374	S	84.3	Confident	81.8	Confident	22 Å²	22	18.7 Å²	18.7	15%	0.154	9%	0.094	C	C	.	.	H	α-helix	trans	-60.6	-42.5	177.3	53.6	0	0	0	0	113.7	L338 T372 I376 F378	L338-S374 WeakPolarHBondContact O-CB 3.42Å; L338-S374 PolarHBondContact O-OG 3.15Å; T372-S374 VanDerWaalsContact C-N 3.29Å; T372-S374 PolarHBondContact O-N 3.4Å; T372-S374 PolarHBondContact OG1-OG 3.12Å; S374-I376 VanDerWaalsContact C-N 3.34Å; S374-F378 VanDerWaalsContact O-CB 3.31Å; S374-F378 WeakPolarHBondContact O-CB 3.18Å; S374-F378 PolarHBondContact O-N 3.08Å
375	S	85.9	Confident	81.9	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.1	-36.3	-179.1	74.4	0	0	0	0	111.5	T372 E373 F378 I379	T372-S375 PolarHBondContact N-OG 3.07Å; T372-S375 VanDerWaalsContact N-OG 3.07Å; T372-S375 PolarHBondContact O-N 2.85Å; T372-S375 VanDerWaalsContact O-N 3.15Å; T372-S375 PolarHBondContact O-OG 3.5Å; T372-S375 WeakPolarHBondContact OG1-CB 2.93Å; T372-S375 PolarHBondContact OG1-N 3.39Å; T372-S375 PolarHBondContact OG1-OG 3.43Å; E373-S375 PolarHBondContact O-N 3.35Å; S375-F378 WeakPolarHBondContact O-CB 3.42Å; S375-F378 PolarHBondContact O-N 2.97Å; S375-I379 WeakPolarHBondContact O-CD1 3.34Å; S375-I379 VanDerWaalsContact O-CG1 3.26Å; S375-I379 WeakPolarHBondContact O-CG1 2.93Å; S375-I379 PolarHBondContact O-N 2.83Å
376	I	83	Confident	82.3	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-72	-45.3	178.6	-64.9	-38.9	0	0	0	111.8	T372 E373 S374 F378 I379 I380 M403 M410	T372-I376 VanDerWaalsContact O-CG1 3.32Å; T372-I376 WeakPolarHBondContact O-CG1 3.46Å; T372-I376 PolarHBondContact O-N 3.31Å; E373-I376 PolarHBondContact O-N 3Å; S374-I376 VanDerWaalsContact C-N 3.34Å; I376-F378 PolarHBondContact O-N 3.18Å; I376-I379 HydrophobicContact CD1-CD1 3.88Å; I376-I379 PolarHBondContact O-N 3.36Å; I376-I379 VanDerWaalsContact O-N 3.09Å; I376-I380 HydrophobicContact CG2-CD1 3.87Å; I376-I380 HydrophobicContact CG2-CG1 4.41Å; I376-I380 WeakPolarHBondContact O-CG1 3.07Å; I376-I380 PolarHBondContact O-N 2.92Å; I376-M403 HydrophobicContact CB-CE 4.11Å; I376-M403 HydrophobicContact CB-SD 4.36Å; I376-M403 HydrophobicContact CD1-CE 3.2Å; I376-M403 HydrophobicContact CD1-SD 3.56Å; I376-M403 VanDerWaalsContact CD1-SD 3.56Å; I376-M403 HydrophobicContact CG1-CE 3.57Å; I376-M403 HydrophobicContact CG1-SD 3.48Å; I376-M403 WeakPolarHBondContact CG1-SD 3.22Å; I376-M403 HydrophobicContact CG2-CE 3.53Å; I376-M403 HydrophobicContact CG2-SD 3.99Å; I376-M410 HydrophobicContact CG1-CE 4.47Å
377	I	85.8	Confident	82.2	Confident	26 Å²	26	26.2 Å²	26.2	13%	0.133	14%	0.14	C	C	.	.	H	α-helix	trans	-59.2	-39.6	174.2	-63.8	176.7	0	0	0	109.7	Y340 E373 N381 E413	Y340-I377 HydrophobicContact CD2-CB 4.31Å; Y340-I377 HydrophobicContact CD2-CG2 3.77Å; Y340-I377 HydrophobicContact CE2-CG2 3.92Å; Y340-I377 HydrophobicContact CG-CG2 4.46Å; E373-I377 HydrophobicContact CG-CD1 3.85Å; E373-I377 WeakPolarHBondContact O-CG1 3.31Å; E373-I377 PolarHBondContact O-N 3.36Å; I377-N381 VanDerWaalsContact O-CB 3.31Å; I377-N381 WeakPolarHBondContact O-CB 3.49Å; I377-N381 PolarHBondContact O-N 3.43Å; I377-N381 PolarHBondContact O-ND2 3.42Å; I377-E413 HydrophobicContact CD1-CG 4.19Å; I377-E413 HydrophobicContact CG1-CB 4.36Å; I377-E413 HydrophobicContact CG1-CG 3.93Å; I377-E413 HydrophobicContact CG2-CG 4.33Å
378	F	87.9	Confident	82	Confident	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-49	171.7	178.9	-101	0	0	0	112.4	Y340 W343 K344 Y347 I367 S374 S375 I376 I380 N381 H382 F383	Y340-F378 HydrophobicContact CD2-CB 4.08Å; Y340-F378 HydrophobicContact CE2-CB 4.32Å; Y340-F378 HydrophobicContact CE2-CD2 4.46Å; W343-F378 HydrophobicContact CB-CB 3.96Å; W343-F378 HydrophobicContact CB-CD1 4.22Å; W343-F378 HydrophobicContact CB-CD2 3.68Å; W343-F378 HydrophobicContact CB-CE2 4.25Å; W343-F378 HydrophobicContact CB-CG 3.67Å; W343-F378 HydrophobicContact CG-CB 4.19Å; W343-F378 HydrophobicContact CG-CG 4.2Å; K344-F378 HydrophobicContact CB-CE2 4.42Å; K344-F378 HydrophobicContact CG-CD2 4.15Å; K344-F378 HydrophobicContact CG-CE2 3.94Å; Y347-F378 HydrophobicContact CD1-CZ 4.04Å; Y347-F378 HydrophobicContact CD2-CE1 4.49Å; Y347-F378 HydrophobicContact CG-CE1 4.19Å; Y347-F378 AromaticContact CG-CZ 3.78Å; Y347-F378 HydrophobicContact CG-CZ 3.78Å; I367-F378 HydrophobicContact CD1-CE1 4.4Å; I367-F378 HydrophobicContact CG2-CD1 4.37Å; S374-F378 VanDerWaalsContact O-CB 3.31Å; S374-F378 WeakPolarHBondContact O-CB 3.18Å; S374-F378 PolarHBondContact O-N 3.08Å; S375-F378 WeakPolarHBondContact O-CB 3.42Å; S375-F378 PolarHBondContact O-N 2.97Å; I376-F378 PolarHBondContact O-N 3.18Å; F378-I380 PolarHBondContact O-N 3.35Å; F378-N381 PolarHBondContact O-N 3Å; F378-H382 HydrophobicContact CD2-CB 4.18Å; F378-H382 HydrophobicContact CE1-CB 4.32Å; F378-H382 HydrophobicContact CE2-CB 3.84Å; F378-H382 AromaticContact CE2-CG 3.86Å; F378-H382 HydrophobicContact CZ-CB 3.92Å; F378-H382 AromaticContact CZ-CD2 3.9Å; F378-H382 AromaticContact CZ-CG 3.71Å; F378-H382 WeakPolarHBondContact O-CA 3.45Å; F378-H382 WeakPolarHBondContact O-CB 3.31Å; F378-H382 PolarHBondContact O-N 2.93Å; F378-F383 HydrophobicContact CD1-CE2 4.47Å; F378-F383 AromaticContact CE1-CE2 3.89Å; F378-F383 HydrophobicContact CE1-CE2 3.89Å; F378-F383 HydrophobicContact CE1-CZ 4.37Å
379	I	86	Confident	82.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-49.2	179	-69.9	156.9	0	0	0	111.8	I367 L368 S375 I376 F383 I384 W396 L400	I367-I379 HydrophobicContact CG2-CD1 3.86Å; I367-I379 HydrophobicContact CG2-CG1 3.78Å; L368-I379 HydrophobicContact CD2-CD1 3.86Å; S375-I379 WeakPolarHBondContact O-CD1 3.34Å; S375-I379 VanDerWaalsContact O-CG1 3.26Å; S375-I379 WeakPolarHBondContact O-CG1 2.93Å; S375-I379 PolarHBondContact O-N 2.83Å; I376-I379 HydrophobicContact CD1-CD1 3.88Å; I376-I379 PolarHBondContact O-N 3.36Å; I376-I379 VanDerWaalsContact O-N 3.09Å; I379-F383 HydrophobicContact CB-CD2 4.38Å; I379-F383 HydrophobicContact CG1-CD2 4.27Å; I379-F383 HydrophobicContact CG2-CD2 4.3Å; I379-F383 WeakPolarHBondContact O-CB 3.1Å; I379-F383 PolarHBondContact O-N 3.25Å; I379-I384 PolarHBondContact O-N 3.33Å; I379-W396 HydrophobicContact CD1-CZ3 4.3Å; I379-W396 HydrophobicContact CG1-CE3 4.33Å; I379-W396 HydrophobicContact CG1-CZ3 3.93Å; I379-W396 HydrophobicContact CG2-CE3 3.64Å; I379-W396 HydrophobicContact CG2-CZ3 4.11Å; I379-L400 HydrophobicContact CG2-CD2 3.93Å
380	I	84.2	Confident	82	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-60.2	-51	-178.6	-69.8	172.7	0	0	0	109.7	I376 F378 I384 V385 L400 E413 I414 L417	I376-I380 HydrophobicContact CG2-CD1 3.87Å; I376-I380 HydrophobicContact CG2-CG1 4.41Å; I376-I380 WeakPolarHBondContact O-CG1 3.07Å; I376-I380 PolarHBondContact O-N 2.92Å; F378-I380 PolarHBondContact O-N 3.35Å; I380-I384 WeakPolarHBondContact O-CB 3.1Å; I380-I384 PolarHBondContact O-N 3.32Å; I380-V385 HydrophobicContact CG2-CG2 4.1Å; I380-V385 WeakPolarHBondContact O-CG2 3.43Å; I380-V385 PolarHBondContact O-N 3.13Å; I380-L400 HydrophobicContact CG1-CD1 4.42Å; I380-L400 HydrophobicContact CG1-CD2 4.33Å; I380-E413 HydrophobicContact CD1-CB 4.44Å; I380-I414 HydrophobicContact CD1-CG1 3.8Å; I380-L417 HydrophobicContact CD1-CD1 4.5Å; I380-L417 HydrophobicContact CG2-CD2 4.1Å; I380-L417 HydrophobicContact CG2-CG 4.44Å
381	N	86.6	Confident	81.5	Confident	28 Å²	28	50.8 Å²	50.8	15%	0.15	25%	0.248	C	C	.	.	I	π-helix	trans	-72.5	-43.5	-175.9	-72.5	-26.1	0	0	0	112.4	Y340 I377 F378 N386	Y340-N381 HydrophobicContact CE2-CB 4.29Å; I377-N381 VanDerWaalsContact O-CB 3.31Å; I377-N381 WeakPolarHBondContact O-CB 3.49Å; I377-N381 PolarHBondContact O-N 3.43Å; I377-N381 PolarHBondContact O-ND2 3.42Å; F378-N381 PolarHBondContact O-N 3Å; N381-N386 WeakPolarHBondContact O-CB 3.26Å; N381-N386 PolarHBondContact O-N 3.01Å; N381-N386 PolarHBondContact O-ND2 2.99Å
382	H	86.5	Confident	81.4	Confident	64 Å²	64	53.6 Å²	53.6	30%	0.296	26%	0.259	S	S	.	.	I	π-helix	trans	-80.8	-47.4	-173.8	-168.5	83.4	0	0	0	113.2	Y347 F378	Y347-H382 AromaticContact CD1-NE2 3.49Å; Y347-H382 WeakPolarHBondContact CD1-NE2 3.45Å; Y347-H382 AromaticContact CE1-CD2 3.96Å; Y347-H382 AromaticContact CE1-NE2 3.32Å; Y347-H382 VanDerWaalsContact CE1-NE2 3.32Å; Y347-H382 WeakPolarHBondContact CE1-NE2 3.35Å; F378-H382 HydrophobicContact CD2-CB 4.18Å; F378-H382 HydrophobicContact CE1-CB 4.32Å; F378-H382 HydrophobicContact CE2-CB 3.84Å; F378-H382 AromaticContact CE2-CG 3.86Å; F378-H382 HydrophobicContact CZ-CB 3.92Å; F378-H382 AromaticContact CZ-CD2 3.9Å; F378-H382 AromaticContact CZ-CG 3.71Å; F378-H382 WeakPolarHBondContact O-CA 3.45Å; F378-H382 WeakPolarHBondContact O-CB 3.31Å; F378-H382 PolarHBondContact O-N 2.93Å
383	F	84.7	Confident	81.1	Confident	15 Å²	15	52.7 Å²	52.7	7%	0.066	25%	0.253	C	S	.	.	I	π-helix	trans	-95.8	-18.6	-172	-66.5	-61.3	0	0	0	115	Y347 I367 F378 I379 A387 W396	Y347-F383 HydrophobicContact CD2-CZ 4.25Å; Y347-F383 HydrophobicContact CE1-CE1 4.04Å; Y347-F383 AromaticContact CE1-CZ 3.97Å; Y347-F383 HydrophobicContact CE1-CZ 3.97Å; Y347-F383 HydrophobicContact CE2-CE1 4.26Å; Y347-F383 AromaticContact CE2-CZ 3.61Å; Y347-F383 HydrophobicContact CE2-CZ 3.61Å; Y347-F383 AromaticContact CZ-CE1 3.64Å; Y347-F383 AromaticContact CZ-CZ 3.45Å; Y347-F383 VanDerWaalsContact CZ-CZ 3.45Å; Y347-F383 WeakPolarHBondContact OH-CE1 3.32Å; I367-F383 HydrophobicContact CD1-CE2 4.29Å; I367-F383 HydrophobicContact CD1-CZ 4.45Å; F378-F383 HydrophobicContact CD1-CE2 4.47Å; F378-F383 AromaticContact CE1-CE2 3.89Å; F378-F383 HydrophobicContact CE1-CE2 3.89Å; F378-F383 HydrophobicContact CE1-CZ 4.37Å; I379-F383 HydrophobicContact CB-CD2 4.38Å; I379-F383 HydrophobicContact CG1-CD2 4.27Å; I379-F383 HydrophobicContact CG2-CD2 4.3Å; I379-F383 WeakPolarHBondContact O-CB 3.1Å; I379-F383 PolarHBondContact O-N 3.25Å; F383-A387 WeakPolarHBondContact O-CB 3.49Å; F383-W396 HydrophobicContact CB-CB 3.85Å; F383-W396 HydrophobicContact CB-CD2 3.66Å; F383-W396 HydrophobicContact CB-CE3 4.34Å; F383-W396 HydrophobicContact CB-CG 3.4Å; F383-W396 AromaticContact CD1-CD1 3.84Å; F383-W396 HydrophobicContact CD1-CD2 4.19Å; F383-W396 AromaticContact CD1-CE2 3.53Å; F383-W396 HydrophobicContact CD1-CG 4.36Å; F383-W396 AromaticContact CD1-CZ2 3.9Å; F383-W396 HydrophobicContact CD1-CZ2 3.9Å; F383-W396 AromaticContact CD1-NE1 3.29Å; F383-W396 VanDerWaalsContact CD1-NE1 3.29Å; F383-W396 AromaticContact CD2-CD2 3.62Å; F383-W396 HydrophobicContact CD2-CD2 3.62Å; F383-W396 AromaticContact CD2-CE2 3.49Å; F383-W396 VanDerWaalsContact CD2-CE2 3.49Å; F383-W396 AromaticContact CD2-CE3 3.74Å; F383-W396 HydrophobicContact CD2-CE3 3.74Å; F383-W396 HydrophobicContact CD2-CG 4.3Å; F383-W396 AromaticContact CD2-CH2 3.67Å; F383-W396 HydrophobicContact CD2-CH2 3.67Å; F383-W396 AromaticContact CD2-CZ2 3.55Å; F383-W396 HydrophobicContact CD2-CZ2 3.55Å; F383-W396 AromaticContact CD2-CZ3 3.75Å; F383-W396 HydrophobicContact CD2-CZ3 3.75Å; F383-W396 AromaticContact CE1-CE2 3.82Å; F383-W396 AromaticContact CE1-CZ2 3.7Å; F383-W396 HydrophobicContact CE1-CZ2 3.7Å; F383-W396 AromaticContact CE1-NE1 3.8Å; F383-W396 HydrophobicContact CE2-CD2 4.31Å; F383-W396 AromaticContact CE2-CE2 3.81Å; F383-W396 HydrophobicContact CE2-CE3 4.33Å; F383-W396 AromaticContact CE2-CH2 3.39Å; F383-W396 HydrophobicContact CE2-CH2 3.39Å; F383-W396 AromaticContact CE2-CZ2 3.34Å; F383-W396 HydrophobicContact CE2-CZ2 3.34Å; F383-W396 AromaticContact CE2-CZ3 3.89Å; F383-W396 HydrophobicContact CE2-CZ3 3.89Å; F383-W396 AromaticContact CG-CD1 3.73Å; F383-W396 AromaticContact CG-CD2 3.57Å; F383-W396 HydrophobicContact CG-CD2 3.57Å; F383-W396 AromaticContact CG-CE2 3.37Å; F383-W396 HydrophobicContact CG-CE3 4.17Å; F383-W396 AromaticContact CG-CG 3.81Å; F383-W396 HydrophobicContact CG-CG 3.81Å; F383-W396 HydrophobicContact CG-CH2 4.4Å; F383-W396 AromaticContact CG-CZ2 3.84Å; F383-W396 HydrophobicContact CG-CZ2 3.84Å; F383-W396 AromaticContact CG-NE1 3.47Å; F383-W396 AromaticContact CZ-CE2 3.96Å; F383-W396 AromaticContact CZ-CH2 3.88Å; F383-W396 HydrophobicContact CZ-CH2 3.88Å; F383-W396 AromaticContact CZ-CZ2 3.42Å; F383-W396 HydrophobicContact CZ-CZ2 3.42Å; F383-W396 VanDerWaalsContact CZ-CZ2 3.42Å
384	I	82.2	Confident	80.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-112.5	-63.1	-176.6	-59.6	170.3	0	0	0	110.3	I379 I380 Q393 W396 I397 L400 L417 L422	I379-I384 PolarHBondContact O-N 3.33Å; I380-I384 WeakPolarHBondContact O-CB 3.1Å; I380-I384 PolarHBondContact O-N 3.32Å; I384-Q393 WeakPolarHBondContact O-CG 3.46Å; I384-Q393 PolarHBondContact O-NE2 2.84Å; I384-W396 HydrophobicContact CD1-CB 4.41Å; I384-W396 HydrophobicContact CG1-CB 3.99Å; I384-I397 HydrophobicContact CD1-CG1 3.9Å; I384-I397 HydrophobicContact CG1-CG1 4.04Å; I384-I397 HydrophobicContact CG2-CD1 4.14Å; I384-I397 HydrophobicContact CG2-CG1 3.93Å; I384-L400 HydrophobicContact CD1-CD1 3.31Å; I384-L400 HydrophobicContact CD1-CD2 4.39Å; I384-L400 HydrophobicContact CD1-CG 3.91Å; I384-L417 HydrophobicContact CG2-CD2 3.86Å; I384-L422 HydrophobicContact CG2-CD1 3.71Å
385	V	81.1	Confident	79.8	Confident	65 Å²	65	53.8 Å²	53.8	39%	0.394	26%	0.256	S	S	.	.	I	π-helix	trans	-69.8	-47.9	-174.9	178	0	0	0	0	111.8	I380 L417	I380-V385 HydrophobicContact CG2-CG2 4.1Å; I380-V385 WeakPolarHBondContact O-CG2 3.43Å; I380-V385 PolarHBondContact O-N 3.13Å; V385-L417 HydrophobicContact CG2-CD2 4.44Å
386	N	80.3	Confident	79.2	Confident	110 Å²	110	54.1 Å²	54.1	59%	0.588	26%	0.257	S	S	*	.	S	Bend	trans	-89.8	-4.3	-176.4	-64.3	-26.1	0	0	0	114.6	N381	N381-N386 WeakPolarHBondContact O-CB 3.26Å; N381-N386 PolarHBondContact O-N 3.01Å; N381-N386 PolarHBondContact O-ND2 2.99Å
387	A	78.5	Confident	78.6	Confident	20 Å²	20	54 Å²	54	17%	0.165	26%	0.257	C	S	.	.			trans	-73.5	131.8	-179.9	0	0	0	0	0	111.2	F383 Q393	F383-A387 WeakPolarHBondContact O-CB 3.49Å; A387-Q393 HydrophobicContact CB-CG 3.72Å; A387-Q393 PolarHBondContact O-NE2 3.2Å
388	K	75.9	Confident	77.6	Confident	220 Å²	220	57.3 Å²	57.3	96%	0.957	28%	0.275	S	S	*	.	S	Bend	trans	-80.2	-15.5	-178.8	-65.5	-178.4	179.9	178.6	0	114.5
389	N	77.1	Confident	76.6	Confident	81 Å²	81	59.8 Å²	59.8	43%	0.433	29%	0.286	S	S	.	.			trans	-112.3	116.7	-173.7	-175.4	-9.6	0	0	0	110	Y391 K392 Q393	N389-Y391 PolarHBondContact O-N 2.65Å; N389-Y391 WeakPolarHBondContact OD1-CB 3.46Å; N389-Y391 PolarHBondContact OD1-N 2.9Å; N389-K392 HydrophobicContact CB-CB 4.35Å; N389-K392 HydrophobicContact CB-CG 4.29Å; N389-K392 PolarHBondContact O-N 2.86Å; N389-Q393 PolarHBondContact O-N 3.48Å
390	E	71	Confident	75.7	Confident	112 Å²	112	60.2 Å²	60.2	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-52.4	-37.8	176.7	-167.5	178.8	-179.1	0	0	112.1	K392 Q393 L394	E390-K392 PolarHBondContact O-N 2.9Å; E390-Q393 WeakPolarHBondContact O-CB 3.41Å; E390-Q393 PolarHBondContact O-N 2.98Å; E390-L394 HydrophobicContact CG-CD1 4.17Å; E390-L394 HydrophobicContact CG-CG 4.39Å; E390-L394 WeakPolarHBondContact O-CB 3.32Å; E390-L394 VanDerWaalsContact O-CG 3.22Å; E390-L394 WeakPolarHBondContact O-CG 3.42Å; E390-L394 PolarHBondContact O-N 2.76Å
391	Y	69.3	Low	74.5	Confident	152 Å²	152	61.1 Å²	61.1	60%	0.596	29%	0.294	S	S	*	.	H	α-helix	trans	-60.6	-43.1	175.5	176	-95.2	0	0	0	112.9	N389 L394 K395	N389-Y391 PolarHBondContact O-N 2.65Å; N389-Y391 WeakPolarHBondContact OD1-CB 3.46Å; N389-Y391 PolarHBondContact OD1-N 2.9Å; Y391-L394 PolarHBondContact O-N 3.14Å; Y391-K395 PolarHBondContact O-N 2.03Å
392	K	72.6	Confident	73.2	Confident	108 Å²	108	61.9 Å²	61.9	47%	0.47	30%	0.298	S	S	.	.	H	α-helix	trans	-68	-40.9	176.9	-72.6	-171.1	176.1	-172.9	0	110.5	N389 E390 L394 K395 W396	N389-K392 HydrophobicContact CB-CB 4.35Å; N389-K392 HydrophobicContact CB-CG 4.29Å; N389-K392 PolarHBondContact O-N 2.86Å; E390-K392 PolarHBondContact O-N 2.9Å; K392-L394 PolarHBondContact O-N 2.84Å; K392-K395 PolarHBondContact O-N 3.35Å; K392-W396 VanDerWaalsContact O-CD1 3.27Å; K392-W396 PolarHBondContact O-N 2.82Å
393	Q	77	Confident	72.3	Confident	9 Å²	9	59.4 Å²	59.4	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-49.4	174.9	-66	174.2	-40.7	0	0	110.6	I384 A387 N389 E390 K395 W396 I397	I384-Q393 WeakPolarHBondContact O-CG 3.46Å; I384-Q393 PolarHBondContact O-NE2 2.84Å; A387-Q393 HydrophobicContact CB-CG 3.72Å; A387-Q393 PolarHBondContact O-NE2 3.2Å; N389-Q393 PolarHBondContact O-N 3.48Å; E390-Q393 WeakPolarHBondContact O-CB 3.41Å; E390-Q393 PolarHBondContact O-N 2.98Å; Q393-K395 PolarHBondContact O-N 3.42Å; Q393-W396 PolarHBondContact O-N 3.45Å; Q393-I397 HydrophobicContact CB-CD1 4.35Å; Q393-I397 WeakPolarHBondContact O-CB 3.44Å; Q393-I397 WeakPolarHBondContact O-CD1 3.47Å; Q393-I397 WeakPolarHBondContact O-CG1 3.41Å; Q393-I397 PolarHBondContact O-N 2.74Å
394	L	68.3	Low	71.3	Confident	46 Å²	46	63.4 Å²	63.4	24%	0.241	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-40.2	179.6	-67.5	173.8	0	0	0	113.2	E390 Y391 K392 W396 I397 N398 H425	E390-L394 HydrophobicContact CG-CD1 4.17Å; E390-L394 HydrophobicContact CG-CG 4.39Å; E390-L394 WeakPolarHBondContact O-CB 3.32Å; E390-L394 VanDerWaalsContact O-CG 3.22Å; E390-L394 WeakPolarHBondContact O-CG 3.42Å; E390-L394 PolarHBondContact O-N 2.76Å; Y391-L394 PolarHBondContact O-N 3.14Å; K392-L394 PolarHBondContact O-N 2.84Å; L394-W396 VanDerWaalsContact C-N 3.31Å; L394-W396 PolarHBondContact O-N 3.23Å; L394-I397 HydrophobicContact CD2-CD1 4.42Å; L394-I397 PolarHBondContact O-N 3.23Å; L394-N398 VanDerWaalsContact O-CG 3.31Å; L394-N398 PolarHBondContact O-N 2.7Å; L394-N398 PolarHBondContact O-ND2 3.21Å; L394-H425 HydrophobicContact CD2-CB 3.82Å; L394-H425 WeakPolarHBondContact CD2-ND1 3.38Å
395	K	71	Confident	70.8	Confident	71 Å²	71	70.9 Å²	70.9	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-53.5	-50.7	173.1	-175.8	-169.9	176.9	-167.4	0	110.3	E364 Y391 K392 Q393 N398 H399	E364-K395 IonicContact OE2-NZ 2.78Å; E364-K395 PolarHBondContact OE2-NZ 2.65Å; Y391-K395 PolarHBondContact O-N 2.03Å; K392-K395 PolarHBondContact O-N 3.35Å; Q393-K395 PolarHBondContact O-N 3.42Å; K395-N398 PolarHBondContact O-N 2.93Å; K395-H399 PolarHBondContact O-CD2 2.85Å
396	W	74.5	Confident	70.9	Confident	6 Å²	6	68 Å²	68	2%	0.023	32%	0.319	C	S	.	.	H	α-helix	trans	-76.1	-35.5	-176.8	-77.8	98	0	0	0	114	E364 L368 I379 F383 I384 K392 Q393 L394 N398 H399 L400	E364-W396 HydrophobicContact CB-CH2 3.99Å; E364-W396 HydrophobicContact CB-CZ2 3.82Å; E364-W396 HydrophobicContact CG-CH2 4.4Å; E364-W396 HydrophobicContact CG-CZ2 3.86Å; E364-W396 WeakPolarHBondContact O-CH2 3.34Å; L368-W396 HydrophobicContact CD1-CZ3 4.07Å; L368-W396 HydrophobicContact CD2-CE3 3.81Å; L368-W396 HydrophobicContact CD2-CZ3 3.52Å; L368-W396 HydrophobicContact CG-CE3 4.28Å; L368-W396 HydrophobicContact CG-CH2 4.34Å; L368-W396 HydrophobicContact CG-CZ3 3.59Å; I379-W396 HydrophobicContact CD1-CZ3 4.3Å; I379-W396 HydrophobicContact CG1-CE3 4.33Å; I379-W396 HydrophobicContact CG1-CZ3 3.93Å; I379-W396 HydrophobicContact CG2-CE3 3.64Å; I379-W396 HydrophobicContact CG2-CZ3 4.11Å; F383-W396 HydrophobicContact CB-CB 3.85Å; F383-W396 HydrophobicContact CB-CD2 3.66Å; F383-W396 HydrophobicContact CB-CE3 4.34Å; F383-W396 HydrophobicContact CB-CG 3.4Å; F383-W396 AromaticContact CD1-CD1 3.84Å; F383-W396 HydrophobicContact CD1-CD2 4.19Å; F383-W396 AromaticContact CD1-CE2 3.53Å; F383-W396 HydrophobicContact CD1-CG 4.36Å; F383-W396 AromaticContact CD1-CZ2 3.9Å; F383-W396 HydrophobicContact CD1-CZ2 3.9Å; F383-W396 AromaticContact CD1-NE1 3.29Å; F383-W396 VanDerWaalsContact CD1-NE1 3.29Å; F383-W396 AromaticContact CD2-CD2 3.62Å; F383-W396 HydrophobicContact CD2-CD2 3.62Å; F383-W396 AromaticContact CD2-CE2 3.49Å; F383-W396 VanDerWaalsContact CD2-CE2 3.49Å; F383-W396 AromaticContact CD2-CE3 3.74Å; F383-W396 HydrophobicContact CD2-CE3 3.74Å; F383-W396 HydrophobicContact CD2-CG 4.3Å; F383-W396 AromaticContact CD2-CH2 3.67Å; F383-W396 HydrophobicContact CD2-CH2 3.67Å; F383-W396 AromaticContact CD2-CZ2 3.55Å; F383-W396 HydrophobicContact CD2-CZ2 3.55Å; F383-W396 AromaticContact CD2-CZ3 3.75Å; F383-W396 HydrophobicContact CD2-CZ3 3.75Å; F383-W396 AromaticContact CE1-CE2 3.82Å; F383-W396 AromaticContact CE1-CZ2 3.7Å; F383-W396 HydrophobicContact CE1-CZ2 3.7Å; F383-W396 AromaticContact CE1-NE1 3.8Å; F383-W396 HydrophobicContact CE2-CD2 4.31Å; F383-W396 AromaticContact CE2-CE2 3.81Å; F383-W396 HydrophobicContact CE2-CE3 4.33Å; F383-W396 AromaticContact CE2-CH2 3.39Å; F383-W396 HydrophobicContact CE2-CH2 3.39Å; F383-W396 AromaticContact CE2-CZ2 3.34Å; F383-W396 HydrophobicContact CE2-CZ2 3.34Å; F383-W396 AromaticContact CE2-CZ3 3.89Å; F383-W396 HydrophobicContact CE2-CZ3 3.89Å; F383-W396 AromaticContact CG-CD1 3.73Å; F383-W396 AromaticContact CG-CD2 3.57Å; F383-W396 HydrophobicContact CG-CD2 3.57Å; F383-W396 AromaticContact CG-CE2 3.37Å; F383-W396 HydrophobicContact CG-CE3 4.17Å; F383-W396 AromaticContact CG-CG 3.81Å; F383-W396 HydrophobicContact CG-CG 3.81Å; F383-W396 HydrophobicContact CG-CH2 4.4Å; F383-W396 AromaticContact CG-CZ2 3.84Å; F383-W396 HydrophobicContact CG-CZ2 3.84Å; F383-W396 AromaticContact CG-NE1 3.47Å; F383-W396 AromaticContact CZ-CE2 3.96Å; F383-W396 AromaticContact CZ-CH2 3.88Å; F383-W396 HydrophobicContact CZ-CH2 3.88Å; F383-W396 AromaticContact CZ-CZ2 3.42Å; F383-W396 HydrophobicContact CZ-CZ2 3.42Å; F383-W396 VanDerWaalsContact CZ-CZ2 3.42Å; I384-W396 HydrophobicContact CD1-CB 4.41Å; I384-W396 HydrophobicContact CG1-CB 3.99Å; K392-W396 VanDerWaalsContact O-CD1 3.27Å; K392-W396 PolarHBondContact O-N 2.82Å; Q393-W396 PolarHBondContact O-N 3.45Å; L394-W396 VanDerWaalsContact C-N 3.31Å; L394-W396 PolarHBondContact O-N 3.23Å; W396-N398 VanDerWaalsContact C-N 3.28Å; W396-N398 PolarHBondContact O-N 2.78Å; W396-H399 PolarHBondContact O-N 2.9Å; W396-H399 VanDerWaalsContact O-N 3.09Å; W396-L400 PolarHBondContact O-N 3.11Å
397	I	70.7	Confident	71.1	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-55	-46.7	171.4	-74.9	166.9	0	0	0	109.8	I384 Q393 L394 H399 L400 L422 H425 T426 Y429	I384-I397 HydrophobicContact CD1-CG1 3.9Å; I384-I397 HydrophobicContact CG1-CG1 4.04Å; I384-I397 HydrophobicContact CG2-CD1 4.14Å; I384-I397 HydrophobicContact CG2-CG1 3.93Å; Q393-I397 HydrophobicContact CB-CD1 4.35Å; Q393-I397 WeakPolarHBondContact O-CB 3.44Å; Q393-I397 WeakPolarHBondContact O-CD1 3.47Å; Q393-I397 WeakPolarHBondContact O-CG1 3.41Å; Q393-I397 PolarHBondContact O-N 2.74Å; L394-I397 HydrophobicContact CD2-CD1 4.42Å; L394-I397 PolarHBondContact O-N 3.23Å; I397-H399 PolarHBondContact O-N 3.49Å; I397-L400 PolarHBondContact O-N 2.82Å; I397-L400 VanDerWaalsContact O-N 3.11Å; I397-L422 HydrophobicContact CD1-CB 4.48Å; I397-L422 HydrophobicContact CD1-CD1 4.26Å; I397-H425 HydrophobicContact CD1-CB 4.07Å; I397-H425 HydrophobicContact CG2-CB 4.42Å; I397-H425 WeakPolarHBondContact CG2-O 3.26Å; I397-T426 HydrophobicContact CD1-CG2 3.99Å; I397-T426 HydrophobicContact CG1-CG2 4.23Å; I397-Y429 HydrophobicContact CB-CE2 4.42Å; I397-Y429 HydrophobicContact CG2-CD2 3.47Å; I397-Y429 VanDerWaalsContact CG2-CD2 3.47Å; I397-Y429 HydrophobicContact CG2-CE2 3.08Å; I397-Y429 HydrophobicContact CG2-CG 4.44Å; I397-Y429 WeakPolarHBondContact O-CD1 3.49Å; I397-Y429 WeakPolarHBondContact O-CE1 3.35Å
398	N	63.9	Low	71.5	Confident	95 Å²	95	67.7 Å²	67.7	51%	0.508	32%	0.316	S	S	.	.	H	α-helix	trans	-56	-36.1	176.9	-73	-18.1	0	0	0	113.6	L394 K395 W396 S401 Y429	L394-N398 VanDerWaalsContact O-CG 3.31Å; L394-N398 PolarHBondContact O-N 2.7Å; L394-N398 PolarHBondContact O-ND2 3.21Å; K395-N398 PolarHBondContact O-N 2.93Å; W396-N398 VanDerWaalsContact C-N 3.28Å; W396-N398 PolarHBondContact O-N 2.78Å; N398-S401 PolarHBondContact O-OG 2.86Å; N398-Y429 VanDerWaalsContact CA-OH 3.3Å; N398-Y429 WeakPolarHBondContact CA-OH 3.38Å; N398-Y429 PolarHBondContact OD1-OH 3.47Å
399	H	66.7	Low	71.9	Confident	53 Å²	53	61.3 Å²	61.3	25%	0.245	29%	0.29	C	S	.	.	H	α-helix	trans	-77	-20	-179.3	-69.7	-64.1	0	0	0	114.6	L368 K395 W396 I397 S401 I402	L368-H399 HydrophobicContact CD1-CB 3.51Å; L368-H399 VanDerWaalsContact CD1-CG 3.42Å; L368-H399 HydrophobicContact CD2-CB 3.59Å; L368-H399 HydrophobicContact CG-CB 4.2Å; K395-H399 PolarHBondContact O-CD2 2.85Å; W396-H399 PolarHBondContact O-N 2.9Å; W396-H399 VanDerWaalsContact O-N 3.09Å; I397-H399 PolarHBondContact O-N 3.49Å; H399-S401 PolarHBondContact O-N 2.78Å; H399-I402 WeakPolarHBondContact O-CG1 3.49Å
400	L	67.1	Low	72.3	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.042	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65	-20	-179.5	-72.1	179.6	0	0	0	113.8	I379 I380 I384 W396 I397 I402 M403 L417 Y429	I379-L400 HydrophobicContact CG2-CD2 3.93Å; I380-L400 HydrophobicContact CG1-CD1 4.42Å; I380-L400 HydrophobicContact CG1-CD2 4.33Å; I384-L400 HydrophobicContact CD1-CD1 3.31Å; I384-L400 HydrophobicContact CD1-CD2 4.39Å; I384-L400 HydrophobicContact CD1-CG 3.91Å; W396-L400 PolarHBondContact O-N 3.11Å; I397-L400 PolarHBondContact O-N 2.82Å; I397-L400 VanDerWaalsContact O-N 3.11Å; L400-I402 PolarHBondContact O-N 2.82Å; L400-M403 HydrophobicContact CD2-CE 3.44Å; L400-M403 VanDerWaalsContact CD2-CE 3.44Å; L400-M403 WeakPolarHBondContact O-CG 3.38Å; L400-L417 HydrophobicContact CD1-CD1 4.07Å; L400-Y429 HydrophobicContact CB-CD1 4.14Å; L400-Y429 HydrophobicContact CB-CG 4.42Å
401	S	59.5	Low	73.1	Confident	18.5 Å²	18.5	52.5 Å²	52.5	13%	0.129	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-68.1	66.1	-179	62.2	0	0	0	0	112.1	N398 H399 M403 Y429	N398-S401 PolarHBondContact O-OG 2.86Å; H399-S401 PolarHBondContact O-N 2.78Å; S401-M403 PolarHBondContact O-N 3.26Å; S401-M403 VanDerWaalsContact O-N 3.14Å; S401-Y429 WeakPolarHBondContact O-CE2 3.26Å
402	I	59.7	Low	74	Confident	45.5 Å²	45.5	49.8 Å²	49.8	23%	0.233	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-77.6	59.2	-177.1	-61.9	172.4	0	0	0	110.7	H399 L400 V432 L436 K727	H399-I402 WeakPolarHBondContact O-CG1 3.49Å; L400-I402 PolarHBondContact O-N 2.82Å; I402-V432 HydrophobicContact CB-CG1 4.34Å; I402-V432 HydrophobicContact CD1-CG1 4.13Å; I402-V432 HydrophobicContact CG1-CG1 4.01Å; I402-V432 HydrophobicContact CG2-CG1 3.45Å; I402-V432 VanDerWaalsContact CG2-CG1 3.45Å; I402-L436 HydrophobicContact CG2-CD1 3.25Å; I402-K727 HydrophobicContact CG2-CD 3.89Å; I402-K727 WeakPolarHBondContact O-CE 3.29Å; I402-K727 PolarHBondContact O-NZ 3.04Å
403	M	66.6	Low	74.6	Confident	11.5 Å²	11.5	46.9 Å²	46.9	6%	0.057	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-68.8	132.7	-178	-57.6	-136.4	-167.6	0	0	111.2	I376 L400 S401 P406 M410 I414 Y429 L436	I376-M403 HydrophobicContact CB-CE 4.11Å; I376-M403 HydrophobicContact CB-SD 4.36Å; I376-M403 HydrophobicContact CD1-CE 3.2Å; I376-M403 HydrophobicContact CD1-SD 3.56Å; I376-M403 VanDerWaalsContact CD1-SD 3.56Å; I376-M403 HydrophobicContact CG1-CE 3.57Å; I376-M403 HydrophobicContact CG1-SD 3.48Å; I376-M403 WeakPolarHBondContact CG1-SD 3.22Å; I376-M403 HydrophobicContact CG2-CE 3.53Å; I376-M403 HydrophobicContact CG2-SD 3.99Å; L400-M403 HydrophobicContact CD2-CE 3.44Å; L400-M403 VanDerWaalsContact CD2-CE 3.44Å; L400-M403 WeakPolarHBondContact O-CG 3.38Å; S401-M403 PolarHBondContact O-N 3.26Å; S401-M403 VanDerWaalsContact O-N 3.14Å; M403-P406 HydrophobicContact SD-CB 4.43Å; M403-M410 HydrophobicContact SD-CB 4.34Å; M403-M410 HydrophobicContact SD-CG 4.4Å; M403-M410 HydrophobicContact SD-SD 3.68Å; M403-M410 VanDerWaalsContact SD-SD 3.68Å; M403-I414 HydrophobicContact CE-CD1 3.33Å; M403-I414 HydrophobicContact CE-CG1 3.73Å; M403-I414 HydrophobicContact SD-CD1 4.07Å; M403-Y429 HydrophobicContact CE-CE1 4.05Å; M403-Y429 WeakPolarHBondContact CE-OH 2.97Å; M403-L436 WeakPolarHBondContact O-CD1 3.23Å
404	K	64.6	Low	75.1	Confident	99 Å²	99	46.6 Å²	46.6	43%	0.43	22%	0.224	S	C	.	.	S	Bend	trans	-83.6	-36.8	-180	-72.2	-173.8	174.8	-179.6	0	114.3	L762	K404-L762 PolarHBondContact NZ-O 2.94Å
405	K	71.6	Confident	76	Confident	157 Å²	157	47.4 Å²	47.4	68%	0.683	23%	0.226	S	C	*	.	S	Bend	trans	-143.5	77.8	-173.1	-70.9	-172.2	176.3	-173.1	0	109.8	T407	K405-T407 PolarHBondContact O-N 3.15Å
406	P	82.2	Confident	76.7	Confident	4.5 Å²	4.5	46 Å²	46	3%	0.029	23%	0.225	C	C	.	.			trans	-60.6	133.3	175.2	24.4	-32.4	0	0	0	110.5	M403 M411 S433 L436 F437	M403-P406 HydrophobicContact SD-CB 4.43Å; P406-M411 HydrophobicContact CB-CG 4.22Å; P406-M411 HydrophobicContact CB-SD 3.74Å; P406-M411 HydrophobicContact CG-SD 4.27Å; P406-S433 WeakPolarHBondContact CG-O 3.39Å; P406-L436 HydrophobicContact CG-CB 4.35Å; P406-F437 HydrophobicContact CB-CD2 4.45Å; P406-F437 HydrophobicContact CG-CB 3.71Å; P406-F437 HydrophobicContact CG-CD2 4.24Å; P406-F437 HydrophobicContact CG-CG 4.49Å; P406-F437 VanDerWaalsContact O-CD2 3.26Å; P406-F437 WeakPolarHBondContact O-CD2 3.33Å
407	T	85.7	Confident	77.2	Confident	51 Å²	51	45.7 Å²	45.7	31%	0.313	22%	0.224	S	C	.	.			trans	-89.2	167	171.4	65.6	0	0	0	0	110.5	E373 K405 E409 M410 M411	E373-T407 PolarHBondContact OE2-OG1 3.07Å; K405-T407 PolarHBondContact O-N 3.15Å; T407-E409 VanDerWaalsContact C-N 3.3Å; T407-E409 PolarHBondContact O-N 2.97Å; T407-M410 HydrophobicContact CG2-CE 4.25Å; T407-M410 HydrophobicContact CG2-SD 4.4Å; T407-M410 PolarHBondContact N-SD 2.9Å; T407-M410 VanDerWaalsContact N-SD 3.41Å; T407-M410 WeakPolarHBondContact O-CB 3.39Å; T407-M410 PolarHBondContact O-N 3Å; T407-M410 VanDerWaalsContact OG1-CG 3.32Å; T407-M410 WeakPolarHBondContact OG1-CG 3.36Å; T407-M410 PolarHBondContact OG1-N 3Å; T407-M411 VanDerWaalsContact O-CG 3.31Å; T407-M411 WeakPolarHBondContact O-CG 3.3Å; T407-M411 PolarHBondContact O-N 3.43Å
408	I	86.1	Confident	77.7	Confident	73.5 Å²	73.5	46.4 Å²	46.4	38%	0.377	23%	0.227	S	C	.	.	H	α-helix	trans	-60.1	-40.5	178	-66.8	169	0	0	0	111.3	M411 K412 F437 I447 I449	I408-M411 WeakPolarHBondContact O-CB 3.44Å; I408-M411 PolarHBondContact O-N 3.19Å; I408-K412 WeakPolarHBondContact O-CG 3.37Å; I408-K412 PolarHBondContact O-N 3.14Å; I408-F437 HydrophobicContact CG1-CE2 3.88Å; I408-F437 HydrophobicContact CG1-CZ 3.77Å; I408-I447 HydrophobicContact CD1-CD1 4.29Å; I408-I447 HydrophobicContact CG1-CD1 4.44Å; I408-I449 HydrophobicContact CG2-CD1 4.06Å
409	E	84.2	Confident	78.3	Confident	84.5 Å²	84.5	46.1 Å²	46.1	40%	0.395	23%	0.229	S	C	.	.	H	α-helix	trans	-66.6	-41.5	176.9	-64.6	-56.5	142.4	0	0	112.1	E373 T407 M411 K412 E413	E373-E409 VanDerWaalsContact CD-CB 3.45Å; E373-E409 HydrophobicContact CG-CB 4.3Å; E373-E409 WeakPolarHBondContact OE1-CB 3.45Å; E373-E409 WeakPolarHBondContact OE1-CG 2.99Å; T407-E409 VanDerWaalsContact C-N 3.3Å; T407-E409 PolarHBondContact O-N 2.97Å; E409-M411 VanDerWaalsContact C-N 3.27Å; E409-M411 PolarHBondContact O-N 3.02Å; E409-K412 WeakPolarHBondContact O-CB 3.4Å; E409-K412 PolarHBondContact O-N 3.02Å; E409-K412 VanDerWaalsContact O-N 3.13Å; E409-K412 WeakPolarHBondContact OE1-CE 3.39Å; E409-K412 IonicContact OE1-NZ 3.15Å; E409-K412 PolarHBondContact OE1-NZ 2.8Å; E409-K412 WeakPolarHBondContact OE2-CD 3.35Å; E409-K412 IonicContact OE2-NZ 3.65Å; E409-K412 PolarHBondContact OE2-NZ 2.99Å; E409-E413 PolarHBondContact O-N 3.21Å
410	M	86.2	Confident	78.4	Confident	8.5 Å²	8.5	47.2 Å²	47.2	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-57.1	-43.6	170.1	-69.1	173.7	-177.3	0	0	111	E373 I376 M403 T407 K412 E413 I414	E373-M410 HydrophobicContact CB-CE 3.86Å; E373-M410 HydrophobicContact CB-CG 4.37Å; E373-M410 HydrophobicContact CG-CG 4.05Å; I376-M410 HydrophobicContact CG1-CE 4.47Å; M403-M410 HydrophobicContact SD-CB 4.34Å; M403-M410 HydrophobicContact SD-CG 4.4Å; M403-M410 HydrophobicContact SD-SD 3.68Å; M403-M410 VanDerWaalsContact SD-SD 3.68Å; T407-M410 HydrophobicContact CG2-CE 4.25Å; T407-M410 HydrophobicContact CG2-SD 4.4Å; T407-M410 PolarHBondContact N-SD 2.9Å; T407-M410 VanDerWaalsContact N-SD 3.41Å; T407-M410 WeakPolarHBondContact O-CB 3.39Å; T407-M410 PolarHBondContact O-N 3Å; T407-M410 VanDerWaalsContact OG1-CG 3.32Å; T407-M410 WeakPolarHBondContact OG1-CG 3.36Å; T407-M410 PolarHBondContact OG1-N 3Å; M410-K412 VanDerWaalsContact C-N 3.3Å; M410-K412 PolarHBondContact O-N 3.05Å; M410-E413 PolarHBondContact O-N 2.84Å; M410-E413 VanDerWaalsContact O-N 3.12Å; M410-I414 HydrophobicContact CB-CD1 4.45Å; M410-I414 WeakPolarHBondContact O-CB 3.46Å; M410-I414 WeakPolarHBondContact O-CD1 3.49Å; M410-I414 WeakPolarHBondContact O-CG1 3.17Å; M410-I414 PolarHBondContact O-N 3.03Å
411	M	87.8	Confident	79	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-33.6	179.2	-67.9	-56.3	-68.8	0	0	112.5	P406 T407 I408 E409 E413 I414 K415 I434 F437 I450 M453	P406-M411 HydrophobicContact CB-CG 4.22Å; P406-M411 HydrophobicContact CB-SD 3.74Å; P406-M411 HydrophobicContact CG-SD 4.27Å; T407-M411 VanDerWaalsContact O-CG 3.31Å; T407-M411 WeakPolarHBondContact O-CG 3.3Å; T407-M411 PolarHBondContact O-N 3.43Å; I408-M411 WeakPolarHBondContact O-CB 3.44Å; I408-M411 PolarHBondContact O-N 3.19Å; E409-M411 VanDerWaalsContact C-N 3.27Å; E409-M411 PolarHBondContact O-N 3.02Å; M411-E413 VanDerWaalsContact C-N 3.33Å; M411-I414 PolarHBondContact O-N 3.26Å; M411-I414 HydrophobicContact SD-CD1 3.87Å; M411-K415 WeakPolarHBondContact O-CB 3.48Å; M411-K415 PolarHBondContact O-N 3.12Å; M411-I434 HydrophobicContact CE-CB 4.48Å; M411-I434 HydrophobicContact CE-CG1 3.71Å; M411-F437 HydrophobicContact CG-CB 4.5Å; M411-F437 HydrophobicContact CG-CD2 3.78Å; M411-F437 HydrophobicContact CG-CE2 4.29Å; M411-F437 HydrophobicContact CG-CG 4.21Å; M411-F437 HydrophobicContact SD-CB 4.36Å; M411-I450 HydrophobicContact CB-CD1 4.24Å; M411-I450 HydrophobicContact CE-CD1 3.43Å; M411-I450 VanDerWaalsContact CE-CD1 3.43Å; M411-I450 HydrophobicContact CG-CD1 4.03Å; M411-I450 HydrophobicContact SD-CD1 4.49Å; M411-M453 HydrophobicContact CE-CE 3.69Å; M411-M453 HydrophobicContact CE-SD 3.96Å
412	K	87.5	Confident	79.7	Confident	93.5 Å²	93.5	52.6 Å²	52.6	41%	0.407	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-43.6	172.1	-69	178.7	-167.1	164.6	0	111.7	I408 E409 M410 K415 I449	I408-K412 WeakPolarHBondContact O-CG 3.37Å; I408-K412 PolarHBondContact O-N 3.14Å; E409-K412 WeakPolarHBondContact O-CB 3.4Å; E409-K412 PolarHBondContact O-N 3.02Å; E409-K412 VanDerWaalsContact O-N 3.13Å; E409-K412 WeakPolarHBondContact OE1-CE 3.39Å; E409-K412 IonicContact OE1-NZ 3.15Å; E409-K412 PolarHBondContact OE1-NZ 2.8Å; E409-K412 WeakPolarHBondContact OE2-CD 3.35Å; E409-K412 IonicContact OE2-NZ 3.65Å; E409-K412 PolarHBondContact OE2-NZ 2.99Å; M410-K412 VanDerWaalsContact C-N 3.3Å; M410-K412 PolarHBondContact O-N 3.05Å; K412-K415 WeakPolarHBondContact O-CB 3.37Å; K412-K415 PolarHBondContact O-N 2.83Å; K412-I449 HydrophobicContact CD-CD1 4.2Å; K412-I449 HydrophobicContact CG-CD1 3.52Å; K412-I449 VanDerWaalsContact CG-CD1 3.46Å; K412-I449 HydrophobicContact CG-CG1 4.34Å
413	E	86.5	Confident	80.7	Confident	48.5 Å²	48.5	52.4 Å²	52.4	23%	0.227	26%	0.262	C	S	.	.	H	α-helix	trans	-71.2	-40.2	179	-119.3	-5.5	-162.3	0	0	111.6	I377 I380 E409 M410 M411 K415 S416	I377-E413 HydrophobicContact CD1-CG 4.19Å; I377-E413 HydrophobicContact CG1-CB 4.36Å; I377-E413 HydrophobicContact CG1-CG 3.93Å; I377-E413 HydrophobicContact CG2-CG 4.33Å; I380-E413 HydrophobicContact CD1-CB 4.44Å; E409-E413 PolarHBondContact O-N 3.21Å; M410-E413 PolarHBondContact O-N 2.84Å; M410-E413 VanDerWaalsContact O-N 3.12Å; M411-E413 VanDerWaalsContact C-N 3.33Å; E413-K415 VanDerWaalsContact C-N 3.27Å; E413-K415 PolarHBondContact O-N 2.89Å; E413-S416 VanDerWaalsContact O-CB 3.28Å; E413-S416 WeakPolarHBondContact O-CB 3.35Å; E413-S416 PolarHBondContact O-N 2.99Å; E413-S416 VanDerWaalsContact O-N 3.13Å; E413-S416 PolarHBondContact O-OG 3.14Å
414	I	86.9	Confident	81	Confident	2.5 Å²	2.5	55.9 Å²	55.9	1%	0.013	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-34.9	173.9	-67.9	165.4	0	0	0	111.2	I380 M403 M410 M411 S416 L417 Y429 V430 M453	I380-I414 HydrophobicContact CD1-CG1 3.8Å; M403-I414 HydrophobicContact CE-CD1 3.33Å; M403-I414 HydrophobicContact CE-CG1 3.73Å; M403-I414 HydrophobicContact SD-CD1 4.07Å; M410-I414 HydrophobicContact CB-CD1 4.45Å; M410-I414 WeakPolarHBondContact O-CB 3.46Å; M410-I414 WeakPolarHBondContact O-CD1 3.49Å; M410-I414 WeakPolarHBondContact O-CG1 3.17Å; M410-I414 PolarHBondContact O-N 3.03Å; M411-I414 PolarHBondContact O-N 3.26Å; M411-I414 HydrophobicContact SD-CD1 3.87Å; I414-S416 PolarHBondContact O-N 3.21Å; I414-L417 HydrophobicContact CG2-CD1 4.48Å; I414-L417 WeakPolarHBondContact O-CB 3.44Å; I414-L417 WeakPolarHBondContact O-CG 3.4Å; I414-L417 PolarHBondContact O-N 3.13Å; I414-Y429 HydrophobicContact CG1-CE1 4.24Å; I414-V430 HydrophobicContact CG2-CB 4.24Å; I414-V430 HydrophobicContact CG2-CG1 4.09Å; I414-V430 HydrophobicContact CG2-CG2 3.77Å; I414-M453 HydrophobicContact CB-CE 4.43Å; I414-M453 HydrophobicContact CG2-CE 3.92Å
415	K	87.7	Confident	81.4	Confident	63 Å²	63	54.4 Å²	54.4	27%	0.274	28%	0.276	S	S	.	.	H	α-helix	trans	-57.7	-32.7	175.4	-177.9	-177.9	169.8	-169.3	0	112.1	M411 K412 E413 L417 L418 I449 E452 M453	M411-K415 WeakPolarHBondContact O-CB 3.48Å; M411-K415 PolarHBondContact O-N 3.12Å; K412-K415 WeakPolarHBondContact O-CB 3.37Å; K412-K415 PolarHBondContact O-N 2.83Å; E413-K415 VanDerWaalsContact C-N 3.27Å; E413-K415 PolarHBondContact O-N 2.89Å; K415-L417 PolarHBondContact O-N 2.86Å; K415-L417 VanDerWaalsContact O-N 3.16Å; K415-L418 WeakPolarHBondContact O-CB 3.46Å; K415-L418 PolarHBondContact O-N 3.15Å; K415-I449 HydrophobicContact CD-CG2 4.34Å; K415-E452 IonicContact NZ-OE2 2.73Å; K415-E452 PolarHBondContact NZ-OE2 2.98Å; K415-M453 HydrophobicContact CB-CE 4.25Å; K415-M453 HydrophobicContact CB-CG 4.02Å; K415-M453 HydrophobicContact CB-SD 3.9Å; K415-M453 HydrophobicContact CD-CG 4.21Å; K415-M453 HydrophobicContact CG-CG 3.84Å; K415-M453 HydrophobicContact CG-SD 4.38Å
416	S	85.5	Confident	81.8	Confident	40.5 Å²	40.5	46.9 Å²	46.9	28%	0.283	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.9	176.5	79.5	0	0	0	0	112.8	E413 I414 L418 T419 S420	E413-S416 VanDerWaalsContact O-CB 3.28Å; E413-S416 WeakPolarHBondContact O-CB 3.35Å; E413-S416 PolarHBondContact O-N 2.99Å; E413-S416 VanDerWaalsContact O-N 3.13Å; E413-S416 PolarHBondContact O-OG 3.14Å; I414-S416 PolarHBondContact O-N 3.21Å; S416-L418 VanDerWaalsContact C-N 3.26Å; S416-L418 PolarHBondContact O-N 3.11Å; S416-T419 VanDerWaalsContact O-CG2 3.3Å; S416-T419 WeakPolarHBondContact O-CG2 3.35Å; S416-T419 PolarHBondContact O-N 2.84Å; S416-T419 PolarHBondContact O-OG1 3.02Å; S416-S420 PolarHBondContact O-N 3.1Å
417	L	84.6	Confident	81.8	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.9	177.2	-59.3	177.2	0	0	0	112.8	I380 I384 V385 L400 I414 K415 T419 S420 T426 Y429 V430	I380-L417 HydrophobicContact CD1-CD1 4.5Å; I380-L417 HydrophobicContact CG2-CD2 4.1Å; I380-L417 HydrophobicContact CG2-CG 4.44Å; I384-L417 HydrophobicContact CG2-CD2 3.86Å; V385-L417 HydrophobicContact CG2-CD2 4.44Å; L400-L417 HydrophobicContact CD1-CD1 4.07Å; I414-L417 HydrophobicContact CG2-CD1 4.48Å; I414-L417 WeakPolarHBondContact O-CB 3.44Å; I414-L417 WeakPolarHBondContact O-CG 3.4Å; I414-L417 PolarHBondContact O-N 3.13Å; K415-L417 PolarHBondContact O-N 2.86Å; K415-L417 VanDerWaalsContact O-N 3.16Å; L417-T419 VanDerWaalsContact C-N 3.34Å; L417-T419 PolarHBondContact O-N 3.17Å; L417-T419 VanDerWaalsContact O-N 3.09Å; L417-S420 PolarHBondContact O-OG 2.98Å; L417-T426 HydrophobicContact CB-CG2 3.9Å; L417-T426 HydrophobicContact CD1-CG2 4.44Å; L417-T426 HydrophobicContact CD2-CG2 4.11Å; L417-T426 HydrophobicContact CG-CG2 4.39Å; L417-T426 PolarHBondContact O-OG1 3Å; L417-Y429 HydrophobicContact CD1-CD1 3.93Å; L417-Y429 HydrophobicContact CD1-CE1 4.12Å; L417-V430 HydrophobicContact CB-CG2 4.23Å
418	L	81.6	Confident	81.5	Confident	14.5 Å²	14.5	47.8 Å²	47.8	8%	0.076	24%	0.241	C	C	.	.			trans	-77	3.6	175.8	-65.2	175.6	0	0	0	112.8	K415 S416 Y423 V427 V430 M453 I456 I457	K415-L418 WeakPolarHBondContact O-CB 3.46Å; K415-L418 PolarHBondContact O-N 3.15Å; S416-L418 VanDerWaalsContact C-N 3.26Å; S416-L418 PolarHBondContact O-N 3.11Å; L418-Y423 HydrophobicContact CD2-CD2 4.15Å; L418-Y423 HydrophobicContact CD2-CE2 3.84Å; L418-Y423 VanDerWaalsContact O-CD2 3.24Å; L418-Y423 WeakPolarHBondContact O-CD2 3.29Å; L418-V427 HydrophobicContact CD2-CG2 4.32Å; L418-V430 HydrophobicContact CD1-CG1 4Å; L418-V430 HydrophobicContact CD2-CB 3.97Å; L418-V430 HydrophobicContact CD2-CG1 3.84Å; L418-V430 HydrophobicContact CD2-CG2 3.84Å; L418-V430 HydrophobicContact CG-CB 4.39Å; L418-V430 HydrophobicContact CG-CG1 3.98Å; L418-V430 HydrophobicContact CG-CG2 4.09Å; L418-M453 HydrophobicContact CD1-CB 3.91Å; L418-M453 HydrophobicContact CD1-CE 4.23Å; L418-M453 HydrophobicContact CD1-CG 3.87Å; L418-I456 HydrophobicContact CB-CG2 4.24Å; L418-I456 HydrophobicContact CD1-CB 4.34Å; L418-I456 HydrophobicContact CD1-CD1 4.26Å; L418-I456 HydrophobicContact CD1-CG2 4.2Å; L418-I457 HydrophobicContact CD2-CD1 4.34Å; L418-I457 HydrophobicContact CD2-CG1 4.15Å
419	T	75.6	Confident	81.1	Confident	90 Å²	90	45.3 Å²	45.3	55%	0.552	23%	0.227	S	C	*	.	S	Bend	trans	-86.5	74.6	176.4	47.3	0	0	0	0	112.4	S416 L417 H421 L422 Y423	S416-T419 VanDerWaalsContact O-CG2 3.3Å; S416-T419 WeakPolarHBondContact O-CG2 3.35Å; S416-T419 PolarHBondContact O-N 2.84Å; S416-T419 PolarHBondContact O-OG1 3.02Å; L417-T419 VanDerWaalsContact C-N 3.34Å; L417-T419 PolarHBondContact O-N 3.17Å; L417-T419 VanDerWaalsContact O-N 3.09Å; T419-H421 VanDerWaalsContact C-N 3.29Å; T419-H421 PolarHBondContact O-N 3.48Å; T419-L422 PolarHBondContact O-N 3.46Å; T419-L422 VanDerWaalsContact O-N 3.08Å; T419-Y423 WeakPolarHBondContact O-CA 3.5Å; T419-Y423 WeakPolarHBondContact O-CB 3.33Å; T419-Y423 PolarHBondContact O-N 2.98Å
420	S	70.1	Confident	81.2	Confident	76 Å²	76	41.2 Å²	41.2	53%	0.531	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-119.1	-174.7	64.1	0	0	0	0	113.7	S416 L417 L422 Y423	S416-S420 PolarHBondContact O-N 3.1Å; L417-S420 PolarHBondContact O-OG 2.98Å; S420-L422 PolarHBondContact O-N 2.64Å; S420-L422 WeakPolarHBondContact OG-CB 3.46Å; S420-L422 PolarHBondContact OG-N 2.84Å; S420-Y423 PolarHBondContact O-N 3.21Å
421	H	77.9	Confident	81.1	Confident	132.5 Å²	132.5	40.8 Å²	40.8	61%	0.613	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.3	172.6	118	-84.7	0	0	0	113	T419 Y423	T419-H421 VanDerWaalsContact C-N 3.29Å; T419-H421 PolarHBondContact O-N 3.48Å; H421-Y423 VanDerWaalsContact C-N 3.33Å
422	L	75.7	Confident	80.9	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.037	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.2	-177.9	-60.1	171.8	0	0	0	113.3	I384 I397 T419 S420 N424 H425 T426	I384-L422 HydrophobicContact CG2-CD1 3.71Å; I397-L422 HydrophobicContact CD1-CB 4.48Å; I397-L422 HydrophobicContact CD1-CD1 4.26Å; T419-L422 PolarHBondContact O-N 3.46Å; T419-L422 VanDerWaalsContact O-N 3.08Å; S420-L422 PolarHBondContact O-N 2.64Å; S420-L422 WeakPolarHBondContact OG-CB 3.46Å; S420-L422 PolarHBondContact OG-N 2.84Å; L422-N424 VanDerWaalsContact C-N 3.32Å; L422-N424 PolarHBondContact O-N 3.4Å; L422-N424 VanDerWaalsContact O-N 3.1Å; L422-H425 CarbonylContact O-C 3.59Å; L422-H425 WeakPolarHBondContact O-CA 3.48Å; L422-H425 WeakPolarHBondContact O-CB 3.44Å; L422-H425 PolarHBondContact O-N 3.31Å; L422-T426 HydrophobicContact CB-CG2 3.85Å; L422-T426 PolarHBondContact O-N 2.89Å; L422-T426 PolarHBondContact O-OG1 3.07Å; L422-T426 VanDerWaalsContact O-OG1 3.11Å
423	Y	79.6	Confident	80.8	Confident	41 Å²	41	37.2 Å²	37.2	16%	0.161	19%	0.192	C	C	.	.	H	α-helix	trans	-43.9	-50.9	-174.1	-176.9	-97.7	0	0	0	112.9	L418 T419 S420 H421 H425 T426 V427 S460	L418-Y423 HydrophobicContact CD2-CD2 4.15Å; L418-Y423 HydrophobicContact CD2-CE2 3.84Å; L418-Y423 VanDerWaalsContact O-CD2 3.24Å; L418-Y423 WeakPolarHBondContact O-CD2 3.29Å; T419-Y423 WeakPolarHBondContact O-CA 3.5Å; T419-Y423 WeakPolarHBondContact O-CB 3.33Å; T419-Y423 PolarHBondContact O-N 2.98Å; S420-Y423 PolarHBondContact O-N 3.21Å; H421-Y423 VanDerWaalsContact C-N 3.33Å; Y423-H425 PolarHBondContact O-N 3.29Å; Y423-H425 VanDerWaalsContact O-N 3.13Å; Y423-T426 WeakPolarHBondContact CA-OG1 3.43Å; Y423-T426 PolarHBondContact O-N 3.01Å; Y423-T426 PolarHBondContact O-OG1 3.22Å; Y423-V427 HydrophobicContact CD1-CB 4.49Å; Y423-V427 HydrophobicContact CD2-CB 4.4Å; Y423-V427 HydrophobicContact CD2-CG2 4.49Å; Y423-V427 HydrophobicContact CE1-CB 4.25Å; Y423-V427 HydrophobicContact CE1-CG1 4.4Å; Y423-V427 HydrophobicContact CE1-CG2 4.23Å; Y423-V427 HydrophobicContact CE2-CB 4.08Å; Y423-V427 HydrophobicContact CE2-CG2 3.82Å; Y423-V427 VanDerWaalsContact O-CB 3.27Å; Y423-V427 WeakPolarHBondContact O-CB 3.32Å; Y423-V427 VanDerWaalsContact O-CG1 3.28Å; Y423-V427 WeakPolarHBondContact O-CG1 3.18Å; Y423-V427 PolarHBondContact O-N 2.94Å; Y423-V427 WeakPolarHBondContact OH-CG2 3.25Å; Y423-S460 VanDerWaalsContact OH-CB 3.24Å; Y423-S460 WeakPolarHBondContact OH-CB 3.47Å; Y423-S460 PolarHBondContact OH-OG 3.19Å
424	N	72.7	Confident	80.8	Confident	85.5 Å²	85.5	34.9 Å²	34.9	46%	0.457	18%	0.181	S	C	.	.	H	α-helix	trans	-63.5	-18.9	-177.5	-71.3	-20.6	0	0	0	114.5	L422 K471	L422-N424 VanDerWaalsContact C-N 3.32Å; L422-N424 PolarHBondContact O-N 3.4Å; L422-N424 VanDerWaalsContact O-N 3.1Å; N424-K471 PolarHBondContact O-NZ 3.11Å
425	H	74.2	Confident	80.8	Confident	66.5 Å²	66.5	36.9 Å²	36.9	31%	0.308	19%	0.19	S	C	.	.	H	α-helix	trans	-101.7	-31.1	178.5	-63.9	-74.4	0	0	0	112	L394 I397 L422 Y423 Y429	L394-H425 HydrophobicContact CD2-CB 3.82Å; L394-H425 WeakPolarHBondContact CD2-ND1 3.38Å; I397-H425 HydrophobicContact CD1-CB 4.07Å; I397-H425 HydrophobicContact CG2-CB 4.42Å; I397-H425 WeakPolarHBondContact CG2-O 3.26Å; L422-H425 CarbonylContact O-C 3.59Å; L422-H425 WeakPolarHBondContact O-CA 3.48Å; L422-H425 WeakPolarHBondContact O-CB 3.44Å; L422-H425 PolarHBondContact O-N 3.31Å; Y423-H425 PolarHBondContact O-N 3.29Å; Y423-H425 VanDerWaalsContact O-N 3.13Å; H425-Y429 VanDerWaalsContact O-CD2 3.25Å; H425-Y429 WeakPolarHBondContact O-CD2 3.02Å; H425-Y429 WeakPolarHBondContact O-CE2 3.32Å
426	T	80.4	Confident	80.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-96.2	-26.7	-172.6	56.5	0	0	0	0	113.8	I397 L417 L422 Y423 Y428 Y429 V430	I397-T426 HydrophobicContact CD1-CG2 3.99Å; I397-T426 HydrophobicContact CG1-CG2 4.23Å; L417-T426 HydrophobicContact CB-CG2 3.9Å; L417-T426 HydrophobicContact CD1-CG2 4.44Å; L417-T426 HydrophobicContact CD2-CG2 4.11Å; L417-T426 HydrophobicContact CG-CG2 4.39Å; L417-T426 PolarHBondContact O-OG1 3Å; L422-T426 HydrophobicContact CB-CG2 3.85Å; L422-T426 PolarHBondContact O-N 2.89Å; L422-T426 PolarHBondContact O-OG1 3.07Å; L422-T426 VanDerWaalsContact O-OG1 3.11Å; Y423-T426 WeakPolarHBondContact CA-OG1 3.43Å; Y423-T426 PolarHBondContact O-N 3.01Å; Y423-T426 PolarHBondContact O-OG1 3.22Å; T426-Y428 VanDerWaalsContact C-N 3.26Å; T426-Y428 PolarHBondContact O-N 3.12Å; T426-Y428 VanDerWaalsContact O-N 3.15Å; T426-Y429 WeakPolarHBondContact O-CA 3.46Å; T426-Y429 VanDerWaalsContact O-CB 3.28Å; T426-Y429 WeakPolarHBondContact O-CB 3.49Å; T426-Y429 PolarHBondContact O-N 3.27Å; T426-V430 WeakPolarHBondContact O-CG2 3.27Å; T426-V430 PolarHBondContact O-N 3.16Å
427	V	81.9	Confident	80.6	Confident	4.5 Å²	4.5	33.7 Å²	33.7	3%	0.027	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-35.6	-171.1	64.9	0	0	0	0	113.6	L418 Y423 V430 S431 I457 I475	L418-V427 HydrophobicContact CD2-CG2 4.32Å; Y423-V427 HydrophobicContact CD1-CB 4.49Å; Y423-V427 HydrophobicContact CD2-CB 4.4Å; Y423-V427 HydrophobicContact CD2-CG2 4.49Å; Y423-V427 HydrophobicContact CE1-CB 4.25Å; Y423-V427 HydrophobicContact CE1-CG1 4.4Å; Y423-V427 HydrophobicContact CE1-CG2 4.23Å; Y423-V427 HydrophobicContact CE2-CB 4.08Å; Y423-V427 HydrophobicContact CE2-CG2 3.82Å; Y423-V427 VanDerWaalsContact O-CB 3.27Å; Y423-V427 WeakPolarHBondContact O-CB 3.32Å; Y423-V427 VanDerWaalsContact O-CG1 3.28Å; Y423-V427 WeakPolarHBondContact O-CG1 3.18Å; Y423-V427 PolarHBondContact O-N 2.94Å; Y423-V427 WeakPolarHBondContact OH-CG2 3.25Å; V427-V430 PolarHBondContact O-N 2.87Å; V427-S431 WeakPolarHBondContact O-CB 3.37Å; V427-S431 PolarHBondContact O-N 3.23Å; V427-I457 HydrophobicContact CG2-CD1 4.29Å; V427-I457 HydrophobicContact CG2-CG1 4.09Å; V427-I457 HydrophobicContact CG2-CG2 4.46Å; V427-I475 HydrophobicContact CB-CD1 4.04Å; V427-I475 HydrophobicContact CB-CG1 4.4Å; V427-I475 HydrophobicContact CG1-CD1 3.39Å; V427-I475 HydrophobicContact CG1-CG1 4.11Å; V427-I475 HydrophobicContact CG2-CD1 3.5Å; V427-I475 VanDerWaalsContact CG2-CD1 3.47Å; V427-I475 HydrophobicContact CG2-CG1 3.97Å; V427-I475 HydrophobicContact CG2-CG2 4.16Å
428	Y	78.7	Confident	80.7	Confident	70 Å²	70	34.1 Å²	34.1	28%	0.275	18%	0.175	S	C	.	.	H	α-helix	trans	-60.6	-49.1	175.2	175.5	-101.5	0	0	0	110.8	T426 V430 S431 V432 E474 N478	T426-Y428 VanDerWaalsContact C-N 3.26Å; T426-Y428 PolarHBondContact O-N 3.12Å; T426-Y428 VanDerWaalsContact O-N 3.15Å; Y428-V430 VanDerWaalsContact C-N 3.3Å; Y428-V430 PolarHBondContact O-N 2.93Å; Y428-S431 WeakPolarHBondContact O-CB 3.35Å; Y428-S431 PolarHBondContact O-N 3.07Å; Y428-S431 VanDerWaalsContact O-N 3.14Å; Y428-S431 PolarHBondContact O-OG 3.15Å; Y428-V432 HydrophobicContact CD1-CG2 4.36Å; Y428-V432 HydrophobicContact CE1-CG2 3.93Å; Y428-V432 HydrophobicContact CE2-CG2 4.26Å; Y428-V432 WeakPolarHBondContact O-CG2 2.96Å; Y428-V432 PolarHBondContact O-N 2.77Å; Y428-E474 HydrophobicContact CD2-CB 3.75Å; Y428-E474 HydrophobicContact CD2-CG 4.44Å; Y428-E474 HydrophobicContact CE2-CB 3.87Å; Y428-E474 HydrophobicContact CE2-CG 4.39Å; Y428-N478 WeakPolarHBondContact CE2-ND2 3.44Å
429	Y	78.6	Confident	80.7	Confident	20 Å²	20	38.9 Å²	38.9	8%	0.078	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-40.6	177.3	-119.1	-91.2	0	0	0	112.3	I397 N398 L400 S401 M403 I414 L417 H425 T426 S431 V432 S433	I397-Y429 HydrophobicContact CB-CE2 4.42Å; I397-Y429 HydrophobicContact CG2-CD2 3.47Å; I397-Y429 VanDerWaalsContact CG2-CD2 3.47Å; I397-Y429 HydrophobicContact CG2-CE2 3.08Å; I397-Y429 HydrophobicContact CG2-CG 4.44Å; I397-Y429 WeakPolarHBondContact O-CD1 3.49Å; I397-Y429 WeakPolarHBondContact O-CE1 3.35Å; N398-Y429 VanDerWaalsContact CA-OH 3.3Å; N398-Y429 WeakPolarHBondContact CA-OH 3.38Å; N398-Y429 PolarHBondContact OD1-OH 3.47Å; L400-Y429 HydrophobicContact CB-CD1 4.14Å; L400-Y429 HydrophobicContact CB-CG 4.42Å; S401-Y429 WeakPolarHBondContact O-CE2 3.26Å; M403-Y429 HydrophobicContact CE-CE1 4.05Å; M403-Y429 WeakPolarHBondContact CE-OH 2.97Å; I414-Y429 HydrophobicContact CG1-CE1 4.24Å; L417-Y429 HydrophobicContact CD1-CD1 3.93Å; L417-Y429 HydrophobicContact CD1-CE1 4.12Å; H425-Y429 VanDerWaalsContact O-CD2 3.25Å; H425-Y429 WeakPolarHBondContact O-CD2 3.02Å; H425-Y429 WeakPolarHBondContact O-CE2 3.32Å; T426-Y429 WeakPolarHBondContact O-CA 3.46Å; T426-Y429 VanDerWaalsContact O-CB 3.28Å; T426-Y429 WeakPolarHBondContact O-CB 3.49Å; T426-Y429 PolarHBondContact O-N 3.27Å; Y429-S431 VanDerWaalsContact C-N 3.32Å; Y429-S431 PolarHBondContact O-N 3Å; Y429-V432 PolarHBondContact O-N 3.16Å; Y429-S433 WeakPolarHBondContact O-CB 3.33Å; Y429-S433 PolarHBondContact O-N 2.97Å; Y429-S433 PolarHBondContact O-OG 3.06Å
430	V	85.3	Confident	80.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-44.2	175.6	-179.2	0	0	0	0	110.7	I414 L417 L418 T426 V427 Y428 V432 S433 I434 M453 I457	I414-V430 HydrophobicContact CG2-CB 4.24Å; I414-V430 HydrophobicContact CG2-CG1 4.09Å; I414-V430 HydrophobicContact CG2-CG2 3.77Å; L417-V430 HydrophobicContact CB-CG2 4.23Å; L418-V430 HydrophobicContact CD1-CG1 4Å; L418-V430 HydrophobicContact CD2-CB 3.97Å; L418-V430 HydrophobicContact CD2-CG1 3.84Å; L418-V430 HydrophobicContact CD2-CG2 3.84Å; L418-V430 HydrophobicContact CG-CB 4.39Å; L418-V430 HydrophobicContact CG-CG1 3.98Å; L418-V430 HydrophobicContact CG-CG2 4.09Å; T426-V430 WeakPolarHBondContact O-CG2 3.27Å; T426-V430 PolarHBondContact O-N 3.16Å; V427-V430 PolarHBondContact O-N 2.87Å; Y428-V430 VanDerWaalsContact C-N 3.3Å; Y428-V430 PolarHBondContact O-N 2.93Å; V430-V432 PolarHBondContact O-N 3.15Å; V430-S433 WeakPolarHBondContact O-CB 3.32Å; V430-S433 PolarHBondContact O-N 3.31Å; V430-S433 VanDerWaalsContact O-N 3.16Å; V430-I434 HydrophobicContact CG1-CD1 4.06Å; V430-I434 HydrophobicContact CG1-CG1 4.5Å; V430-I434 WeakPolarHBondContact O-CG1 3.38Å; V430-I434 PolarHBondContact O-N 2.8Å; V430-M453 HydrophobicContact CG1-CE 3.27Å; V430-I457 HydrophobicContact CG1-CD1 4.27Å
431	S	85	Confident	81.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-42.1	178.7	77.7	0	0	0	0	112.6	V427 Y428 Y429 S433 I434 K435 N478 I479	V427-S431 WeakPolarHBondContact O-CB 3.37Å; V427-S431 PolarHBondContact O-N 3.23Å; Y428-S431 WeakPolarHBondContact O-CB 3.35Å; Y428-S431 PolarHBondContact O-N 3.07Å; Y428-S431 VanDerWaalsContact O-N 3.14Å; Y428-S431 PolarHBondContact O-OG 3.15Å; Y429-S431 VanDerWaalsContact C-N 3.32Å; Y429-S431 PolarHBondContact O-N 3Å; S431-S433 VanDerWaalsContact C-N 3.34Å; S431-S433 PolarHBondContact O-N 3.14Å; S431-I434 PolarHBondContact O-N 2.82Å; S431-K435 PolarHBondContact O-N 2.79Å; S431-N478 PolarHBondContact OG-ND2 3.22Å; S431-I479 WeakPolarHBondContact O-CG2 3.48Å
432	V	82.1	Confident	81.5	Confident	14.5 Å²	14.5	38.6 Å²	38.6	9%	0.088	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-41	174	176.5	0	0	0	0	110.9	I402 Y428 Y429 V430 K435 L436 N478	I402-V432 HydrophobicContact CB-CG1 4.34Å; I402-V432 HydrophobicContact CD1-CG1 4.13Å; I402-V432 HydrophobicContact CG1-CG1 4.01Å; I402-V432 HydrophobicContact CG2-CG1 3.45Å; I402-V432 VanDerWaalsContact CG2-CG1 3.45Å; Y428-V432 HydrophobicContact CD1-CG2 4.36Å; Y428-V432 HydrophobicContact CE1-CG2 3.93Å; Y428-V432 HydrophobicContact CE2-CG2 4.26Å; Y428-V432 WeakPolarHBondContact O-CG2 2.96Å; Y428-V432 PolarHBondContact O-N 2.77Å; Y429-V432 PolarHBondContact O-N 3.16Å; V430-V432 PolarHBondContact O-N 3.15Å; V432-K435 WeakPolarHBondContact O-CB 3.4Å; V432-K435 PolarHBondContact O-N 2.86Å; V432-L436 HydrophobicContact CG1-CD1 3.82Å; V432-L436 HydrophobicContact CG1-CG 4.38Å; V432-L436 WeakPolarHBondContact O-CG 3.4Å; V432-L436 PolarHBondContact O-N 3.11Å; V432-N478 VanDerWaalsContact CG2-ND2 3.27Å; V432-N478 WeakPolarHBondContact CG2-ND2 3.39Å
433	S	85.6	Confident	81.9	Confident	3.5 Å²	3.5	41.5 Å²	41.5	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-41	179	-56.5	0	0	0	0	111.8	P406 Y429 V430 S431 L436 F437	P406-S433 WeakPolarHBondContact CG-O 3.39Å; Y429-S433 WeakPolarHBondContact O-CB 3.33Å; Y429-S433 PolarHBondContact O-N 2.97Å; Y429-S433 PolarHBondContact O-OG 3.06Å; V430-S433 WeakPolarHBondContact O-CB 3.32Å; V430-S433 PolarHBondContact O-N 3.31Å; V430-S433 VanDerWaalsContact O-N 3.16Å; S431-S433 VanDerWaalsContact C-N 3.34Å; S431-S433 PolarHBondContact O-N 3.14Å; S433-L436 PolarHBondContact O-N 3.07Å; S433-F437 VanDerWaalsContact O-CB 3.23Å; S433-F437 WeakPolarHBondContact O-CB 3.4Å; S433-F437 PolarHBondContact O-N 3.35Å
434	I	87.5	Confident	82.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-48.1	173.6	-67.5	165.7	0	0	0	110.5	M411 V430 S431 L436 F437 C438 I450 M453 V454 I457 I479 F482	M411-I434 HydrophobicContact CE-CB 4.48Å; M411-I434 HydrophobicContact CE-CG1 3.71Å; V430-I434 HydrophobicContact CG1-CD1 4.06Å; V430-I434 HydrophobicContact CG1-CG1 4.5Å; V430-I434 WeakPolarHBondContact O-CG1 3.38Å; V430-I434 PolarHBondContact O-N 2.8Å; S431-I434 PolarHBondContact O-N 2.82Å; I434-L436 PolarHBondContact O-N 2.82Å; I434-F437 WeakPolarHBondContact O-CB 2.81Å; I434-F437 PolarHBondContact O-N 3.16Å; I434-C438 WeakPolarHBondContact O-CB 3.25Å; I434-C438 PolarHBondContact O-N 3.06Å; I434-C438 PolarHBondContact O-SG 3.13Å; I434-C438 VanDerWaalsContact O-SG 3.36Å; I434-I450 HydrophobicContact CG2-CG2 4.09Å; I434-M453 HydrophobicContact CD1-CB 3.93Å; I434-M453 HydrophobicContact CD1-CE 4.39Å; I434-M453 HydrophobicContact CG1-CE 4.3Å; I434-V454 HydrophobicContact CD1-CG2 4.24Å; I434-V454 HydrophobicContact CG2-CG2 4.12Å; I434-I457 HydrophobicContact CD1-CD1 3.8Å; I434-I479 HydrophobicContact CB-CG2 3.88Å; I434-I479 HydrophobicContact CD1-CG2 4.28Å; I434-I479 HydrophobicContact CG2-CG2 3.75Å; I434-F482 HydrophobicContact CG2-CD2 4.31Å; I434-F482 HydrophobicContact CG2-CE2 4.19Å
435	K	86.1	Confident	82.9	Confident	44.5 Å²	44.5	38.6 Å²	38.6	19%	0.193	20%	0.202	C	C	.	.	H	α-helix	trans	-54.5	-53.8	178	-179.8	177.7	-179.8	167.3	0	111.6	S431 V432 F437 C438 E439 N478	S431-K435 PolarHBondContact O-N 2.79Å; V432-K435 WeakPolarHBondContact O-CB 3.4Å; V432-K435 PolarHBondContact O-N 2.86Å; K435-F437 VanDerWaalsContact C-N 3.33Å; K435-F437 PolarHBondContact O-N 3.13Å; K435-C438 PolarHBondContact O-N 3.07Å; K435-E439 VanDerWaalsContact CE-OE1 3.28Å; K435-E439 WeakPolarHBondContact CE-OE1 3.38Å; K435-E439 WeakPolarHBondContact CG-OE1 3.35Å; K435-E439 WeakPolarHBondContact O-CG 3.31Å; K435-E439 PolarHBondContact O-N 2.91Å; K435-N478 HydrophobicContact CB-CB 4.41Å; K435-N478 WeakPolarHBondContact CB-O 3.29Å; K435-N478 HydrophobicContact CD-CB 4.31Å; K435-N478 WeakPolarHBondContact CD-O 3.24Å; K435-N478 WeakPolarHBondContact CG-O 3.34Å
436	L	83	Confident	83.5	Confident	36 Å²	36	44 Å²	44	19%	0.188	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-34	-178.5	-67.2	170.9	0	0	0	112.7	I402 M403 P406 V432 S433 I434 N440	I402-L436 HydrophobicContact CG2-CD1 3.25Å; M403-L436 WeakPolarHBondContact O-CD1 3.23Å; P406-L436 HydrophobicContact CG-CB 4.35Å; V432-L436 HydrophobicContact CG1-CD1 3.82Å; V432-L436 HydrophobicContact CG1-CG 4.38Å; V432-L436 WeakPolarHBondContact O-CG 3.4Å; V432-L436 PolarHBondContact O-N 3.11Å; S433-L436 PolarHBondContact O-N 3.07Å; I434-L436 PolarHBondContact O-N 2.82Å; L436-N440 PolarHBondContact O-N 2.88Å; L436-N440 PolarHBondContact O-ND2 2.83Å
437	F	86.6	Confident	83.9	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-49	172.4	-176	-92.2	0	0	0	110.6	P406 I408 M411 S433 I434 K435 N440 H441 C444 I447 I450	P406-F437 HydrophobicContact CB-CD2 4.45Å; P406-F437 HydrophobicContact CG-CB 3.71Å; P406-F437 HydrophobicContact CG-CD2 4.24Å; P406-F437 HydrophobicContact CG-CG 4.49Å; P406-F437 VanDerWaalsContact O-CD2 3.26Å; P406-F437 WeakPolarHBondContact O-CD2 3.33Å; I408-F437 HydrophobicContact CG1-CE2 3.88Å; I408-F437 HydrophobicContact CG1-CZ 3.77Å; M411-F437 HydrophobicContact CG-CB 4.5Å; M411-F437 HydrophobicContact CG-CD2 3.78Å; M411-F437 HydrophobicContact CG-CE2 4.29Å; M411-F437 HydrophobicContact CG-CG 4.21Å; M411-F437 HydrophobicContact SD-CB 4.36Å; S433-F437 VanDerWaalsContact O-CB 3.23Å; S433-F437 WeakPolarHBondContact O-CB 3.4Å; S433-F437 PolarHBondContact O-N 3.35Å; I434-F437 WeakPolarHBondContact O-CB 2.81Å; I434-F437 PolarHBondContact O-N 3.16Å; K435-F437 VanDerWaalsContact C-N 3.33Å; K435-F437 PolarHBondContact O-N 3.13Å; F437-N440 PolarHBondContact O-N 3.21Å; F437-H441 HydrophobicContact CD1-CB 4.42Å; F437-H441 AromaticContact CD2-CD2 3.87Å; F437-H441 AromaticContact CD2-ND1 3.86Å; F437-H441 HydrophobicContact CE1-CB 4.09Å; F437-H441 AromaticContact CE1-CD2 3.67Å; F437-H441 AromaticContact CE1-ND1 3.93Å; F437-H441 AromaticContact CE2-CD2 3.48Å; F437-H441 VanDerWaalsContact CE2-CD2 3.48Å; F437-H441 WeakPolarHBondContact CE2-CD2 3.2Å; F437-H441 AromaticContact CE2-CE1 3.6Å; F437-H441 AromaticContact CE2-ND1 3.65Å; F437-H441 AromaticContact CE2-NE2 3.83Å; F437-H441 HydrophobicContact CZ-CB 4.44Å; F437-H441 AromaticContact CZ-CD2 3.36Å; F437-H441 WeakPolarHBondContact CZ-CD2 3.05Å; F437-H441 AromaticContact CZ-CE1 3.92Å; F437-H441 AromaticContact CZ-CG 3.97Å; F437-H441 AromaticContact CZ-ND1 3.69Å; F437-H441 AromaticContact CZ-NE2 3.95Å; F437-H441 WeakPolarHBondContact O-CB 3.15Å; F437-H441 PolarHBondContact O-CD2 2.91Å; F437-H441 PolarHBondContact O-N 2.98Å; F437-H441 VanDerWaalsContact O-N 3.09Å; F437-H441 PolarHBondContact O-ND1 2.86Å; F437-C444 HydrophobicContact CD1-CB 3.83Å; F437-C444 HydrophobicContact CE1-CB 3.86Å; F437-I447 HydrophobicContact CE1-CD1 3.64Å; F437-I447 HydrophobicContact CZ-CD1 3.63Å; F437-I450 HydrophobicContact CD1-CD1 3.77Å; F437-I450 HydrophobicContact CD1-CG1 3.86Å; F437-I450 HydrophobicContact CE1-CD1 4.11Å; F437-I450 HydrophobicContact CE1-CG1 3.81Å; F437-I450 HydrophobicContact CG-CD1 4.17Å
438	C	87.3	Confident	84.3	Confident	8.5 Å²	8.5	52.5 Å²	52.5	6%	0.057	27%	0.265	C	S	.	.	H	α-helix	trans	-70.6	-32.9	-177.6	-72.6	0	0	0	0	114.2	I434 K435 N440 H441 C444 F482	I434-C438 WeakPolarHBondContact O-CB 3.25Å; I434-C438 PolarHBondContact O-N 3.06Å; I434-C438 PolarHBondContact O-SG 3.13Å; I434-C438 VanDerWaalsContact O-SG 3.36Å; K435-C438 PolarHBondContact O-N 3.07Å; C438-N440 PolarHBondContact O-N 3.23Å; C438-H441 CarbonylContact O-C 3.55Å; C438-H441 VanDerWaalsContact O-C 3.25Å; C438-H441 PolarHBondContact O-N 2.9Å; C438-H441 VanDerWaalsContact O-N 3.09Å; C438-H441 VanDerWaalsContact O-O 3.07Å; C438-C444 VanDerWaalsContact CA-SG 3.58Å; C438-C444 HydrophobicContact CB-CB 3.8Å; C438-C444 WeakPolarHBondContact CB-SG 3.1Å; C438-C444 WeakPolarHBondContact SG-CB 3.46Å; C438-C444 CovalentContact SG-SG 2.03Å; C438-C444 PolarHBondContact SG-SG 3.26Å; C438-F482 HydrophobicContact CB-CE1 3.96Å; C438-F482 HydrophobicContact CB-CE2 3.79Å; C438-F482 HydrophobicContact CB-CZ 3.2Å; C438-F482 VanDerWaalsContact SG-CZ 3.54Å; C438-F482 WeakPolarHBondContact SG-CZ 3.48Å
439	E	81.6	Confident	84.8	Confident	116.5 Å²	116.5	50.7 Å²	50.7	54%	0.544	26%	0.26	S	S	.	.	H	α-helix	trans	-60.3	-31.3	171.9	-76.6	174.7	-175.8	0	0	112	K435	K435-E439 VanDerWaalsContact CE-OE1 3.28Å; K435-E439 WeakPolarHBondContact CE-OE1 3.38Å; K435-E439 WeakPolarHBondContact CG-OE1 3.35Å; K435-E439 WeakPolarHBondContact O-CG 3.31Å; K435-E439 PolarHBondContact O-N 2.91Å
440	N	78	Confident	85.3	Confident	79.5 Å²	79.5	49.8 Å²	49.8	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-90.3	-15.7	175.9	-67	-59.4	0	0	0	113.5	L436 F437 C438	L436-N440 PolarHBondContact O-N 2.88Å; L436-N440 PolarHBondContact O-ND2 2.83Å; F437-N440 PolarHBondContact O-N 3.21Å; C438-N440 PolarHBondContact O-N 3.23Å
441	H	83.8	Confident	85.5	Confident	79.5 Å²	79.5	53.9 Å²	53.9	37%	0.368	28%	0.276	S	S	.	.			trans	-130.5	92.1	-177	-63	12.6	0	0	0	110.4	F437 C438 S443 C444	F437-H441 HydrophobicContact CD1-CB 4.42Å; F437-H441 AromaticContact CD2-CD2 3.87Å; F437-H441 AromaticContact CD2-ND1 3.86Å; F437-H441 HydrophobicContact CE1-CB 4.09Å; F437-H441 AromaticContact CE1-CD2 3.67Å; F437-H441 AromaticContact CE1-ND1 3.93Å; F437-H441 AromaticContact CE2-CD2 3.48Å; F437-H441 VanDerWaalsContact CE2-CD2 3.48Å; F437-H441 WeakPolarHBondContact CE2-CD2 3.2Å; F437-H441 AromaticContact CE2-CE1 3.6Å; F437-H441 AromaticContact CE2-ND1 3.65Å; F437-H441 AromaticContact CE2-NE2 3.83Å; F437-H441 HydrophobicContact CZ-CB 4.44Å; F437-H441 AromaticContact CZ-CD2 3.36Å; F437-H441 WeakPolarHBondContact CZ-CD2 3.05Å; F437-H441 AromaticContact CZ-CE1 3.92Å; F437-H441 AromaticContact CZ-CG 3.97Å; F437-H441 AromaticContact CZ-ND1 3.69Å; F437-H441 AromaticContact CZ-NE2 3.95Å; F437-H441 WeakPolarHBondContact O-CB 3.15Å; F437-H441 PolarHBondContact O-CD2 2.91Å; F437-H441 PolarHBondContact O-N 2.98Å; F437-H441 VanDerWaalsContact O-N 3.09Å; F437-H441 PolarHBondContact O-ND1 2.86Å; C438-H441 CarbonylContact O-C 3.55Å; C438-H441 VanDerWaalsContact O-C 3.25Å; C438-H441 PolarHBondContact O-N 2.9Å; C438-H441 VanDerWaalsContact O-N 3.09Å; C438-H441 VanDerWaalsContact O-O 3.07Å; H441-S443 PolarHBondContact O-N 3.08Å; H441-C444 HydrophobicContact CB-CB 4.2Å; H441-C444 VanDerWaalsContact O-CB 3.25Å; H441-C444 WeakPolarHBondContact O-CB 3.47Å; H441-C444 PolarHBondContact O-N 3.36Å
442	P	77.9	Confident	85.6	Confident	132 Å²	132	56.6 Å²	56.6	86%	0.857	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.5	-174.3	-2.8	0.9	0	0	0	114.6
443	S	83.9	Confident	86	Confident	68 Å²	68	55.9 Å²	55.9	48%	0.476	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	27.5	174.4	-65.6	0	0	0	0	113.4	H441 M445 K446	H441-S443 PolarHBondContact O-N 3.08Å; S443-M445 VanDerWaalsContact C-N 3.26Å; S443-M445 PolarHBondContact O-N 2.98Å; S443-M445 VanDerWaalsContact O-N 3.1Å; S443-K446 WeakPolarHBondContact O-CB 3.38Å; S443-K446 PolarHBondContact O-N 2.87Å; S443-K446 VanDerWaalsContact O-N 3.08Å
444	C	87.6	Confident	86.1	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.027	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-56.6	-33.4	-173.8	69.5	0	0	0	0	113.9	F437 C438 H441 K446 I447	F437-C444 HydrophobicContact CD1-CB 3.83Å; F437-C444 HydrophobicContact CE1-CB 3.86Å; C438-C444 VanDerWaalsContact CA-SG 3.58Å; C438-C444 HydrophobicContact CB-CB 3.8Å; C438-C444 WeakPolarHBondContact CB-SG 3.1Å; C438-C444 WeakPolarHBondContact SG-CB 3.46Å; C438-C444 CovalentContact SG-SG 2.03Å; C438-C444 PolarHBondContact SG-SG 3.26Å; H441-C444 HydrophobicContact CB-CB 4.2Å; H441-C444 VanDerWaalsContact O-CB 3.25Å; H441-C444 WeakPolarHBondContact O-CB 3.47Å; H441-C444 PolarHBondContact O-N 3.36Å; C444-K446 PolarHBondContact O-N 3Å; C444-I447 VanDerWaalsContact O-CB 3.29Å; C444-I447 WeakPolarHBondContact O-CB 3.27Å; C444-I447 WeakPolarHBondContact O-CG1 3.42Å; C444-I447 PolarHBondContact O-N 3.13Å
445	M	85.4	Confident	86	Confident	61.5 Å²	61.5	58.4 Å²	58.4	30%	0.303	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-67.4	-16.3	-179.6	-77	-61.8	-119.8	0	0	114.2	S443 I447 I450 V454 F482	S443-M445 VanDerWaalsContact C-N 3.26Å; S443-M445 PolarHBondContact O-N 2.98Å; S443-M445 VanDerWaalsContact O-N 3.1Å; M445-I447 VanDerWaalsContact C-N 3.27Å; M445-I447 PolarHBondContact O-N 2.72Å; M445-I450 HydrophobicContact SD-CG2 4.28Å; M445-V454 HydrophobicContact CE-CB 4.41Å; M445-V454 HydrophobicContact CE-CG1 4.16Å; M445-V454 HydrophobicContact CE-CG2 4.25Å; M445-V454 HydrophobicContact SD-CG2 4.12Å; M445-F482 HydrophobicContact CE-CB 3.58Å; M445-F482 HydrophobicContact CE-CD1 3.71Å; M445-F482 HydrophobicContact CE-CG 3.66Å; M445-F482 VanDerWaalsContact CE-O 3.26Å; M445-F482 WeakPolarHBondContact CE-O 3.29Å; M445-F482 HydrophobicContact CG-CB 4.46Å; M445-F482 HydrophobicContact CG-CD1 3.97Å; M445-F482 HydrophobicContact CG-CE1 4.41Å; M445-F482 HydrophobicContact CG-CG 4.34Å; M445-F482 HydrophobicContact SD-CB 3.85Å; M445-F482 HydrophobicContact SD-CD1 4Å; M445-F482 HydrophobicContact SD-CG 3.99Å
446	K	86.7	Confident	86	Confident	180.5 Å²	180.5	59.1 Å²	59.1	79%	0.785	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-74.6	-15.9	171.3	-63.1	-176.2	-178.2	172.4	0	112.3	S443 C444 Q448	S443-K446 WeakPolarHBondContact O-CB 3.38Å; S443-K446 PolarHBondContact O-N 2.87Å; S443-K446 VanDerWaalsContact O-N 3.08Å; C444-K446 PolarHBondContact O-N 3Å; K446-Q448 PolarHBondContact O-N 3.17Å
447	I	89.5	Confident	86	Confident	46 Å²	46	57.5 Å²	57.5	24%	0.236	29%	0.294	C	S	.	.	S	Bend	trans	-82.7	115.8	179.9	-58	176	0	0	0	108.4	I408 F437 C444 M445 I449 I450 H451	I408-I447 HydrophobicContact CD1-CD1 4.29Å; I408-I447 HydrophobicContact CG1-CD1 4.44Å; F437-I447 HydrophobicContact CE1-CD1 3.64Å; F437-I447 HydrophobicContact CZ-CD1 3.63Å; C444-I447 VanDerWaalsContact O-CB 3.29Å; C444-I447 WeakPolarHBondContact O-CB 3.27Å; C444-I447 WeakPolarHBondContact O-CG1 3.42Å; C444-I447 PolarHBondContact O-N 3.13Å; M445-I447 VanDerWaalsContact C-N 3.27Å; M445-I447 PolarHBondContact O-N 2.72Å; I447-I449 VanDerWaalsContact C-N 3.28Å; I447-I449 HydrophobicContact CG2-CB 4.44Å; I447-I449 PolarHBondContact O-N 2.92Å; I447-I449 VanDerWaalsContact O-N 3.13Å; I447-I450 HydrophobicContact CB-CG1 4.22Å; I447-I450 HydrophobicContact CG2-CG1 4.28Å; I447-I450 PolarHBondContact O-N 3.26Å; I447-H451 PolarHBondContact O-N 2.84Å; I447-H451 VanDerWaalsContact O-N 3.09Å
448	Q	89.3	Confident	85.7	Confident	137 Å²	137	59 Å²	59	64%	0.64	30%	0.301	S	S	*	.	H	α-helix	trans	-51.2	-42.1	-174.5	-179	177.5	-11.2	0	0	113.4	K446 I450 H451 E452	K446-Q448 PolarHBondContact O-N 3.17Å; Q448-I450 PolarHBondContact O-N 3.13Å; Q448-H451 PolarHBondContact O-N 2.79Å; Q448-E452 HydrophobicContact CG-CG 4.31Å; Q448-E452 VanDerWaalsContact CG-OE1 3.3Å; Q448-E452 WeakPolarHBondContact CG-OE1 3.49Å; Q448-E452 PolarHBondContact NE2-OE1 3.22Å; Q448-E452 WeakPolarHBondContact O-CB 3.44Å; Q448-E452 VanDerWaalsContact O-CG 3.28Å; Q448-E452 WeakPolarHBondContact O-CG 3.34Å; Q448-E452 PolarHBondContact O-N 2.94Å
449	I	89.8	Confident	85.4	Confident	31.5 Å²	31.5	64.5 Å²	64.5	16%	0.162	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-45.8	180	-65.3	154.9	0	0	0	111.4	I408 K412 K415 I447 E452 M453	I408-I449 HydrophobicContact CG2-CD1 4.06Å; K412-I449 HydrophobicContact CD-CD1 4.2Å; K412-I449 HydrophobicContact CG-CD1 3.52Å; K412-I449 VanDerWaalsContact CG-CD1 3.46Å; K412-I449 HydrophobicContact CG-CG1 4.34Å; K415-I449 HydrophobicContact CD-CG2 4.34Å; I447-I449 VanDerWaalsContact C-N 3.28Å; I447-I449 HydrophobicContact CG2-CB 4.44Å; I447-I449 PolarHBondContact O-N 2.92Å; I447-I449 VanDerWaalsContact O-N 3.13Å; I449-E452 PolarHBondContact O-N 2.81Å; I449-M453 HydrophobicContact CG2-SD 3.83Å; I449-M453 WeakPolarHBondContact O-CG 3.4Å; I449-M453 PolarHBondContact O-N 3.04Å
450	I	89.5	Confident	85.1	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-45.2	-179.9	-59.1	-59.4	0	0	0	110	M411 I434 F437 M445 I447 Q448 E452 M453 V454	M411-I450 HydrophobicContact CB-CD1 4.24Å; M411-I450 HydrophobicContact CE-CD1 3.43Å; M411-I450 VanDerWaalsContact CE-CD1 3.43Å; M411-I450 HydrophobicContact CG-CD1 4.03Å; M411-I450 HydrophobicContact SD-CD1 4.49Å; I434-I450 HydrophobicContact CG2-CG2 4.09Å; F437-I450 HydrophobicContact CD1-CD1 3.77Å; F437-I450 HydrophobicContact CD1-CG1 3.86Å; F437-I450 HydrophobicContact CE1-CD1 4.11Å; F437-I450 HydrophobicContact CE1-CG1 3.81Å; F437-I450 HydrophobicContact CG-CD1 4.17Å; M445-I450 HydrophobicContact SD-CG2 4.28Å; I447-I450 HydrophobicContact CB-CG1 4.22Å; I447-I450 HydrophobicContact CG2-CG1 4.28Å; I447-I450 PolarHBondContact O-N 3.26Å; Q448-I450 PolarHBondContact O-N 3.13Å; I450-E452 VanDerWaalsContact C-N 3.33Å; I450-E452 PolarHBondContact O-N 3.19Å; I450-M453 PolarHBondContact O-N 2.87Å; I450-V454 HydrophobicContact CG2-CG2 4.38Å; I450-V454 WeakPolarHBondContact O-CG2 3.43Å; I450-V454 PolarHBondContact O-N 3.17Å
451	H	88.7	Confident	84.7	Confident	87 Å²	87	57.9 Å²	57.9	40%	0.403	30%	0.302	S	S	.	.	H	α-helix	trans	-58.8	-43.3	176.3	179.1	-97.3	0	0	0	112	I447 Q448 V454 N455	I447-H451 PolarHBondContact O-N 2.84Å; I447-H451 VanDerWaalsContact O-N 3.09Å; Q448-H451 PolarHBondContact O-N 2.79Å; H451-V454 PolarHBondContact O-N 2.97Å; H451-N455 PolarHBondContact CE1-ND2 2.83Å; H451-N455 PolarHBondContact ND1-ND2 3.1Å; H451-N455 WeakPolarHBondContact O-CB 3.34Å; H451-N455 PolarHBondContact O-N 3.3Å; H451-N455 PolarHBondContact O-ND2 2.95Å
452	E	88.8	Confident	83.7	Confident	57 Å²	57	58.4 Å²	58.4	27%	0.266	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-43.3	174.7	-74.6	172.1	-176.1	0	0	112.4	K415 Q448 I449 I450 N455 I456	K415-E452 IonicContact NZ-OE2 2.73Å; K415-E452 PolarHBondContact NZ-OE2 2.98Å; Q448-E452 HydrophobicContact CG-CG 4.31Å; Q448-E452 VanDerWaalsContact CG-OE1 3.3Å; Q448-E452 WeakPolarHBondContact CG-OE1 3.49Å; Q448-E452 PolarHBondContact NE2-OE1 3.22Å; Q448-E452 WeakPolarHBondContact O-CB 3.44Å; Q448-E452 VanDerWaalsContact O-CG 3.28Å; Q448-E452 WeakPolarHBondContact O-CG 3.34Å; Q448-E452 PolarHBondContact O-N 2.94Å; I449-E452 PolarHBondContact O-N 2.81Å; I450-E452 VanDerWaalsContact C-N 3.33Å; I450-E452 PolarHBondContact O-N 3.19Å; E452-N455 PolarHBondContact O-N 2.89Å; E452-I456 VanDerWaalsContact O-CG1 3.24Å; E452-I456 WeakPolarHBondContact O-CG1 3.43Å; E452-I456 PolarHBondContact O-N 3.08Å
453	M	89.6	Confident	82.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-44.3	177.5	-68.6	168.6	76.2	0	0	111.6	M411 I414 K415 L418 V430 I434 I449 I450 N455 I456 I457	M411-M453 HydrophobicContact CE-CE 3.69Å; M411-M453 HydrophobicContact CE-SD 3.96Å; I414-M453 HydrophobicContact CB-CE 4.43Å; I414-M453 HydrophobicContact CG2-CE 3.92Å; K415-M453 HydrophobicContact CB-CE 4.25Å; K415-M453 HydrophobicContact CB-CG 4.02Å; K415-M453 HydrophobicContact CB-SD 3.9Å; K415-M453 HydrophobicContact CD-CG 4.21Å; K415-M453 HydrophobicContact CG-CG 3.84Å; K415-M453 HydrophobicContact CG-SD 4.38Å; L418-M453 HydrophobicContact CD1-CB 3.91Å; L418-M453 HydrophobicContact CD1-CE 4.23Å; L418-M453 HydrophobicContact CD1-CG 3.87Å; V430-M453 HydrophobicContact CG1-CE 3.27Å; I434-M453 HydrophobicContact CD1-CB 3.93Å; I434-M453 HydrophobicContact CD1-CE 4.39Å; I434-M453 HydrophobicContact CG1-CE 4.3Å; I449-M453 HydrophobicContact CG2-SD 3.83Å; I449-M453 WeakPolarHBondContact O-CG 3.4Å; I449-M453 PolarHBondContact O-N 3.04Å; I450-M453 PolarHBondContact O-N 2.87Å; M453-N455 VanDerWaalsContact C-N 3.33Å; M453-N455 PolarHBondContact O-N 3.36Å; M453-I456 PolarHBondContact O-N 3.19Å; M453-I457 VanDerWaalsContact O-CG1 3.28Å; M453-I457 WeakPolarHBondContact O-CG1 3.23Å; M453-I457 PolarHBondContact O-N 3.35Å
454	V	87.4	Confident	81.3	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-43.1	174.8	173.6	0	0	0	0	110.4	I434 M445 I450 H451 I457 E458 F482 L483	I434-V454 HydrophobicContact CD1-CG2 4.24Å; I434-V454 HydrophobicContact CG2-CG2 4.12Å; M445-V454 HydrophobicContact CE-CB 4.41Å; M445-V454 HydrophobicContact CE-CG1 4.16Å; M445-V454 HydrophobicContact CE-CG2 4.25Å; M445-V454 HydrophobicContact SD-CG2 4.12Å; I450-V454 HydrophobicContact CG2-CG2 4.38Å; I450-V454 WeakPolarHBondContact O-CG2 3.43Å; I450-V454 PolarHBondContact O-N 3.17Å; H451-V454 PolarHBondContact O-N 2.97Å; V454-I457 PolarHBondContact O-N 3.03Å; V454-E458 VanDerWaalsContact O-CB 3.28Å; V454-E458 WeakPolarHBondContact O-CB 3.47Å; V454-E458 PolarHBondContact O-N 3.12Å; V454-F482 HydrophobicContact CG1-CB 4.36Å; V454-L483 HydrophobicContact CG1-CD2 4Å
455	N	86.1	Confident	79.7	Confident	52.5 Å²	52.5	63.8 Å²	63.8	28%	0.281	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-39.8	177.5	-73.4	-11.4	0	0	0	113.1	H451 E452 M453 I457 E458 N459	H451-N455 PolarHBondContact CE1-ND2 2.83Å; H451-N455 PolarHBondContact ND1-ND2 3.1Å; H451-N455 WeakPolarHBondContact O-CB 3.34Å; H451-N455 PolarHBondContact O-N 3.3Å; H451-N455 PolarHBondContact O-ND2 2.95Å; E452-N455 PolarHBondContact O-N 2.89Å; M453-N455 VanDerWaalsContact C-N 3.33Å; M453-N455 PolarHBondContact O-N 3.36Å; N455-I457 VanDerWaalsContact C-N 3.31Å; N455-I457 PolarHBondContact O-N 3.06Å; N455-E458 PolarHBondContact O-N 3.23Å; N455-N459 VanDerWaalsContact O-CB 3.26Å; N455-N459 WeakPolarHBondContact O-CB 3.39Å; N455-N459 PolarHBondContact O-N 3.07Å; N455-N459 PolarHBondContact O-ND2 2.8Å; N455-N459 VanDerWaalsContact O-ND2 3.16Å
456	I	84.9	Confident	78	Confident	61 Å²	61	65 Å²	65	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-46.4	174.5	-70.6	162.4	0	0	0	109.8	L418 E452 M453 S460	L418-I456 HydrophobicContact CB-CG2 4.24Å; L418-I456 HydrophobicContact CD1-CB 4.34Å; L418-I456 HydrophobicContact CD1-CD1 4.26Å; L418-I456 HydrophobicContact CD1-CG2 4.2Å; E452-I456 VanDerWaalsContact O-CG1 3.24Å; E452-I456 WeakPolarHBondContact O-CG1 3.43Å; E452-I456 PolarHBondContact O-N 3.08Å; M453-I456 PolarHBondContact O-N 3.19Å; I456-S460 WeakPolarHBondContact O-CB 3.45Å; I456-S460 PolarHBondContact O-N 2.92Å; I456-S460 VanDerWaalsContact O-N 3.16Å; I456-S460 PolarHBondContact O-OG 2.94Å
457	I	84.5	Confident	76	Confident	0.5 Å²	0.5	64.2 Å²	64.2	0%	0.003	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-49.8	178.4	-65.8	168.9	0	0	0	110.1	L418 V427 V430 I434 M453 V454 N455 N459 S460 V461 I475 I479	L418-I457 HydrophobicContact CD2-CD1 4.34Å; L418-I457 HydrophobicContact CD2-CG1 4.15Å; V427-I457 HydrophobicContact CG2-CD1 4.29Å; V427-I457 HydrophobicContact CG2-CG1 4.09Å; V427-I457 HydrophobicContact CG2-CG2 4.46Å; V430-I457 HydrophobicContact CG1-CD1 4.27Å; I434-I457 HydrophobicContact CD1-CD1 3.8Å; M453-I457 VanDerWaalsContact O-CG1 3.28Å; M453-I457 WeakPolarHBondContact O-CG1 3.23Å; M453-I457 PolarHBondContact O-N 3.35Å; V454-I457 PolarHBondContact O-N 3.03Å; N455-I457 VanDerWaalsContact C-N 3.31Å; N455-I457 PolarHBondContact O-N 3.06Å; I457-N459 VanDerWaalsContact C-N 3.3Å; I457-N459 PolarHBondContact O-N 3.15Å; I457-S460 WeakPolarHBondContact CA-OG 3.31Å; I457-S460 WeakPolarHBondContact O-CB 3.25Å; I457-S460 PolarHBondContact O-N 2.98Å; I457-S460 VanDerWaalsContact O-N 3.16Å; I457-S460 PolarHBondContact O-OG 3.4Å; I457-V461 WeakPolarHBondContact O-CG2 3.38Å; I457-V461 PolarHBondContact O-N 2.89Å; I457-V461 VanDerWaalsContact O-N 3.12Å; I457-I475 HydrophobicContact CG2-CG2 3.34Å; I457-I479 HydrophobicContact CB-CD1 4.05Å; I457-I479 HydrophobicContact CD1-CD1 4.08Å; I457-I479 HydrophobicContact CG2-CD1 3.57Å; I457-I479 VanDerWaalsContact CG2-CD1 3.48Å
458	E	80.2	Confident	74.3	Confident	32.5 Å²	32.5	66.5 Å²	66.5	15%	0.152	34%	0.336	C	S	.	.	H	α-helix	trans	-58.8	-40.6	-179.2	-174.2	170.3	-160.9	0	0	112	V454 N455 S460 V461 L483 S484 K487	V454-E458 VanDerWaalsContact O-CB 3.28Å; V454-E458 WeakPolarHBondContact O-CB 3.47Å; V454-E458 PolarHBondContact O-N 3.12Å; N455-E458 PolarHBondContact O-N 3.23Å; E458-S460 VanDerWaalsContact C-N 3.3Å; E458-S460 PolarHBondContact O-N 3.47Å; E458-V461 PolarHBondContact O-N 2.82Å; E458-L483 HydrophobicContact CB-CD2 3.77Å; E458-L483 HydrophobicContact CG-CD2 3.99Å; E458-S484 PolarHBondContact OE1-OG 3.23Å; E458-K487 HydrophobicContact CG-CD 3.99Å; E458-K487 WeakPolarHBondContact O-CE 3.39Å; E458-K487 PolarHBondContact O-NZ 2.98Å; E458-K487 WeakPolarHBondContact OE1-CD 3.5Å
459	N	79.6	Confident	73	Confident	126 Å²	126	60.7 Å²	60.7	67%	0.674	31%	0.311	S	S	*	.	H	α-helix	trans	-72.4	-25.8	178.7	-72.1	-23.2	0	0	0	113.4	N455 I457 V461	N455-N459 VanDerWaalsContact O-CB 3.26Å; N455-N459 WeakPolarHBondContact O-CB 3.39Å; N455-N459 PolarHBondContact O-N 3.07Å; N455-N459 PolarHBondContact O-ND2 2.8Å; N455-N459 VanDerWaalsContact O-ND2 3.16Å; I457-N459 VanDerWaalsContact C-N 3.3Å; I457-N459 PolarHBondContact O-N 3.15Å; N459-V461 VanDerWaalsContact C-N 3.28Å
460	S	75.1	Confident	71.7	Confident	44 Å²	44	61.1 Å²	61.1	31%	0.308	31%	0.313	S	S	.	.	H	α-helix	trans	-85.7	-11	177.9	65.4	0	0	0	0	113.7	Y423 I456 I457 E458 D462	Y423-S460 VanDerWaalsContact OH-CB 3.24Å; Y423-S460 WeakPolarHBondContact OH-CB 3.47Å; Y423-S460 PolarHBondContact OH-OG 3.19Å; I456-S460 WeakPolarHBondContact O-CB 3.45Å; I456-S460 PolarHBondContact O-N 2.92Å; I456-S460 VanDerWaalsContact O-N 3.16Å; I456-S460 PolarHBondContact O-OG 2.94Å; I457-S460 WeakPolarHBondContact CA-OG 3.31Å; I457-S460 WeakPolarHBondContact O-CB 3.25Å; I457-S460 PolarHBondContact O-N 2.98Å; I457-S460 VanDerWaalsContact O-N 3.16Å; I457-S460 PolarHBondContact O-OG 3.4Å; E458-S460 VanDerWaalsContact C-N 3.3Å; E458-S460 PolarHBondContact O-N 3.47Å; S460-D462 VanDerWaalsContact C-N 3.3Å; S460-D462 PolarHBondContact O-N 3.23Å
461	V	69.8	Low	70.5	Confident	12.5 Å²	12.5	65.6 Å²	65.6	8%	0.076	33%	0.333	C	S	.	.			trans	-71.4	88.2	170.6	176	0	0	0	0	108.8	I457 E458 N459 L463 T472 I491	I457-V461 WeakPolarHBondContact O-CG2 3.38Å; I457-V461 PolarHBondContact O-N 2.89Å; I457-V461 VanDerWaalsContact O-N 3.12Å; E458-V461 PolarHBondContact O-N 2.82Å; N459-V461 VanDerWaalsContact C-N 3.28Å; V461-L463 HydrophobicContact CG1-CD2 4.3Å; V461-T472 HydrophobicContact CB-CG2 4.25Å; V461-T472 HydrophobicContact CG1-CG2 3.61Å; V461-T472 HydrophobicContact CG2-CG2 3.82Å; V461-I491 HydrophobicContact CG1-CD1 3.89Å; V461-I491 HydrophobicContact CG1-CG1 4.5Å
462	D	64.3	Low	69.6	Low	90.5 Å²	90.5	62.5 Å²	62.5	48%	0.484	32%	0.32	S	S	.	.			trans	-79.7	123	169.1	-127.9	-19	0	0	0	110	S460 Q464	S460-D462 VanDerWaalsContact C-N 3.3Å; S460-D462 PolarHBondContact O-N 3.23Å; D462-Q464 PolarHBondContact O-N 2.77Å; D462-Q464 WeakPolarHBondContact OD1-CB 2.94Å; D462-Q464 PolarHBondContact OD1-N 2.93Å
463	L	55	Low	68.8	Low	74.5 Å²	74.5	59.9 Å²	59.9	39%	0.39	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.7	-179.5	-69.2	169.4	0	0	0	112.9	V461 I491 K494	V461-L463 HydrophobicContact CG1-CD2 4.3Å; L463-I491 HydrophobicContact CD2-CB 4.4Å; L463-I491 HydrophobicContact CD2-CD1 4.23Å; L463-I491 HydrophobicContact CD2-CG1 3.37Å; L463-I491 VanDerWaalsContact CD2-CG1 3.4Å; L463-K494 HydrophobicContact CB-CD 4.38Å; L463-K494 WeakPolarHBondContact O-CD 3.13Å; L463-K494 WeakPolarHBondContact O-CE 3.19Å; L463-K494 PolarHBondContact O-NZ 3.01Å
464	Q	54.8	Low	68	Low	167 Å²	167	62.3 Å²	62.3	78%	0.78	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-17.3	-166.7	-67.4	-173.1	-10.6	0	0	115.7	D462	D462-Q464 PolarHBondContact O-N 2.77Å; D462-Q464 WeakPolarHBondContact OD1-CB 2.94Å; D462-Q464 PolarHBondContact OD1-N 2.93Å
465	D	55.8	Low	67.4	Low	76 Å²	76	62.5 Å²	62.5	41%	0.406	32%	0.32	S	S	.	.			trans	-104.4	110.1	-168.7	-123.3	-12.8	0	0	0	114	I467 K468 S469	D465-I467 PolarHBondContact O-N 3.45Å; D465-I467 VanDerWaalsContact O-N 3.09Å; D465-K468 HydrophobicContact CB-CB 4.03Å; D465-K468 HydrophobicContact CB-CD 4.08Å; D465-K468 HydrophobicContact CB-CG 4.2Å; D465-K468 PolarHBondContact O-N 2.96Å; D465-K468 VanDerWaalsContact OD2-CD 3.27Å; D465-K468 WeakPolarHBondContact OD2-CD 3.36Å; D465-K468 VanDerWaalsContact OD2-CE 3.26Å; D465-K468 WeakPolarHBondContact OD2-CE 3.37Å; D465-K468 WeakPolarHBondContact OD2-CG 3.47Å; D465-K468 IonicContact OD2-NZ 3.89Å; D465-K468 PolarHBondContact OD2-NZ 3.48Å; D465-S469 PolarHBondContact O-N 3.48Å
466	N	48.9	Very low	67	Low	86.5 Å²	86.5	60.1 Å²	60.1	46%	0.463	31%	0.307	S	S	.	.	H	α-helix	trans	-66	-24.2	-173.9	-82	-10	0	0	0	115.3	S469 N501	N466-S469 VanDerWaalsContact O-CB 3.26Å; N466-S469 WeakPolarHBondContact O-CB 2.92Å; N466-S469 PolarHBondContact O-N 3.05Å; N466-S469 VanDerWaalsContact O-N 3.13Å; N466-S469 PolarHBondContact O-OG 2.85Å; N466-N501 VanDerWaalsContact CG-OD1 3.25Å; N466-N501 PolarHBondContact ND2-OD1 3.12Å; N466-N501 VanDerWaalsContact ND2-OD1 3.14Å; N466-N501 PolarHBondContact OD1-ND2 2.77Å; N466-N501 PolarHBondContact OD1-OD1 2.93Å
467	I	45.5	Very low	66.6	Low	163.5 Å²	163.5	59.3 Å²	59.3	84%	0.838	30%	0.302	S	S	*	.	H	α-helix	trans	-87	-19.1	179.4	-66.2	173.3	0	0	0	111.6	D465 S469	D465-I467 PolarHBondContact O-N 3.45Å; D465-I467 VanDerWaalsContact O-N 3.09Å; I467-S469 PolarHBondContact O-N 2.85Å
468	K	53.9	Low	66.5	Low	93 Å²	93	59.8 Å²	59.8	40%	0.404	31%	0.305	S	S	.	.	H	α-helix	trans	-82	-12.1	172.3	-73.7	-176.4	-177.2	145.7	0	113	D465 L470 T472	D465-K468 HydrophobicContact CB-CB 4.03Å; D465-K468 HydrophobicContact CB-CD 4.08Å; D465-K468 HydrophobicContact CB-CG 4.2Å; D465-K468 PolarHBondContact O-N 2.96Å; D465-K468 VanDerWaalsContact OD2-CD 3.27Å; D465-K468 WeakPolarHBondContact OD2-CD 3.36Å; D465-K468 VanDerWaalsContact OD2-CE 3.26Å; D465-K468 WeakPolarHBondContact OD2-CE 3.37Å; D465-K468 WeakPolarHBondContact OD2-CG 3.47Å; D465-K468 IonicContact OD2-NZ 3.89Å; D465-K468 PolarHBondContact OD2-NZ 3.48Å; K468-L470 PolarHBondContact O-N 2.92Å; K468-T472 WeakPolarHBondContact O-CB 3.42Å; K468-T472 PolarHBondContact O-N 2.87Å; K468-T472 VanDerWaalsContact O-N 3.13Å; K468-T472 PolarHBondContact O-OG1 2.93Å
469	S	61.5	Low	66.6	Low	16.5 Å²	16.5	58.3 Å²	58.3	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-66.8	-41.3	-169	67.3	0	0	0	0	114.3	D465 N466 I467 T472 L473 L506	D465-S469 PolarHBondContact O-N 3.48Å; N466-S469 VanDerWaalsContact O-CB 3.26Å; N466-S469 WeakPolarHBondContact O-CB 2.92Å; N466-S469 PolarHBondContact O-N 3.05Å; N466-S469 VanDerWaalsContact O-N 3.13Å; N466-S469 PolarHBondContact O-OG 2.85Å; I467-S469 PolarHBondContact O-N 2.85Å; S469-T472 CarbonylContact O-C 3.55Å; S469-T472 WeakPolarHBondContact O-CB 3.28Å; S469-T472 PolarHBondContact O-N 3.27Å; S469-L473 VanDerWaalsContact O-CB 3.24Å; S469-L473 WeakPolarHBondContact O-CB 3.34Å; S469-L473 WeakPolarHBondContact O-CD1 3.27Å; S469-L473 WeakPolarHBondContact O-CG 3.39Å; S469-L473 PolarHBondContact O-N 3.29Å; S469-L506 VanDerWaalsContact CB-CD1 3.44Å; S469-L506 WeakPolarHBondContact OG-CD1 3.36Å; S469-L506 VanDerWaalsContact OG-CD2 3.29Å; S469-L506 WeakPolarHBondContact OG-CD2 3.46Å
470	L	62.4	Low	66.4	Low	40 Å²	40	52.4 Å²	52.4	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-48.6	-179	-124.3	146.8	0	0	0	113.4	K468 T472 L473 E474 L506 Y509 Y717	K468-L470 PolarHBondContact O-N 2.92Å; L470-T472 VanDerWaalsContact C-N 3.28Å; L470-T472 PolarHBondContact O-N 3.32Å; L470-L473 CarbonylContact O-C 3.56Å; L470-L473 WeakPolarHBondContact O-CA 3.37Å; L470-L473 WeakPolarHBondContact O-CB 3.14Å; L470-L473 PolarHBondContact O-N 3.2Å; L470-L473 VanDerWaalsContact O-N 3.13Å; L470-E474 HydrophobicContact CD2-CG 4.33Å; L470-E474 WeakPolarHBondContact O-CG 3.29Å; L470-E474 PolarHBondContact O-N 3.17Å; L470-L506 HydrophobicContact CB-CD1 3.96Å; L470-L506 HydrophobicContact CD1-CD1 4.34Å; L470-L506 HydrophobicContact CG-CD1 4.13Å; L470-Y509 HydrophobicContact CD2-CD1 3.89Å; L470-Y509 VanDerWaalsContact CD2-CD1 3.44Å; L470-Y509 HydrophobicContact CD2-CD2 4.22Å; L470-Y509 HydrophobicContact CD2-CE1 4.16Å; L470-Y509 HydrophobicContact CD2-CG 3.63Å; L470-Y509 HydrophobicContact CG-CD1 4.26Å; L470-Y717 HydrophobicContact CD1-CD2 3.97Å; L470-Y717 HydrophobicContact CD1-CE1 4.14Å; L470-Y717 HydrophobicContact CD1-CE2 3.21Å; L470-Y717 WeakPolarHBondContact CD1-OH 2.99Å
471	K	64.7	Low	66.5	Low	96 Å²	96	55.9 Å²	55.9	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-39.7	172.9	-75.6	-176.4	175.9	-177	0	111.7	N424 L473 E474 I475	N424-K471 PolarHBondContact O-NZ 3.11Å; K471-L473 VanDerWaalsContact C-N 3.29Å; K471-L473 PolarHBondContact O-N 3.16Å; K471-E474 WeakPolarHBondContact O-CB 3.3Å; K471-E474 PolarHBondContact O-N 3.12Å; K471-I475 VanDerWaalsContact O-CD1 3.25Å; K471-I475 WeakPolarHBondContact O-CD1 3.45Å; K471-I475 WeakPolarHBondContact O-CG1 3.43Å; K471-I475 PolarHBondContact O-N 3.21Å
472	T	69.6	Low	67	Low	22 Å²	22	57.3 Å²	57.3	14%	0.135	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-42.7	174.3	-62.6	0	0	0	0	111.1	V461 K468 S469 L470 I475 I476	V461-T472 HydrophobicContact CB-CG2 4.25Å; V461-T472 HydrophobicContact CG1-CG2 3.61Å; V461-T472 HydrophobicContact CG2-CG2 3.82Å; K468-T472 WeakPolarHBondContact O-CB 3.42Å; K468-T472 PolarHBondContact O-N 2.87Å; K468-T472 VanDerWaalsContact O-N 3.13Å; K468-T472 PolarHBondContact O-OG1 2.93Å; S469-T472 CarbonylContact O-C 3.55Å; S469-T472 WeakPolarHBondContact O-CB 3.28Å; S469-T472 PolarHBondContact O-N 3.27Å; L470-T472 VanDerWaalsContact C-N 3.28Å; L470-T472 PolarHBondContact O-N 3.32Å; T472-I475 WeakPolarHBondContact O-CB 3.45Å; T472-I475 PolarHBondContact O-N 3.12Å; T472-I476 HydrophobicContact CG2-CD1 3.67Å; T472-I476 HydrophobicContact CG2-CG1 4.41Å; T472-I476 WeakPolarHBondContact O-CB 3.34Å; T472-I476 VanDerWaalsContact O-CD1 3.23Å; T472-I476 WeakPolarHBondContact O-CD1 3.42Å; T472-I476 WeakPolarHBondContact O-CG1 3.37Å; T472-I476 PolarHBondContact O-N 3.12Å
473	L	70.8	Confident	67.5	Low	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-39.5	176.5	-73.7	169.9	0	0	0	111.9	S469 L470 K471 I475 I476 E477 I491 L506 Y509 V510 I513	S469-L473 VanDerWaalsContact O-CB 3.24Å; S469-L473 WeakPolarHBondContact O-CB 3.34Å; S469-L473 WeakPolarHBondContact O-CD1 3.27Å; S469-L473 WeakPolarHBondContact O-CG 3.39Å; S469-L473 PolarHBondContact O-N 3.29Å; L470-L473 CarbonylContact O-C 3.56Å; L470-L473 WeakPolarHBondContact O-CA 3.37Å; L470-L473 WeakPolarHBondContact O-CB 3.14Å; L470-L473 PolarHBondContact O-N 3.2Å; L470-L473 VanDerWaalsContact O-N 3.13Å; K471-L473 VanDerWaalsContact C-N 3.29Å; K471-L473 PolarHBondContact O-N 3.16Å; L473-I475 VanDerWaalsContact C-N 3.32Å; L473-I475 PolarHBondContact O-N 3.14Å; L473-I476 CarbonylContact O-C 3.55Å; L473-I476 PolarHBondContact O-N 3.19Å; L473-E477 WeakPolarHBondContact O-CB 3.28Å; L473-E477 PolarHBondContact O-N 3.42Å; L473-I491 HydrophobicContact CD2-CG2 3.92Å; L473-L506 HydrophobicContact CD1-CD1 3.68Å; L473-L506 HydrophobicContact CD1-CG 3.95Å; L473-Y509 HydrophobicContact CB-CD1 3.65Å; L473-Y509 HydrophobicContact CB-CE1 3.46Å; L473-Y509 VanDerWaalsContact CB-CE1 3.46Å; L473-Y509 HydrophobicContact CD1-CD1 3.91Å; L473-Y509 HydrophobicContact CG-CD1 4.44Å; L473-V510 HydrophobicContact CD1-CG2 3.43Å; L473-V510 VanDerWaalsContact CD1-CG2 3.43Å; L473-V510 HydrophobicContact CD2-CG2 3.78Å; L473-V510 HydrophobicContact CG-CG2 4.27Å; L473-I513 HydrophobicContact CB-CD1 3.73Å; L473-I513 VanDerWaalsContact CB-CD1 3.5Å; L473-I513 HydrophobicContact CD2-CD1 3.84Å; L473-I513 HydrophobicContact CG-CD1 4.3Å; L473-I513 WeakPolarHBondContact O-CD1 3.45Å
474	E	73	Confident	68.3	Low	51.5 Å²	51.5	52.9 Å²	52.9	24%	0.241	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-39.9	173	-73.4	173	165	0	0	111.9	Y428 L470 K471 E477 N478 Y509	Y428-E474 HydrophobicContact CD2-CB 3.75Å; Y428-E474 HydrophobicContact CD2-CG 4.44Å; Y428-E474 HydrophobicContact CE2-CB 3.87Å; Y428-E474 HydrophobicContact CE2-CG 4.39Å; L470-E474 HydrophobicContact CD2-CG 4.33Å; L470-E474 WeakPolarHBondContact O-CG 3.29Å; L470-E474 PolarHBondContact O-N 3.17Å; K471-E474 WeakPolarHBondContact O-CB 3.3Å; K471-E474 PolarHBondContact O-N 3.12Å; E474-E477 WeakPolarHBondContact O-CB 3.49Å; E474-E477 PolarHBondContact O-N 2.96Å; E474-N478 PolarHBondContact O-N 2.96Å; E474-N478 PolarHBondContact O-ND2 3.18Å; E474-N478 VanDerWaalsContact O-ND2 3.15Å; E474-Y509 VanDerWaalsContact CA-OH 3.25Å; E474-Y509 WeakPolarHBondContact CA-OH 3.41Å; E474-Y509 HydrophobicContact CG-CE1 3.95Å; E474-Y509 WeakPolarHBondContact CG-OH 3.45Å
475	I	75.5	Confident	69	Low	5 Å²	5	47.9 Å²	47.9	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-46.7	175.1	-66.4	155.5	0	0	0	109.9	V427 I457 K471 T472 L473 E477 N478 I479	V427-I475 HydrophobicContact CB-CD1 4.04Å; V427-I475 HydrophobicContact CB-CG1 4.4Å; V427-I475 HydrophobicContact CG1-CD1 3.39Å; V427-I475 HydrophobicContact CG1-CG1 4.11Å; V427-I475 HydrophobicContact CG2-CD1 3.5Å; V427-I475 VanDerWaalsContact CG2-CD1 3.47Å; V427-I475 HydrophobicContact CG2-CG1 3.97Å; V427-I475 HydrophobicContact CG2-CG2 4.16Å; I457-I475 HydrophobicContact CG2-CG2 3.34Å; K471-I475 VanDerWaalsContact O-CD1 3.25Å; K471-I475 WeakPolarHBondContact O-CD1 3.45Å; K471-I475 WeakPolarHBondContact O-CG1 3.43Å; K471-I475 PolarHBondContact O-N 3.21Å; T472-I475 WeakPolarHBondContact O-CB 3.45Å; T472-I475 PolarHBondContact O-N 3.12Å; L473-I475 VanDerWaalsContact C-N 3.32Å; L473-I475 PolarHBondContact O-N 3.14Å; I475-E477 VanDerWaalsContact C-N 3.3Å; I475-E477 PolarHBondContact O-N 3.39Å; I475-N478 PolarHBondContact O-N 3.2Å; I475-N478 VanDerWaalsContact O-N 3.07Å; I475-I479 HydrophobicContact CG2-CD1 4.15Å; I475-I479 HydrophobicContact CG2-CG1 4.22Å; I475-I479 VanDerWaalsContact O-CG1 3.23Å; I475-I479 WeakPolarHBondContact O-CG1 3.34Å; I475-I479 PolarHBondContact O-N 3.1Å; I475-I479 VanDerWaalsContact O-N 3.08Å
476	I	77.7	Confident	70	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-36.1	177.3	-69.7	164.3	0	0	0	110.9	T472 L473 N478 I479 G480 L483 I488 I491 F517	T472-I476 HydrophobicContact CG2-CD1 3.67Å; T472-I476 HydrophobicContact CG2-CG1 4.41Å; T472-I476 WeakPolarHBondContact O-CB 3.34Å; T472-I476 VanDerWaalsContact O-CD1 3.23Å; T472-I476 WeakPolarHBondContact O-CD1 3.42Å; T472-I476 WeakPolarHBondContact O-CG1 3.37Å; T472-I476 PolarHBondContact O-N 3.12Å; L473-I476 CarbonylContact O-C 3.55Å; L473-I476 PolarHBondContact O-N 3.19Å; I476-N478 VanDerWaalsContact C-N 3.27Å; I476-N478 PolarHBondContact O-N 3.13Å; I476-N478 VanDerWaalsContact O-N 3.17Å; I476-I479 PolarHBondContact O-N 3.39Å; I476-G480 WeakPolarHBondContact O-CA 3.25Å; I476-G480 PolarHBondContact O-N 3Å; I476-L483 HydrophobicContact CG1-CD1 4.02Å; I476-L483 HydrophobicContact CG2-CD1 4.15Å; I476-I488 HydrophobicContact CG2-CG2 4.17Å; I476-I491 HydrophobicContact CD1-CD1 3.87Å; I476-I491 HydrophobicContact CD1-CG1 4.49Å; I476-I491 HydrophobicContact CD1-CG2 4.01Å; I476-F517 HydrophobicContact CG2-CE1 3.58Å; I476-F517 HydrophobicContact CG2-CE2 4.29Å; I476-F517 HydrophobicContact CG2-CZ 3.54Å; I476-F517 WeakPolarHBondContact O-CE1 3.18Å
477	E	76.7	Confident	71.2	Confident	44 Å²	44	49.6 Å²	49.6	21%	0.206	25%	0.25	C	C	.	.	H	α-helix	trans	-56.7	-37.5	173	-170.4	-169.4	147.1	0	0	111.4	L473 E474 I475 Y509 I513 H516	L473-E477 WeakPolarHBondContact O-CB 3.28Å; L473-E477 PolarHBondContact O-N 3.42Å; E474-E477 WeakPolarHBondContact O-CB 3.49Å; E474-E477 PolarHBondContact O-N 2.96Å; I475-E477 VanDerWaalsContact C-N 3.3Å; I475-E477 PolarHBondContact O-N 3.39Å; E477-Y509 PolarHBondContact OE2-OH 3.4Å; E477-I513 HydrophobicContact CB-CB 4.24Å; E477-I513 HydrophobicContact CB-CG1 4.18Å; E477-I513 HydrophobicContact CB-CG2 3.91Å; E477-I513 HydrophobicContact CG-CB 4.2Å; E477-I513 HydrophobicContact CG-CG1 4.23Å; E477-I513 HydrophobicContact CG-CG2 4.03Å; E477-H516 HydrophobicContact CG-CB 4.39Å; E477-H516 IonicContact OE1-CE1 3.43Å; E477-H516 PolarHBondContact OE1-CE1 3.47Å; E477-H516 VanDerWaalsContact OE1-CE1 3.31Å; E477-H516 IonicContact OE1-ND1 3.98Å; E477-H516 IonicContact OE1-NE2 3.36Å; E477-H516 PolarHBondContact OE1-NE2 3.4Å
478	N	81.7	Confident	72.5	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.064	21%	0.213	C	C	.	.	H	α-helix	trans	-83.1	-43.2	-176.6	-68.7	-43.7	0	0	0	113.8	Y428 S431 V432 K435 E474 I475 I476	Y428-N478 WeakPolarHBondContact CE2-ND2 3.44Å; S431-N478 PolarHBondContact OG-ND2 3.22Å; V432-N478 VanDerWaalsContact CG2-ND2 3.27Å; V432-N478 WeakPolarHBondContact CG2-ND2 3.39Å; K435-N478 HydrophobicContact CB-CB 4.41Å; K435-N478 WeakPolarHBondContact CB-O 3.29Å; K435-N478 HydrophobicContact CD-CB 4.31Å; K435-N478 WeakPolarHBondContact CD-O 3.24Å; K435-N478 WeakPolarHBondContact CG-O 3.34Å; E474-N478 PolarHBondContact O-N 2.96Å; E474-N478 PolarHBondContact O-ND2 3.18Å; E474-N478 VanDerWaalsContact O-ND2 3.15Å; I475-N478 PolarHBondContact O-N 3.2Å; I475-N478 VanDerWaalsContact O-N 3.07Å; I476-N478 VanDerWaalsContact C-N 3.27Å; I476-N478 PolarHBondContact O-N 3.13Å; I476-N478 VanDerWaalsContact O-N 3.17Å
479	I	81.8	Confident	73.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-110.4	8	-175.2	64	162.9	0	0	0	113.7	S431 I434 I457 I475 I476 Q481 F482 L483	S431-I479 WeakPolarHBondContact O-CG2 3.48Å; I434-I479 HydrophobicContact CB-CG2 3.88Å; I434-I479 HydrophobicContact CD1-CG2 4.28Å; I434-I479 HydrophobicContact CG2-CG2 3.75Å; I457-I479 HydrophobicContact CB-CD1 4.05Å; I457-I479 HydrophobicContact CD1-CD1 4.08Å; I457-I479 HydrophobicContact CG2-CD1 3.57Å; I457-I479 VanDerWaalsContact CG2-CD1 3.48Å; I475-I479 HydrophobicContact CG2-CD1 4.15Å; I475-I479 HydrophobicContact CG2-CG1 4.22Å; I475-I479 VanDerWaalsContact O-CG1 3.23Å; I475-I479 WeakPolarHBondContact O-CG1 3.34Å; I475-I479 PolarHBondContact O-N 3.1Å; I475-I479 VanDerWaalsContact O-N 3.08Å; I476-I479 PolarHBondContact O-N 3.39Å; I479-Q481 VanDerWaalsContact C-N 3.29Å; I479-Q481 PolarHBondContact O-N 3.29Å; I479-Q481 VanDerWaalsContact O-N 3.14Å; I479-F482 HydrophobicContact CB-CB 4.48Å; I479-F482 HydrophobicContact CB-CD2 4.1Å; I479-F482 HydrophobicContact CG2-CD2 4.33Å; I479-F482 WeakPolarHBondContact O-CA 3.45Å; I479-F482 WeakPolarHBondContact O-CB 3.3Å; I479-F482 WeakPolarHBondContact O-CD2 3.39Å; I479-F482 PolarHBondContact O-N 3.07Å; I479-L483 HydrophobicContact CD1-CD1 4.22Å; I479-L483 HydrophobicContact CD1-CD2 4.01Å; I479-L483 HydrophobicContact CD1-CG 4.28Å; I479-L483 HydrophobicContact CG1-CD1 4.24Å; I479-L483 HydrophobicContact CG1-CD2 4.49Å; I479-L483 HydrophobicContact CG1-CG 4.31Å; I479-L483 PolarHBondContact O-N 2.84Å
480	G	76.5	Confident	74.4	Confident	2 Å²	2	43.9 Å²	43.9	2%	0.021	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58.2	-37.6	-171.2	0	0	0	0	0	114.2	I476 F482 L483 I488 F517	I476-G480 WeakPolarHBondContact O-CA 3.25Å; I476-G480 PolarHBondContact O-N 3Å; G480-F482 PolarHBondContact O-N 2.98Å; G480-F482 VanDerWaalsContact O-N 3.1Å; G480-L483 PolarHBondContact O-N 2.99Å; G480-L483 VanDerWaalsContact O-N 3.12Å; G480-I488 WeakPolarHBondContact O-CD1 3.36Å; G480-F517 VanDerWaalsContact CA-CE1 3.47Å
481	Q	76.2	Confident	75.1	Confident	119 Å²	119	42.5 Å²	42.5	56%	0.556	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-60.5	-16.8	175	66.7	-178.7	-16.6	0	0	114.4	I479	I479-Q481 VanDerWaalsContact C-N 3.29Å; I479-Q481 PolarHBondContact O-N 3.29Å; I479-Q481 VanDerWaalsContact O-N 3.14Å
482	F	79.9	Confident	75.7	Confident	41 Å²	41	38.1 Å²	38.1	18%	0.18	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-101.7	-12.5	-178.5	-57.2	-51.2	0	0	0	113.2	I434 C438 M445 V454 I479 G480	I434-F482 HydrophobicContact CG2-CD2 4.31Å; I434-F482 HydrophobicContact CG2-CE2 4.19Å; C438-F482 HydrophobicContact CB-CE1 3.96Å; C438-F482 HydrophobicContact CB-CE2 3.79Å; C438-F482 HydrophobicContact CB-CZ 3.2Å; C438-F482 VanDerWaalsContact SG-CZ 3.54Å; C438-F482 WeakPolarHBondContact SG-CZ 3.48Å; M445-F482 HydrophobicContact CE-CB 3.58Å; M445-F482 HydrophobicContact CE-CD1 3.71Å; M445-F482 HydrophobicContact CE-CG 3.66Å; M445-F482 VanDerWaalsContact CE-O 3.26Å; M445-F482 WeakPolarHBondContact CE-O 3.29Å; M445-F482 HydrophobicContact CG-CB 4.46Å; M445-F482 HydrophobicContact CG-CD1 3.97Å; M445-F482 HydrophobicContact CG-CE1 4.41Å; M445-F482 HydrophobicContact CG-CG 4.34Å; M445-F482 HydrophobicContact SD-CB 3.85Å; M445-F482 HydrophobicContact SD-CD1 4Å; M445-F482 HydrophobicContact SD-CG 3.99Å; V454-F482 HydrophobicContact CG1-CB 4.36Å; I479-F482 HydrophobicContact CB-CB 4.48Å; I479-F482 HydrophobicContact CB-CD2 4.1Å; I479-F482 HydrophobicContact CG2-CD2 4.33Å; I479-F482 WeakPolarHBondContact O-CA 3.45Å; I479-F482 WeakPolarHBondContact O-CB 3.3Å; I479-F482 WeakPolarHBondContact O-CD2 3.39Å; I479-F482 PolarHBondContact O-N 3.07Å; G480-F482 PolarHBondContact O-N 2.98Å; G480-F482 VanDerWaalsContact O-N 3.1Å
483	L	76	Confident	76.2	Confident	18 Å²	18	40 Å²	40	9%	0.094	20%	0.199	C	C	.	.	S	Bend	trans	-84.6	160.3	178.2	-64.2	176	0	0	0	110.4	V454 E458 I476 I479 G480 S485 I488	V454-L483 HydrophobicContact CG1-CD2 4Å; E458-L483 HydrophobicContact CB-CD2 3.77Å; E458-L483 HydrophobicContact CG-CD2 3.99Å; I476-L483 HydrophobicContact CG1-CD1 4.02Å; I476-L483 HydrophobicContact CG2-CD1 4.15Å; I479-L483 HydrophobicContact CD1-CD1 4.22Å; I479-L483 HydrophobicContact CD1-CD2 4.01Å; I479-L483 HydrophobicContact CD1-CG 4.28Å; I479-L483 HydrophobicContact CG1-CD1 4.24Å; I479-L483 HydrophobicContact CG1-CD2 4.49Å; I479-L483 HydrophobicContact CG1-CG 4.31Å; I479-L483 PolarHBondContact O-N 2.84Å; G480-L483 PolarHBondContact O-N 2.99Å; G480-L483 VanDerWaalsContact O-N 3.12Å; L483-S485 PolarHBondContact O-N 3.01Å; L483-I488 HydrophobicContact CB-CD1 3.81Å; L483-I488 HydrophobicContact CB-CG1 3.92Å; L483-I488 HydrophobicContact CD1-CG1 4.45Å
484	S	70.8	Confident	76.5	Confident	54 Å²	54	43.8 Å²	43.8	38%	0.378	22%	0.215	S	C	.	.			trans	-62.6	125.9	175.7	56	0	0	0	0	111.8	E458 Q486 K487 I488	E458-S484 PolarHBondContact OE1-OG 3.23Å; S484-Q486 VanDerWaalsContact C-N 3.27Å; S484-Q486 PolarHBondContact O-N 2.96Å; S484-K487 PolarHBondContact O-N 3.44Å; S484-K487 VanDerWaalsContact OG-CB 3.27Å; S484-K487 WeakPolarHBondContact OG-CB 3.37Å; S484-I488 WeakPolarHBondContact O-CG1 3.5Å; S484-I488 PolarHBondContact O-N 3.46Å; S484-I488 VanDerWaalsContact O-N 3.17Å
485	S	70.7	Confident	76.7	Confident	63 Å²	63	42 Å²	42	44%	0.441	21%	0.208	S	C	.	.	H	α-helix	trans	-54	-41.9	-177	57.3	0	0	0	0	112.5	L483 K487 I488 I489	L483-S485 PolarHBondContact O-N 3.01Å; S485-K487 VanDerWaalsContact C-N 3.31Å; S485-K487 PolarHBondContact O-N 2.81Å; S485-I488 PolarHBondContact O-N 3.04Å; S485-I489 WeakPolarHBondContact O-CB 3.43Å; S485-I489 WeakPolarHBondContact O-CD1 3.15Å; S485-I489 WeakPolarHBondContact O-CG1 3.48Å; S485-I489 PolarHBondContact O-N 2.84Å
486	Q	76.5	Confident	76.8	Confident	143.5 Å²	143.5	41.8 Å²	41.8	67%	0.671	21%	0.207	S	C	*	.	H	α-helix	trans	-61.4	-35.8	177.3	-75	178.6	-10.6	0	0	114	S484 K490	S484-Q486 VanDerWaalsContact C-N 3.27Å; S484-Q486 PolarHBondContact O-N 2.96Å; Q486-K490 VanDerWaalsContact O-CG 3.25Å; Q486-K490 WeakPolarHBondContact O-CG 3.33Å; Q486-K490 PolarHBondContact O-N 3.16Å; Q486-K490 VanDerWaalsContact O-N 3.16Å
487	K	73.7	Confident	76.8	Confident	54 Å²	54	44.6 Å²	44.6	24%	0.235	22%	0.22	C	C	.	.	H	α-helix	trans	-74.9	-38.9	-180	-163.6	169	-179.5	178.1	0	110.5	E458 S484 S485 K490 I491	E458-K487 HydrophobicContact CG-CD 3.99Å; E458-K487 WeakPolarHBondContact O-CE 3.39Å; E458-K487 PolarHBondContact O-NZ 2.98Å; E458-K487 WeakPolarHBondContact OE1-CD 3.5Å; S484-K487 PolarHBondContact O-N 3.44Å; S484-K487 VanDerWaalsContact OG-CB 3.27Å; S484-K487 WeakPolarHBondContact OG-CB 3.37Å; S485-K487 VanDerWaalsContact C-N 3.31Å; S485-K487 PolarHBondContact O-N 2.81Å; K487-K490 PolarHBondContact O-N 2.99Å; K487-I491 HydrophobicContact CG-CD1 4.24Å; K487-I491 VanDerWaalsContact O-CD1 3.26Å; K487-I491 WeakPolarHBondContact O-CD1 3.23Å; K487-I491 VanDerWaalsContact O-CG1 3.25Å; K487-I491 WeakPolarHBondContact O-CG1 3.37Å; K487-I491 PolarHBondContact O-N 2.93Å; K487-I491 VanDerWaalsContact O-N 3.1Å
488	I	73.8	Confident	76.5	Confident	13 Å²	13	44.6 Å²	44.6	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-48.6	174.5	-59.8	169.8	0	0	0	111	I476 G480 L483 S484 S485 K490 I491 I492 F517	I476-I488 HydrophobicContact CG2-CG2 4.17Å; G480-I488 WeakPolarHBondContact O-CD1 3.36Å; L483-I488 HydrophobicContact CB-CD1 3.81Å; L483-I488 HydrophobicContact CB-CG1 3.92Å; L483-I488 HydrophobicContact CD1-CG1 4.45Å; S484-I488 WeakPolarHBondContact O-CG1 3.5Å; S484-I488 PolarHBondContact O-N 3.46Å; S484-I488 VanDerWaalsContact O-N 3.17Å; S485-I488 PolarHBondContact O-N 3.04Å; I488-K490 VanDerWaalsContact C-N 3.26Å; I488-K490 PolarHBondContact O-N 2.94Å; I488-I491 WeakPolarHBondContact O-CB 3.42Å; I488-I491 PolarHBondContact O-N 3.01Å; I488-I492 HydrophobicContact CG2-CD1 3.59Å; I488-I492 HydrophobicContact CG2-CG1 4.22Å; I488-I492 WeakPolarHBondContact O-CG1 3.4Å; I488-I492 PolarHBondContact O-N 2.84Å; I488-F517 HydrophobicContact CD1-CE1 3.97Å; I488-F517 HydrophobicContact CG2-CD1 4.41Å; I488-F517 HydrophobicContact CG2-CD2 3.91Å; I488-F517 HydrophobicContact CG2-CE1 3.75Å; I488-F517 HydrophobicContact CG2-CE2 4.36Å; I488-F517 HydrophobicContact CG2-CG 4.01Å; I488-F517 HydrophobicContact CG2-CZ 3.75Å
489	I	76	Confident	75.8	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-56.3	-48	178.5	-67.5	162.1	0	0	0	110	S485 I491 I492 E493 E520 Q522 I523	S485-I489 WeakPolarHBondContact O-CB 3.43Å; S485-I489 WeakPolarHBondContact O-CD1 3.15Å; S485-I489 WeakPolarHBondContact O-CG1 3.48Å; S485-I489 PolarHBondContact O-N 2.84Å; I489-I491 VanDerWaalsContact C-N 3.3Å; I489-I491 PolarHBondContact O-N 2.83Å; I489-I492 PolarHBondContact O-N 2.75Å; I489-E493 HydrophobicContact CG2-CG 4.14Å; I489-E493 VanDerWaalsContact CG2-OE1 3.26Å; I489-E493 WeakPolarHBondContact CG2-OE1 3.28Å; I489-E493 WeakPolarHBondContact O-CB 3.3Å; I489-E493 VanDerWaalsContact O-CG 3.31Å; I489-E493 WeakPolarHBondContact O-CG 3.38Å; I489-E493 PolarHBondContact O-N 3.11Å; I489-E520 HydrophobicContact CD1-CG 4.35Å; I489-E520 WeakPolarHBondContact CD1-OE2 3.31Å; I489-E520 WeakPolarHBondContact CG1-OE2 3.33Å; I489-Q522 HydrophobicContact CD1-CB 4.49Å; I489-I523 HydrophobicContact CG1-CD1 4.19Å; I489-I523 HydrophobicContact CG1-CG1 3.95Å; I489-I523 HydrophobicContact CG2-CG1 4.39Å
490	K	79.5	Confident	74.7	Confident	128.5 Å²	128.5	56.1 Å²	56.1	56%	0.559	28%	0.279	S	S	*	.	H	α-helix	trans	-60.3	-38.7	177.1	-74.1	175.5	-178	179.6	0	113.2	Q486 K487 I488 K494	Q486-K490 VanDerWaalsContact O-CG 3.25Å; Q486-K490 WeakPolarHBondContact O-CG 3.33Å; Q486-K490 PolarHBondContact O-N 3.16Å; Q486-K490 VanDerWaalsContact O-N 3.16Å; K487-K490 PolarHBondContact O-N 2.99Å; I488-K490 VanDerWaalsContact C-N 3.26Å; I488-K490 PolarHBondContact O-N 2.94Å; K490-K494 VanDerWaalsContact O-CB 3.23Å; K490-K494 WeakPolarHBondContact O-CB 3.28Å; K490-K494 PolarHBondContact O-N 3.38Å
491	I	76.5	Confident	73.5	Confident	9 Å²	9	57.2 Å²	57.2	5%	0.046	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-45.6	177.7	-68.8	160.8	0	0	0	110.6	V461 L463 L473 I476 K487 I488 I489 N495	V461-I491 HydrophobicContact CG1-CD1 3.89Å; V461-I491 HydrophobicContact CG1-CG1 4.5Å; L463-I491 HydrophobicContact CD2-CB 4.4Å; L463-I491 HydrophobicContact CD2-CD1 4.23Å; L463-I491 HydrophobicContact CD2-CG1 3.37Å; L463-I491 VanDerWaalsContact CD2-CG1 3.4Å; L473-I491 HydrophobicContact CD2-CG2 3.92Å; I476-I491 HydrophobicContact CD1-CD1 3.87Å; I476-I491 HydrophobicContact CD1-CG1 4.49Å; I476-I491 HydrophobicContact CD1-CG2 4.01Å; K487-I491 HydrophobicContact CG-CD1 4.24Å; K487-I491 VanDerWaalsContact O-CD1 3.26Å; K487-I491 WeakPolarHBondContact O-CD1 3.23Å; K487-I491 VanDerWaalsContact O-CG1 3.25Å; K487-I491 WeakPolarHBondContact O-CG1 3.37Å; K487-I491 PolarHBondContact O-N 2.93Å; K487-I491 VanDerWaalsContact O-N 3.1Å; I488-I491 WeakPolarHBondContact O-CB 3.42Å; I488-I491 PolarHBondContact O-N 3.01Å; I489-I491 VanDerWaalsContact C-N 3.3Å; I489-I491 PolarHBondContact O-N 2.83Å; I491-N495 WeakPolarHBondContact O-CB 3.42Å; I491-N495 PolarHBondContact O-N 2.89Å; I491-N495 PolarHBondContact O-ND2 3Å
492	I	77.8	Confident	72.3	Confident	4.5 Å²	4.5	59.3 Å²	59.3	2%	0.023	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-52.6	178.6	-67.7	171.9	0	0	0	109.5	I488 I489 K494 N495 L496 V510 I514 F517 I523	I488-I492 HydrophobicContact CG2-CD1 3.59Å; I488-I492 HydrophobicContact CG2-CG1 4.22Å; I488-I492 WeakPolarHBondContact O-CG1 3.4Å; I488-I492 PolarHBondContact O-N 2.84Å; I489-I492 PolarHBondContact O-N 2.75Å; I492-K494 VanDerWaalsContact C-N 3.32Å; I492-K494 PolarHBondContact O-N 2.91Å; I492-N495 PolarHBondContact O-N 3.19Å; I492-L496 HydrophobicContact CG2-CB 4.24Å; I492-L496 HydrophobicContact CG2-CD2 4.01Å; I492-L496 WeakPolarHBondContact O-CA 3.31Å; I492-L496 WeakPolarHBondContact O-CB 3.45Å; I492-L496 PolarHBondContact O-N 3.28Å; I492-V510 HydrophobicContact CB-CG1 4.39Å; I492-V510 HydrophobicContact CG1-CG1 4.41Å; I492-V510 HydrophobicContact CG2-CG1 4.08Å; I492-I514 HydrophobicContact CD1-CG1 4.31Å; I492-I514 HydrophobicContact CG1-CG1 4.5Å; I492-I514 HydrophobicContact CG2-CD1 4.01Å; I492-I514 HydrophobicContact CG2-CG1 4.16Å; I492-F517 HydrophobicContact CD1-CD2 3.97Å; I492-F517 HydrophobicContact CD1-CE2 3.91Å; I492-F517 HydrophobicContact CD1-CZ 4.37Å; I492-F517 HydrophobicContact CG1-CE2 4.42Å; I492-I523 HydrophobicContact CD1-CD1 3.68Å; I492-I523 HydrophobicContact CG2-CG2 4.13Å
493	E	78.7	Confident	71.2	Confident	61 Å²	61	60.6 Å²	60.6	29%	0.285	31%	0.309	S	S	.	.	H	α-helix	trans	-56.4	-48.4	179.2	-75.5	176.3	172.5	0	0	111.5	I489 N495 L496 M497 H526	I489-E493 HydrophobicContact CG2-CG 4.14Å; I489-E493 VanDerWaalsContact CG2-OE1 3.26Å; I489-E493 WeakPolarHBondContact CG2-OE1 3.28Å; I489-E493 WeakPolarHBondContact O-CB 3.3Å; I489-E493 VanDerWaalsContact O-CG 3.31Å; I489-E493 WeakPolarHBondContact O-CG 3.38Å; I489-E493 PolarHBondContact O-N 3.11Å; E493-N495 PolarHBondContact O-N 3.02Å; E493-L496 PolarHBondContact O-N 2.88Å; E493-M497 VanDerWaalsContact O-CB 3.26Å; E493-M497 WeakPolarHBondContact O-CB 3.33Å; E493-M497 VanDerWaalsContact O-CG 3.28Å; E493-M497 WeakPolarHBondContact O-CG 3.47Å; E493-M497 PolarHBondContact O-N 2.83Å; E493-H526 IonicContact OE1-CD2 3.62Å; E493-H526 IonicContact OE1-NE2 2.67Å; E493-H526 PolarHBondContact OE1-NE2 2.88Å
494	K	77.9	Confident	70.6	Confident	82 Å²	82	61.7 Å²	61.7	36%	0.357	31%	0.314	S	S	.	.	H	α-helix	trans	-58.9	-53.7	178.4	-179	179.4	175.3	174.1	0	111.5	L463 K490 I492 D498	L463-K494 HydrophobicContact CB-CD 4.38Å; L463-K494 WeakPolarHBondContact O-CD 3.13Å; L463-K494 WeakPolarHBondContact O-CE 3.19Å; L463-K494 PolarHBondContact O-NZ 3.01Å; K490-K494 VanDerWaalsContact O-CB 3.23Å; K490-K494 WeakPolarHBondContact O-CB 3.28Å; K490-K494 PolarHBondContact O-N 3.38Å; I492-K494 VanDerWaalsContact C-N 3.32Å; I492-K494 PolarHBondContact O-N 2.91Å; K494-D498 VanDerWaalsContact O-CB 3.27Å; K494-D498 WeakPolarHBondContact O-CB 3.47Å; K494-D498 PolarHBondContact O-N 3.08Å
495	N	76.9	Confident	70.4	Confident	14 Å²	14	60.4 Å²	60.4	8%	0.075	30%	0.304	C	S	.	.	H	α-helix	trans	-78.2	-24.1	-172	-66.6	-32.1	0	0	0	113.1	I491 I492 E493 L506 R507 V510	I491-N495 WeakPolarHBondContact O-CB 3.42Å; I491-N495 PolarHBondContact O-N 2.89Å; I491-N495 PolarHBondContact O-ND2 3Å; I492-N495 PolarHBondContact O-N 3.19Å; E493-N495 PolarHBondContact O-N 3.02Å; N495-L506 HydrophobicContact CB-CD2 4Å; N495-R507 WeakPolarHBondContact O-CG 3.35Å; N495-V510 HydrophobicContact CB-CG2 3.65Å
496	L	78.5	Confident	70.5	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-84.4	-38.8	179.3	-167.1	91.4	0	0	0	112.1	I492 E493 R507 V510 I514 H526 L527 I530 I544	I492-L496 HydrophobicContact CG2-CB 4.24Å; I492-L496 HydrophobicContact CG2-CD2 4.01Å; I492-L496 WeakPolarHBondContact O-CA 3.31Å; I492-L496 WeakPolarHBondContact O-CB 3.45Å; I492-L496 PolarHBondContact O-N 3.28Å; E493-L496 PolarHBondContact O-N 2.88Å; L496-R507 WeakPolarHBondContact CD1-O 3.3Å; L496-R507 PolarHBondContact O-NE 2.85Å; L496-R507 PolarHBondContact O-NH2 3.09Å; L496-V510 HydrophobicContact CB-CG1 4.09Å; L496-V510 HydrophobicContact CD1-CB 4.13Å; L496-V510 HydrophobicContact CD1-CG1 3.98Å; L496-V510 HydrophobicContact CG-CG1 4.48Å; L496-I514 HydrophobicContact CD1-CD1 3.55Å; L496-I514 HydrophobicContact CD2-CD1 4.13Å; L496-H526 HydrophobicContact CD2-CB 4.02Å; L496-L527 HydrophobicContact CD2-CD2 3.86Å; L496-I530 HydrophobicContact CD1-CD1 4.16Å; L496-I530 HydrophobicContact CD2-CD1 3.39Å; L496-I530 VanDerWaalsContact CD2-CD1 3.46Å; L496-I530 HydrophobicContact CG-CD1 3.43Å; L496-I530 VanDerWaalsContact CG-CD1 3.43Å; L496-I544 HydrophobicContact CD1-CD1 4Å; L496-I544 HydrophobicContact CD2-CD1 4.16Å
497	M	76.4	Confident	70.6	Confident	60.5 Å²	60.5	51.1 Å²	51.1	30%	0.298	25%	0.253	S	S	.	.	H	α-helix	trans	-90.5	-13.3	-177.3	-58.1	-60.5	-60.6	0	0	113.9	E493 H499 H526 I530	E493-M497 VanDerWaalsContact O-CB 3.26Å; E493-M497 WeakPolarHBondContact O-CB 3.33Å; E493-M497 VanDerWaalsContact O-CG 3.28Å; E493-M497 WeakPolarHBondContact O-CG 3.47Å; E493-M497 PolarHBondContact O-N 2.83Å; M497-H499 PolarHBondContact O-CD2 3.07Å; M497-H499 PolarHBondContact O-N 2.95Å; M497-H526 HydrophobicContact SD-CB 3.96Å; M497-H526 PolarHBondContact SD-ND1 2.98Å; M497-H526 VanDerWaalsContact SD-ND1 3.35Å; M497-I530 HydrophobicContact SD-CD1 4.03Å; M497-I530 HydrophobicContact SD-CG1 4.39Å
498	D	71.4	Confident	70.8	Confident	43.5 Å²	43.5	49 Å²	49	23%	0.233	24%	0.244	C	C	.	.			trans	-73.3	96.3	178	-170.5	2.2	0	0	0	111.1	K494 N500 N501	K494-D498 VanDerWaalsContact O-CB 3.27Å; K494-D498 WeakPolarHBondContact O-CB 3.47Å; K494-D498 PolarHBondContact O-N 3.08Å; D498-N500 VanDerWaalsContact C-N 3.29Å; D498-N500 PolarHBondContact O-N 2.92Å; D498-N500 VanDerWaalsContact OD1-CB 3.29Å; D498-N500 WeakPolarHBondContact OD1-CB 3.4Å; D498-N500 PolarHBondContact OD1-N 3.38Å; D498-N501 PolarHBondContact O-N 3.32Å; D498-N501 PolarHBondContact OD1-N 3.5Å; D498-N501 PolarHBondContact OD2-ND2 2.92Å
499	H	66.3	Low	70.9	Confident	110.5 Å²	110.5	50 Å²	50	51%	0.512	25%	0.247	S	C	.	.			trans	-72.9	-16.6	174	-64	-72.2	0	0	0	113.2	M497 N501 E536	M497-H499 PolarHBondContact O-CD2 3.07Å; M497-H499 PolarHBondContact O-N 2.95Å; H499-N501 PolarHBondContact O-N 2.84Å; H499-E536 IonicContact CE1-OE1 3.72Å; H499-E536 PolarHBondContact CE1-OE1 3.2Å; H499-E536 VanDerWaalsContact CE1-OE1 3.27Å; H499-E536 IonicContact ND1-OE1 3.41Å
500	N	58	Low	71	Confident	143.5 Å²	143.5	49.4 Å²	49.4	77%	0.767	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-15.8	-178.3	-67.1	-23.9	0	0	0	112.4	D498 N502	D498-N500 VanDerWaalsContact C-N 3.29Å; D498-N500 PolarHBondContact O-N 2.92Å; D498-N500 VanDerWaalsContact OD1-CB 3.29Å; D498-N500 WeakPolarHBondContact OD1-CB 3.4Å; D498-N500 PolarHBondContact OD1-N 3.38Å; N500-N502 PolarHBondContact O-N 2.87Å
501	N	52.4	Low	71	Confident	25 Å²	25	43.3 Å²	43.3	13%	0.134	22%	0.218	C	C	.	.			trans	-69.4	105.7	171.9	-100.3	-13.7	0	0	0	109.3	N466 D498 H499 D503	N466-N501 VanDerWaalsContact CG-OD1 3.25Å; N466-N501 PolarHBondContact ND2-OD1 3.12Å; N466-N501 VanDerWaalsContact ND2-OD1 3.14Å; N466-N501 PolarHBondContact OD1-ND2 2.77Å; N466-N501 PolarHBondContact OD1-OD1 2.93Å; D498-N501 PolarHBondContact O-N 3.32Å; D498-N501 PolarHBondContact OD1-N 3.5Å; D498-N501 PolarHBondContact OD2-ND2 2.92Å; H499-N501 PolarHBondContact O-N 2.84Å; N501-D503 PolarHBondContact O-N 2.87Å
502	N	50.4	Low	71.1	Confident	162.5 Å²	162.5	44.8 Å²	44.8	87%	0.869	22%	0.224	S	C	*	.	S	Bend	trans	-55	-5.7	175.6	-79.2	-19.4	0	0	0	114.5	N500 N504	N500-N502 PolarHBondContact O-N 2.87Å; N502-N504 PolarHBondContact O-N 2.92Å
503	D	58.1	Low	71	Confident	69 Å²	69	44.7 Å²	44.7	37%	0.369	22%	0.224	S	C	.	.			trans	-103.4	78.8	-178	-149.9	-3.9	0	0	0	111	N501 N505 L506	N501-D503 PolarHBondContact O-N 2.87Å; D503-N505 PolarHBondContact O-N 3.02Å; D503-N505 VanDerWaalsContact OD1-CB 3.26Å; D503-N505 WeakPolarHBondContact OD1-CB 3.39Å; D503-N505 PolarHBondContact OD1-N 3.13Å; D503-N505 PolarHBondContact OD1-ND2 2.91Å; D503-L506 HydrophobicContact CB-CB 4.36Å; D503-L506 VanDerWaalsContact O-CB 3.25Å; D503-L506 WeakPolarHBondContact O-CB 3.46Å; D503-L506 PolarHBondContact O-N 3Å
504	N	62	Low	71	Confident	40 Å²	40	42.7 Å²	42.7	21%	0.214	22%	0.215	C	C	.	.	H	α-helix	trans	-53.5	-20.5	173.4	-94.5	-16.7	0	0	0	112.9	N502 L506 R507 L508 F714	N502-N504 PolarHBondContact O-N 2.92Å; N504-L506 VanDerWaalsContact C-N 3.3Å; N504-L506 PolarHBondContact O-N 2.9Å; N504-R507 PolarHBondContact O-N 3.07Å; N504-R507 PolarHBondContact OD1-NH1 2.96Å; N504-L508 WeakPolarHBondContact O-CB 3.32Å; N504-L508 WeakPolarHBondContact O-CD1 3.37Å; N504-L508 VanDerWaalsContact O-CG 3.28Å; N504-L508 WeakPolarHBondContact O-CG 3.26Å; N504-L508 PolarHBondContact O-N 3.34Å; N504-F714 HydrophobicContact CB-CB 3.72Å; N504-F714 HydrophobicContact CB-CD1 4.48Å; N504-F714 HydrophobicContact CB-CG 4.09Å; N504-F714 VanDerWaalsContact ND2-CD1 3.31Å; N504-F714 WeakPolarHBondContact ND2-CD1 3.32Å; N504-F714 WeakPolarHBondContact ND2-CD2 3.47Å; N504-F714 WeakPolarHBondContact ND2-CE2 3.32Å; N504-F714 WeakPolarHBondContact ND2-CG 3.35Å
505	N	67.6	Low	70.8	Confident	28 Å²	28	41.9 Å²	41.9	15%	0.15	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-36.2	173.5	-59.9	-49.2	0	0	0	112.9	D503 R507 L508 Y509 R715 K716 Y717	D503-N505 PolarHBondContact O-N 3.02Å; D503-N505 VanDerWaalsContact OD1-CB 3.26Å; D503-N505 WeakPolarHBondContact OD1-CB 3.39Å; D503-N505 PolarHBondContact OD1-N 3.13Å; D503-N505 PolarHBondContact OD1-ND2 2.91Å; N505-R507 VanDerWaalsContact C-N 3.34Å; N505-L508 WeakPolarHBondContact O-CB 3.35Å; N505-L508 PolarHBondContact O-N 3.27Å; N505-Y509 VanDerWaalsContact O-CB 3.27Å; N505-Y509 WeakPolarHBondContact O-CB 3.17Å; N505-Y509 PolarHBondContact O-N 3.32Å; N505-R715 PolarHBondContact ND2-O 3.03Å; N505-R715 WeakPolarHBondContact OD1-CD 3.29Å; N505-R715 WeakPolarHBondContact OD1-CG 3.33Å; N505-R715 PolarHBondContact OD1-NE 2.74Å; N505-K716 WeakPolarHBondContact ND2-CA 3.38Å; N505-K716 WeakPolarHBondContact OD1-CA 3.42Å; N505-K716 WeakPolarHBondContact OD1-CB 3.19Å; N505-Y717 HydrophobicContact CB-CD2 3.76Å; N505-Y717 PolarHBondContact ND2-N 3.16Å; N505-Y717 PolarHBondContact OD1-N 3.36Å
506	L	71.5	Confident	70.5	Confident	4.5 Å²	4.5	45.1 Å²	45.1	2%	0.024	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-48	178.7	-164.1	82.7	0	0	0	110.1	S469 L470 L473 N495 D503 N504 L508 Y509 V510	S469-L506 VanDerWaalsContact CB-CD1 3.44Å; S469-L506 WeakPolarHBondContact OG-CD1 3.36Å; S469-L506 VanDerWaalsContact OG-CD2 3.29Å; S469-L506 WeakPolarHBondContact OG-CD2 3.46Å; L470-L506 HydrophobicContact CB-CD1 3.96Å; L470-L506 HydrophobicContact CD1-CD1 4.34Å; L470-L506 HydrophobicContact CG-CD1 4.13Å; L473-L506 HydrophobicContact CD1-CD1 3.68Å; L473-L506 HydrophobicContact CD1-CG 3.95Å; N495-L506 HydrophobicContact CB-CD2 4Å; D503-L506 HydrophobicContact CB-CB 4.36Å; D503-L506 VanDerWaalsContact O-CB 3.25Å; D503-L506 WeakPolarHBondContact O-CB 3.46Å; D503-L506 PolarHBondContact O-N 3Å; N504-L506 VanDerWaalsContact C-N 3.3Å; N504-L506 PolarHBondContact O-N 2.9Å; L506-L508 VanDerWaalsContact C-N 3.32Å; L506-L508 PolarHBondContact O-N 3.2Å; L506-Y509 PolarHBondContact O-N 2.91Å; L506-Y509 VanDerWaalsContact O-N 3.12Å; L506-V510 VanDerWaalsContact O-CG2 3.23Å; L506-V510 WeakPolarHBondContact O-CG2 3.37Å; L506-V510 PolarHBondContact O-N 2.88Å
507	R	79.4	Confident	70.3	Confident	7 Å²	7	46 Å²	46	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-43.3	177.8	-64.8	177.8	69.7	-142	-0.3	111.6	N495 L496 N504 N505 V510 G511 E536 L540	N495-R507 WeakPolarHBondContact O-CG 3.35Å; L496-R507 WeakPolarHBondContact CD1-O 3.3Å; L496-R507 PolarHBondContact O-NE 2.85Å; L496-R507 PolarHBondContact O-NH2 3.09Å; N504-R507 PolarHBondContact O-N 3.07Å; N504-R507 PolarHBondContact OD1-NH1 2.96Å; N505-R507 VanDerWaalsContact C-N 3.34Å; R507-V510 PolarHBondContact O-N 2.99Å; R507-G511 PolarHBondContact O-N 3.39Å; R507-E536 IonicContact CZ-OE1 2.9Å; R507-E536 IonicContact CZ-OE2 3.62Å; R507-E536 IonicContact NH1-OE1 3.36Å; R507-E536 PolarHBondContact NH1-OE1 3.11Å; R507-E536 IonicContact NH1-OE2 3.66Å; R507-E536 PolarHBondContact NH1-OE2 3.23Å; R507-E536 VanDerWaalsContact NH2-CD 3.34Å; R507-E536 IonicContact NH2-OE1 2.96Å; R507-E536 PolarHBondContact NH2-OE1 3.03Å; R507-E536 IonicContact NH2-OE2 3.1Å; R507-E536 PolarHBondContact NH2-OE2 3.15Å; R507-L540 HydrophobicContact CB-CD1 4.46Å; R507-L540 HydrophobicContact CB-CD2 4.35Å
508	L	78	Confident	70.1	Confident	8.5 Å²	8.5	47.3 Å²	47.3	5%	0.045	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-47.7	173.5	-79.3	164.5	0	0	0	111.8	N504 N505 L506 G511 Q512 E539 L540	N504-L508 WeakPolarHBondContact O-CB 3.32Å; N504-L508 WeakPolarHBondContact O-CD1 3.37Å; N504-L508 VanDerWaalsContact O-CG 3.28Å; N504-L508 WeakPolarHBondContact O-CG 3.26Å; N504-L508 PolarHBondContact O-N 3.34Å; N505-L508 WeakPolarHBondContact O-CB 3.35Å; N505-L508 PolarHBondContact O-N 3.27Å; L506-L508 VanDerWaalsContact C-N 3.32Å; L506-L508 PolarHBondContact O-N 3.2Å; L508-G511 PolarHBondContact O-N 2.73Å; L508-Q512 WeakPolarHBondContact O-CG 3.3Å; L508-Q512 PolarHBondContact O-N 3.15Å; L508-Q512 VanDerWaalsContact O-N 3.08Å; L508-E539 HydrophobicContact CD2-CB 4.03Å; L508-E539 HydrophobicContact CD2-CG 3.82Å; L508-L540 VanDerWaalsContact CD2-CA 3.43Å; L508-L540 HydrophobicContact CD2-CB 3.64Å; L508-L540 HydrophobicContact CD2-CD1 4.03Å; L508-L540 HydrophobicContact CD2-CG 4.36Å; L508-L540 HydrophobicContact CG-CB 4.31Å; L508-L540 HydrophobicContact CG-CD1 4.32Å
509	Y	74.8	Confident	70.4	Confident	35 Å²	35	48.1 Å²	48.1	14%	0.137	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-44.1	179.9	-171.1	-113.4	0	0	0	111.8	L470 L473 E474 E477 N505 L506 G511 Q512 I513	L470-Y509 HydrophobicContact CD2-CD1 3.89Å; L470-Y509 VanDerWaalsContact CD2-CD1 3.44Å; L470-Y509 HydrophobicContact CD2-CD2 4.22Å; L470-Y509 HydrophobicContact CD2-CE1 4.16Å; L470-Y509 HydrophobicContact CD2-CG 3.63Å; L470-Y509 HydrophobicContact CG-CD1 4.26Å; L473-Y509 HydrophobicContact CB-CD1 3.65Å; L473-Y509 HydrophobicContact CB-CE1 3.46Å; L473-Y509 VanDerWaalsContact CB-CE1 3.46Å; L473-Y509 HydrophobicContact CD1-CD1 3.91Å; L473-Y509 HydrophobicContact CG-CD1 4.44Å; E474-Y509 VanDerWaalsContact CA-OH 3.25Å; E474-Y509 WeakPolarHBondContact CA-OH 3.41Å; E474-Y509 HydrophobicContact CG-CE1 3.95Å; E474-Y509 WeakPolarHBondContact CG-OH 3.45Å; E477-Y509 PolarHBondContact OE2-OH 3.4Å; N505-Y509 VanDerWaalsContact O-CB 3.27Å; N505-Y509 WeakPolarHBondContact O-CB 3.17Å; N505-Y509 PolarHBondContact O-N 3.32Å; L506-Y509 PolarHBondContact O-N 2.91Å; L506-Y509 VanDerWaalsContact O-N 3.12Å; Y509-G511 VanDerWaalsContact C-N 3.29Å; Y509-G511 PolarHBondContact O-N 3.42Å; Y509-Q512 WeakPolarHBondContact O-CA 3.35Å; Y509-Q512 WeakPolarHBondContact O-CB 3.18Å; Y509-Q512 PolarHBondContact O-N 3.31Å; Y509-I513 HydrophobicContact CD1-CD1 3.47Å; Y509-I513 VanDerWaalsContact CD1-CD1 3.47Å; Y509-I513 HydrophobicContact CD1-CG1 4.41Å; Y509-I513 HydrophobicContact CD1-CG2 4.32Å; Y509-I513 HydrophobicContact CE1-CD1 3.18Å; Y509-I513 HydrophobicContact CE1-CG1 4.1Å; Y509-I513 HydrophobicContact CE1-CG2 3.87Å; Y509-I513 HydrophobicContact CE2-CD1 4.25Å; Y509-I513 HydrophobicContact CE2-CG1 4.34Å; Y509-I513 HydrophobicContact CE2-CG2 4.08Å; Y509-I513 HydrophobicContact CG-CD1 4.14Å; Y509-I513 VanDerWaalsContact O-CG1 3.31Å; Y509-I513 WeakPolarHBondContact O-CG1 3.11Å; Y509-I513 WeakPolarHBondContact O-CG2 3.33Å; Y509-I513 PolarHBondContact O-N 2.96Å
510	V	78.7	Confident	71	Confident	0.5 Å²	0.5	45.6 Å²	45.6	0%	0.003	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-45.9	171.9	177.5	0	0	0	0	110.6	L473 I492 N495 L496 L506 R507 Q512 I513 I514	L473-V510 HydrophobicContact CD1-CG2 3.43Å; L473-V510 VanDerWaalsContact CD1-CG2 3.43Å; L473-V510 HydrophobicContact CD2-CG2 3.78Å; L473-V510 HydrophobicContact CG-CG2 4.27Å; I492-V510 HydrophobicContact CB-CG1 4.39Å; I492-V510 HydrophobicContact CG1-CG1 4.41Å; I492-V510 HydrophobicContact CG2-CG1 4.08Å; N495-V510 HydrophobicContact CB-CG2 3.65Å; L496-V510 HydrophobicContact CB-CG1 4.09Å; L496-V510 HydrophobicContact CD1-CB 4.13Å; L496-V510 HydrophobicContact CD1-CG1 3.98Å; L496-V510 HydrophobicContact CG-CG1 4.48Å; L506-V510 VanDerWaalsContact O-CG2 3.23Å; L506-V510 WeakPolarHBondContact O-CG2 3.37Å; L506-V510 PolarHBondContact O-N 2.88Å; R507-V510 PolarHBondContact O-N 2.99Å; V510-Q512 VanDerWaalsContact C-N 3.28Å; V510-Q512 PolarHBondContact O-N 3Å; V510-I513 VanDerWaalsContact O-CG1 3.23Å; V510-I513 WeakPolarHBondContact O-CG1 3.49Å; V510-I513 PolarHBondContact O-N 3.02Å; V510-I513 VanDerWaalsContact O-N 3.14Å; V510-I514 HydrophobicContact CG1-CD1 4.4Å; V510-I514 VanDerWaalsContact O-CG1 3.28Å; V510-I514 WeakPolarHBondContact O-CG1 3.47Å; V510-I514 PolarHBondContact O-N 2.98Å; V510-I514 VanDerWaalsContact O-N 3.12Å
511	G	80.3	Confident	71.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56	-40	175.3	0	0	0	0	0	113.1	R507 L508 Y509 S547	R507-G511 PolarHBondContact O-N 3.39Å; L508-G511 PolarHBondContact O-N 2.73Å; Y509-G511 VanDerWaalsContact C-N 3.29Å; Y509-G511 PolarHBondContact O-N 3.42Å; G511-S547 PolarHBondContact O-OG 3.29Å
512	Q	77.7	Confident	73.2	Confident	40.5 Å²	40.5	48.5 Å²	48.5	19%	0.189	26%	0.261	C	S	.	.	H	α-helix	trans	-73.3	-29.7	179.8	-69.8	177.4	4.8	0	0	113.4	L508 Y509 V510 H516 T543	L508-Q512 WeakPolarHBondContact O-CG 3.3Å; L508-Q512 PolarHBondContact O-N 3.15Å; L508-Q512 VanDerWaalsContact O-N 3.08Å; Y509-Q512 WeakPolarHBondContact O-CA 3.35Å; Y509-Q512 WeakPolarHBondContact O-CB 3.18Å; Y509-Q512 PolarHBondContact O-N 3.31Å; V510-Q512 VanDerWaalsContact C-N 3.28Å; V510-Q512 PolarHBondContact O-N 3Å; Q512-H516 PolarHBondContact O-ND1 3.13Å; Q512-T543 HydrophobicContact CB-CG2 4.31Å; Q512-T543 HydrophobicContact CG-CG2 3.52Å
513	I	75.5	Confident	74.6	Confident	2.5 Å²	2.5	41.4 Å²	41.4	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-82	-22.1	-179.2	0.6	169.6	0	0	0	112.2	L473 E477 Y509 V510 D515 H516 F517	L473-I513 HydrophobicContact CB-CD1 3.73Å; L473-I513 VanDerWaalsContact CB-CD1 3.5Å; L473-I513 HydrophobicContact CD2-CD1 3.84Å; L473-I513 HydrophobicContact CG-CD1 4.3Å; L473-I513 WeakPolarHBondContact O-CD1 3.45Å; E477-I513 HydrophobicContact CB-CB 4.24Å; E477-I513 HydrophobicContact CB-CG1 4.18Å; E477-I513 HydrophobicContact CB-CG2 3.91Å; E477-I513 HydrophobicContact CG-CB 4.2Å; E477-I513 HydrophobicContact CG-CG1 4.23Å; E477-I513 HydrophobicContact CG-CG2 4.03Å; Y509-I513 HydrophobicContact CD1-CD1 3.47Å; Y509-I513 VanDerWaalsContact CD1-CD1 3.47Å; Y509-I513 HydrophobicContact CD1-CG1 4.41Å; Y509-I513 HydrophobicContact CD1-CG2 4.32Å; Y509-I513 HydrophobicContact CE1-CD1 3.18Å; Y509-I513 HydrophobicContact CE1-CG1 4.1Å; Y509-I513 HydrophobicContact CE1-CG2 3.87Å; Y509-I513 HydrophobicContact CE2-CD1 4.25Å; Y509-I513 HydrophobicContact CE2-CG1 4.34Å; Y509-I513 HydrophobicContact CE2-CG2 4.08Å; Y509-I513 HydrophobicContact CG-CD1 4.14Å; Y509-I513 VanDerWaalsContact O-CG1 3.31Å; Y509-I513 WeakPolarHBondContact O-CG1 3.11Å; Y509-I513 WeakPolarHBondContact O-CG2 3.33Å; Y509-I513 PolarHBondContact O-N 2.96Å; V510-I513 VanDerWaalsContact O-CG1 3.23Å; V510-I513 WeakPolarHBondContact O-CG1 3.49Å; V510-I513 PolarHBondContact O-N 3.02Å; V510-I513 VanDerWaalsContact O-N 3.14Å; I513-D515 PolarHBondContact O-N 3.16Å; I513-D515 VanDerWaalsContact O-N 3.12Å; I513-H516 VanDerWaalsContact O-CB 3.3Å; I513-H516 WeakPolarHBondContact O-CB 3.45Å; I513-H516 PolarHBondContact O-N 3.29Å; I513-F517 HydrophobicContact CB-CZ 4.36Å; I513-F517 HydrophobicContact CD1-CE2 4.14Å; I513-F517 HydrophobicContact CD1-CZ 3.85Å; I513-F517 HydrophobicContact CG1-CE2 3.95Å; I513-F517 HydrophobicContact CG1-CZ 4Å; I513-F517 HydrophobicContact CG2-CD2 4.38Å; I513-F517 HydrophobicContact CG2-CE2 3.51Å; I513-F517 HydrophobicContact CG2-CZ 4.3Å; I513-F517 WeakPolarHBondContact O-CD2 3.03Å; I513-F517 WeakPolarHBondContact O-CE2 2.77Å
514	I	79.6	Confident	75.9	Confident	18.5 Å²	18.5	39.7 Å²	39.7	10%	0.095	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-55.1	-33.1	178.2	-71.2	161.4	0	0	0	111.6	I492 L496 V510 H516 F517 L527 I544	I492-I514 HydrophobicContact CD1-CG1 4.31Å; I492-I514 HydrophobicContact CG1-CG1 4.5Å; I492-I514 HydrophobicContact CG2-CD1 4.01Å; I492-I514 HydrophobicContact CG2-CG1 4.16Å; L496-I514 HydrophobicContact CD1-CD1 3.55Å; L496-I514 HydrophobicContact CD2-CD1 4.13Å; V510-I514 HydrophobicContact CG1-CD1 4.4Å; V510-I514 VanDerWaalsContact O-CG1 3.28Å; V510-I514 WeakPolarHBondContact O-CG1 3.47Å; V510-I514 PolarHBondContact O-N 2.98Å; V510-I514 VanDerWaalsContact O-N 3.12Å; I514-H516 PolarHBondContact O-N 3.28Å; I514-H516 VanDerWaalsContact O-N 3.15Å; I514-F517 PolarHBondContact O-N 2.98Å; I514-F517 VanDerWaalsContact O-N 3.14Å; I514-L527 HydrophobicContact CD1-CD2 3.74Å; I514-L527 HydrophobicContact CG2-CD1 4.4Å; I514-I544 HydrophobicContact CD1-CD1 4.4Å
515	D	72.7	Confident	77	Confident	65 Å²	65	43.6 Å²	43.6	35%	0.348	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-62.9	-13.2	175.6	0	-5.9	0	0	0	113.9	I513 S547 K550	I513-D515 PolarHBondContact O-N 3.16Å; I513-D515 VanDerWaalsContact O-N 3.12Å; D515-S547 WeakPolarHBondContact OD1-CA 3.4Å; D515-S547 WeakPolarHBondContact OD1-CB 3.24Å; D515-S547 PolarHBondContact OD1-N 3.04Å; D515-S547 PolarHBondContact OD1-OG 3.21Å; D515-K550 HydrophobicContact CB-CD 4.11Å; D515-K550 WeakPolarHBondContact O-CD 3.05Å; D515-K550 VanDerWaalsContact O-CE 3.28Å; D515-K550 WeakPolarHBondContact O-CE 3.38Å; D515-K550 PolarHBondContact O-NZ 3.09Å
516	H	70.8	Confident	77.9	Confident	82.5 Å²	82.5	44.9 Å²	44.9	38%	0.382	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-90.9	-13.1	177.4	-64.9	82.7	0	0	0	113.5	E477 Q512 I513 I514	E477-H516 HydrophobicContact CG-CB 4.39Å; E477-H516 IonicContact OE1-CE1 3.43Å; E477-H516 PolarHBondContact OE1-CE1 3.47Å; E477-H516 VanDerWaalsContact OE1-CE1 3.31Å; E477-H516 IonicContact OE1-ND1 3.98Å; E477-H516 IonicContact OE1-NE2 3.36Å; E477-H516 PolarHBondContact OE1-NE2 3.4Å; Q512-H516 PolarHBondContact O-ND1 3.13Å; I513-H516 VanDerWaalsContact O-CB 3.3Å; I513-H516 WeakPolarHBondContact O-CB 3.45Å; I513-H516 PolarHBondContact O-N 3.29Å; I514-H516 PolarHBondContact O-N 3.28Å; I514-H516 VanDerWaalsContact O-N 3.15Å
517	F	74.5	Confident	78.7	Confident	19.5 Å²	19.5	44.9 Å²	44.9	9%	0.086	24%	0.24	C	C	.	.	S	Bend	trans	-93.7	163.4	-179.3	-58.1	-65.3	0	0	0	113.1	I476 G480 I488 I492 I513 I514 K550	I476-F517 HydrophobicContact CG2-CE1 3.58Å; I476-F517 HydrophobicContact CG2-CE2 4.29Å; I476-F517 HydrophobicContact CG2-CZ 3.54Å; I476-F517 WeakPolarHBondContact O-CE1 3.18Å; G480-F517 VanDerWaalsContact CA-CE1 3.47Å; I488-F517 HydrophobicContact CD1-CE1 3.97Å; I488-F517 HydrophobicContact CG2-CD1 4.41Å; I488-F517 HydrophobicContact CG2-CD2 3.91Å; I488-F517 HydrophobicContact CG2-CE1 3.75Å; I488-F517 HydrophobicContact CG2-CE2 4.36Å; I488-F517 HydrophobicContact CG2-CG 4.01Å; I488-F517 HydrophobicContact CG2-CZ 3.75Å; I492-F517 HydrophobicContact CD1-CD2 3.97Å; I492-F517 HydrophobicContact CD1-CE2 3.91Å; I492-F517 HydrophobicContact CD1-CZ 4.37Å; I492-F517 HydrophobicContact CG1-CE2 4.42Å; I513-F517 HydrophobicContact CB-CZ 4.36Å; I513-F517 HydrophobicContact CD1-CE2 4.14Å; I513-F517 HydrophobicContact CD1-CZ 3.85Å; I513-F517 HydrophobicContact CG1-CE2 3.95Å; I513-F517 HydrophobicContact CG1-CZ 4Å; I513-F517 HydrophobicContact CG2-CD2 4.38Å; I513-F517 HydrophobicContact CG2-CE2 3.51Å; I513-F517 HydrophobicContact CG2-CZ 4.3Å; I513-F517 WeakPolarHBondContact O-CD2 3.03Å; I513-F517 WeakPolarHBondContact O-CE2 2.77Å; I514-F517 PolarHBondContact O-N 2.98Å; I514-F517 VanDerWaalsContact O-N 3.14Å; F517-K550 PolarHBondContact O-NZ 3.06Å
518	S	73.1	Confident	79.2	Confident	87 Å²	87	45.3 Å²	45.3	61%	0.608	24%	0.242	S	C	*	.			trans	-60.5	146.6	165.7	-8.9	0	0	0	0	110.6	E520	S518-E520 VanDerWaalsContact C-OE2 3.23Å; S518-E520 WeakPolarHBondContact CB-OE2 3.08Å; S518-E520 PolarHBondContact O-N 3.16Å; S518-E520 VanDerWaalsContact O-N 3.12Å
519	C	77.6	Confident	79.7	Confident	60 Å²	60	47.6 Å²	47.6	41%	0.405	26%	0.258	S	S	.	.			trans	-75.3	108.2	-177.3	-66.5	0	0	0	0	110.9	C551	C519-C551 HydrophobicContact CB-CB 3.67Å; C519-C551 WeakPolarHBondContact CB-SG 3.41Å; C519-C551 WeakPolarHBondContact SG-CB 3.37Å; C519-C551 CovalentContact SG-SG 2.02Å; C519-C551 PolarHBondContact SG-SG 3.22Å
520	E	78.9	Confident	80.3	Confident	58 Å²	58	46.1 Å²	46.1	27%	0.271	25%	0.253	S	S	.	.			trans	-106.3	119.3	179.9	-91.7	121.3	179.1	0	0	110.9	I489 S518 Q522 I523	I489-E520 HydrophobicContact CD1-CG 4.35Å; I489-E520 WeakPolarHBondContact CD1-OE2 3.31Å; I489-E520 WeakPolarHBondContact CG1-OE2 3.33Å; S518-E520 VanDerWaalsContact C-OE2 3.23Å; S518-E520 WeakPolarHBondContact CB-OE2 3.08Å; S518-E520 PolarHBondContact O-N 3.16Å; S518-E520 VanDerWaalsContact O-N 3.12Å; E520-Q522 PolarHBondContact O-N 2.87Å; E520-Q522 VanDerWaalsContact O-N 3.09Å; E520-I523 HydrophobicContact CB-CD1 3.86Å; E520-I523 HydrophobicContact CB-CG1 4.12Å; E520-I523 PolarHBondContact O-N 3.19Å
521	P	77.2	Confident	80.8	Confident	100 Å²	100	46.2 Å²	46.2	65%	0.649	25%	0.253	S	S	*	.	H	α-helix	trans	-62	-20.3	-177	-1.9	1.4	0	0	0	114.5	I523 D524	P521-I523 VanDerWaalsContact C-N 3.29Å; P521-I523 PolarHBondContact O-N 2.79Å; P521-D524 PolarHBondContact O-N 3.48Å
522	Q	78.2	Confident	81.2	Confident	130 Å²	130	50 Å²	50	61%	0.607	27%	0.273	S	S	*	.	H	α-helix	trans	-64.9	-37	177.7	-66.7	-179.9	-3	0	0	111.8	I489 E520 H526	I489-Q522 HydrophobicContact CD1-CB 4.49Å; E520-Q522 PolarHBondContact O-N 2.87Å; E520-Q522 VanDerWaalsContact O-N 3.09Å; Q522-H526 PolarHBondContact O-CD2 2.98Å
523	I	81.3	Confident	81.5	Confident	12.5 Å²	12.5	50.4 Å²	50.4	6%	0.064	28%	0.276	C	S	.	.	H	α-helix	trans	-76.3	-29.5	-178.1	-54.2	175.4	0	0	0	110.8	I489 I492 E520 P521 N525 H526 L527	I489-I523 HydrophobicContact CG1-CD1 4.19Å; I489-I523 HydrophobicContact CG1-CG1 3.95Å; I489-I523 HydrophobicContact CG2-CG1 4.39Å; I492-I523 HydrophobicContact CD1-CD1 3.68Å; I492-I523 HydrophobicContact CG2-CG2 4.13Å; E520-I523 HydrophobicContact CB-CD1 3.86Å; E520-I523 HydrophobicContact CB-CG1 4.12Å; E520-I523 PolarHBondContact O-N 3.19Å; P521-I523 VanDerWaalsContact C-N 3.29Å; P521-I523 PolarHBondContact O-N 2.79Å; I523-N525 PolarHBondContact O-N 3.11Å; I523-N525 VanDerWaalsContact O-N 3.12Å; I523-H526 WeakPolarHBondContact O-CA 3.1Å; I523-H526 WeakPolarHBondContact O-CB 3.44Å; I523-H526 PolarHBondContact O-N 3.09Å; I523-L527 HydrophobicContact CG2-CD1 4.3Å; I523-L527 HydrophobicContact CG2-CD2 4.11Å; I523-L527 HydrophobicContact CG2-CG 4.02Å; I523-L527 WeakPolarHBondContact O-CG 3.41Å; I523-L527 PolarHBondContact O-N 2.66Å
524	D	84.9	Confident	81.9	Confident	34 Å²	34	55.2 Å²	55.2	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-54.4	-36.7	-176.6	-85.4	-21.9	0	0	0	113	P521 H526 L527 W528 K556	P521-D524 PolarHBondContact O-N 3.48Å; D524-H526 VanDerWaalsContact C-N 3.33Å; D524-H526 PolarHBondContact O-N 3.18Å; D524-L527 PolarHBondContact O-N 3.26Å; D524-W528 PolarHBondContact O-N 3.01Å; D524-K556 IonicContact OD1-NZ 3.88Å; D524-K556 PolarHBondContact OD1-NZ 2.9Å; D524-K556 WeakPolarHBondContact OD2-CE 3.22Å; D524-K556 IonicContact OD2-NZ 3.33Å; D524-K556 PolarHBondContact OD2-NZ 3.03Å
525	N	85.1	Confident	82	Confident	121.5 Å²	121.5	61.1 Å²	61.1	65%	0.65	34%	0.338	S	S	*	.	H	α-helix	trans	-62.4	-41.7	177.4	-74.1	-24.6	0	0	0	112	I523 S529	I523-N525 PolarHBondContact O-N 3.11Å; I523-N525 VanDerWaalsContact O-N 3.12Å; N525-S529 PolarHBondContact O-N 3.05Å; N525-S529 VanDerWaalsContact O-N 3.12Å
526	H	85.9	Confident	82.5	Confident	55.5 Å²	55.5	58.7 Å²	58.7	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-43.3	175	-66.7	-69.3	0	0	0	111.2	E493 L496 M497 Q522 I523 D524 W528 S529 I530	E493-H526 IonicContact OE1-CD2 3.62Å; E493-H526 IonicContact OE1-NE2 2.67Å; E493-H526 PolarHBondContact OE1-NE2 2.88Å; L496-H526 HydrophobicContact CD2-CB 4.02Å; M497-H526 HydrophobicContact SD-CB 3.96Å; M497-H526 PolarHBondContact SD-ND1 2.98Å; M497-H526 VanDerWaalsContact SD-ND1 3.35Å; Q522-H526 PolarHBondContact O-CD2 2.98Å; I523-H526 WeakPolarHBondContact O-CA 3.1Å; I523-H526 WeakPolarHBondContact O-CB 3.44Å; I523-H526 PolarHBondContact O-N 3.09Å; D524-H526 VanDerWaalsContact C-N 3.33Å; D524-H526 PolarHBondContact O-N 3.18Å; H526-W528 VanDerWaalsContact C-N 3.34Å; H526-W528 PolarHBondContact O-N 3.09Å; H526-S529 WeakPolarHBondContact O-CB 3.34Å; H526-S529 PolarHBondContact O-N 3.29Å; H526-S529 VanDerWaalsContact O-N 3.11Å; H526-S529 PolarHBondContact O-OG 3.14Å; H526-I530 PolarHBondContact O-N 3.18Å
527	L	88.7	Confident	83.1	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-60	-43.7	177	-58.4	-177.2	0	0	0	112.1	L496 I514 I523 D524 S529 I530 F531 I544 L548	L496-L527 HydrophobicContact CD2-CD2 3.86Å; I514-L527 HydrophobicContact CD1-CD2 3.74Å; I514-L527 HydrophobicContact CG2-CD1 4.4Å; I523-L527 HydrophobicContact CG2-CD1 4.3Å; I523-L527 HydrophobicContact CG2-CD2 4.11Å; I523-L527 HydrophobicContact CG2-CG 4.02Å; I523-L527 WeakPolarHBondContact O-CG 3.41Å; I523-L527 PolarHBondContact O-N 2.66Å; D524-L527 PolarHBondContact O-N 3.26Å; L527-S529 VanDerWaalsContact C-N 3.31Å; L527-S529 PolarHBondContact O-N 3.42Å; L527-I530 PolarHBondContact O-N 2.72Å; L527-F531 WeakPolarHBondContact O-CB 3.43Å; L527-F531 PolarHBondContact O-N 3.03Å; L527-I544 HydrophobicContact CB-CG2 3.65Å; L527-I544 HydrophobicContact CD2-CD1 3.93Å; L527-I544 HydrophobicContact CD2-CG2 3.97Å; L527-I544 HydrophobicContact CG-CG2 4.32Å; L527-I544 VanDerWaalsContact O-CG2 3.24Å; L527-I544 WeakPolarHBondContact O-CG2 3.41Å; L527-L548 HydrophobicContact CB-CD1 4.26Å; L527-L548 HydrophobicContact CB-CD2 3.72Å; L527-L548 HydrophobicContact CB-CG 3.89Å; L527-L548 HydrophobicContact CD1-CD2 3.99Å; L527-L548 HydrophobicContact CD1-CG 4.22Å; L527-L548 HydrophobicContact CG-CD2 4.47Å
528	W	89.5	Confident	83.6	Confident	17 Å²	17	55.2 Å²	55.2	6%	0.064	31%	0.311	C	S	.	.	H	α-helix	trans	-60.6	-39.6	174.8	-80.6	118.3	0	0	0	112.6	D524 H526 I530 F531 L532 L548 K556 K559 I560 I563	D524-W528 PolarHBondContact O-N 3.01Å; H526-W528 VanDerWaalsContact C-N 3.34Å; H526-W528 PolarHBondContact O-N 3.09Å; W528-I530 VanDerWaalsContact C-N 3.31Å; W528-I530 PolarHBondContact O-N 3.15Å; W528-F531 AromaticContact CE3-CD1 3.97Å; W528-F531 HydrophobicContact CE3-CD1 3.97Å; W528-F531 AromaticContact CZ3-CD1 3.73Å; W528-F531 HydrophobicContact CZ3-CD1 3.73Å; W528-F531 HydrophobicContact CZ3-CE1 4.06Å; W528-L532 WeakPolarHBondContact O-CB 3.37Å; W528-L532 VanDerWaalsContact O-CG 3.26Å; W528-L532 WeakPolarHBondContact O-CG 3.23Å; W528-L532 PolarHBondContact O-N 3.12Å; W528-L532 VanDerWaalsContact O-N 3.12Å; W528-L548 HydrophobicContact CD2-CD1 4.09Å; W528-L548 HydrophobicContact CD2-CD2 4.43Å; W528-L548 HydrophobicContact CE3-CD1 4.07Å; W528-L548 HydrophobicContact CH2-CD1 4.37Å; W528-L548 HydrophobicContact CZ2-CD1 4.4Å; W528-L548 HydrophobicContact CZ2-CD2 4.33Å; W528-L548 HydrophobicContact CZ3-CD1 4.2Å; W528-K556 HydrophobicContact CZ2-CB 4.32Å; W528-K556 HydrophobicContact CZ2-CG 4.23Å; W528-K559 VanDerWaalsContact CD1-NZ 3.3Å; W528-K559 HydrophobicContact CD2-CD 3.99Å; W528-K559 VanDerWaalsContact CD2-NZ 3.27Å; W528-K559 HydrophobicContact CE3-CD 4.25Å; W528-K559 HydrophobicContact CH2-CB 4.17Å; W528-K559 HydrophobicContact CH2-CD 3.97Å; W528-K559 HydrophobicContact CH2-CG 3.91Å; W528-K559 HydrophobicContact CZ2-CB 4.25Å; W528-K559 HydrophobicContact CZ2-CD 3.69Å; W528-K559 HydrophobicContact CZ2-CG 4.09Å; W528-K559 HydrophobicContact CZ3-CD 4.25Å; W528-K559 HydrophobicContact CZ3-CG 4.2Å; W528-I560 HydrophobicContact CH2-CG1 3.81Å; W528-I560 HydrophobicContact CZ3-CG1 4.49Å; W528-I563 HydrophobicContact CE3-CD1 4.07Å; W528-I563 HydrophobicContact CH2-CD1 4.16Å; W528-I563 HydrophobicContact CZ3-CD1 3.4Å; W528-I563 VanDerWaalsContact CZ3-CD1 3.44Å
529	S	88.3	Confident	84.2	Confident	56 Å²	56	51.5 Å²	51.5	39%	0.392	28%	0.284	S	S	.	.	H	α-helix	trans	-62.3	-37.8	179.3	76.9	0	0	0	0	112.4	N525 H526 L527 N533	N525-S529 PolarHBondContact O-N 3.05Å; N525-S529 VanDerWaalsContact O-N 3.12Å; H526-S529 WeakPolarHBondContact O-CB 3.34Å; H526-S529 PolarHBondContact O-N 3.29Å; H526-S529 VanDerWaalsContact O-N 3.11Å; H526-S529 PolarHBondContact O-OG 3.14Å; L527-S529 VanDerWaalsContact C-N 3.31Å; L527-S529 PolarHBondContact O-N 3.42Å; S529-N533 WeakPolarHBondContact O-CB 3.43Å; S529-N533 PolarHBondContact O-N 3.44Å
530	I	87.9	Confident	84.6	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-77.3	-44.9	179.5	-63	171.5	0	0	0	111.2	L496 M497 H526 L527 W528 L532 N533 E536 L540 I544	L496-I530 HydrophobicContact CD1-CD1 4.16Å; L496-I530 HydrophobicContact CD2-CD1 3.39Å; L496-I530 VanDerWaalsContact CD2-CD1 3.46Å; L496-I530 HydrophobicContact CG-CD1 3.43Å; L496-I530 VanDerWaalsContact CG-CD1 3.43Å; M497-I530 HydrophobicContact SD-CD1 4.03Å; M497-I530 HydrophobicContact SD-CG1 4.39Å; H526-I530 PolarHBondContact O-N 3.18Å; L527-I530 PolarHBondContact O-N 2.72Å; W528-I530 VanDerWaalsContact C-N 3.31Å; W528-I530 PolarHBondContact O-N 3.15Å; I530-L532 PolarHBondContact O-N 3.04Å; I530-N533 PolarHBondContact O-N 3.1Å; I530-N533 VanDerWaalsContact O-N 3.14Å; I530-E536 HydrophobicContact CG2-CG 4.17Å; I530-L540 HydrophobicContact CG2-CD2 3.93Å; I530-L540 HydrophobicContact CG2-CG 3.98Å; I530-I544 HydrophobicContact CB-CG1 4.41Å; I530-I544 HydrophobicContact CG2-CG1 3.9Å
531	F	89.5	Confident	85.1	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-38.2	179.4	176.1	-113.4	0	0	0	112.4	L527 W528 R541 I544 F545 L548 I563 I572 V576	L527-F531 WeakPolarHBondContact O-CB 3.43Å; L527-F531 PolarHBondContact O-N 3.03Å; W528-F531 AromaticContact CE3-CD1 3.97Å; W528-F531 HydrophobicContact CE3-CD1 3.97Å; W528-F531 AromaticContact CZ3-CD1 3.73Å; W528-F531 HydrophobicContact CZ3-CD1 3.73Å; W528-F531 HydrophobicContact CZ3-CE1 4.06Å; F531-R541 HydrophobicContact CD2-CB 4.46Å; F531-R541 WeakPolarHBondContact CD2-O 3.43Å; F531-R541 PolarHBondContact O-NE 2.89Å; F531-R541 PolarHBondContact O-NH2 3.23Å; F531-R541 VanDerWaalsContact O-NH2 3.08Å; F531-I544 HydrophobicContact CB-CG2 4.34Å; F531-F545 HydrophobicContact CD2-CB 3.86Å; F531-F545 HydrophobicContact CE2-CB 3.74Å; F531-F545 AromaticContact CE2-CD2 3.98Å; F531-F545 HydrophobicContact CE2-CD2 4.02Å; F531-F545 HydrophobicContact CE2-CG 4.16Å; F531-F545 HydrophobicContact CZ-CD2 4.09Å; F531-L548 HydrophobicContact CB-CD1 4.28Å; F531-L548 HydrophobicContact CG-CD1 4.48Å; F531-I563 HydrophobicContact CD1-CD1 4.47Å; F531-I563 HydrophobicContact CE1-CD1 4.16Å; F531-I563 HydrophobicContact CE1-CG2 4.18Å; F531-I572 HydrophobicContact CE2-CG2 3.86Å; F531-I572 HydrophobicContact CZ-CG2 4.27Å; F531-V576 HydrophobicContact CE2-CG2 4.33Å; F531-V576 HydrophobicContact CZ-CG2 4.14Å
532	L	87.4	Confident	85.8	Confident	80.5 Å²	80.5	41.4 Å²	41.4	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-81	-19.2	179.8	-68.3	175.3	0	0	0	114	W528 I530 T534 I563	W528-L532 WeakPolarHBondContact O-CB 3.37Å; W528-L532 VanDerWaalsContact O-CG 3.26Å; W528-L532 WeakPolarHBondContact O-CG 3.23Å; W528-L532 PolarHBondContact O-N 3.12Å; W528-L532 VanDerWaalsContact O-N 3.12Å; I530-L532 PolarHBondContact O-N 3.04Å; L532-T534 PolarHBondContact O-N 3.25Å; L532-I563 HydrophobicContact CD2-CB 4.47Å; L532-I563 HydrophobicContact CD2-CD1 3.65Å; L532-I563 HydrophobicContact CD2-CG1 3.88Å; L532-I563 HydrophobicContact CD2-CG2 3.9Å; L532-I563 HydrophobicContact CG-CD1 4.45Å
533	N	85.9	Confident	86.2	Confident	47.5 Å²	47.5	35.5 Å²	35.5	25%	0.254	20%	0.195	S	C	.	.			trans	-74.1	116.5	-177.9	-174.3	-0.2	0	0	0	111	S529 I530 N535 E536 R541	S529-N533 WeakPolarHBondContact O-CB 3.43Å; S529-N533 PolarHBondContact O-N 3.44Å; I530-N533 PolarHBondContact O-N 3.1Å; I530-N533 VanDerWaalsContact O-N 3.14Å; N533-N535 VanDerWaalsContact C-N 3.26Å; N533-N535 PolarHBondContact O-N 3.43Å; N533-N535 WeakPolarHBondContact OD1-CB 3.42Å; N533-N535 PolarHBondContact OD1-N 3.25Å; N533-E536 HydrophobicContact CB-CG 3.75Å; N533-E536 PolarHBondContact ND2-OE1 3.46Å; N533-E536 PolarHBondContact O-N 3.1Å; N533-R541 VanDerWaalsContact O-CD 3.27Å; N533-R541 WeakPolarHBondContact O-CD 3.37Å; N533-R541 PolarHBondContact O-NE 3.05Å; N533-R541 VanDerWaalsContact O-NE 3.16Å
534	T	82.4	Confident	86.7	Confident	103.5 Å²	103.5	34.9 Å²	34.9	64%	0.635	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-14.9	179.4	51.7	0	0	0	0	114	L532 E536	L532-T534 PolarHBondContact O-N 3.25Å; T534-E536 VanDerWaalsContact C-N 3.26Å
535	N	82	Confident	87	Confident	143.5 Å²	143.5	33.3 Å²	33.3	77%	0.767	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.6	177.7	-61.6	-8.2	0	0	0	112.3	N533	N533-N535 VanDerWaalsContact C-N 3.26Å; N533-N535 PolarHBondContact O-N 3.43Å; N533-N535 WeakPolarHBondContact OD1-CB 3.42Å; N533-N535 PolarHBondContact OD1-N 3.25Å
536	E	83.5	Confident	87.2	Confident	15 Å²	15	29.4 Å²	29.4	7%	0.07	16%	0.163	C	C	.	.	S	Bend	trans	-85.1	149.7	178.1	-61.1	-68	178.9	0	0	111.4	H499 R507 I530 N533 T534 R541	H499-E536 IonicContact CE1-OE1 3.72Å; H499-E536 PolarHBondContact CE1-OE1 3.2Å; H499-E536 VanDerWaalsContact CE1-OE1 3.27Å; H499-E536 IonicContact ND1-OE1 3.41Å; R507-E536 IonicContact CZ-OE1 2.9Å; R507-E536 IonicContact CZ-OE2 3.62Å; R507-E536 IonicContact NH1-OE1 3.36Å; R507-E536 PolarHBondContact NH1-OE1 3.11Å; R507-E536 IonicContact NH1-OE2 3.66Å; R507-E536 PolarHBondContact NH1-OE2 3.23Å; R507-E536 VanDerWaalsContact NH2-CD 3.34Å; R507-E536 IonicContact NH2-OE1 2.96Å; R507-E536 PolarHBondContact NH2-OE1 3.03Å; R507-E536 IonicContact NH2-OE2 3.1Å; R507-E536 PolarHBondContact NH2-OE2 3.15Å; I530-E536 HydrophobicContact CG2-CG 4.17Å; N533-E536 HydrophobicContact CB-CG 3.75Å; N533-E536 PolarHBondContact ND2-OE1 3.46Å; N533-E536 PolarHBondContact O-N 3.1Å; T534-E536 VanDerWaalsContact C-N 3.26Å; E536-R541 HydrophobicContact CB-CG 3.76Å; E536-R541 VanDerWaalsContact O-CD 3.29Å; E536-R541 WeakPolarHBondContact O-CD 3.39Å
537	S	82.7	Confident	87.4	Confident	23 Å²	23	27.3 Å²	27.3	16%	0.161	15%	0.154	C	C	.	.			trans	-57.8	143.1	175.3	67.2	0	0	0	0	111.6	E539 L540 R541 E644	S537-E539 PolarHBondContact O-N 2.89Å; S537-L540 PolarHBondContact O-N 3.07Å; S537-L540 VanDerWaalsContact O-N 3.13Å; S537-L540 VanDerWaalsContact OG-CB 3.25Å; S537-L540 WeakPolarHBondContact OG-CB 3.38Å; S537-L540 PolarHBondContact OG-N 2.99Å; S537-L540 VanDerWaalsContact OG-N 3.16Å; S537-R541 VanDerWaalsContact O-CG 3.27Å; S537-R541 WeakPolarHBondContact O-CG 3.32Å; S537-R541 PolarHBondContact O-N 3.38Å; S537-E644 VanDerWaalsContact CB-OE1 3.28Å; S537-E644 WeakPolarHBondContact CB-OE1 3.47Å; S537-E644 WeakPolarHBondContact CB-OE2 3.38Å
538	N	86.6	Confident	87.3	Confident	5.5 Å²	5.5	27.2 Å²	27.2	3%	0.029	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-35.1	177	-70.9	-25.8	0	0	0	110.8	L540 R541 I542 D569 Q571 I572 E644 S645	N538-L540 PolarHBondContact O-N 3.36Å; N538-R541 PolarHBondContact O-N 3.19Å; N538-I542 VanDerWaalsContact O-CB 3.3Å; N538-I542 WeakPolarHBondContact O-CB 3.4Å; N538-I542 VanDerWaalsContact O-CG1 3.31Å; N538-I542 WeakPolarHBondContact O-CG1 3.09Å; N538-I542 PolarHBondContact O-N 2.88Å; N538-D569 PolarHBondContact ND2-OD2 3.05Å; N538-Q571 HydrophobicContact CB-CB 4.44Å; N538-I572 HydrophobicContact CB-CG1 4.32Å; N538-I572 WeakPolarHBondContact OD1-CD1 3.16Å; N538-E644 WeakPolarHBondContact CB-OE1 3.42Å; N538-E644 PolarHBondContact N-OE1 2.92Å; N538-E644 PolarHBondContact N-OE2 2.84Å; N538-E644 VanDerWaalsContact N-OE2 3.16Å; N538-E644 PolarHBondContact ND2-OE1 3.06Å; N538-S645 PolarHBondContact ND2-N 2.82Å; N538-S645 PolarHBondContact ND2-OG 2.96Å
539	E	85	Confident	87.3	Confident	9 Å²	9	26.6 Å²	26.6	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-45.2	174.5	-166.4	-174.7	166.8	0	0	112.8	L508 S537 T543 I642 E644 T652 Q674 R715 K716	L508-E539 HydrophobicContact CD2-CB 4.03Å; L508-E539 HydrophobicContact CD2-CG 3.82Å; S537-E539 PolarHBondContact O-N 2.89Å; E539-T543 VanDerWaalsContact O-CB 3.31Å; E539-T543 WeakPolarHBondContact O-CB 3.42Å; E539-T543 PolarHBondContact O-N 3.26Å; E539-T543 PolarHBondContact O-OG1 2.81Å; E539-I642 HydrophobicContact CB-CG2 4.34Å; E539-I642 HydrophobicContact CG-CG2 4.43Å; E539-E644 PolarHBondContact N-OE1 3.35Å; E539-E644 PolarHBondContact N-OE2 2.8Å; E539-T652 HydrophobicContact CG-CG2 3.97Å; E539-T652 WeakPolarHBondContact OE1-CG2 3.03Å; E539-T652 PolarHBondContact OE1-OG1 2.84Å; E539-Q674 PolarHBondContact OE1-NE2 3.49Å; E539-Q674 VanDerWaalsContact OE1-NE2 3.1Å; E539-R715 IonicContact OE1-CZ 3.32Å; E539-R715 IonicContact OE1-NH1 3.17Å; E539-R715 PolarHBondContact OE1-NH1 2.77Å; E539-R715 IonicContact OE1-NH2 2.73Å; E539-R715 PolarHBondContact OE1-NH2 2.83Å; E539-R715 IonicContact OE2-CZ 2.75Å; E539-R715 IonicContact OE2-NH1 2.67Å; E539-R715 PolarHBondContact OE2-NH1 3.36Å; E539-R715 IonicContact OE2-NH2 2.56Å; E539-K716 IonicContact OE2-NZ 2.91Å; E539-K716 PolarHBondContact OE2-NZ 3.31Å
540	L	85.9	Confident	87.1	Confident	1.5 Å²	1.5	27.9 Å²	27.9	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-67.9	-46.7	178.5	-179.2	61.9	0	0	0	110.3	R507 L508 I530 S537 N538 I542 T543 I544	R507-L540 HydrophobicContact CB-CD1 4.46Å; R507-L540 HydrophobicContact CB-CD2 4.35Å; L508-L540 VanDerWaalsContact CD2-CA 3.43Å; L508-L540 HydrophobicContact CD2-CB 3.64Å; L508-L540 HydrophobicContact CD2-CD1 4.03Å; L508-L540 HydrophobicContact CD2-CG 4.36Å; L508-L540 HydrophobicContact CG-CB 4.31Å; L508-L540 HydrophobicContact CG-CD1 4.32Å; I530-L540 HydrophobicContact CG2-CD2 3.93Å; I530-L540 HydrophobicContact CG2-CG 3.98Å; S537-L540 PolarHBondContact O-N 3.07Å; S537-L540 VanDerWaalsContact O-N 3.13Å; S537-L540 VanDerWaalsContact OG-CB 3.25Å; S537-L540 WeakPolarHBondContact OG-CB 3.38Å; S537-L540 PolarHBondContact OG-N 2.99Å; S537-L540 VanDerWaalsContact OG-N 3.16Å; N538-L540 PolarHBondContact O-N 3.36Å; L540-I542 VanDerWaalsContact C-N 3.32Å; L540-I542 PolarHBondContact O-N 3.07Å; L540-T543 WeakPolarHBondContact O-CB 3.33Å; L540-T543 PolarHBondContact O-N 3.12Å; L540-T543 VanDerWaalsContact O-N 3.11Å; L540-I544 HydrophobicContact CD1-CD1 4.38Å; L540-I544 HydrophobicContact CD1-CG1 4.14Å; L540-I544 HydrophobicContact CG-CG1 4.35Å; L540-I544 VanDerWaalsContact O-CG1 3.3Å; L540-I544 WeakPolarHBondContact O-CG1 3.33Å; L540-I544 PolarHBondContact O-N 3.16Å
541	R	90	Very high	86.9	Confident	4.5 Å²	4.5	30.1 Å²	30.1	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-42.5	-179.9	-64.6	172.6	70.2	-169.3	1.2	111.7	F531 N533 E536 S537 N538 I544 F545 I572	F531-R541 HydrophobicContact CD2-CB 4.46Å; F531-R541 WeakPolarHBondContact CD2-O 3.43Å; F531-R541 PolarHBondContact O-NE 2.89Å; F531-R541 PolarHBondContact O-NH2 3.23Å; F531-R541 VanDerWaalsContact O-NH2 3.08Å; N533-R541 VanDerWaalsContact O-CD 3.27Å; N533-R541 WeakPolarHBondContact O-CD 3.37Å; N533-R541 PolarHBondContact O-NE 3.05Å; N533-R541 VanDerWaalsContact O-NE 3.16Å; E536-R541 HydrophobicContact CB-CG 3.76Å; E536-R541 VanDerWaalsContact O-CD 3.29Å; E536-R541 WeakPolarHBondContact O-CD 3.39Å; S537-R541 VanDerWaalsContact O-CG 3.27Å; S537-R541 WeakPolarHBondContact O-CG 3.32Å; S537-R541 PolarHBondContact O-N 3.38Å; N538-R541 PolarHBondContact O-N 3.19Å; R541-I544 PolarHBondContact O-N 3.26Å; R541-F545 WeakPolarHBondContact O-CB 3.32Å; R541-F545 PolarHBondContact O-N 3.13Å; R541-I572 HydrophobicContact CB-CD1 3.79Å; R541-I572 HydrophobicContact CG-CD1 4.31Å
542	I	91	Very high	86.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-39.4	175.5	-74.4	165.9	0	0	0	111.6	N538 L540 F545 N546 I572 Y575 I642	N538-I542 VanDerWaalsContact O-CB 3.3Å; N538-I542 WeakPolarHBondContact O-CB 3.4Å; N538-I542 VanDerWaalsContact O-CG1 3.31Å; N538-I542 WeakPolarHBondContact O-CG1 3.09Å; N538-I542 PolarHBondContact O-N 2.88Å; L540-I542 VanDerWaalsContact C-N 3.32Å; L540-I542 PolarHBondContact O-N 3.07Å; I542-F545 WeakPolarHBondContact O-CB 3.38Å; I542-F545 PolarHBondContact O-N 3.31Å; I542-N546 PolarHBondContact O-N 3.16Å; I542-N546 PolarHBondContact O-ND2 2.96Å; I542-I572 HydrophobicContact CD1-CG1 4.46Å; I542-I572 HydrophobicContact CG1-CG1 4.34Å; I542-Y575 HydrophobicContact CB-CD1 4.42Å; I542-Y575 HydrophobicContact CD1-CD1 4.46Å; I542-Y575 HydrophobicContact CD1-CD2 4.09Å; I542-Y575 HydrophobicContact CD1-CG 3.91Å; I542-Y575 HydrophobicContact CG1-CD1 4.1Å; I542-Y575 HydrophobicContact CG1-CD2 4.34Å; I542-Y575 HydrophobicContact CG1-CG 3.94Å; I542-Y575 HydrophobicContact CG2-CD1 3.62Å; I542-Y575 HydrophobicContact CG2-CD2 3.83Å; I542-Y575 HydrophobicContact CG2-CE1 3.44Å; I542-Y575 VanDerWaalsContact CG2-CE1 3.44Å; I542-Y575 HydrophobicContact CG2-CE2 3.63Å; I542-Y575 HydrophobicContact CG2-CG 3.81Å; I542-Y575 VanDerWaalsContact CG2-CZ 3.46Å; I542-I642 HydrophobicContact CB-CD1 4.32Å; I542-I642 HydrophobicContact CD1-CG1 4.4Å; I542-I642 HydrophobicContact CD1-CG2 3.74Å; I542-I642 HydrophobicContact CG2-CD1 3.59Å; I542-I642 VanDerWaalsContact CG2-CD1 3.5Å; I542-I642 HydrophobicContact CG2-CG1 4.16Å
543	T	87.8	Confident	86.8	Confident	5.5 Å²	5.5	29.6 Å²	29.6	3%	0.034	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-50	175	-63.1	0	0	0	0	110.8	Q512 E539 L540 F545 N546 S547	Q512-T543 HydrophobicContact CB-CG2 4.31Å; Q512-T543 HydrophobicContact CG-CG2 3.52Å; E539-T543 VanDerWaalsContact O-CB 3.31Å; E539-T543 WeakPolarHBondContact O-CB 3.42Å; E539-T543 PolarHBondContact O-N 3.26Å; E539-T543 PolarHBondContact O-OG1 2.81Å; L540-T543 WeakPolarHBondContact O-CB 3.33Å; L540-T543 PolarHBondContact O-N 3.12Å; L540-T543 VanDerWaalsContact O-N 3.11Å; T543-F545 VanDerWaalsContact C-N 3.3Å; T543-F545 PolarHBondContact O-N 2.94Å; T543-N546 WeakPolarHBondContact O-CB 3.31Å; T543-N546 PolarHBondContact O-N 3.15Å; T543-N546 VanDerWaalsContact O-N 3.11Å; T543-S547 PolarHBondContact O-N 3.29Å; T543-S547 VanDerWaalsContact O-N 3.1Å; T543-S547 PolarHBondContact O-OG 2.4Å
544	I	89.8	Confident	86.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-36.6	178	-63.5	-56.1	0	0	0	112	L496 I514 L527 I530 F531 L540 R541 N546 S547 L548	L496-I544 HydrophobicContact CD1-CD1 4Å; L496-I544 HydrophobicContact CD2-CD1 4.16Å; I514-I544 HydrophobicContact CD1-CD1 4.4Å; L527-I544 HydrophobicContact CB-CG2 3.65Å; L527-I544 HydrophobicContact CD2-CD1 3.93Å; L527-I544 HydrophobicContact CD2-CG2 3.97Å; L527-I544 HydrophobicContact CG-CG2 4.32Å; L527-I544 VanDerWaalsContact O-CG2 3.24Å; L527-I544 WeakPolarHBondContact O-CG2 3.41Å; I530-I544 HydrophobicContact CB-CG1 4.41Å; I530-I544 HydrophobicContact CG2-CG1 3.9Å; F531-I544 HydrophobicContact CB-CG2 4.34Å; L540-I544 HydrophobicContact CD1-CD1 4.38Å; L540-I544 HydrophobicContact CD1-CG1 4.14Å; L540-I544 HydrophobicContact CG-CG1 4.35Å; L540-I544 VanDerWaalsContact O-CG1 3.3Å; L540-I544 WeakPolarHBondContact O-CG1 3.33Å; L540-I544 PolarHBondContact O-N 3.16Å; R541-I544 PolarHBondContact O-N 3.26Å; I544-N546 PolarHBondContact O-N 2.98Å; I544-S547 WeakPolarHBondContact O-CB 3.38Å; I544-S547 PolarHBondContact O-N 2.98Å; I544-L548 HydrophobicContact CG2-CD1 4.34Å; I544-L548 WeakPolarHBondContact O-CG 3.4Å; I544-L548 PolarHBondContact O-N 2.92Å
545	F	91.9	Very high	87.3	Confident	1 Å²	1	33.1 Å²	33.1	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-41.8	172.8	168.7	-102.7	0	0	0	112.7	F531 R541 I542 T543 S547 L548 I549 I560 Y575 V576 K579	F531-F545 HydrophobicContact CD2-CB 3.86Å; F531-F545 HydrophobicContact CE2-CB 3.74Å; F531-F545 AromaticContact CE2-CD2 3.98Å; F531-F545 HydrophobicContact CE2-CD2 4.02Å; F531-F545 HydrophobicContact CE2-CG 4.16Å; F531-F545 HydrophobicContact CZ-CD2 4.09Å; R541-F545 WeakPolarHBondContact O-CB 3.32Å; R541-F545 PolarHBondContact O-N 3.13Å; I542-F545 WeakPolarHBondContact O-CB 3.38Å; I542-F545 PolarHBondContact O-N 3.31Å; T543-F545 VanDerWaalsContact C-N 3.3Å; T543-F545 PolarHBondContact O-N 2.94Å; F545-S547 VanDerWaalsContact C-N 3.28Å; F545-S547 PolarHBondContact O-N 3.3Å; F545-L548 PolarHBondContact O-N 3.26Å; F545-I549 HydrophobicContact CD1-CD1 4.44Å; F545-I549 HydrophobicContact CD2-CD1 4.3Å; F545-I549 HydrophobicContact CD2-CG1 4.3Å; F545-I549 HydrophobicContact CE1-CD1 3.62Å; F545-I549 HydrophobicContact CE1-CG1 4.38Å; F545-I549 HydrophobicContact CE2-CD1 3.43Å; F545-I549 VanDerWaalsContact CE2-CD1 3.47Å; F545-I549 HydrophobicContact CE2-CG1 3.82Å; F545-I549 HydrophobicContact CZ-CD1 3.04Å; F545-I549 HydrophobicContact CZ-CG1 3.9Å; F545-I549 PolarHBondContact O-N 3.18Å; F545-I560 HydrophobicContact CE2-CD1 4.08Å; F545-I560 HydrophobicContact CE2-CG2 4.39Å; F545-Y575 AromaticContact CD1-CD1 3.92Å; F545-Y575 HydrophobicContact CD1-CD1 3.92Å; F545-Y575 AromaticContact CD1-CE1 3.84Å; F545-Y575 HydrophobicContact CD1-CE1 3.84Å; F545-Y575 AromaticContact CE1-CD1 3.91Å; F545-Y575 HydrophobicContact CE1-CD1 3.96Å; F545-Y575 AromaticContact CE1-CE1 3.88Å; F545-Y575 HydrophobicContact CE1-CE1 3.96Å; F545-V576 HydrophobicContact CD1-CG2 4.2Å; F545-V576 HydrophobicContact CD2-CG2 3.96Å; F545-V576 HydrophobicContact CE1-CB 4.35Å; F545-V576 HydrophobicContact CE1-CG2 3.97Å; F545-V576 HydrophobicContact CE2-CB 4.2Å; F545-V576 HydrophobicContact CE2-CG1 3.7Å; F545-V576 HydrophobicContact CE2-CG2 3.72Å; F545-V576 HydrophobicContact CG-CG2 4.16Å; F545-V576 HydrophobicContact CZ-CB 3.87Å; F545-V576 HydrophobicContact CZ-CG1 3.61Å; F545-V576 HydrophobicContact CZ-CG2 3.7Å; F545-K579 HydrophobicContact CE1-CB 4.07Å; F545-K579 HydrophobicContact CE1-CG 4.03Å; F545-K579 HydrophobicContact CZ-CB 4.46Å; F545-K579 HydrophobicContact CZ-CG 4.47Å
546	N	90.6	Very high	87.7	Confident	39 Å²	39	27.1 Å²	27.1	21%	0.209	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-38.3	175.2	-71.9	-43.3	0	0	0	111.5	I542 T543 I544 I549 K550 Y575	I542-N546 PolarHBondContact O-N 3.16Å; I542-N546 PolarHBondContact O-ND2 2.96Å; T543-N546 WeakPolarHBondContact O-CB 3.31Å; T543-N546 PolarHBondContact O-N 3.15Å; T543-N546 VanDerWaalsContact O-N 3.11Å; I544-N546 PolarHBondContact O-N 2.98Å; N546-I549 PolarHBondContact O-N 3.14Å; N546-K550 PolarHBondContact O-N 3.01Å; N546-Y575 PolarHBondContact ND2-OH 3.21Å; N546-Y575 WeakPolarHBondContact OD1-CE1 3.44Å; N546-Y575 PolarHBondContact OD1-OH 3.24Å
547	S	88.2	Confident	88.1	Confident	11 Å²	11	26.5 Å²	26.5	8%	0.077	14%	0.139	C	C	.	.	H	α-helix	trans	-65.5	-40.8	174.1	-52.1	0	0	0	0	112.7	G511 D515 T543 I544 F545 I549 K550	G511-S547 PolarHBondContact O-OG 3.29Å; D515-S547 WeakPolarHBondContact OD1-CA 3.4Å; D515-S547 WeakPolarHBondContact OD1-CB 3.24Å; D515-S547 PolarHBondContact OD1-N 3.04Å; D515-S547 PolarHBondContact OD1-OG 3.21Å; T543-S547 PolarHBondContact O-N 3.29Å; T543-S547 VanDerWaalsContact O-N 3.1Å; T543-S547 PolarHBondContact O-OG 2.4Å; I544-S547 WeakPolarHBondContact O-CB 3.38Å; I544-S547 PolarHBondContact O-N 2.98Å; F545-S547 VanDerWaalsContact C-N 3.28Å; F545-S547 PolarHBondContact O-N 3.3Å; S547-I549 VanDerWaalsContact C-N 3.34Å; S547-I549 PolarHBondContact O-N 2.81Å; S547-K550 WeakPolarHBondContact O-CB 3.15Å; S547-K550 PolarHBondContact O-N 3.11Å
548	L	88.2	Confident	88.5	Confident	1.5 Å²	1.5	31.6 Å²	31.6	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-37.9	175.6	-78.5	169.6	0	0	0	112.7	L527 W528 F531 I544 F545 K550	L527-L548 HydrophobicContact CB-CD1 4.26Å; L527-L548 HydrophobicContact CB-CD2 3.72Å; L527-L548 HydrophobicContact CB-CG 3.89Å; L527-L548 HydrophobicContact CD1-CD2 3.99Å; L527-L548 HydrophobicContact CD1-CG 4.22Å; L527-L548 HydrophobicContact CG-CD2 4.47Å; W528-L548 HydrophobicContact CD2-CD1 4.09Å; W528-L548 HydrophobicContact CD2-CD2 4.43Å; W528-L548 HydrophobicContact CE3-CD1 4.07Å; W528-L548 HydrophobicContact CH2-CD1 4.37Å; W528-L548 HydrophobicContact CZ2-CD1 4.4Å; W528-L548 HydrophobicContact CZ2-CD2 4.33Å; W528-L548 HydrophobicContact CZ3-CD1 4.2Å; F531-L548 HydrophobicContact CB-CD1 4.28Å; F531-L548 HydrophobicContact CG-CD1 4.48Å; I544-L548 HydrophobicContact CG2-CD1 4.34Å; I544-L548 WeakPolarHBondContact O-CG 3.4Å; I544-L548 PolarHBondContact O-N 2.92Å; F545-L548 PolarHBondContact O-N 3.26Å; L548-K550 VanDerWaalsContact C-N 3.34Å
549	I	88.2	Confident	88.7	Confident	4.5 Å²	4.5	35.3 Å²	35.3	2%	0.023	17%	0.174	C	C	.	.	H	α-helix	trans	-73.8	-23.4	-179.7	-76.1	-161.6	0	0	0	112.8	F545 N546 S547 C551 L552 I560 K579 L580 L583 L594	F545-I549 HydrophobicContact CD1-CD1 4.44Å; F545-I549 HydrophobicContact CD2-CD1 4.3Å; F545-I549 HydrophobicContact CD2-CG1 4.3Å; F545-I549 HydrophobicContact CE1-CD1 3.62Å; F545-I549 HydrophobicContact CE1-CG1 4.38Å; F545-I549 HydrophobicContact CE2-CD1 3.43Å; F545-I549 VanDerWaalsContact CE2-CD1 3.47Å; F545-I549 HydrophobicContact CE2-CG1 3.82Å; F545-I549 HydrophobicContact CZ-CD1 3.04Å; F545-I549 HydrophobicContact CZ-CG1 3.9Å; F545-I549 PolarHBondContact O-N 3.18Å; N546-I549 PolarHBondContact O-N 3.14Å; S547-I549 VanDerWaalsContact C-N 3.34Å; S547-I549 PolarHBondContact O-N 2.81Å; I549-C551 PolarHBondContact O-N 3.07Å; I549-C551 VanDerWaalsContact O-N 3.16Å; I549-L552 HydrophobicContact CG1-CD1 4.3Å; I549-L552 WeakPolarHBondContact O-CB 3.23Å; I549-L552 PolarHBondContact O-N 3.08Å; I549-I560 HydrophobicContact CD1-CD1 4.4Å; I549-I560 HydrophobicContact CG1-CD1 4.28Å; I549-K579 HydrophobicContact CD1-CG 4.36Å; I549-L580 HydrophobicContact CD1-CD2 4.11Å; I549-L583 HydrophobicContact CG2-CD1 4.22Å; I549-L594 HydrophobicContact CG2-CD1 4.36Å; I549-L594 HydrophobicContact CG2-CD2 4.29Å; I549-L594 WeakPolarHBondContact O-CD2 3.42Å
550	K	84.1	Confident	89.1	Confident	84.5 Å²	84.5	35 Å²	35	37%	0.367	17%	0.173	S	C	.	.	H	α-helix	trans	-50.1	-44.4	-179.9	-178.1	-177.3	171.7	-173.9	0	112.5	D515 F517 N546 S547 L548	D515-K550 HydrophobicContact CB-CD 4.11Å; D515-K550 WeakPolarHBondContact O-CD 3.05Å; D515-K550 VanDerWaalsContact O-CE 3.28Å; D515-K550 WeakPolarHBondContact O-CE 3.38Å; D515-K550 PolarHBondContact O-NZ 3.09Å; F517-K550 PolarHBondContact O-NZ 3.06Å; N546-K550 PolarHBondContact O-N 3.01Å; S547-K550 WeakPolarHBondContact O-CB 3.15Å; S547-K550 PolarHBondContact O-N 3.11Å; L548-K550 VanDerWaalsContact C-N 3.34Å
551	C	83.6	Confident	89.3	Confident	49.5 Å²	49.5	36.1 Å²	36.1	33%	0.334	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	76.8	173.9	-71.9	0	0	0	0	110.1	C519 I549 T553 K556	C519-C551 HydrophobicContact CB-CB 3.67Å; C519-C551 WeakPolarHBondContact CB-SG 3.41Å; C519-C551 WeakPolarHBondContact SG-CB 3.37Å; C519-C551 CovalentContact SG-SG 2.02Å; C519-C551 PolarHBondContact SG-SG 3.22Å; I549-C551 PolarHBondContact O-N 3.07Å; I549-C551 VanDerWaalsContact O-N 3.16Å; C551-T553 PolarHBondContact O-N 3.02Å; C551-K556 WeakPolarHBondContact O-CD 3.47Å; C551-K556 PolarHBondContact O-NZ 3.07Å; C551-K556 VanDerWaalsContact O-NZ 3.15Å
552	L	87.5	Confident	89.2	Confident	6.5 Å²	6.5	40.3 Å²	40.3	3%	0.034	20%	0.202	C	C	.	.			trans	-80	114	-176.2	-168	66	0	0	0	111.4	I549 K556 I557 I560 L594 N597 V598	I549-L552 HydrophobicContact CG1-CD1 4.3Å; I549-L552 WeakPolarHBondContact O-CB 3.23Å; I549-L552 PolarHBondContact O-N 3.08Å; L552-K556 HydrophobicContact CD1-CB 4.16Å; L552-I557 HydrophobicContact CD1-CD1 4.42Å; L552-I557 HydrophobicContact CD1-CG1 3.56Å; L552-I557 HydrophobicContact CD2-CD1 3.66Å; L552-I557 HydrophobicContact CD2-CG1 3.64Å; L552-I557 HydrophobicContact CG-CD1 3.77Å; L552-I557 HydrophobicContact CG-CG1 3.47Å; L552-I557 VanDerWaalsContact CG-CG1 3.47Å; L552-I560 HydrophobicContact CD1-CD1 4.07Å; L552-L594 HydrophobicContact CB-CD2 3.7Å; L552-L594 HydrophobicContact CD2-CD2 4.49Å; L552-N597 HydrophobicContact CD2-CB 4.41Å; L552-N597 PolarHBondContact O-ND2 2.87Å; L552-V598 HydrophobicContact CD2-CG2 3.4Å; L552-V598 VanDerWaalsContact CD2-CG2 3.41Å
553	T	88.3	Confident	89.1	Confident	66 Å²	66	40.9 Å²	40.9	41%	0.405	21%	0.205	S	C	.	.			trans	-102	161.8	172.3	62.6	0	0	0	0	111.2	C551 E555 K556 I557	C551-T553 PolarHBondContact O-N 3.02Å; T553-E555 PolarHBondContact O-N 3.06Å; T553-K556 PolarHBondContact O-N 3.08Å; T553-K556 VanDerWaalsContact O-N 3.07Å; T553-K556 WeakPolarHBondContact OG1-CG 3.47Å; T553-K556 PolarHBondContact OG1-N 2.93Å; T553-I557 PolarHBondContact O-N 2.94Å
554	D	88.6	Confident	89	Confident	61.5 Å²	61.5	41 Å²	41	33%	0.329	21%	0.205	S	C	.	.	H	α-helix	trans	-57.2	-35.8	177.4	-73.7	-18.5	0	0	0	112	I557 K558 K600	D554-I557 PolarHBondContact O-N 3.22Å; D554-K558 WeakPolarHBondContact O-CG 3.32Å; D554-K558 PolarHBondContact O-N 2.9Å; D554-K558 VanDerWaalsContact O-N 3.08Å; D554-K600 VanDerWaalsContact CG-NZ 3.31Å; D554-K600 IonicContact OD1-NZ 3.21Å; D554-K600 PolarHBondContact OD1-NZ 2.91Å; D554-K600 IonicContact OD2-NZ 2.95Å; D554-K600 PolarHBondContact OD2-NZ 2.95Å
555	E	89.5	Confident	88.5	Confident	162 Å²	162	45.2 Å²	45.2	76%	0.757	23%	0.234	S	C	*	.	H	α-helix	trans	-64.8	-43.4	174.7	-66.1	-175.6	167.3	0	0	112.5	T553 I557 K558 K559	T553-E555 PolarHBondContact O-N 3.06Å; E555-I557 PolarHBondContact O-N 2.76Å; E555-K558 PolarHBondContact O-N 2.92Å; E555-K559 WeakPolarHBondContact O-CB 3.24Å; E555-K559 PolarHBondContact O-N 2.9Å
556	K	91.3	Very high	87.9	Confident	18.5 Å²	18.5	51.4 Å²	51.4	8%	0.08	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-43.1	176.7	-73.5	-178.1	-179.8	-175.4	0	110.9	D524 W528 C551 L552 T553 K559 I560	D524-K556 IonicContact OD1-NZ 3.88Å; D524-K556 PolarHBondContact OD1-NZ 2.9Å; D524-K556 WeakPolarHBondContact OD2-CE 3.22Å; D524-K556 IonicContact OD2-NZ 3.33Å; D524-K556 PolarHBondContact OD2-NZ 3.03Å; W528-K556 HydrophobicContact CZ2-CB 4.32Å; W528-K556 HydrophobicContact CZ2-CG 4.23Å; C551-K556 WeakPolarHBondContact O-CD 3.47Å; C551-K556 PolarHBondContact O-NZ 3.07Å; C551-K556 VanDerWaalsContact O-NZ 3.15Å; L552-K556 HydrophobicContact CD1-CB 4.16Å; T553-K556 PolarHBondContact O-N 3.08Å; T553-K556 VanDerWaalsContact O-N 3.07Å; T553-K556 WeakPolarHBondContact OG1-CG 3.47Å; T553-K556 PolarHBondContact OG1-N 2.93Å; K556-K559 PolarHBondContact O-N 3.04Å; K556-I560 VanDerWaalsContact O-CG1 3.27Å; K556-I560 WeakPolarHBondContact O-CG1 3.17Å; K556-I560 PolarHBondContact O-N 3.19Å
557	I	91.4	Very high	86.7	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-49.8	178.9	-61.8	169.4	0	0	0	111.1	L552 T553 D554 E555 K559 I560 L561 N597 Y601	L552-I557 HydrophobicContact CD1-CD1 4.42Å; L552-I557 HydrophobicContact CD1-CG1 3.56Å; L552-I557 HydrophobicContact CD2-CD1 3.66Å; L552-I557 HydrophobicContact CD2-CG1 3.64Å; L552-I557 HydrophobicContact CG-CD1 3.77Å; L552-I557 HydrophobicContact CG-CG1 3.47Å; L552-I557 VanDerWaalsContact CG-CG1 3.47Å; T553-I557 PolarHBondContact O-N 2.94Å; D554-I557 PolarHBondContact O-N 3.22Å; E555-I557 PolarHBondContact O-N 2.76Å; I557-K559 PolarHBondContact O-N 3.03Å; I557-I560 WeakPolarHBondContact O-CB 2.83Å; I557-I560 PolarHBondContact O-N 2.86Å; I557-I560 VanDerWaalsContact O-N 3.09Å; I557-L561 HydrophobicContact CG2-CD1 3.89Å; I557-L561 HydrophobicContact CG2-CG 4.16Å; I557-L561 WeakPolarHBondContact O-CG 3.23Å; I557-L561 PolarHBondContact O-N 2.96Å; I557-N597 HydrophobicContact CD1-CB 4.04Å; I557-N597 VanDerWaalsContact CD1-O 3.27Å; I557-N597 WeakPolarHBondContact CD1-O 3.3Å; I557-Y601 HydrophobicContact CB-CD2 4.1Å; I557-Y601 HydrophobicContact CB-CE2 3.88Å; I557-Y601 HydrophobicContact CD1-CD2 3.9Å; I557-Y601 HydrophobicContact CD1-CE2 3.81Å; I557-Y601 HydrophobicContact CG1-CE2 4.45Å; I557-Y601 HydrophobicContact CG2-CD1 4.25Å; I557-Y601 HydrophobicContact CG2-CD2 3.4Å; I557-Y601 VanDerWaalsContact CG2-CD2 3.42Å; I557-Y601 HydrophobicContact CG2-CE1 4.47Å; I557-Y601 HydrophobicContact CG2-CE2 3.66Å; I557-Y601 HydrophobicContact CG2-CG 3.71Å
558	K	91.3	Very high	85.9	Confident	131 Å²	131	56.2 Å²	56.2	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-56.9	-40.6	177.3	-73.1	177.3	179.6	177	0	111.7	D554 E555 L561 N562 Y601	D554-K558 WeakPolarHBondContact O-CG 3.32Å; D554-K558 PolarHBondContact O-N 2.9Å; D554-K558 VanDerWaalsContact O-N 3.08Å; E555-K558 PolarHBondContact O-N 2.92Å; K558-L561 PolarHBondContact O-N 2.92Å; K558-N562 WeakPolarHBondContact O-CB 3.23Å; K558-N562 PolarHBondContact O-N 3.05Å; K558-Y601 WeakPolarHBondContact CE-OH 3.24Å; K558-Y601 HydrophobicContact CG-CE1 3.92Å; K558-Y601 WeakPolarHBondContact CG-OH 3.45Å
559	K	91.4	Very high	85.7	Confident	83 Å²	83	58.6 Å²	58.6	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-44.6	175.6	-169.4	170.2	175.1	-174.6	0	111.6	W528 E555 K556 I557 N562 I563	W528-K559 VanDerWaalsContact CD1-NZ 3.3Å; W528-K559 HydrophobicContact CD2-CD 3.99Å; W528-K559 VanDerWaalsContact CD2-NZ 3.27Å; W528-K559 HydrophobicContact CE3-CD 4.25Å; W528-K559 HydrophobicContact CH2-CB 4.17Å; W528-K559 HydrophobicContact CH2-CD 3.97Å; W528-K559 HydrophobicContact CH2-CG 3.91Å; W528-K559 HydrophobicContact CZ2-CB 4.25Å; W528-K559 HydrophobicContact CZ2-CD 3.69Å; W528-K559 HydrophobicContact CZ2-CG 4.09Å; W528-K559 HydrophobicContact CZ3-CD 4.25Å; W528-K559 HydrophobicContact CZ3-CG 4.2Å; E555-K559 WeakPolarHBondContact O-CB 3.24Å; E555-K559 PolarHBondContact O-N 2.9Å; K556-K559 PolarHBondContact O-N 3.04Å; I557-K559 PolarHBondContact O-N 3.03Å; K559-N562 PolarHBondContact O-N 2.82Å; K559-I563 HydrophobicContact CG-CD1 3.97Å; K559-I563 VanDerWaalsContact O-CD1 3.31Å; K559-I563 WeakPolarHBondContact O-CD1 3.2Å; K559-I563 WeakPolarHBondContact O-CG1 3.44Å; K559-I563 PolarHBondContact O-N 2.95Å
560	I	92.1	Very high	85.5	Confident	3.5 Å²	3.5	62.9 Å²	62.9	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-48.4	175.5	-66	165.4	0	0	0	110.9	W528 F545 I549 L552 K556 I557 N562 I563 L564 V576 L580	W528-I560 HydrophobicContact CH2-CG1 3.81Å; W528-I560 HydrophobicContact CZ3-CG1 4.49Å; F545-I560 HydrophobicContact CE2-CD1 4.08Å; F545-I560 HydrophobicContact CE2-CG2 4.39Å; I549-I560 HydrophobicContact CD1-CD1 4.4Å; I549-I560 HydrophobicContact CG1-CD1 4.28Å; L552-I560 HydrophobicContact CD1-CD1 4.07Å; K556-I560 VanDerWaalsContact O-CG1 3.27Å; K556-I560 WeakPolarHBondContact O-CG1 3.17Å; K556-I560 PolarHBondContact O-N 3.19Å; I557-I560 WeakPolarHBondContact O-CB 2.83Å; I557-I560 PolarHBondContact O-N 2.86Å; I557-I560 VanDerWaalsContact O-N 3.09Å; I560-N562 VanDerWaalsContact C-N 3.33Å; I560-N562 PolarHBondContact O-N 2.97Å; I560-I563 WeakPolarHBondContact O-CB 3.37Å; I560-I563 PolarHBondContact O-N 3.01Å; I560-I563 VanDerWaalsContact O-N 3.13Å; I560-L564 HydrophobicContact CG2-CD1 4.05Å; I560-L564 HydrophobicContact CG2-CG 4.34Å; I560-L564 WeakPolarHBondContact O-CG 3.3Å; I560-L564 PolarHBondContact O-N 3.04Å; I560-V576 HydrophobicContact CG2-CG1 3.74Å; I560-L580 HydrophobicContact CG2-CD1 4.07Å
561	L	89.6	Confident	85.7	Confident	25 Å²	25	59.7 Å²	59.7	13%	0.131	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-41.1	179.9	-67.5	174.7	0	0	0	111.9	I557 K558 I563 L564 S565 Y601 E604 I605 L608	I557-L561 HydrophobicContact CG2-CD1 3.89Å; I557-L561 HydrophobicContact CG2-CG 4.16Å; I557-L561 WeakPolarHBondContact O-CG 3.23Å; I557-L561 PolarHBondContact O-N 2.96Å; K558-L561 PolarHBondContact O-N 2.92Å; L561-I563 VanDerWaalsContact C-N 3.31Å; L561-I563 PolarHBondContact O-N 3.05Å; L561-L564 HydrophobicContact CD2-CD1 4.42Å; L561-L564 PolarHBondContact O-N 2.89Å; L561-S565 PolarHBondContact O-N 2.99Å; L561-S565 VanDerWaalsContact O-N 3.11Å; L561-Y601 HydrophobicContact CD1-CD1 3.64Å; L561-Y601 HydrophobicContact CD1-CE1 4.36Å; L561-Y601 HydrophobicContact CD1-CG 3.98Å; L561-E604 HydrophobicContact CD1-CB 4.32Å; L561-E604 HydrophobicContact CD2-CB 4.41Å; L561-I605 HydrophobicContact CD2-CG1 4.09Å; L561-L608 HydrophobicContact CD2-CD1 4.03Å
562	N	89.3	Confident	85.9	Confident	92.5 Å²	92.5	57.3 Å²	57.3	50%	0.495	30%	0.302	S	S	.	.	H	α-helix	trans	-66.4	-31.4	174.1	-171.5	22.9	0	0	0	112.6	K558 K559 I560 S565 K566	K558-N562 WeakPolarHBondContact O-CB 3.23Å; K558-N562 PolarHBondContact O-N 3.05Å; K559-N562 PolarHBondContact O-N 2.82Å; I560-N562 VanDerWaalsContact C-N 3.33Å; I560-N562 PolarHBondContact O-N 2.97Å; N562-S565 PolarHBondContact O-N 3.39Å; N562-S565 PolarHBondContact O-OG 3.37Å; N562-K566 PolarHBondContact O-N 3.01Å
563	I	87.7	Confident	86	Confident	12.5 Å²	12.5	59.2 Å²	59.2	6%	0.064	31%	0.309	C	S	.	.	H	α-helix	trans	-74.2	-38.2	175.3	-65.1	159.5	0	0	0	110.6	W528 F531 L532 K559 I560 L561 S565 K566 L568	W528-I563 HydrophobicContact CE3-CD1 4.07Å; W528-I563 HydrophobicContact CH2-CD1 4.16Å; W528-I563 HydrophobicContact CZ3-CD1 3.4Å; W528-I563 VanDerWaalsContact CZ3-CD1 3.44Å; F531-I563 HydrophobicContact CD1-CD1 4.47Å; F531-I563 HydrophobicContact CE1-CD1 4.16Å; F531-I563 HydrophobicContact CE1-CG2 4.18Å; L532-I563 HydrophobicContact CD2-CB 4.47Å; L532-I563 HydrophobicContact CD2-CD1 3.65Å; L532-I563 HydrophobicContact CD2-CG1 3.88Å; L532-I563 HydrophobicContact CD2-CG2 3.9Å; L532-I563 HydrophobicContact CG-CD1 4.45Å; K559-I563 HydrophobicContact CG-CD1 3.97Å; K559-I563 VanDerWaalsContact O-CD1 3.31Å; K559-I563 WeakPolarHBondContact O-CD1 3.2Å; K559-I563 WeakPolarHBondContact O-CG1 3.44Å; K559-I563 PolarHBondContact O-N 2.95Å; I560-I563 WeakPolarHBondContact O-CB 3.37Å; I560-I563 PolarHBondContact O-N 3.01Å; I560-I563 VanDerWaalsContact O-N 3.13Å; L561-I563 VanDerWaalsContact C-N 3.31Å; L561-I563 PolarHBondContact O-N 3.05Å; I563-S565 PolarHBondContact O-N 2.74Å; I563-K566 WeakPolarHBondContact O-CA 3.17Å; I563-K566 WeakPolarHBondContact O-CB 3.26Å; I563-K566 PolarHBondContact O-N 2.84Å; I563-L568 HydrophobicContact CG2-CD1 3.78Å; I563-L568 HydrophobicContact CG2-CD2 3.78Å; I563-L568 HydrophobicContact CG2-CG 4.01Å
564	L	85.9	Confident	86	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-27.3	175.5	-74.8	172.7	0	0	0	113.4	I560 L561 K566 L568 R573 V576 I577 L580 L608	I560-L564 HydrophobicContact CG2-CD1 4.05Å; I560-L564 HydrophobicContact CG2-CG 4.34Å; I560-L564 WeakPolarHBondContact O-CG 3.3Å; I560-L564 PolarHBondContact O-N 3.04Å; L561-L564 HydrophobicContact CD2-CD1 4.42Å; L561-L564 PolarHBondContact O-N 2.89Å; L564-K566 VanDerWaalsContact C-N 3.29Å; L564-L568 HydrophobicContact CD2-CD1 4.07Å; L564-R573 HydrophobicContact CD2-CG 4.17Å; L564-V576 HydrophobicContact CD1-CG1 3.79Å; L564-V576 HydrophobicContact CD2-CB 3.99Å; L564-V576 HydrophobicContact CD2-CG1 3.7Å; L564-V576 HydrophobicContact CG-CG1 4.01Å; L564-I577 HydrophobicContact CD1-CG1 4.21Å; L564-I577 HydrophobicContact CD2-CD1 4.35Å; L564-I577 HydrophobicContact CD2-CG1 4Å; L564-L580 HydrophobicContact CD1-CD1 4.17Å; L564-L608 HydrophobicContact CB-CD1 4.28Å; L564-L608 HydrophobicContact CD1-CD1 3.87Å
565	S	79.3	Confident	86.2	Confident	88.5 Å²	88.5	53.4 Å²	53.4	62%	0.619	28%	0.275	S	S	*	.	H	α-helix	trans	-75.5	-17.5	172.7	71.9	0	0	0	0	113.2	L561 N562 I563	L561-S565 PolarHBondContact O-N 2.99Å; L561-S565 VanDerWaalsContact O-N 3.11Å; N562-S565 PolarHBondContact O-N 3.39Å; N562-S565 PolarHBondContact O-OG 3.37Å; I563-S565 PolarHBondContact O-N 2.74Å
566	K	79.6	Confident	86.3	Confident	132 Å²	132	45.7 Å²	45.7	57%	0.574	24%	0.239	S	C	*	.	S	Bend	trans	-87.9	164.7	173.4	-64.5	179.2	-179.7	-176.1	0	110.9	N562 I563 L564 L568	N562-K566 PolarHBondContact O-N 3.01Å; I563-K566 WeakPolarHBondContact O-CA 3.17Å; I563-K566 WeakPolarHBondContact O-CB 3.26Å; I563-K566 PolarHBondContact O-N 2.84Å; L564-K566 VanDerWaalsContact C-N 3.29Å; K566-L568 PolarHBondContact O-N 3.03Å; K566-L568 VanDerWaalsContact O-N 3.08Å
567	S	64.7	Low	86.3	Confident	124 Å²	124	44.9 Å²	44.9	87%	0.867	24%	0.236	S	C	*	.			trans	-69.2	101.3	176.3	57.5	0	0	0	0	111.2
568	L	72.7	Confident	86.3	Confident	27.5 Å²	27.5	45.4 Å²	45.4	14%	0.144	24%	0.239	C	C	.	.			trans	-101.5	160.8	168.5	-73.9	173.2	0	0	0	110.6	I563 L564 K566 N570 R573	I563-L568 HydrophobicContact CG2-CD1 3.78Å; I563-L568 HydrophobicContact CG2-CD2 3.78Å; I563-L568 HydrophobicContact CG2-CG 4.01Å; L564-L568 HydrophobicContact CD2-CD1 4.07Å; K566-L568 PolarHBondContact O-N 3.03Å; K566-L568 VanDerWaalsContact O-N 3.08Å; L568-N570 PolarHBondContact O-N 3.03Å; L568-R573 HydrophobicContact CB-CB 4.25Å
569	D	83.3	Confident	86.3	Confident	50.5 Å²	50.5	40.3 Å²	40.3	27%	0.27	22%	0.217	S	C	.	.			trans	-56.8	135.8	165.5	-171.5	-48.4	0	0	0	109.4	N538 Q571 I572 R573 S645	N538-D569 PolarHBondContact ND2-OD2 3.05Å; D569-Q571 PolarHBondContact O-N 2.8Å; D569-Q571 WeakPolarHBondContact OD1-CB 3.48Å; D569-Q571 WeakPolarHBondContact OD1-CG 3.34Å; D569-Q571 PolarHBondContact OD1-N 2.78Å; D569-I572 HydrophobicContact CB-CD1 4.38Å; D569-I572 HydrophobicContact CB-CG1 4.48Å; D569-I572 PolarHBondContact O-N 2.84Å; D569-I572 VanDerWaalsContact O-N 3.13Å; D569-R573 WeakPolarHBondContact O-CB 3.31Å; D569-R573 PolarHBondContact O-N 3.24Å; D569-S645 PolarHBondContact OD2-OG 3.14Å
570	N	84.7	Confident	86.4	Confident	94.5 Å²	94.5	36.4 Å²	36.4	51%	0.505	20%	0.201	S	C	.	.	H	α-helix	trans	-54	-35.1	179	-74.5	-25.5	0	0	0	112.7	L568 S574 F616	L568-N570 PolarHBondContact O-N 3.03Å; N570-S574 VanDerWaalsContact O-CB 3.23Å; N570-S574 WeakPolarHBondContact O-CB 3.26Å; N570-S574 PolarHBondContact O-N 3.3Å; N570-F616 HydrophobicContact CB-CE2 3.85Å; N570-F616 HydrophobicContact CB-CZ 3.78Å; N570-F616 WeakPolarHBondContact O-CZ 3.47Å
571	Q	87.1	Confident	86.4	Confident	17.5 Å²	17.5	38.5 Å²	38.5	8%	0.082	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-49.2	177.7	-63.6	-57.5	-19.9	0	0	111.4	N538 D569 Y575 N620 S621 Y643	N538-Q571 HydrophobicContact CB-CB 4.44Å; D569-Q571 PolarHBondContact O-N 2.8Å; D569-Q571 WeakPolarHBondContact OD1-CB 3.48Å; D569-Q571 WeakPolarHBondContact OD1-CG 3.34Å; D569-Q571 PolarHBondContact OD1-N 2.78Å; Q571-Y575 PolarHBondContact O-N 3.37Å; Q571-Y575 VanDerWaalsContact O-N 3.09Å; Q571-N620 PolarHBondContact NE2-OD1 2.94Å; Q571-S621 WeakPolarHBondContact O-CB 3.34Å; Q571-S621 PolarHBondContact OE1-OG 2.91Å; Q571-S621 VanDerWaalsContact OE1-OG 3.06Å; Q571-Y643 WeakPolarHBondContact CG-O 3.23Å
572	I	89.4	Confident	86.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.4	-44.8	-179.5	-62.8	173.8	0	0	0	110.4	F531 N538 R541 I542 D569 S574 Y575 V576	F531-I572 HydrophobicContact CE2-CG2 3.86Å; F531-I572 HydrophobicContact CZ-CG2 4.27Å; N538-I572 HydrophobicContact CB-CG1 4.32Å; N538-I572 WeakPolarHBondContact OD1-CD1 3.16Å; R541-I572 HydrophobicContact CB-CD1 3.79Å; R541-I572 HydrophobicContact CG-CD1 4.31Å; I542-I572 HydrophobicContact CD1-CG1 4.46Å; I542-I572 HydrophobicContact CG1-CG1 4.34Å; D569-I572 HydrophobicContact CB-CD1 4.38Å; D569-I572 HydrophobicContact CB-CG1 4.48Å; D569-I572 PolarHBondContact O-N 2.84Å; D569-I572 VanDerWaalsContact O-N 3.13Å; I572-S574 VanDerWaalsContact C-N 3.29Å; I572-S574 PolarHBondContact O-N 3.23Å; I572-Y575 PolarHBondContact O-N 3.2Å; I572-Y575 VanDerWaalsContact O-N 3.15Å; I572-V576 HydrophobicContact CG2-CG2 4.05Å; I572-V576 WeakPolarHBondContact O-CB 3.38Å; I572-V576 VanDerWaalsContact O-CG2 3.27Å; I572-V576 WeakPolarHBondContact O-CG2 3.3Å; I572-V576 PolarHBondContact O-N 3.39Å
573	R	88.8	Confident	86.5	Confident	47 Å²	47	33.4 Å²	33.4	18%	0.177	18%	0.183	C	C	.	.	H	α-helix	trans	-57.2	-44.8	178.5	-174.8	174.2	175.1	-76.4	-7.3	111.1	L564 L568 D569 I577 N612	L564-R573 HydrophobicContact CD2-CG 4.17Å; L568-R573 HydrophobicContact CB-CB 4.25Å; D569-R573 WeakPolarHBondContact O-CB 3.31Å; D569-R573 PolarHBondContact O-N 3.24Å; R573-I577 HydrophobicContact CG-CD1 3.81Å; R573-I577 WeakPolarHBondContact O-CB 3.35Å; R573-I577 VanDerWaalsContact O-CG1 3.31Å; R573-I577 WeakPolarHBondContact O-CG1 3.21Å; R573-I577 PolarHBondContact O-N 3.05Å; R573-I577 VanDerWaalsContact O-N 3.12Å; R573-N612 PolarHBondContact NH1-OD1 2.93Å; R573-N612 PolarHBondContact NH2-OD1 3.3Å
574	S	89	Confident	86.6	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-46.5	175.7	-175.4	0	0	0	0	112.4	N570 I572 S578 F616 N620 S621	N570-S574 VanDerWaalsContact O-CB 3.23Å; N570-S574 WeakPolarHBondContact O-CB 3.26Å; N570-S574 PolarHBondContact O-N 3.3Å; I572-S574 VanDerWaalsContact C-N 3.29Å; I572-S574 PolarHBondContact O-N 3.23Å; S574-S578 WeakPolarHBondContact O-CB 3.28Å; S574-S578 PolarHBondContact O-N 3.05Å; S574-S578 PolarHBondContact O-OG 3.33Å; S574-F616 WeakPolarHBondContact OG-CE1 3.31Å; S574-N620 WeakPolarHBondContact OG-CB 3.27Å; S574-S621 CarbonylContact C-O 3.56Å; S574-S621 VanDerWaalsContact CB-O 3.22Å; S574-S621 WeakPolarHBondContact CB-O 3.24Å; S574-S621 PolarHBondContact OG-O 3.41Å
575	Y	91.7	Very high	86.6	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-48.1	-180	-171.6	-84.9	0	0	0	112.2	I542 F545 N546 Q571 I572 I577 S578 K579 S621 T640 I642	I542-Y575 HydrophobicContact CB-CD1 4.42Å; I542-Y575 HydrophobicContact CD1-CD1 4.46Å; I542-Y575 HydrophobicContact CD1-CD2 4.09Å; I542-Y575 HydrophobicContact CD1-CG 3.91Å; I542-Y575 HydrophobicContact CG1-CD1 4.1Å; I542-Y575 HydrophobicContact CG1-CD2 4.34Å; I542-Y575 HydrophobicContact CG1-CG 3.94Å; I542-Y575 HydrophobicContact CG2-CD1 3.62Å; I542-Y575 HydrophobicContact CG2-CD2 3.83Å; I542-Y575 HydrophobicContact CG2-CE1 3.44Å; I542-Y575 VanDerWaalsContact CG2-CE1 3.44Å; I542-Y575 HydrophobicContact CG2-CE2 3.63Å; I542-Y575 HydrophobicContact CG2-CG 3.81Å; I542-Y575 VanDerWaalsContact CG2-CZ 3.46Å; F545-Y575 AromaticContact CD1-CD1 3.92Å; F545-Y575 HydrophobicContact CD1-CD1 3.92Å; F545-Y575 AromaticContact CD1-CE1 3.84Å; F545-Y575 HydrophobicContact CD1-CE1 3.84Å; F545-Y575 AromaticContact CE1-CD1 3.91Å; F545-Y575 HydrophobicContact CE1-CD1 3.96Å; F545-Y575 AromaticContact CE1-CE1 3.88Å; F545-Y575 HydrophobicContact CE1-CE1 3.96Å; N546-Y575 PolarHBondContact ND2-OH 3.21Å; N546-Y575 WeakPolarHBondContact OD1-CE1 3.44Å; N546-Y575 PolarHBondContact OD1-OH 3.24Å; Q571-Y575 PolarHBondContact O-N 3.37Å; Q571-Y575 VanDerWaalsContact O-N 3.09Å; I572-Y575 PolarHBondContact O-N 3.2Å; I572-Y575 VanDerWaalsContact O-N 3.15Å; Y575-I577 PolarHBondContact O-N 3.34Å; Y575-S578 WeakPolarHBondContact CA-OG 3.46Å; Y575-S578 PolarHBondContact O-N 3.15Å; Y575-S578 PolarHBondContact O-OG 2.81Å; Y575-K579 HydrophobicContact CE1-CB 4.45Å; Y575-K579 VanDerWaalsContact O-CB 3.32Å; Y575-K579 WeakPolarHBondContact O-CB 3.43Å; Y575-K579 PolarHBondContact O-N 3.33Å; Y575-S621 PolarHBondContact N-O 3.03Å; Y575-T640 HydrophobicContact CE2-CG2 3.63Å; Y575-T640 WeakPolarHBondContact OH-CG2 3.41Å; Y575-I642 HydrophobicContact CD2-CG1 4.47Å; Y575-I642 HydrophobicContact CE2-CG1 4.21Å
576	V	92.5	Very high	86.9	Confident	0.5 Å²	0.5	35.6 Å²	35.6	0%	0.003	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-46.4	-178	172.7	0	0	0	0	110.8	F531 F545 I560 L564 I572 K579 L580	F531-V576 HydrophobicContact CE2-CG2 4.33Å; F531-V576 HydrophobicContact CZ-CG2 4.14Å; F545-V576 HydrophobicContact CD1-CG2 4.2Å; F545-V576 HydrophobicContact CD2-CG2 3.96Å; F545-V576 HydrophobicContact CE1-CB 4.35Å; F545-V576 HydrophobicContact CE1-CG2 3.97Å; F545-V576 HydrophobicContact CE2-CB 4.2Å; F545-V576 HydrophobicContact CE2-CG1 3.7Å; F545-V576 HydrophobicContact CE2-CG2 3.72Å; F545-V576 HydrophobicContact CG-CG2 4.16Å; F545-V576 HydrophobicContact CZ-CB 3.87Å; F545-V576 HydrophobicContact CZ-CG1 3.61Å; F545-V576 HydrophobicContact CZ-CG2 3.7Å; I560-V576 HydrophobicContact CG2-CG1 3.74Å; L564-V576 HydrophobicContact CD1-CG1 3.79Å; L564-V576 HydrophobicContact CD2-CB 3.99Å; L564-V576 HydrophobicContact CD2-CG1 3.7Å; L564-V576 HydrophobicContact CG-CG1 4.01Å; I572-V576 HydrophobicContact CG2-CG2 4.05Å; I572-V576 WeakPolarHBondContact O-CB 3.38Å; I572-V576 VanDerWaalsContact O-CG2 3.27Å; I572-V576 WeakPolarHBondContact O-CG2 3.3Å; I572-V576 PolarHBondContact O-N 3.39Å; V576-K579 PolarHBondContact O-N 3.06Å; V576-L580 HydrophobicContact CG1-CD1 4.1Å; V576-L580 WeakPolarHBondContact O-CG 3.38Å; V576-L580 PolarHBondContact O-N 2.95Å
577	I	90.6	Very high	87	Confident	1.5 Å²	1.5	34.8 Å²	34.8	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-47	179.9	-68.5	168.6	0	0	0	110.8	L564 R573 Y575 K579 L580 F581 L608 N609 N612	L564-I577 HydrophobicContact CD1-CG1 4.21Å; L564-I577 HydrophobicContact CD2-CD1 4.35Å; L564-I577 HydrophobicContact CD2-CG1 4Å; R573-I577 HydrophobicContact CG-CD1 3.81Å; R573-I577 WeakPolarHBondContact O-CB 3.35Å; R573-I577 VanDerWaalsContact O-CG1 3.31Å; R573-I577 WeakPolarHBondContact O-CG1 3.21Å; R573-I577 PolarHBondContact O-N 3.05Å; R573-I577 VanDerWaalsContact O-N 3.12Å; Y575-I577 PolarHBondContact O-N 3.34Å; I577-K579 VanDerWaalsContact C-N 3.32Å; I577-K579 PolarHBondContact O-N 3.22Å; I577-L580 PolarHBondContact O-N 3Å; I577-F581 VanDerWaalsContact O-CB 3.29Å; I577-F581 WeakPolarHBondContact O-CB 3.43Å; I577-F581 PolarHBondContact O-N 2.98Å; I577-L608 HydrophobicContact CD1-CB 4.17Å; I577-L608 HydrophobicContact CG1-CB 4.35Å; I577-N609 HydrophobicContact CG2-CB 3.84Å; I577-N612 WeakPolarHBondContact CD1-ND2 3.34Å
578	S	91	Very high	87.8	Confident	11.5 Å²	11.5	28.9 Å²	28.9	8%	0.08	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-37.9	178.8	57.9	0	0	0	0	112.3	S574 Y575 S582 G622 Y623	S574-S578 WeakPolarHBondContact O-CB 3.28Å; S574-S578 PolarHBondContact O-N 3.05Å; S574-S578 PolarHBondContact O-OG 3.33Å; Y575-S578 WeakPolarHBondContact CA-OG 3.46Å; Y575-S578 PolarHBondContact O-N 3.15Å; Y575-S578 PolarHBondContact O-OG 2.81Å; S578-S582 VanDerWaalsContact O-CB 3.27Å; S578-S582 WeakPolarHBondContact O-CB 3.25Å; S578-S582 PolarHBondContact O-N 3.2Å; S578-S582 PolarHBondContact O-OG 3.18Å; S578-G622 WeakPolarHBondContact OG-CA 3.42Å; S578-Y623 CarbonylContact C-O 3.47Å; S578-Y623 WeakPolarHBondContact CB-O 3.38Å; S578-Y623 PolarHBondContact OG-N 3.03Å
579	K	92.8	Very high	88.1	Confident	23 Å²	23	30.4 Å²	30.4	10%	0.1	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-51	174.7	-175.4	63.3	168.9	-174	0	112.5	F545 I549 Y575 V576 I577 F581 S582 L583 Y623	F545-K579 HydrophobicContact CE1-CB 4.07Å; F545-K579 HydrophobicContact CE1-CG 4.03Å; F545-K579 HydrophobicContact CZ-CB 4.46Å; F545-K579 HydrophobicContact CZ-CG 4.47Å; I549-K579 HydrophobicContact CD1-CG 4.36Å; Y575-K579 HydrophobicContact CE1-CB 4.45Å; Y575-K579 VanDerWaalsContact O-CB 3.32Å; Y575-K579 WeakPolarHBondContact O-CB 3.43Å; Y575-K579 PolarHBondContact O-N 3.33Å; V576-K579 PolarHBondContact O-N 3.06Å; I577-K579 VanDerWaalsContact C-N 3.32Å; I577-K579 PolarHBondContact O-N 3.22Å; K579-F581 VanDerWaalsContact C-N 3.35Å; K579-F581 PolarHBondContact O-N 2.62Å; K579-S582 PolarHBondContact O-N 2.78Å; K579-L583 WeakPolarHBondContact O-CG 3.23Å; K579-L583 PolarHBondContact O-N 2.92Å; K579-Y623 HydrophobicContact CB-CD1 4.38Å; K579-Y623 HydrophobicContact CB-CG 4.46Å; K579-Y623 HydrophobicContact CD-CD1 3.3Å; K579-Y623 HydrophobicContact CD-CD2 3.97Å; K579-Y623 HydrophobicContact CD-CE1 3.6Å; K579-Y623 HydrophobicContact CD-CE2 4.27Å; K579-Y623 HydrophobicContact CD-CG 3.47Å; K579-Y623 VanDerWaalsContact CD-CG 3.47Å; K579-Y623 HydrophobicContact CG-CD1 4.4Å; K579-Y623 PolarHBondContact NZ-OH 3Å; K579-Y623 VanDerWaalsContact NZ-OH 3.15Å
580	L	93	Very high	87.9	Confident	2.5 Å²	2.5	31.8 Å²	31.8	1%	0.013	16%	0.164	C	C	.	.	H	α-helix	trans	-62.6	-43	179.3	-70.9	175.7	0	0	0	111.7	I549 I560 L564 V576 I577 S582 L583 L584 V598 I605	I549-L580 HydrophobicContact CD1-CD2 4.11Å; I560-L580 HydrophobicContact CG2-CD1 4.07Å; L564-L580 HydrophobicContact CD1-CD1 4.17Å; V576-L580 HydrophobicContact CG1-CD1 4.1Å; V576-L580 WeakPolarHBondContact O-CG 3.38Å; V576-L580 PolarHBondContact O-N 2.95Å; I577-L580 PolarHBondContact O-N 3Å; L580-S582 VanDerWaalsContact C-N 3.34Å; L580-S582 PolarHBondContact O-N 3.5Å; L580-L583 WeakPolarHBondContact O-CB 3.02Å; L580-L583 PolarHBondContact O-N 2.9Å; L580-L584 PolarHBondContact O-N 2.81Å; L580-L584 VanDerWaalsContact O-N 3.11Å; L580-V598 HydrophobicContact CD2-CG1 4.45Å; L580-V598 HydrophobicContact CD2-CG2 4.26Å; L580-I605 HydrophobicContact CB-CD1 4.21Å; L580-I605 HydrophobicContact CB-CG1 4.44Å; L580-I605 HydrophobicContact CB-CG2 3.89Å; L580-I605 HydrophobicContact CD1-CD1 4.47Å; L580-I605 HydrophobicContact CD1-CG1 4.43Å
581	F	91	Very high	88	Confident	46 Å²	46	28.1 Å²	28.1	20%	0.202	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-36	177.8	-172	-104.2	0	0	0	112.6	I577 K579 L583 L584 K585 I605 T606 N609	I577-F581 VanDerWaalsContact O-CB 3.29Å; I577-F581 WeakPolarHBondContact O-CB 3.43Å; I577-F581 PolarHBondContact O-N 2.98Å; K579-F581 VanDerWaalsContact C-N 3.35Å; K579-F581 PolarHBondContact O-N 2.62Å; F581-L583 VanDerWaalsContact C-N 3.35Å; F581-L584 HydrophobicContact CD2-CD1 4.49Å; F581-L584 PolarHBondContact O-N 2.95Å; F581-K585 HydrophobicContact CE1-CD 4.12Å; F581-K585 VanDerWaalsContact CE1-NZ 3.26Å; F581-K585 HydrophobicContact CZ-CD 4.45Å; F581-K585 VanDerWaalsContact CZ-NZ 3.35Å; F581-I605 HydrophobicContact CB-CG2 4.31Å; F581-T606 HydrophobicContact CD2-CG2 4.49Å; F581-T606 HydrophobicContact CE2-CG2 4.11Å; F581-N609 HydrophobicContact CB-CB 4.43Å; F581-N609 VanDerWaalsContact CD1-ND2 3.27Å; F581-N609 WeakPolarHBondContact CD1-ND2 3.42Å; F581-N609 HydrophobicContact CD2-CB 3.88Å; F581-N609 WeakPolarHBondContact CD2-ND2 3.48Å; F581-N609 VanDerWaalsContact CE1-ND2 3.28Å; F581-N609 WeakPolarHBondContact CE1-ND2 3.39Å; F581-N609 HydrophobicContact CE2-CB 4.27Å; F581-N609 WeakPolarHBondContact CE2-ND2 3.19Å; F581-N609 HydrophobicContact CG-CB 4.16Å; F581-N609 WeakPolarHBondContact CG-ND2 3.27Å; F581-N609 VanDerWaalsContact CZ-ND2 3.31Å; F581-N609 WeakPolarHBondContact CZ-ND2 3.45Å
582	S	90.7	Very high	87.9	Confident	11.5 Å²	11.5	31 Å²	31	8%	0.08	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-37.2	173	-116.9	0	0	0	0	111.8	S578 K579 L580 L584 K585 T586 Y623 E625	S578-S582 VanDerWaalsContact O-CB 3.27Å; S578-S582 WeakPolarHBondContact O-CB 3.25Å; S578-S582 PolarHBondContact O-N 3.2Å; S578-S582 PolarHBondContact O-OG 3.18Å; K579-S582 PolarHBondContact O-N 2.78Å; L580-S582 VanDerWaalsContact C-N 3.34Å; L580-S582 PolarHBondContact O-N 3.5Å; S582-L584 VanDerWaalsContact C-N 3.34Å; S582-L584 PolarHBondContact O-N 3.12Å; S582-K585 CarbonylContact O-C 3.57Å; S582-K585 PolarHBondContact O-N 3.01Å; S582-K585 VanDerWaalsContact O-N 3.14Å; S582-T586 PolarHBondContact O-N 3.16Å; S582-T586 VanDerWaalsContact O-N 3.09Å; S582-Y623 PolarHBondContact OG-O 3.4Å; S582-Y623 VanDerWaalsContact OG-O 3.13Å; S582-E625 WeakPolarHBondContact OG-CB 3.49Å; S582-E625 PolarHBondContact OG-N 3.13Å
583	L	91.8	Very high	87.7	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-35.3	175.2	-74.3	172.4	0	0	0	112.4	I549 K579 L580 F581 K585 T586 K591 L594 Y595 V598	I549-L583 HydrophobicContact CG2-CD1 4.22Å; K579-L583 WeakPolarHBondContact O-CG 3.23Å; K579-L583 PolarHBondContact O-N 2.92Å; L580-L583 WeakPolarHBondContact O-CB 3.02Å; L580-L583 PolarHBondContact O-N 2.9Å; F581-L583 VanDerWaalsContact C-N 3.35Å; L583-K585 PolarHBondContact O-N 2.99Å; L583-T586 HydrophobicContact CD2-CG2 4.46Å; L583-T586 VanDerWaalsContact O-CG2 3.31Å; L583-T586 WeakPolarHBondContact O-CG2 3.39Å; L583-T586 PolarHBondContact O-N 2.79Å; L583-K591 HydrophobicContact CD2-CB 4.46Å; L583-K591 HydrophobicContact CD2-CD 4.1Å; L583-L594 HydrophobicContact CD1-CB 4.46Å; L583-L594 HydrophobicContact CD2-CB 4.17Å; L583-L594 HydrophobicContact CD2-CD1 4.23Å; L583-Y595 WeakPolarHBondContact O-CD2 3.17Å; L583-V598 HydrophobicContact CB-CG2 4.36Å; L583-V598 HydrophobicContact CD1-CG2 4.16Å
584	L	89.9	Confident	87.7	Confident	21 Å²	21	36.2 Å²	36.2	11%	0.11	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-22.1	172.6	-71.8	172.9	0	0	0	113.4	L580 F581 S582 Y595 V598 E602 I605 T606	L580-L584 PolarHBondContact O-N 2.81Å; L580-L584 VanDerWaalsContact O-N 3.11Å; F581-L584 HydrophobicContact CD2-CD1 4.49Å; F581-L584 PolarHBondContact O-N 2.95Å; S582-L584 VanDerWaalsContact C-N 3.34Å; S582-L584 PolarHBondContact O-N 3.12Å; L584-Y595 WeakPolarHBondContact O-CE2 3.29Å; L584-V598 HydrophobicContact CD2-CB 4.46Å; L584-V598 HydrophobicContact CD2-CG1 3.71Å; L584-V598 HydrophobicContact CG-CG1 3.82Å; L584-E602 HydrophobicContact CD1-CB 4.48Å; L584-E602 HydrophobicContact CD1-CG 4.22Å; L584-E602 HydrophobicContact CD2-CB 4.03Å; L584-E602 HydrophobicContact CD2-CG 4.22Å; L584-I605 HydrophobicContact CD1-CB 3.91Å; L584-I605 HydrophobicContact CD1-CD1 4.38Å; L584-I605 HydrophobicContact CD1-CG2 3.64Å; L584-T606 HydrophobicContact CD1-CG2 4.27Å
585	K	85.7	Confident	87.7	Confident	129 Å²	129	38.3 Å²	38.3	56%	0.561	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	1.6	-178.1	-63.1	-175.2	177.5	-173.2	0	113.6	F581 S582 L583 H587	F581-K585 HydrophobicContact CE1-CD 4.12Å; F581-K585 VanDerWaalsContact CE1-NZ 3.26Å; F581-K585 HydrophobicContact CZ-CD 4.45Å; F581-K585 VanDerWaalsContact CZ-NZ 3.35Å; S582-K585 CarbonylContact O-C 3.57Å; S582-K585 PolarHBondContact O-N 3.01Å; S582-K585 VanDerWaalsContact O-N 3.14Å; L583-K585 PolarHBondContact O-N 2.99Å; K585-H587 PolarHBondContact O-CD2 2.9Å
586	T	85.6	Confident	87.6	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.025	22%	0.219	C	C	.	.			trans	-71.5	142.7	-175.4	-164	0	0	0	0	110.4	S582 L583 D588 K591 E625	S582-T586 PolarHBondContact O-N 3.16Å; S582-T586 VanDerWaalsContact O-N 3.09Å; L583-T586 HydrophobicContact CD2-CG2 4.46Å; L583-T586 VanDerWaalsContact O-CG2 3.31Å; L583-T586 WeakPolarHBondContact O-CG2 3.39Å; L583-T586 PolarHBondContact O-N 2.79Å; T586-D588 WeakPolarHBondContact OG1-CB 3.19Å; T586-D588 PolarHBondContact OG1-N 2.88Å; T586-D588 VanDerWaalsContact OG1-N 3.11Å; T586-K591 HydrophobicContact CG2-CB 4.12Å; T586-E625 WeakPolarHBondContact CB-OE1 3.36Å; T586-E625 VanDerWaalsContact CB-OE2 3.31Å; T586-E625 WeakPolarHBondContact CB-OE2 3.46Å; T586-E625 PolarHBondContact OG1-OE1 2.87Å; T586-E625 PolarHBondContact OG1-OE2 2.89Å
587	H	80.7	Confident	87.4	Confident	113.5 Å²	113.5	44.7 Å²	44.7	53%	0.525	23%	0.231	S	C	.	.			trans	-120.1	18.1	164	-52.9	-79.5	0	0	0	111.3	K585 P589 I627 F636	K585-H587 PolarHBondContact O-CD2 2.9Å; H587-P589 WeakPolarHBondContact O-CD 3.41Å; H587-I627 HydrophobicContact CB-CD1 3.53Å; H587-I627 VanDerWaalsContact CD2-CD1 3.48Å; H587-I627 WeakPolarHBondContact CD2-CD1 3.41Å; H587-F636 VanDerWaalsContact C-CE1 3.4Å; H587-F636 HydrophobicContact CB-CE1 4.37Å; H587-F636 WeakPolarHBondContact O-CE1 3.46Å; H587-F636 WeakPolarHBondContact O-CZ 3.36Å
588	D	82.5	Confident	87.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.			trans	-71	116.2	175.2	-175.5	-15.2	0	0	0	108.4	T586 S590 K591 M592 F636 K658 L665	T586-D588 WeakPolarHBondContact OG1-CB 3.19Å; T586-D588 PolarHBondContact OG1-N 2.88Å; T586-D588 VanDerWaalsContact OG1-N 3.11Å; D588-S590 PolarHBondContact O-N 3.1Å; D588-S590 VanDerWaalsContact O-N 3.13Å; D588-S590 WeakPolarHBondContact OD1-CB 3.45Å; D588-S590 PolarHBondContact OD1-N 2.85Å; D588-S590 PolarHBondContact OD1-OG 2.9Å; D588-S590 PolarHBondContact OD2-OG 3.12Å; D588-S590 VanDerWaalsContact OD2-OG 3.13Å; D588-K591 HydrophobicContact CB-CB 4.37Å; D588-K591 HydrophobicContact CB-CD 4.09Å; D588-K591 HydrophobicContact CB-CG 4.18Å; D588-K591 PolarHBondContact O-N 3.14Å; D588-K591 WeakPolarHBondContact OD2-CE 3.37Å; D588-K591 IonicContact OD2-NZ 3.21Å; D588-K591 PolarHBondContact OD2-NZ 2.87Å; D588-M592 WeakPolarHBondContact O-CE 3.48Å; D588-F636 HydrophobicContact CB-CD1 4.15Å; D588-F636 HydrophobicContact CB-CE1 4.11Å; D588-K658 IonicContact OD2-NZ 3.89Å; D588-K658 PolarHBondContact OD2-NZ 3.13Å; D588-L665 WeakPolarHBondContact OD1-CD2 3.17Å
589	P	77.4	Confident	87.5	Confident	59 Å²	59	50.4 Å²	50.4	38%	0.383	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29	-179.2	25.4	-36.1	0	0	0	112.2	H587 K591 M592	H587-P589 WeakPolarHBondContact O-CD 3.41Å; P589-K591 PolarHBondContact O-N 3.01Å; P589-M592 WeakPolarHBondContact O-CG 3.43Å; P589-M592 PolarHBondContact O-N 2.83Å
590	S	80.7	Confident	87.4	Confident	80 Å²	80	55 Å²	55	56%	0.559	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-71.1	-8.3	178.1	79.4	0	0	0	0	113.8	D588	D588-S590 PolarHBondContact O-N 3.1Å; D588-S590 VanDerWaalsContact O-N 3.13Å; D588-S590 WeakPolarHBondContact OD1-CB 3.45Å; D588-S590 PolarHBondContact OD1-N 2.85Å; D588-S590 PolarHBondContact OD1-OG 2.9Å; D588-S590 PolarHBondContact OD2-OG 3.12Å; D588-S590 VanDerWaalsContact OD2-OG 3.13Å
591	K	87.1	Confident	87.4	Confident	18.5 Å²	18.5	56 Å²	56	8%	0.08	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-117.7	9.5	-179.3	-59.2	178.9	-166.9	156.3	0	112.7	L583 T586 D588 P589 D593 L594 Y595 Y623 E625 E638	L583-K591 HydrophobicContact CD2-CB 4.46Å; L583-K591 HydrophobicContact CD2-CD 4.1Å; T586-K591 HydrophobicContact CG2-CB 4.12Å; D588-K591 HydrophobicContact CB-CB 4.37Å; D588-K591 HydrophobicContact CB-CD 4.09Å; D588-K591 HydrophobicContact CB-CG 4.18Å; D588-K591 PolarHBondContact O-N 3.14Å; D588-K591 WeakPolarHBondContact OD2-CE 3.37Å; D588-K591 IonicContact OD2-NZ 3.21Å; D588-K591 PolarHBondContact OD2-NZ 2.87Å; P589-K591 PolarHBondContact O-N 3.01Å; K591-D593 VanDerWaalsContact C-N 3.27Å; K591-D593 PolarHBondContact O-N 3Å; K591-L594 HydrophobicContact CB-CD1 4.49Å; K591-L594 WeakPolarHBondContact O-CB 3.42Å; K591-L594 PolarHBondContact O-N 2.87Å; K591-L594 VanDerWaalsContact O-N 3.09Å; K591-Y595 PolarHBondContact O-N 2.89Å; K591-Y623 PolarHBondContact NZ-OH 3.12Å; K591-E625 IonicContact NZ-OE1 2.76Å; K591-E625 PolarHBondContact NZ-OE1 3.04Å; K591-E625 IonicContact NZ-OE2 3.36Å; K591-E625 PolarHBondContact NZ-OE2 2.84Å; K591-E638 IonicContact NZ-OE1 2.79Å; K591-E638 PolarHBondContact NZ-OE1 2.89Å; K591-E638 IonicContact NZ-OE2 3.55Å
592	M	84.3	Confident	87.5	Confident	77 Å²	77	58.1 Å²	58.1	38%	0.379	29%	0.285	S	S	.	.	H	α-helix	trans	-60.1	-38	-175.3	-117.9	-1.2	152.3	0	0	112.3	D588 P589 L594 Y595 L596	D588-M592 WeakPolarHBondContact O-CE 3.48Å; P589-M592 WeakPolarHBondContact O-CG 3.43Å; P589-M592 PolarHBondContact O-N 2.83Å; M592-L594 VanDerWaalsContact C-N 3.32Å; M592-L594 PolarHBondContact O-N 2.89Å; M592-Y595 HydrophobicContact CE-CD1 3.92Å; M592-Y595 HydrophobicContact CE-CE1 4.13Å; M592-Y595 WeakPolarHBondContact O-CB 3.27Å; M592-Y595 PolarHBondContact O-N 2.96Å; M592-Y595 HydrophobicContact SD-CD1 4.16Å; M592-L596 VanDerWaalsContact O-CG 3.32Å; M592-L596 WeakPolarHBondContact O-CG 3.32Å; M592-L596 PolarHBondContact O-N 3.03Å
593	D	84.7	Confident	87.5	Confident	127 Å²	127	63.7 Å²	63.7	68%	0.679	31%	0.314	S	S	*	.	H	α-helix	trans	-62.2	-39.9	175.8	-62.3	-25.7	0	0	0	112.1	K591 N597	K591-D593 VanDerWaalsContact C-N 3.27Å; K591-D593 PolarHBondContact O-N 3Å; D593-N597 PolarHBondContact O-N 3.14Å
594	L	88.6	Confident	87.4	Confident	29 Å²	29	68.1 Å²	68.1	15%	0.152	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-44.7	175.4	-61.7	177.9	0	0	0	111	I549 L552 L583 K591 M592 L596 N597 V598	I549-L594 HydrophobicContact CG2-CD1 4.36Å; I549-L594 HydrophobicContact CG2-CD2 4.29Å; I549-L594 WeakPolarHBondContact O-CD2 3.42Å; L552-L594 HydrophobicContact CB-CD2 3.7Å; L552-L594 HydrophobicContact CD2-CD2 4.49Å; L583-L594 HydrophobicContact CD1-CB 4.46Å; L583-L594 HydrophobicContact CD2-CB 4.17Å; L583-L594 HydrophobicContact CD2-CD1 4.23Å; K591-L594 HydrophobicContact CB-CD1 4.49Å; K591-L594 WeakPolarHBondContact O-CB 3.42Å; K591-L594 PolarHBondContact O-N 2.87Å; K591-L594 VanDerWaalsContact O-N 3.09Å; M592-L594 VanDerWaalsContact C-N 3.32Å; M592-L594 PolarHBondContact O-N 2.89Å; L594-L596 VanDerWaalsContact C-N 3.35Å; L594-L596 PolarHBondContact O-N 2.88Å; L594-N597 PolarHBondContact O-N 3.18Å; L594-V598 WeakPolarHBondContact O-CB 3.42Å; L594-V598 VanDerWaalsContact O-CG2 3.23Å; L594-V598 WeakPolarHBondContact O-CG2 3.36Å; L594-V598 PolarHBondContact O-N 2.99Å
595	Y	90.1	Very high	87.4	Confident	48 Å²	48	67.2 Å²	67.2	19%	0.188	33%	0.33	C	S	.	.	H	α-helix	trans	-56.5	-48.4	176.4	166.5	-106.4	0	0	0	111.4	L583 L584 K591 M592 N597 V598 R599	L583-Y595 WeakPolarHBondContact O-CD2 3.17Å; L584-Y595 WeakPolarHBondContact O-CE2 3.29Å; K591-Y595 PolarHBondContact O-N 2.89Å; M592-Y595 HydrophobicContact CE-CD1 3.92Å; M592-Y595 HydrophobicContact CE-CE1 4.13Å; M592-Y595 WeakPolarHBondContact O-CB 3.27Å; M592-Y595 PolarHBondContact O-N 2.96Å; M592-Y595 HydrophobicContact SD-CD1 4.16Å; Y595-N597 VanDerWaalsContact C-N 3.3Å; Y595-N597 PolarHBondContact O-N 3.12Å; Y595-V598 PolarHBondContact O-N 3.16Å; Y595-R599 HydrophobicContact CE2-CB 4.48Å; Y595-R599 VanDerWaalsContact O-CB 3.25Å; Y595-R599 WeakPolarHBondContact O-CB 3.42Å; Y595-R599 PolarHBondContact O-N 2.94Å; Y595-R599 WeakPolarHBondContact OH-CD 3.32Å; Y595-R599 PolarHBondContact OH-NE 2.92Å; Y595-R599 PolarHBondContact OH-NH1 3.02Å
596	L	88.3	Confident	87.5	Confident	91 Å²	91	62.8 Å²	62.8	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-39	-179.7	-70.2	173.8	0	0	0	112.4	M592 L594	M592-L596 VanDerWaalsContact O-CG 3.32Å; M592-L596 WeakPolarHBondContact O-CG 3.32Å; M592-L596 PolarHBondContact O-N 3.03Å; L594-L596 VanDerWaalsContact C-N 3.35Å; L594-L596 PolarHBondContact O-N 2.88Å
597	N	88.7	Confident	87.5	Confident	46 Å²	46	67.8 Å²	67.8	25%	0.246	34%	0.336	C	S	.	.	H	α-helix	trans	-74.2	-41.2	178.1	-70.7	-17.3	0	0	0	112.5	L552 I557 D593 L594 Y595	L552-N597 HydrophobicContact CD2-CB 4.41Å; L552-N597 PolarHBondContact O-ND2 2.87Å; I557-N597 HydrophobicContact CD1-CB 4.04Å; I557-N597 VanDerWaalsContact CD1-O 3.27Å; I557-N597 WeakPolarHBondContact CD1-O 3.3Å; D593-N597 PolarHBondContact O-N 3.14Å; L594-N597 PolarHBondContact O-N 3.18Å; Y595-N597 VanDerWaalsContact C-N 3.3Å; Y595-N597 PolarHBondContact O-N 3.12Å
598	V	91.6	Very high	87.7	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-69.4	-35.8	179.3	178.4	0	0	0	0	111.7	L552 L580 L583 L584 L594 Y595 K600 Y601 I605	L552-V598 HydrophobicContact CD2-CG2 3.4Å; L552-V598 VanDerWaalsContact CD2-CG2 3.41Å; L580-V598 HydrophobicContact CD2-CG1 4.45Å; L580-V598 HydrophobicContact CD2-CG2 4.26Å; L583-V598 HydrophobicContact CB-CG2 4.36Å; L583-V598 HydrophobicContact CD1-CG2 4.16Å; L584-V598 HydrophobicContact CD2-CB 4.46Å; L584-V598 HydrophobicContact CD2-CG1 3.71Å; L584-V598 HydrophobicContact CG-CG1 3.82Å; L594-V598 WeakPolarHBondContact O-CB 3.42Å; L594-V598 VanDerWaalsContact O-CG2 3.23Å; L594-V598 WeakPolarHBondContact O-CG2 3.36Å; L594-V598 PolarHBondContact O-N 2.99Å; Y595-V598 PolarHBondContact O-N 3.16Å; V598-K600 PolarHBondContact O-N 3.44Å; V598-K600 VanDerWaalsContact O-N 3.14Å; V598-Y601 PolarHBondContact O-N 2.92Å; V598-I605 HydrophobicContact CG1-CD1 3.38Å
599	R	91.6	Very high	87.8	Confident	132 Å²	132	65.8 Å²	65.8	50%	0.498	33%	0.329	S	S	.	.	H	α-helix	trans	-57.2	-29.7	-178.6	-172.5	179.9	-175.4	-176.3	-2.9	113.5	Y595 Y601 E602	Y595-R599 HydrophobicContact CE2-CB 4.48Å; Y595-R599 VanDerWaalsContact O-CB 3.25Å; Y595-R599 WeakPolarHBondContact O-CB 3.42Å; Y595-R599 PolarHBondContact O-N 2.94Å; Y595-R599 WeakPolarHBondContact OH-CD 3.32Å; Y595-R599 PolarHBondContact OH-NE 2.92Å; Y595-R599 PolarHBondContact OH-NH1 3.02Å; R599-Y601 PolarHBondContact O-N 2.84Å; R599-Y601 VanDerWaalsContact O-N 3.13Å; R599-E602 WeakPolarHBondContact O-CB 3.26Å; R599-E602 PolarHBondContact O-N 2.91Å
600	K	91.1	Very high	87.9	Confident	120 Å²	120	70.5 Å²	70.5	52%	0.522	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.7	175.2	-63.2	175.8	-173.5	166.9	0	113.2	D554 V598	D554-K600 VanDerWaalsContact CG-NZ 3.31Å; D554-K600 IonicContact OD1-NZ 3.21Å; D554-K600 PolarHBondContact OD1-NZ 2.91Å; D554-K600 IonicContact OD2-NZ 2.95Å; D554-K600 PolarHBondContact OD2-NZ 2.95Å; V598-K600 PolarHBondContact O-N 3.44Å; V598-K600 VanDerWaalsContact O-N 3.14Å
601	Y	93.6	Very high	87.5	Confident	24 Å²	24	71.8 Å²	71.8	9%	0.094	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	25.6	-177	-55.5	-88.8	0	0	0	112.3	I557 K558 L561 V598 R599 N603 E604 I605	I557-Y601 HydrophobicContact CB-CD2 4.1Å; I557-Y601 HydrophobicContact CB-CE2 3.88Å; I557-Y601 HydrophobicContact CD1-CD2 3.9Å; I557-Y601 HydrophobicContact CD1-CE2 3.81Å; I557-Y601 HydrophobicContact CG1-CE2 4.45Å; I557-Y601 HydrophobicContact CG2-CD1 4.25Å; I557-Y601 HydrophobicContact CG2-CD2 3.4Å; I557-Y601 VanDerWaalsContact CG2-CD2 3.42Å; I557-Y601 HydrophobicContact CG2-CE1 4.47Å; I557-Y601 HydrophobicContact CG2-CE2 3.66Å; I557-Y601 HydrophobicContact CG2-CG 3.71Å; K558-Y601 WeakPolarHBondContact CE-OH 3.24Å; K558-Y601 HydrophobicContact CG-CE1 3.92Å; K558-Y601 WeakPolarHBondContact CG-OH 3.45Å; L561-Y601 HydrophobicContact CD1-CD1 3.64Å; L561-Y601 HydrophobicContact CD1-CE1 4.36Å; L561-Y601 HydrophobicContact CD1-CG 3.98Å; V598-Y601 PolarHBondContact O-N 2.92Å; R599-Y601 PolarHBondContact O-N 2.84Å; R599-Y601 VanDerWaalsContact O-N 3.13Å; Y601-N603 VanDerWaalsContact C-N 3.27Å; Y601-N603 PolarHBondContact O-N 2.96Å; Y601-E604 VanDerWaalsContact C-OE2 3.26Å; Y601-E604 WeakPolarHBondContact CA-OE2 3.36Å; Y601-E604 WeakPolarHBondContact CB-OE2 3.36Å; Y601-E604 WeakPolarHBondContact CD1-OE2 3.35Å; Y601-E604 PolarHBondContact O-N 3.04Å; Y601-I605 WeakPolarHBondContact O-CD1 3.46Å; Y601-I605 VanDerWaalsContact O-CG1 3.3Å; Y601-I605 WeakPolarHBondContact O-CG1 3.36Å; Y601-I605 PolarHBondContact O-N 3.1Å; Y601-I605 VanDerWaalsContact O-N 3.15Å
602	E	92.6	Very high	86.6	Confident	89 Å²	89	71.8 Å²	71.8	42%	0.416	35%	0.346	S	S	.	.	H	α-helix	trans	-55.2	-41.6	-176.4	178.7	173.9	-176.9	0	0	112.3	L584 R599 I605 T606	L584-E602 HydrophobicContact CD1-CB 4.48Å; L584-E602 HydrophobicContact CD1-CG 4.22Å; L584-E602 HydrophobicContact CD2-CB 4.03Å; L584-E602 HydrophobicContact CD2-CG 4.22Å; R599-E602 WeakPolarHBondContact O-CB 3.26Å; R599-E602 PolarHBondContact O-N 2.91Å; E602-I605 PolarHBondContact O-N 3.13Å; E602-T606 HydrophobicContact CG-CG2 4.08Å; E602-T606 VanDerWaalsContact O-CB 3.29Å; E602-T606 WeakPolarHBondContact O-CB 3.3Å; E602-T606 VanDerWaalsContact O-CG2 3.24Å; E602-T606 WeakPolarHBondContact O-CG2 3.43Å; E602-T606 PolarHBondContact O-N 2.92Å; E602-T606 PolarHBondContact O-OG1 3.13Å
603	N	91	Very high	85.3	Confident	130.333 Å²	130.333	70.1 Å²	70.1	70%	0.697	35%	0.347	S	S	*	.	H	α-helix	trans	-64.7	-45.1	-178.7	-71.1	-19.2	0	0	0	112.3	Y601 I605 T606 Q607	Y601-N603 VanDerWaalsContact C-N 3.27Å; Y601-N603 PolarHBondContact O-N 2.96Å; N603-I605 PolarHBondContact O-N 3.2Å; N603-T606 WeakPolarHBondContact CA-OG1 3.5Å; N603-T606 PolarHBondContact O-OG1 3.2Å; N603-T606 VanDerWaalsContact O-OG1 3.07Å; N603-Q607 WeakPolarHBondContact O-CB 3.25Å; N603-Q607 PolarHBondContact O-N 3.02Å; N603-Q607 VanDerWaalsContact O-N 3.13Å
604	E	90.1	Very high	84	Confident	92.6667 Å²	92.6667	71.7 Å²	71.7	43%	0.433	35%	0.348	S	S	.	.	H	α-helix	trans	-66.3	-41.7	179.2	-61.7	105.8	151.4	0	0	111.6	L561 Y601 Q607 L608	L561-E604 HydrophobicContact CD1-CB 4.32Å; L561-E604 HydrophobicContact CD2-CB 4.41Å; Y601-E604 VanDerWaalsContact C-OE2 3.26Å; Y601-E604 WeakPolarHBondContact CA-OE2 3.36Å; Y601-E604 WeakPolarHBondContact CB-OE2 3.36Å; Y601-E604 WeakPolarHBondContact CD1-OE2 3.35Å; Y601-E604 PolarHBondContact O-N 3.04Å; E604-Q607 PolarHBondContact O-N 3.33Å; E604-L608 WeakPolarHBondContact O-CG 3.39Å; E604-L608 PolarHBondContact O-N 3.22Å; E604-L608 VanDerWaalsContact O-N 3.1Å
605	I	89.9	Confident	82.2	Confident	2 Å²	2	76.1 Å²	76.1	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-70.5	-42.3	-178	-64.3	165.2	0	0	0	111.3	L561 L580 F581 L584 V598 Y601 E602 N603 Q607 L608 N609	L561-I605 HydrophobicContact CD2-CG1 4.09Å; L580-I605 HydrophobicContact CB-CD1 4.21Å; L580-I605 HydrophobicContact CB-CG1 4.44Å; L580-I605 HydrophobicContact CB-CG2 3.89Å; L580-I605 HydrophobicContact CD1-CD1 4.47Å; L580-I605 HydrophobicContact CD1-CG1 4.43Å; F581-I605 HydrophobicContact CB-CG2 4.31Å; L584-I605 HydrophobicContact CD1-CB 3.91Å; L584-I605 HydrophobicContact CD1-CD1 4.38Å; L584-I605 HydrophobicContact CD1-CG2 3.64Å; V598-I605 HydrophobicContact CG1-CD1 3.38Å; Y601-I605 WeakPolarHBondContact O-CD1 3.46Å; Y601-I605 VanDerWaalsContact O-CG1 3.3Å; Y601-I605 WeakPolarHBondContact O-CG1 3.36Å; Y601-I605 PolarHBondContact O-N 3.1Å; Y601-I605 VanDerWaalsContact O-N 3.15Å; E602-I605 PolarHBondContact O-N 3.13Å; N603-I605 PolarHBondContact O-N 3.2Å; I605-Q607 VanDerWaalsContact C-N 3.3Å; I605-Q607 PolarHBondContact O-N 3.03Å; I605-L608 PolarHBondContact O-N 3.08Å; I605-N609 PolarHBondContact O-N 3.05Å; I605-N609 VanDerWaalsContact O-N 3.08Å
606	T	87.7	Confident	80.9	Confident	35.6667 Å²	35.6667	75.9 Å²	75.9	22%	0.219	37%	0.372	C	S	.	.	H	α-helix	trans	-64.8	-35.7	177.8	53.3	0	0	0	0	111.7	F581 L584 E602 N603 N609 K610	F581-T606 HydrophobicContact CD2-CG2 4.49Å; F581-T606 HydrophobicContact CE2-CG2 4.11Å; L584-T606 HydrophobicContact CD1-CG2 4.27Å; E602-T606 HydrophobicContact CG-CG2 4.08Å; E602-T606 VanDerWaalsContact O-CB 3.29Å; E602-T606 WeakPolarHBondContact O-CB 3.3Å; E602-T606 VanDerWaalsContact O-CG2 3.24Å; E602-T606 WeakPolarHBondContact O-CG2 3.43Å; E602-T606 PolarHBondContact O-N 2.92Å; E602-T606 PolarHBondContact O-OG1 3.13Å; N603-T606 WeakPolarHBondContact CA-OG1 3.5Å; N603-T606 PolarHBondContact O-OG1 3.2Å; N603-T606 VanDerWaalsContact O-OG1 3.07Å; T606-N609 PolarHBondContact O-N 3.11Å; T606-K610 WeakPolarHBondContact O-CG 3.39Å; T606-K610 PolarHBondContact O-N 3.21Å; T606-K610 VanDerWaalsContact O-N 3.13Å
607	Q	86.3	Confident	79.5	Confident	108.333 Å²	108.333	73.2 Å²	73.2	51%	0.506	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-48.7	174.1	-171.2	89.8	18.7	0	0	111.6	N603 E604 I605 N609 K610 D611	N603-Q607 WeakPolarHBondContact O-CB 3.25Å; N603-Q607 PolarHBondContact O-N 3.02Å; N603-Q607 VanDerWaalsContact O-N 3.13Å; E604-Q607 PolarHBondContact O-N 3.33Å; I605-Q607 VanDerWaalsContact C-N 3.3Å; I605-Q607 PolarHBondContact O-N 3.03Å; Q607-N609 VanDerWaalsContact C-N 3.25Å; Q607-N609 PolarHBondContact O-N 3.06Å; Q607-K610 WeakPolarHBondContact O-CB 3.42Å; Q607-K610 PolarHBondContact O-N 2.98Å; Q607-D611 PolarHBondContact NE2-OD1 3.07Å; Q607-D611 VanDerWaalsContact NE2-OD1 3.08Å; Q607-D611 VanDerWaalsContact O-CG 3.28Å; Q607-D611 PolarHBondContact O-N 3.09Å
608	L	84.8	Confident	78.2	Confident	34.3333 Å²	34.3333	75.5 Å²	75.5	18%	0.18	37%	0.372	C	S	.	.	H	α-helix	trans	-57.8	-35.5	177	-74.5	169.6	0	0	0	113.2	L561 L564 I577 E604 I605 N612	L561-L608 HydrophobicContact CD2-CD1 4.03Å; L564-L608 HydrophobicContact CB-CD1 4.28Å; L564-L608 HydrophobicContact CD1-CD1 3.87Å; I577-L608 HydrophobicContact CD1-CB 4.17Å; I577-L608 HydrophobicContact CG1-CB 4.35Å; E604-L608 WeakPolarHBondContact O-CG 3.39Å; E604-L608 PolarHBondContact O-N 3.22Å; E604-L608 VanDerWaalsContact O-N 3.1Å; I605-L608 PolarHBondContact O-N 3.08Å; L608-N612 PolarHBondContact O-N 2.99Å; L608-N612 PolarHBondContact O-OD1 3.23Å; L608-N612 VanDerWaalsContact O-OD1 3.12Å
609	N	83	Confident	77	Confident	37 Å²	37	83.5 Å²	83.5	20%	0.198	40%	0.402	C	S	.	.	H	α-helix	trans	-74	-32.6	177.6	-170.1	55.9	0	0	0	113.1	I577 F581 I605 T606 Q607 D611 N612	I577-N609 HydrophobicContact CG2-CB 3.84Å; F581-N609 HydrophobicContact CB-CB 4.43Å; F581-N609 VanDerWaalsContact CD1-ND2 3.27Å; F581-N609 WeakPolarHBondContact CD1-ND2 3.42Å; F581-N609 HydrophobicContact CD2-CB 3.88Å; F581-N609 WeakPolarHBondContact CD2-ND2 3.48Å; F581-N609 VanDerWaalsContact CE1-ND2 3.28Å; F581-N609 WeakPolarHBondContact CE1-ND2 3.39Å; F581-N609 HydrophobicContact CE2-CB 4.27Å; F581-N609 WeakPolarHBondContact CE2-ND2 3.19Å; F581-N609 HydrophobicContact CG-CB 4.16Å; F581-N609 WeakPolarHBondContact CG-ND2 3.27Å; F581-N609 VanDerWaalsContact CZ-ND2 3.31Å; F581-N609 WeakPolarHBondContact CZ-ND2 3.45Å; I605-N609 PolarHBondContact O-N 3.05Å; I605-N609 VanDerWaalsContact O-N 3.08Å; T606-N609 PolarHBondContact O-N 3.11Å; Q607-N609 VanDerWaalsContact C-N 3.25Å; Q607-N609 PolarHBondContact O-N 3.06Å; N609-D611 VanDerWaalsContact C-N 3.34Å; N609-D611 PolarHBondContact O-N 3.29Å; N609-N612 PolarHBondContact O-N 3.02Å; N609-N612 VanDerWaalsContact O-N 3.14Å
610	K	79.5	Confident	76.4	Confident	159 Å²	159	78.1 Å²	78.1	69%	0.691	38%	0.383	S	S	*	.	H	α-helix	trans	-64.3	-37	174.9	-76.9	175.1	-178.6	175.3	0	111.8	T606 Q607 N612 G613	T606-K610 WeakPolarHBondContact O-CG 3.39Å; T606-K610 PolarHBondContact O-N 3.21Å; T606-K610 VanDerWaalsContact O-N 3.13Å; Q607-K610 WeakPolarHBondContact O-CB 3.42Å; Q607-K610 PolarHBondContact O-N 2.98Å; K610-N612 PolarHBondContact O-N 3.08Å; K610-G613 PolarHBondContact O-N 2.82Å
611	D	73.8	Confident	76	Confident	107.667 Å²	107.667	72.3 Å²	72.3	58%	0.576	36%	0.358	S	S	*	.	H	α-helix	trans	-68.2	-21.5	-179.5	-61.8	-20.6	0	0	0	112.8	Q607 N609	Q607-D611 PolarHBondContact NE2-OD1 3.07Å; Q607-D611 VanDerWaalsContact NE2-OD1 3.08Å; Q607-D611 VanDerWaalsContact O-CG 3.28Å; Q607-D611 PolarHBondContact O-N 3.09Å; N609-D611 VanDerWaalsContact C-N 3.34Å; N609-D611 PolarHBondContact O-N 3.29Å
612	N	68.2	Low	75.7	Confident	18.6667 Å²	18.6667	71.2 Å²	71.2	10%	0.1	35%	0.354	C	S	.	.	H	α-helix	trans	-84.2	-8.8	-179.5	-70.5	1.1	0	0	0	112.4	R573 I577 L608 N609 K610 F616	R573-N612 PolarHBondContact NH1-OD1 2.93Å; R573-N612 PolarHBondContact NH2-OD1 3.3Å; I577-N612 WeakPolarHBondContact CD1-ND2 3.34Å; L608-N612 PolarHBondContact O-N 2.99Å; L608-N612 PolarHBondContact O-OD1 3.23Å; L608-N612 VanDerWaalsContact O-OD1 3.12Å; N609-N612 PolarHBondContact O-N 3.02Å; N609-N612 VanDerWaalsContact O-N 3.14Å; K610-N612 PolarHBondContact O-N 3.08Å; N612-F616 HydrophobicContact CB-CB 4.41Å; N612-F616 HydrophobicContact CB-CD1 3.72Å; N612-F616 HydrophobicContact CB-CE1 4.27Å; N612-F616 HydrophobicContact CB-CG 4.27Å; N612-F616 WeakPolarHBondContact O-CB 3.27Å
613	G	56.4	Low	75.6	Confident	39.6667 Å²	39.6667	67.2 Å²	67.2	41%	0.409	34%	0.335	S	S	.	.	H	α-helix	trans	40.7	164.2	-176.2	0	0	0	0	0	114.7	K610 L615 F616	K610-G613 PolarHBondContact O-N 2.82Å; G613-L615 VanDerWaalsContact C-N 3.31Å; G613-L615 PolarHBondContact O-N 2.91Å; G613-F616 WeakPolarHBondContact O-CA 3.15Å; G613-F616 WeakPolarHBondContact O-CB 3.41Å; G613-F616 PolarHBondContact O-N 3.03Å
614	F	56.9	Low	75.4	Confident	161 Å²	161	64 Å²	64	71%	0.706	32%	0.316	S	S	*	.	H	α-helix	trans	-59.4	-40.3	-175.3	176.4	-106.6	0	0	0	114.3	F616 S617 I618	F614-F616 VanDerWaalsContact C-N 3.3Å; F614-F616 PolarHBondContact O-N 3.29Å; F614-S617 PolarHBondContact O-N 3.26Å; F614-I618 HydrophobicContact CD1-CD1 3.85Å; F614-I618 HydrophobicContact CD2-CD1 4.38Å; F614-I618 HydrophobicContact CE1-CD1 3.26Å; F614-I618 HydrophobicContact CE1-CG1 4.43Å; F614-I618 HydrophobicContact CE2-CD1 3.98Å; F614-I618 HydrophobicContact CE2-CG1 4.43Å; F614-I618 HydrophobicContact CG-CD1 4.35Å; F614-I618 HydrophobicContact CZ-CD1 3.35Å; F614-I618 VanDerWaalsContact CZ-CD1 3.47Å; F614-I618 HydrophobicContact CZ-CG1 4.33Å; F614-I618 PolarHBondContact O-N 3.15Å
615	L	50.9	Low	75.1	Confident	122 Å²	122	61 Å²	61	64%	0.639	30%	0.301	S	S	*	.	H	α-helix	trans	-65.5	-30.7	-179.7	-77.3	164.6	0	0	0	112.6	G613 R619	G613-L615 VanDerWaalsContact C-N 3.31Å; G613-L615 PolarHBondContact O-N 2.91Å; L615-R619 WeakPolarHBondContact O-CG 3.23Å; L615-R619 PolarHBondContact O-N 3.23Å
616	F	64	Low	74.7	Confident	44.3333 Å²	44.3333	66.7 Å²	66.7	19%	0.194	32%	0.323	C	S	.	.	H	α-helix	trans	-68.1	-39.4	176.4	-171.4	-94.6	0	0	0	111.2	N570 S574 N612 G613 F614 I618 R619 N620	N570-F616 HydrophobicContact CB-CE2 3.85Å; N570-F616 HydrophobicContact CB-CZ 3.78Å; N570-F616 WeakPolarHBondContact O-CZ 3.47Å; S574-F616 WeakPolarHBondContact OG-CE1 3.31Å; N612-F616 HydrophobicContact CB-CB 4.41Å; N612-F616 HydrophobicContact CB-CD1 3.72Å; N612-F616 HydrophobicContact CB-CE1 4.27Å; N612-F616 HydrophobicContact CB-CG 4.27Å; N612-F616 WeakPolarHBondContact O-CB 3.27Å; G613-F616 WeakPolarHBondContact O-CA 3.15Å; G613-F616 WeakPolarHBondContact O-CB 3.41Å; G613-F616 PolarHBondContact O-N 3.03Å; F614-F616 VanDerWaalsContact C-N 3.3Å; F614-F616 PolarHBondContact O-N 3.29Å; F616-I618 VanDerWaalsContact C-N 3.34Å; F616-I618 PolarHBondContact O-N 3.06Å; F616-R619 PolarHBondContact O-N 3.26Å; F616-N620 WeakPolarHBondContact CD1-ND2 3.29Å; F616-N620 VanDerWaalsContact CD2-ND2 3.31Å; F616-N620 WeakPolarHBondContact CD2-ND2 3.37Å; F616-N620 WeakPolarHBondContact CE1-ND2 3.3Å; F616-N620 WeakPolarHBondContact CE2-ND2 3.33Å; F616-N620 WeakPolarHBondContact CG-ND2 3.37Å; F616-N620 VanDerWaalsContact CZ-ND2 3.28Å; F616-N620 WeakPolarHBondContact CZ-ND2 3.33Å; F616-N620 VanDerWaalsContact O-CB 3.29Å; F616-N620 WeakPolarHBondContact O-CB 3.31Å; F616-N620 PolarHBondContact O-N 3.02Å; F616-N620 PolarHBondContact O-ND2 3.03Å; F616-N620 VanDerWaalsContact O-ND2 3.12Å
617	S	58.5	Low	74.3	Confident	32.6667 Å²	32.6667	67.2 Å²	67.2	23%	0.228	32%	0.323	C	S	.	.	H	α-helix	trans	-69	-29	179.2	-56.1	0	0	0	0	114.1	F614	F614-S617 PolarHBondContact O-N 3.26Å
618	I	60.2	Low	73.6	Confident	95.3333 Å²	95.3333	65.9 Å²	65.9	49%	0.489	32%	0.317	S	S	.	.	H	α-helix	trans	-79.5	-39.8	178.8	-67.4	169.7	0	0	0	111.6	F614 F616 N620	F614-I618 HydrophobicContact CD1-CD1 3.85Å; F614-I618 HydrophobicContact CD2-CD1 4.38Å; F614-I618 HydrophobicContact CE1-CD1 3.26Å; F614-I618 HydrophobicContact CE1-CG1 4.43Å; F614-I618 HydrophobicContact CE2-CD1 3.98Å; F614-I618 HydrophobicContact CE2-CG1 4.43Å; F614-I618 HydrophobicContact CG-CD1 4.35Å; F614-I618 HydrophobicContact CZ-CD1 3.35Å; F614-I618 VanDerWaalsContact CZ-CD1 3.47Å; F614-I618 HydrophobicContact CZ-CG1 4.33Å; F614-I618 PolarHBondContact O-N 3.15Å; F616-I618 VanDerWaalsContact C-N 3.34Å; F616-I618 PolarHBondContact O-N 3.06Å; I618-N620 VanDerWaalsContact C-N 3.29Å; I618-N620 PolarHBondContact O-N 3.33Å
619	R	66.2	Low	72.7	Confident	168 Å²	168	71.2 Å²	71.2	63%	0.634	34%	0.339	S	S	*	.	H	α-helix	trans	-80.6	-16.1	-174.8	-71.9	-176.7	174.4	-168.3	-1.7	113.5	L615 F616	L615-R619 WeakPolarHBondContact O-CG 3.23Å; L615-R619 PolarHBondContact O-N 3.23Å; F616-R619 PolarHBondContact O-N 3.26Å
620	N	79.2	Confident	71.4	Confident	17.6667 Å²	17.6667	71.3 Å²	71.3	9%	0.094	34%	0.341	C	S	.	.	S	Bend	trans	-118	170	-173.9	-60.7	-30.6	0	0	0	111.7	Q571 S574 F616 I618	Q571-N620 PolarHBondContact NE2-OD1 2.94Å; S574-N620 WeakPolarHBondContact OG-CB 3.27Å; F616-N620 WeakPolarHBondContact CD1-ND2 3.29Å; F616-N620 VanDerWaalsContact CD2-ND2 3.31Å; F616-N620 WeakPolarHBondContact CD2-ND2 3.37Å; F616-N620 WeakPolarHBondContact CE1-ND2 3.3Å; F616-N620 WeakPolarHBondContact CE2-ND2 3.33Å; F616-N620 WeakPolarHBondContact CG-ND2 3.37Å; F616-N620 VanDerWaalsContact CZ-ND2 3.28Å; F616-N620 WeakPolarHBondContact CZ-ND2 3.33Å; F616-N620 VanDerWaalsContact O-CB 3.29Å; F616-N620 WeakPolarHBondContact O-CB 3.31Å; F616-N620 PolarHBondContact O-N 3.02Å; F616-N620 PolarHBondContact O-ND2 3.03Å; F616-N620 VanDerWaalsContact O-ND2 3.12Å; I618-N620 VanDerWaalsContact C-N 3.29Å; I618-N620 PolarHBondContact O-N 3.33Å
621	S	84.3	Confident	70.1	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	34%	0.342	C	S	.	.			trans	-57.1	140.7	173	-55.2	0	0	0	0	110.7	Q571 S574 Y575 T641 Y643	Q571-S621 WeakPolarHBondContact O-CB 3.34Å; Q571-S621 PolarHBondContact OE1-OG 2.91Å; Q571-S621 VanDerWaalsContact OE1-OG 3.06Å; S574-S621 CarbonylContact C-O 3.56Å; S574-S621 VanDerWaalsContact CB-O 3.22Å; S574-S621 WeakPolarHBondContact CB-O 3.24Å; S574-S621 PolarHBondContact OG-O 3.41Å; Y575-S621 PolarHBondContact N-O 3.03Å; S621-T641 CarbonylContact C-O 3.54Å; S621-T641 VanDerWaalsContact CA-O 3.24Å; S621-T641 WeakPolarHBondContact CA-O 3.3Å; S621-T641 WeakPolarHBondContact CB-O 3.27Å; S621-Y643 PolarHBondContact OG-N 3.17Å; S621-Y643 PolarHBondContact OG-O 2.94Å
622	G	86.6	Confident	69.1	Low	0.666667 Å²	0.666667	69.8 Å²	69.8	1%	0.007	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	150.9	-173.5	0	0	0	0	0	113.8	S578 T640 T641	S578-G622 WeakPolarHBondContact OG-CA 3.42Å; G622-T640 WeakPolarHBondContact O-CA 3.39Å; G622-T641 PolarHBondContact N-O 2.81Å; G622-T641 PolarHBondContact N-OG1 3.05Å; G622-T641 PolarHBondContact O-N 3.05Å; G622-T641 PolarHBondContact O-OG1 2.93Å
623	Y	89.8	Confident	68.8	Low	5 Å²	5	69.7 Å²	69.7	2%	0.02	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128	170.2	178	-90.6	0	0	0	110	S578 K579 S582 K591 E625 E638 L639 T640	S578-Y623 CarbonylContact C-O 3.47Å; S578-Y623 WeakPolarHBondContact CB-O 3.38Å; S578-Y623 PolarHBondContact OG-N 3.03Å; K579-Y623 HydrophobicContact CB-CD1 4.38Å; K579-Y623 HydrophobicContact CB-CG 4.46Å; K579-Y623 HydrophobicContact CD-CD1 3.3Å; K579-Y623 HydrophobicContact CD-CD2 3.97Å; K579-Y623 HydrophobicContact CD-CE1 3.6Å; K579-Y623 HydrophobicContact CD-CE2 4.27Å; K579-Y623 HydrophobicContact CD-CG 3.47Å; K579-Y623 VanDerWaalsContact CD-CG 3.47Å; K579-Y623 HydrophobicContact CG-CD1 4.4Å; K579-Y623 PolarHBondContact NZ-OH 3Å; K579-Y623 VanDerWaalsContact NZ-OH 3.15Å; S582-Y623 PolarHBondContact OG-O 3.4Å; S582-Y623 VanDerWaalsContact OG-O 3.13Å; K591-Y623 PolarHBondContact NZ-OH 3.12Å; Y623-E625 HydrophobicContact CD1-CG 4.36Å; Y623-E625 HydrophobicContact CE1-CB 4.13Å; Y623-E625 HydrophobicContact CE1-CG 3.37Å; Y623-E625 WeakPolarHBondContact CE1-OE1 3.44Å; Y623-E625 WeakPolarHBondContact OH-CG 3.34Å; Y623-E625 PolarHBondContact OH-OE1 3.48Å; Y623-E625 PolarHBondContact OH-OE2 3.34Å; Y623-E638 HydrophobicContact CE2-CB 4.36Å; Y623-E638 PolarHBondContact OH-OE2 3.47Å; Y623-L639 WeakPolarHBondContact CA-O 3.48Å; Y623-T640 WeakPolarHBondContact CD2-OG1 3.29Å
624	H	86.7	Confident	69.5	Low	63.3333 Å²	63.3333	70.2 Å²	70.2	29%	0.293	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.3	-177.3	-56.1	92.3	0	0	0	110.4	W626 E638 L639	H624-W626 HydrophobicContact CB-CE3 4.35Å; H624-W626 HydrophobicContact CB-CH2 3.31Å; H624-W626 HydrophobicContact CB-CZ2 3.63Å; H624-W626 HydrophobicContact CB-CZ3 3.75Å; H624-W626 AromaticContact CG-CH2 3.97Å; H624-E638 CarbonylContact O-C 3.54Å; H624-E638 WeakPolarHBondContact O-CA 3.31Å; H624-L639 PolarHBondContact N-O 3.2Å; H624-L639 PolarHBondContact O-N 3.02Å
625	E	85	Confident	70.5	Confident	27.6667 Å²	27.6667	64.6 Å²	64.6	13%	0.129	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.5	173.8	-145.1	178.7	158.2	0	0	109.8	S582 T586 K591 Y623 I637 E638	S582-E625 WeakPolarHBondContact OG-CB 3.49Å; S582-E625 PolarHBondContact OG-N 3.13Å; T586-E625 WeakPolarHBondContact CB-OE1 3.36Å; T586-E625 VanDerWaalsContact CB-OE2 3.31Å; T586-E625 WeakPolarHBondContact CB-OE2 3.46Å; T586-E625 PolarHBondContact OG1-OE1 2.87Å; T586-E625 PolarHBondContact OG1-OE2 2.89Å; K591-E625 IonicContact NZ-OE1 2.76Å; K591-E625 PolarHBondContact NZ-OE1 3.04Å; K591-E625 IonicContact NZ-OE2 3.36Å; K591-E625 PolarHBondContact NZ-OE2 2.84Å; Y623-E625 HydrophobicContact CD1-CG 4.36Å; Y623-E625 HydrophobicContact CE1-CB 4.13Å; Y623-E625 HydrophobicContact CE1-CG 3.37Å; Y623-E625 WeakPolarHBondContact CE1-OE1 3.44Å; Y623-E625 WeakPolarHBondContact OH-CG 3.34Å; Y623-E625 PolarHBondContact OH-OE1 3.48Å; Y623-E625 PolarHBondContact OH-OE2 3.34Å; E625-I637 CarbonylContact C-O 3.57Å; E625-I637 VanDerWaalsContact CA-O 3.3Å; E625-I637 WeakPolarHBondContact CA-O 3.47Å; E625-E638 HydrophobicContact CG-CG 4.29Å
626	W	81.5	Confident	72.1	Confident	122.333 Å²	122.333	58.9 Å²	58.9	46%	0.463	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	152.9	171.9	-27.9	-94.3	0	0	0	110.8	H624 F636 I637 L639	H624-W626 HydrophobicContact CB-CE3 4.35Å; H624-W626 HydrophobicContact CB-CH2 3.31Å; H624-W626 HydrophobicContact CB-CZ2 3.63Å; H624-W626 HydrophobicContact CB-CZ3 3.75Å; H624-W626 AromaticContact CG-CH2 3.97Å; W626-F636 WeakPolarHBondContact O-CA 3.27Å; W626-I637 HydrophobicContact CB-CB 4.44Å; W626-I637 HydrophobicContact CD2-CB 4Å; W626-I637 HydrophobicContact CD2-CG2 4.37Å; W626-I637 HydrophobicContact CE3-CB 4.26Å; W626-I637 HydrophobicContact CE3-CG2 4.09Å; W626-I637 HydrophobicContact CH2-CB 4Å; W626-I637 HydrophobicContact CH2-CG2 3.28Å; W626-I637 HydrophobicContact CZ2-CB 3.63Å; W626-I637 HydrophobicContact CZ2-CD1 3.8Å; W626-I637 HydrophobicContact CZ2-CG1 4.3Å; W626-I637 HydrophobicContact CZ2-CG2 3.27Å; W626-I637 HydrophobicContact CZ3-CB 4.32Å; W626-I637 HydrophobicContact CZ3-CG2 4.19Å; W626-I637 PolarHBondContact N-O 3.14Å; W626-I637 PolarHBondContact O-N 2.96Å; W626-L639 HydrophobicContact CH2-CB 4.06Å; W626-L639 HydrophobicContact CH2-CD2 3.99Å; W626-L639 HydrophobicContact CZ3-CB 3.69Å; W626-L639 VanDerWaalsContact CZ3-CB 3.48Å; W626-L639 HydrophobicContact CZ3-CD2 4.35Å
627	I	79.1	Confident	73.2	Confident	45.6667 Å²	45.6667	59.4 Å²	59.4	23%	0.234	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.5	-176.6	-60.3	171.1	0	0	0	108.9	H587 K629 I634 F635 F636	H587-I627 HydrophobicContact CB-CD1 3.53Å; H587-I627 VanDerWaalsContact CD2-CD1 3.48Å; H587-I627 WeakPolarHBondContact CD2-CD1 3.41Å; I627-K629 HydrophobicContact CG2-CG 4.19Å; I627-I634 HydrophobicContact CG2-CG2 3.52Å; I627-I634 VanDerWaalsContact CG2-CG2 3.46Å; I627-F635 WeakPolarHBondContact CA-O 3.26Å; I627-F636 HydrophobicContact CD1-CD1 4.18Å; I627-F636 HydrophobicContact CD1-CE1 3.91Å; I627-F636 VanDerWaalsContact CD1-CE1 3.47Å; I627-F636 HydrophobicContact CD1-CZ 4.4Å; I627-F636 HydrophobicContact CG1-CD1 3.72Å; I627-F636 HydrophobicContact CG1-CE1 3.88Å; I627-F636 HydrophobicContact CG2-CE1 4.3Å
628	Q	70.1	Confident	74.7	Confident	81 Å²	81	58.5 Å²	58.5	38%	0.379	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	106.3	170.2	-175.8	64.8	29.9	0	0	108.9	T630 I634 F635	Q628-T630 HydrophobicContact CG-CG2 3.92Å; Q628-I634 CarbonylContact O-C 3.17Å; Q628-I634 WeakPolarHBondContact O-CA 3.02Å; Q628-F635 HydrophobicContact CB-CB 4.31Å; Q628-F635 PolarHBondContact N-O 2.96Å; Q628-F635 PolarHBondContact O-N 3.21Å; Q628-F635 VanDerWaalsContact O-N 3.16Å
629	K	66.4	Low	76.1	Confident	146.333 Å²	146.333	56.2 Å²	56.2	64%	0.636	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.6	171.4	-64.9	-175.8	-178.3	179.2	0	108.8	I627 I634	I627-K629 HydrophobicContact CG2-CG 4.19Å; K629-I634 HydrophobicContact CG-CD1 4.49Å; K629-I634 HydrophobicContact CG-CG1 4.27Å; K629-I634 HydrophobicContact CG-CG2 4.38Å
630	T	56.9	Low	77.3	Confident	40 Å²	40	48.8 Å²	48.8	25%	0.245	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	164.5	175.4	72.5	0	0	0	0	109.8	Q628 Y632 G633 F635	Q628-T630 HydrophobicContact CG-CG2 3.92Å; T630-Y632 PolarHBondContact O-N 3.19Å; T630-Y632 VanDerWaalsContact O-N 3.13Å; T630-Y632 PolarHBondContact OG1-N 2.99Å; T630-G633 WeakPolarHBondContact CA-O 2.79Å; T630-G633 WeakPolarHBondContact CB-O 3.08Å; T630-G633 PolarHBondContact N-O 3.24Å; T630-G633 VanDerWaalsContact N-O 3.15Å; T630-G633 PolarHBondContact O-N 2.93Å; T630-G633 PolarHBondContact OG1-N 2.75Å; T630-G633 PolarHBondContact OG1-O 2.98Å; T630-F635 HydrophobicContact CG2-CD2 4.06Å; T630-F635 HydrophobicContact CG2-CE2 4.16Å
631	K	51.7	Low	77.7	Confident	162.667 Å²	162.667	49 Å²	49	71%	0.707	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.4	173	-67.7	-171.8	177.8	-172.5	0	113.3	Y944	K631-Y944 HydrophobicContact CD-CE1 4.37Å; K631-Y944 PolarHBondContact NZ-OH 2.98Å
632	Y	52.7	Low	77.9	Confident	71.6667 Å²	71.6667	49.1 Å²	49.1	28%	0.281	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-5.9	-171.2	-49.6	-76.4	0	0	0	113.3	Y218 Q249 T630 Y659	Y218-Y632 HydrophobicContact CD1-CD1 4.2Å; Y218-Y632 HydrophobicContact CE1-CD1 4.02Å; Q249-Y632 HydrophobicContact CB-CE2 3.99Å; Q249-Y632 WeakPolarHBondContact CB-OH 3.47Å; Q249-Y632 PolarHBondContact OE1-OH 2.84Å; T630-Y632 PolarHBondContact O-N 3.19Å; T630-Y632 VanDerWaalsContact O-N 3.13Å; T630-Y632 PolarHBondContact OG1-N 2.99Å; Y632-Y659 PolarHBondContact O-OH 3.06Å
633	G	61.7	Low	77.7	Confident	15.6667 Å²	15.6667	51 Å²	51	16%	0.162	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.5	-178.7	-176	0	0	0	0	0	113	T630 Q660	T630-G633 WeakPolarHBondContact CA-O 2.79Å; T630-G633 WeakPolarHBondContact CB-O 3.08Å; T630-G633 PolarHBondContact N-O 3.24Å; T630-G633 VanDerWaalsContact N-O 3.15Å; T630-G633 PolarHBondContact O-N 2.93Å; T630-G633 PolarHBondContact OG1-N 2.75Å; T630-G633 PolarHBondContact OG1-O 2.98Å; G633-Q660 CarbonylContact C-O 3.49Å; G633-Q660 WeakPolarHBondContact CA-O 3.29Å
634	I	71.7	Confident	77.2	Confident	51 Å²	51	52.4 Å²	52.4	26%	0.262	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.7	-176.7	-53	176.9	0	0	0	109	I627 Q628 K629 F636 Y659 Q660	I627-I634 HydrophobicContact CG2-CG2 3.52Å; I627-I634 VanDerWaalsContact CG2-CG2 3.46Å; Q628-I634 CarbonylContact O-C 3.17Å; Q628-I634 WeakPolarHBondContact O-CA 3.02Å; K629-I634 HydrophobicContact CG-CD1 4.49Å; K629-I634 HydrophobicContact CG-CG1 4.27Å; K629-I634 HydrophobicContact CG-CG2 4.38Å; I634-F636 HydrophobicContact CB-CE2 4.03Å; I634-F636 HydrophobicContact CB-CZ 4.24Å; I634-F636 HydrophobicContact CG2-CD1 4.41Å; I634-F636 HydrophobicContact CG2-CD2 4.24Å; I634-F636 HydrophobicContact CG2-CE1 4.05Å; I634-F636 HydrophobicContact CG2-CE2 3.59Å; I634-F636 HydrophobicContact CG2-CZ 3.49Å; I634-Y659 CarbonylContact O-C 3.37Å; I634-Y659 WeakPolarHBondContact O-CA 3.34Å; I634-Q660 HydrophobicContact CB-CB 4.41Å; I634-Q660 PolarHBondContact N-O 3.2Å; I634-Q660 PolarHBondContact O-N 3.04Å; I634-Q660 VanDerWaalsContact O-N 3.08Å
635	F	78	Confident	76.4	Confident	43.3333 Å²	43.3333	51.5 Å²	51.5	19%	0.19	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.7	171.4	-67.9	-88.6	0	0	0	110.2	I627 Q628 T630 L657 K658 Y659	I627-F635 WeakPolarHBondContact CA-O 3.26Å; Q628-F635 HydrophobicContact CB-CB 4.31Å; Q628-F635 PolarHBondContact N-O 2.96Å; Q628-F635 PolarHBondContact O-N 3.21Å; Q628-F635 VanDerWaalsContact O-N 3.16Å; T630-F635 HydrophobicContact CG2-CD2 4.06Å; T630-F635 HydrophobicContact CG2-CE2 4.16Å; F635-L657 HydrophobicContact CB-CD1 4.24Å; F635-L657 HydrophobicContact CD1-CD1 4.06Å; F635-L657 HydrophobicContact CD1-CD2 4.24Å; F635-L657 HydrophobicContact CD1-CG 4.39Å; F635-L657 HydrophobicContact CG-CD1 4.49Å; F635-K658 CarbonylContact C-O 3.52Å; F635-K658 VanDerWaalsContact CA-O 3.24Å; F635-K658 WeakPolarHBondContact CA-O 3.39Å; F635-Y659 AromaticContact CD1-CD2 3.92Å; F635-Y659 HydrophobicContact CD1-CD2 3.92Å; F635-Y659 HydrophobicContact CD1-CG 4.47Å; F635-Y659 HydrophobicContact CD2-CD2 4.3Å; F635-Y659 AromaticContact CE1-CD2 3.49Å; F635-Y659 HydrophobicContact CE1-CD2 3.49Å; F635-Y659 VanDerWaalsContact CE1-CD2 3.47Å; F635-Y659 HydrophobicContact CE1-CE2 4.31Å; F635-Y659 HydrophobicContact CE1-CG 4.04Å; F635-Y659 AromaticContact CE2-CD2 3.89Å; F635-Y659 HydrophobicContact CE2-CD2 3.89Å; F635-Y659 HydrophobicContact CE2-CE2 4.06Å; F635-Y659 HydrophobicContact CG-CD2 4.31Å; F635-Y659 AromaticContact CZ-CD2 3.47Å; F635-Y659 HydrophobicContact CZ-CD2 3.47Å; F635-Y659 VanDerWaalsContact CZ-CD2 3.45Å; F635-Y659 AromaticContact CZ-CE2 3.83Å; F635-Y659 HydrophobicContact CZ-CE2 3.83Å; F635-Y659 HydrophobicContact CZ-CG 4.36Å
636	F	84.1	Confident	75.6	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.5	174.5	-56.9	-93.4	0	0	0	108.7	H587 D588 W626 I627 I634 L657 K658 Q660 L665	H587-F636 VanDerWaalsContact C-CE1 3.4Å; H587-F636 HydrophobicContact CB-CE1 4.37Å; H587-F636 WeakPolarHBondContact O-CE1 3.46Å; H587-F636 WeakPolarHBondContact O-CZ 3.36Å; D588-F636 HydrophobicContact CB-CD1 4.15Å; D588-F636 HydrophobicContact CB-CE1 4.11Å; W626-F636 WeakPolarHBondContact O-CA 3.27Å; I627-F636 HydrophobicContact CD1-CD1 4.18Å; I627-F636 HydrophobicContact CD1-CE1 3.91Å; I627-F636 VanDerWaalsContact CD1-CE1 3.47Å; I627-F636 HydrophobicContact CD1-CZ 4.4Å; I627-F636 HydrophobicContact CG1-CD1 3.72Å; I627-F636 HydrophobicContact CG1-CE1 3.88Å; I627-F636 HydrophobicContact CG2-CE1 4.3Å; I634-F636 HydrophobicContact CB-CE2 4.03Å; I634-F636 HydrophobicContact CB-CZ 4.24Å; I634-F636 HydrophobicContact CG2-CD1 4.41Å; I634-F636 HydrophobicContact CG2-CD2 4.24Å; I634-F636 HydrophobicContact CG2-CE1 4.05Å; I634-F636 HydrophobicContact CG2-CE2 3.59Å; I634-F636 HydrophobicContact CG2-CZ 3.49Å; F636-L657 CarbonylContact O-C 3.51Å; F636-L657 VanDerWaalsContact O-CA 3.32Å; F636-L657 WeakPolarHBondContact O-CA 3.23Å; F636-K658 HydrophobicContact CB-CB 4.15Å; F636-K658 HydrophobicContact CD2-CB 4.28Å; F636-K658 PolarHBondContact N-O 2.85Å; F636-K658 PolarHBondContact O-N 2.9Å; F636-Q660 HydrophobicContact CE2-CB 3.84Å; F636-L665 HydrophobicContact CD2-CD1 4.03Å; F636-L665 HydrophobicContact CE2-CD1 4.07Å
637	I	85.8	Confident	74.8	Confident	55.6667 Å²	55.6667	53.8 Å²	53.8	29%	0.285	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.1	176.5	-58.5	166.3	0	0	0	107.6	E625 W626 R656 L657	E625-I637 CarbonylContact C-O 3.57Å; E625-I637 VanDerWaalsContact CA-O 3.3Å; E625-I637 WeakPolarHBondContact CA-O 3.47Å; W626-I637 HydrophobicContact CB-CB 4.44Å; W626-I637 HydrophobicContact CD2-CB 4Å; W626-I637 HydrophobicContact CD2-CG2 4.37Å; W626-I637 HydrophobicContact CE3-CB 4.26Å; W626-I637 HydrophobicContact CE3-CG2 4.09Å; W626-I637 HydrophobicContact CH2-CB 4Å; W626-I637 HydrophobicContact CH2-CG2 3.28Å; W626-I637 HydrophobicContact CZ2-CB 3.63Å; W626-I637 HydrophobicContact CZ2-CD1 3.8Å; W626-I637 HydrophobicContact CZ2-CG1 4.3Å; W626-I637 HydrophobicContact CZ2-CG2 3.27Å; W626-I637 HydrophobicContact CZ3-CB 4.32Å; W626-I637 HydrophobicContact CZ3-CG2 4.19Å; W626-I637 PolarHBondContact N-O 3.14Å; W626-I637 PolarHBondContact O-N 2.96Å; I637-R656 CarbonylContact C-O 3.52Å; I637-R656 WeakPolarHBondContact CA-O 3.37Å; I637-L657 HydrophobicContact CD1-CD1 4.39Å; I637-L657 HydrophobicContact CG1-CD1 3.6Å
638	E	90.3	Very high	74.1	Confident	12.6667 Å²	12.6667	55.5 Å²	55.5	6%	0.059	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.2	175.1	-53.7	177.2	-177.5	0	0	108.9	K591 Y623 H624 E625 M655 R656 K658	K591-E638 IonicContact NZ-OE1 2.79Å; K591-E638 PolarHBondContact NZ-OE1 2.89Å; K591-E638 IonicContact NZ-OE2 3.55Å; Y623-E638 HydrophobicContact CE2-CB 4.36Å; Y623-E638 PolarHBondContact OH-OE2 3.47Å; H624-E638 CarbonylContact O-C 3.54Å; H624-E638 WeakPolarHBondContact O-CA 3.31Å; E625-E638 HydrophobicContact CG-CG 4.29Å; E638-M655 CarbonylContact O-C 3.5Å; E638-M655 VanDerWaalsContact O-CA 3.29Å; E638-M655 WeakPolarHBondContact O-CA 3.39Å; E638-R656 HydrophobicContact CB-CB 4.2Å; E638-R656 PolarHBondContact N-O 2.94Å; E638-R656 PolarHBondContact O-N 3.36Å; E638-R656 IonicContact OE1-CZ 2.78Å; E638-R656 IonicContact OE1-NE 3.5Å; E638-R656 IonicContact OE1-NH2 3.53Å; E638-R656 PolarHBondContact OE1-NH2 3.09Å; E638-R656 WeakPolarHBondContact OE2-CD 3.44Å; E638-R656 IonicContact OE2-CZ 3.52Å; E638-R656 IonicContact OE2-NE 3.68Å; E638-R656 PolarHBondContact OE2-NE 3.17Å; E638-R656 IonicContact OE2-NH1 2.65Å; E638-R656 PolarHBondContact OE2-NH1 2.78Å; E638-R656 IonicContact OE2-NH2 3.4Å; E638-R656 PolarHBondContact OE2-NH2 3.27Å; E638-K658 WeakPolarHBondContact OE1-CE 3.44Å; E638-K658 IonicContact OE1-NZ 3.15Å; E638-K658 PolarHBondContact OE1-NZ 3.06Å; E638-K658 IonicContact OE2-NZ 3.9Å
639	L	90.1	Very high	74.1	Confident	48 Å²	48	54 Å²	54	25%	0.251	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128	174.3	-176.9	70.4	0	0	0	109.5	Y623 H624 W626 L653 K654 M655	Y623-L639 WeakPolarHBondContact CA-O 3.48Å; H624-L639 PolarHBondContact N-O 3.2Å; H624-L639 PolarHBondContact O-N 3.02Å; W626-L639 HydrophobicContact CH2-CB 4.06Å; W626-L639 HydrophobicContact CH2-CD2 3.99Å; W626-L639 HydrophobicContact CZ3-CB 3.69Å; W626-L639 VanDerWaalsContact CZ3-CB 3.48Å; W626-L639 HydrophobicContact CZ3-CD2 4.35Å; L639-L653 HydrophobicContact CD1-CD1 3.89Å; L639-L653 HydrophobicContact CD1-CG 4.44Å; L639-K654 CarbonylContact C-O 3.53Å; L639-K654 WeakPolarHBondContact CA-O 3.16Å; L639-M655 HydrophobicContact CD1-CB 4.37Å; L639-M655 HydrophobicContact CD1-CG 4.41Å
640	T	90.8	Very high	74.6	Confident	13.3333 Å²	13.3333	48.3 Å²	48.3	8%	0.082	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.1	177	-54.1	0	0	0	0	108.8	Y575 G622 Y623 I642 L653 K654	Y575-T640 HydrophobicContact CE2-CG2 3.63Å; Y575-T640 WeakPolarHBondContact OH-CG2 3.41Å; G622-T640 WeakPolarHBondContact O-CA 3.39Å; Y623-T640 WeakPolarHBondContact CD2-OG1 3.29Å; T640-I642 HydrophobicContact CG2-CD1 4.28Å; T640-I642 HydrophobicContact CG2-CG1 4.09Å; T640-L653 WeakPolarHBondContact O-CA 3.45Å; T640-K654 PolarHBondContact N-O 2.79Å; T640-K654 PolarHBondContact O-N 3.09Å
641	T	88.7	Confident	75.7	Confident	21 Å²	21	47 Å²	47	13%	0.129	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.5	172.4	49.9	0	0	0	0	108.8	S621 G622 L653	S621-T641 CarbonylContact C-O 3.54Å; S621-T641 VanDerWaalsContact CA-O 3.24Å; S621-T641 WeakPolarHBondContact CA-O 3.3Å; S621-T641 WeakPolarHBondContact CB-O 3.27Å; G622-T641 PolarHBondContact N-O 2.81Å; G622-T641 PolarHBondContact N-OG1 3.05Å; G622-T641 PolarHBondContact O-N 3.05Å; G622-T641 PolarHBondContact O-OG1 2.93Å; T641-L653 HydrophobicContact CG2-CD1 3.68Å
642	I	87.4	Confident	77.2	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.1	177.4	-55.9	176.4	0	0	0	108.6	E539 I542 Y575 T640 P650 N651 T652	E539-I642 HydrophobicContact CB-CG2 4.34Å; E539-I642 HydrophobicContact CG-CG2 4.43Å; I542-I642 HydrophobicContact CB-CD1 4.32Å; I542-I642 HydrophobicContact CD1-CG1 4.4Å; I542-I642 HydrophobicContact CD1-CG2 3.74Å; I542-I642 HydrophobicContact CG2-CD1 3.59Å; I542-I642 VanDerWaalsContact CG2-CD1 3.5Å; I542-I642 HydrophobicContact CG2-CG1 4.16Å; Y575-I642 HydrophobicContact CD2-CG1 4.47Å; Y575-I642 HydrophobicContact CE2-CG1 4.21Å; T640-I642 HydrophobicContact CG2-CD1 4.28Å; T640-I642 HydrophobicContact CG2-CG1 4.09Å; I642-P650 CarbonylContact O-C 3.55Å; I642-P650 VanDerWaalsContact O-C 3.26Å; I642-P650 VanDerWaalsContact O-CA 3.29Å; I642-P650 WeakPolarHBondContact O-CA 3.31Å; I642-P650 WeakPolarHBondContact O-CB 3.42Å; I642-N651 PolarHBondContact O-N 3.02Å; I642-T652 VanDerWaalsContact CB-OG1 3.27Å; I642-T652 WeakPolarHBondContact CB-OG1 3.33Å; I642-T652 HydrophobicContact CD1-CG2 4.3Å; I642-T652 VanDerWaalsContact CD1-OG1 3.24Å; I642-T652 WeakPolarHBondContact CD1-OG1 3.27Å; I642-T652 VanDerWaalsContact CG1-OG1 3.24Å; I642-T652 WeakPolarHBondContact CG1-OG1 3.26Å; I642-T652 PolarHBondContact N-O 3.03Å; I642-T652 PolarHBondContact O-N 3.08Å
643	Y	82.9	Confident	78.8	Confident	40.6667 Å²	40.6667	39 Å²	39	16%	0.159	20%	0.198	C	C	.	.			trans	-113.5	142.5	176.4	-68.4	-95.7	0	0	0	110	Q571 S621 L649 P650	Q571-Y643 WeakPolarHBondContact CG-O 3.23Å; S621-Y643 PolarHBondContact OG-N 3.17Å; S621-Y643 PolarHBondContact OG-O 2.94Å; Y643-L649 WeakPolarHBondContact CD1-O 3.33Å; Y643-L649 VanDerWaalsContact CE1-C 3.5Å; Y643-P650 HydrophobicContact CD1-CB 4.23Å; Y643-P650 HydrophobicContact CD2-CB 4.28Å; Y643-P650 HydrophobicContact CE1-CB 3.95Å; Y643-P650 HydrophobicContact CE1-CG 4.34Å; Y643-P650 HydrophobicContact CE2-CB 4.03Å; Y643-P650 HydrophobicContact CG-CB 4.38Å
644	E	79.2	Confident	80.1	Confident	34 Å²	34	40.4 Å²	40.4	16%	0.159	20%	0.2	C	C	.	.			trans	-83.2	157.6	164	-141.3	54.5	-135.6	0	0	110.3	S537 N538 E539 Y646 S647 N651	S537-E644 VanDerWaalsContact CB-OE1 3.28Å; S537-E644 WeakPolarHBondContact CB-OE1 3.47Å; S537-E644 WeakPolarHBondContact CB-OE2 3.38Å; N538-E644 WeakPolarHBondContact CB-OE1 3.42Å; N538-E644 PolarHBondContact N-OE1 2.92Å; N538-E644 PolarHBondContact N-OE2 2.84Å; N538-E644 VanDerWaalsContact N-OE2 3.16Å; N538-E644 PolarHBondContact ND2-OE1 3.06Å; E539-E644 PolarHBondContact N-OE1 3.35Å; E539-E644 PolarHBondContact N-OE2 2.8Å; E644-Y646 PolarHBondContact O-N 3.39Å; E644-Y646 VanDerWaalsContact O-N 3.16Å; E644-S647 PolarHBondContact N-OG 3.33Å; E644-S647 PolarHBondContact O-N 3Å; E644-S647 VanDerWaalsContact O-N 3.12Å; E644-S647 PolarHBondContact O-OG 2.99Å; E644-N651 WeakPolarHBondContact CB-OD1 3.41Å; E644-N651 PolarHBondContact N-OD1 3.03Å; E644-N651 VanDerWaalsContact N-OD1 3.08Å
645	S	70.6	Confident	80.9	Confident	44.6667 Å²	44.6667	41.6 Å²	41.6	31%	0.312	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	4.3	-173.2	-45.6	0	0	0	0	112.8	N538 D569 S647 Q710	N538-S645 PolarHBondContact ND2-N 2.82Å; N538-S645 PolarHBondContact ND2-OG 2.96Å; D569-S645 PolarHBondContact OD2-OG 3.14Å; S645-S647 PolarHBondContact O-N 2.89Å; S645-S647 VanDerWaalsContact O-N 3.15Å; S645-Q710 PolarHBondContact O-OE1 3.23Å; S645-Q710 VanDerWaalsContact O-OE1 3.09Å
646	Y	66.9	Low	81.4	Confident	181.667 Å²	181.667	43.3 Å²	43.3	71%	0.712	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.3	3.2	179.8	-45.9	-80.6	0	0	0	115.3	E644 Q710	E644-Y646 PolarHBondContact O-N 3.39Å; E644-Y646 VanDerWaalsContact O-N 3.16Å; Y646-Q710 VanDerWaalsContact CB-NE2 3.33Å; Y646-Q710 PolarHBondContact O-NE2 3.27Å
647	S	66.7	Low	81.5	Confident	16.6667 Å²	16.6667	44.8 Å²	44.8	12%	0.117	22%	0.218	C	C	.	.			trans	-79.4	134.5	178.7	155.9	0	0	0	0	111.5	E644 S645 L649 N651 Y675 E678	E644-S647 PolarHBondContact N-OG 3.33Å; E644-S647 PolarHBondContact O-N 3Å; E644-S647 VanDerWaalsContact O-N 3.12Å; E644-S647 PolarHBondContact O-OG 2.99Å; S645-S647 PolarHBondContact O-N 2.89Å; S645-S647 VanDerWaalsContact O-N 3.15Å; S647-L649 WeakPolarHBondContact CB-O 3.2Å; S647-L649 PolarHBondContact OG-N 3.14Å; S647-L649 PolarHBondContact OG-O 3.18Å; S647-N651 WeakPolarHBondContact CB-OD1 3.18Å; S647-N651 PolarHBondContact OG-OD1 3.36Å; S647-Y675 WeakPolarHBondContact CB-OH 3.39Å; S647-Y675 PolarHBondContact OG-OH 2.88Å; S647-E678 VanDerWaalsContact CA-OE1 3.25Å; S647-E678 WeakPolarHBondContact CA-OE1 3.31Å; S647-E678 VanDerWaalsContact CB-OE1 3.31Å; S647-E678 WeakPolarHBondContact CB-OE1 3.44Å
648	I	64.4	Low	81.5	Confident	80.6667 Å²	80.6667	42.5 Å²	42.5	41%	0.414	21%	0.206	S	C	.	.	S	Bend	trans	-79.2	-29.7	174.7	-59.3	169.9	0	0	0	110.5	E678 Y682 I689 T704 V707	I648-E678 PolarHBondContact N-OE1 3Å; I648-Y682 HydrophobicContact CD1-CE2 4.33Å; I648-I689 HydrophobicContact CD1-CG2 4.09Å; I648-I689 HydrophobicContact CG2-CD1 3.9Å; I648-I689 HydrophobicContact CG2-CG2 4.44Å; I648-T704 HydrophobicContact CD1-CG2 4.13Å; I648-V707 HydrophobicContact CD1-CG2 3.51Å; I648-V707 VanDerWaalsContact CD1-CG2 3.46Å; I648-V707 HydrophobicContact CG1-CG2 4.2Å
649	L	68.6	Low	80.8	Confident	50 Å²	50	43.2 Å²	43.2	26%	0.262	21%	0.209	S	C	.	.	S	Bend	trans	-105.5	150.2	179.6	-66.4	172.9	0	0	0	110	Y643 S647 N651 Y675 E678 Y682 L685 I689	Y643-L649 WeakPolarHBondContact CD1-O 3.33Å; Y643-L649 VanDerWaalsContact CE1-C 3.5Å; S647-L649 WeakPolarHBondContact CB-O 3.2Å; S647-L649 PolarHBondContact OG-N 3.14Å; S647-L649 PolarHBondContact OG-O 3.18Å; L649-N651 PolarHBondContact O-N 2.95Å; L649-Y675 WeakPolarHBondContact CA-OH 3.35Å; L649-Y675 HydrophobicContact CB-CD1 4.43Å; L649-Y675 HydrophobicContact CB-CE1 4.02Å; L649-Y675 WeakPolarHBondContact CB-OH 3.49Å; L649-Y675 WeakPolarHBondContact O-CE1 3.45Å; L649-Y675 PolarHBondContact O-OH 2.94Å; L649-E678 PolarHBondContact N-OE1 3.04Å; L649-Y682 HydrophobicContact CD1-CD2 4.23Å; L649-L685 HydrophobicContact CD1-CB 3.93Å; L649-L685 HydrophobicContact CD1-CD1 3.69Å; L649-L685 HydrophobicContact CD1-CG 4.44Å; L649-L685 HydrophobicContact CD2-CD1 4.06Å; L649-I689 HydrophobicContact CD2-CD1 4.45Å
650	P	77.4	Confident	79.9	Confident	27.6667 Å²	27.6667	42.8 Å²	42.8	18%	0.18	21%	0.205	C	C	.	.			trans	-73.8	118.5	176.5	28.1	-32.3	0	0	0	110.9	I642 Y643 T652 Y675	I642-P650 CarbonylContact O-C 3.55Å; I642-P650 VanDerWaalsContact O-C 3.26Å; I642-P650 VanDerWaalsContact O-CA 3.29Å; I642-P650 WeakPolarHBondContact O-CA 3.31Å; I642-P650 WeakPolarHBondContact O-CB 3.42Å; Y643-P650 HydrophobicContact CD1-CB 4.23Å; Y643-P650 HydrophobicContact CD2-CB 4.28Å; Y643-P650 HydrophobicContact CE1-CB 3.95Å; Y643-P650 HydrophobicContact CE1-CG 4.34Å; Y643-P650 HydrophobicContact CE2-CB 4.03Å; Y643-P650 HydrophobicContact CG-CB 4.38Å; P650-T652 PolarHBondContact O-N 3Å; P650-T652 VanDerWaalsContact O-N 3.11Å; P650-Y675 VanDerWaalsContact C-CD1 3.49Å; P650-Y675 VanDerWaalsContact C-CE1 3.41Å; P650-Y675 WeakPolarHBondContact O-CD1 3.35Å; P650-Y675 VanDerWaalsContact O-CE1 3.27Å; P650-Y675 WeakPolarHBondContact O-CE1 3.22Å
651	N	80	Confident	78.4	Confident	13 Å²	13	44.4 Å²	44.4	7%	0.07	21%	0.213	C	C	.	.	S	Bend	trans	-54.2	-33.6	175.7	-69.3	72.1	0	0	0	113	I642 E644 S647 L649 Q674 Y675 K716	I642-N651 PolarHBondContact O-N 3.02Å; E644-N651 WeakPolarHBondContact CB-OD1 3.41Å; E644-N651 PolarHBondContact N-OD1 3.03Å; E644-N651 VanDerWaalsContact N-OD1 3.08Å; S647-N651 WeakPolarHBondContact CB-OD1 3.18Å; S647-N651 PolarHBondContact OG-OD1 3.36Å; L649-N651 PolarHBondContact O-N 2.95Å; N651-Q674 CarbonylContact O-C 3.5Å; N651-Q674 VanDerWaalsContact O-CA 3.26Å; N651-Q674 WeakPolarHBondContact O-CA 3.35Å; N651-Y675 HydrophobicContact CB-CE1 4.06Å; N651-Y675 PolarHBondContact N-OH 2.84Å; N651-Y675 PolarHBondContact ND2-OH 2.79Å; N651-Y675 PolarHBondContact O-N 2.88Å; N651-Y675 VanDerWaalsContact O-N 3.08Å; N651-Y675 PolarHBondContact OD1-OH 2.64Å; N651-K716 PolarHBondContact ND2-NZ 3.11Å
652	T	84.1	Confident	77	Confident	0.333333 Å²	0.333333	49.5 Å²	49.5	0%	0.002	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.3	174.9	-28.3	0	0	0	0	111.3	E539 I642 P650 K654 V672 Y673 Q674	E539-T652 HydrophobicContact CG-CG2 3.97Å; E539-T652 WeakPolarHBondContact OE1-CG2 3.03Å; E539-T652 PolarHBondContact OE1-OG1 2.84Å; I642-T652 VanDerWaalsContact CB-OG1 3.27Å; I642-T652 WeakPolarHBondContact CB-OG1 3.33Å; I642-T652 HydrophobicContact CD1-CG2 4.3Å; I642-T652 VanDerWaalsContact CD1-OG1 3.24Å; I642-T652 WeakPolarHBondContact CD1-OG1 3.27Å; I642-T652 VanDerWaalsContact CG1-OG1 3.24Å; I642-T652 WeakPolarHBondContact CG1-OG1 3.26Å; I642-T652 PolarHBondContact N-O 3.03Å; I642-T652 PolarHBondContact O-N 3.08Å; P650-T652 PolarHBondContact O-N 3Å; P650-T652 VanDerWaalsContact O-N 3.11Å; T652-K654 HydrophobicContact CG2-CD 4.25Å; T652-K654 HydrophobicContact CG2-CG 3.74Å; T652-V672 HydrophobicContact CG2-CG1 4.31Å; T652-Y673 CarbonylContact C-O 3.49Å; T652-Y673 VanDerWaalsContact CA-O 3.3Å; T652-Y673 WeakPolarHBondContact CA-O 3.36Å; T652-Q674 HydrophobicContact CG2-CG 3.94Å
653	L	86.1	Confident	75.6	Confident	64.3333 Å²	64.3333	58.1 Å²	58.1	34%	0.337	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.4	170.5	-175.8	72.9	0	0	0	108.1	L639 T640 T641 V672 Y673	L639-L653 HydrophobicContact CD1-CD1 3.89Å; L639-L653 HydrophobicContact CD1-CG 4.44Å; T640-L653 WeakPolarHBondContact O-CA 3.45Å; T641-L653 HydrophobicContact CG2-CD1 3.68Å; L653-V672 WeakPolarHBondContact O-CA 3.43Å; L653-Y673 HydrophobicContact CB-CD1 4.41Å; L653-Y673 PolarHBondContact N-O 3.04Å; L653-Y673 PolarHBondContact O-N 2.79Å
654	K	88.8	Confident	74.6	Confident	46.6667 Å²	46.6667	63.9 Å²	63.9	20%	0.203	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.9	173.7	-46.1	-172.5	176.2	178.6	0	109.6	L639 T640 T652 V671 V672	L639-K654 CarbonylContact C-O 3.53Å; L639-K654 WeakPolarHBondContact CA-O 3.16Å; T640-K654 PolarHBondContact N-O 2.79Å; T640-K654 PolarHBondContact O-N 3.09Å; T652-K654 HydrophobicContact CG2-CD 4.25Å; T652-K654 HydrophobicContact CG2-CG 3.74Å; K654-V671 CarbonylContact C-O 3.57Å; K654-V671 VanDerWaalsContact CA-O 3.32Å; K654-V671 WeakPolarHBondContact CA-O 3.28Å; K654-V672 HydrophobicContact CB-CG2 4.23Å; K654-V672 HydrophobicContact CD-CG1 4.39Å; K654-V672 HydrophobicContact CD-CG2 4.14Å; K654-V672 HydrophobicContact CG-CB 4.47Å; K654-V672 HydrophobicContact CG-CG1 4.1Å; K654-V672 HydrophobicContact CG-CG2 3.99Å
655	M	88.6	Confident	74.3	Confident	74.6667 Å²	74.6667	64.6 Å²	64.6	37%	0.368	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.3	174.5	-173.9	178.7	67.8	0	0	109.5	E638 L639 F669 N670 V671	E638-M655 CarbonylContact O-C 3.5Å; E638-M655 VanDerWaalsContact O-CA 3.29Å; E638-M655 WeakPolarHBondContact O-CA 3.39Å; L639-M655 HydrophobicContact CD1-CB 4.37Å; L639-M655 HydrophobicContact CD1-CG 4.41Å; M655-F669 HydrophobicContact CE-CD1 3.75Å; M655-F669 HydrophobicContact CE-CD2 4.44Å; M655-F669 HydrophobicContact CE-CE1 3.39Å; M655-F669 HydrophobicContact CE-CE2 3.4Å; M655-F669 HydrophobicContact CE-CZ 3.7Å; M655-F669 HydrophobicContact CG-CE2 3.94Å; M655-F669 HydrophobicContact CG-CZ 4.46Å; M655-F669 HydrophobicContact SD-CE2 4.18Å; M655-F669 HydrophobicContact SD-CZ 4.31Å; M655-N670 CarbonylContact O-C 3.56Å; M655-N670 VanDerWaalsContact O-CA 3.3Å; M655-N670 WeakPolarHBondContact O-CA 3.15Å; M655-N670 PolarHBondContact O-OD1 3.05Å; M655-V671 HydrophobicContact CE-CG2 4.48Å; M655-V671 PolarHBondContact N-O 2.82Å; M655-V671 PolarHBondContact O-N 2.8Å
656	R	88.3	Confident	74.3	Confident	80.3333 Å²	80.3333	63.9 Å²	63.9	30%	0.303	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.6	179.2	-171.3	175.5	173	165	-6.1	110.4	I637 E638 K658 N667 F669 N670	I637-R656 CarbonylContact C-O 3.52Å; I637-R656 WeakPolarHBondContact CA-O 3.37Å; E638-R656 HydrophobicContact CB-CB 4.2Å; E638-R656 PolarHBondContact N-O 2.94Å; E638-R656 PolarHBondContact O-N 3.36Å; E638-R656 IonicContact OE1-CZ 2.78Å; E638-R656 IonicContact OE1-NE 3.5Å; E638-R656 IonicContact OE1-NH2 3.53Å; E638-R656 PolarHBondContact OE1-NH2 3.09Å; E638-R656 WeakPolarHBondContact OE2-CD 3.44Å; E638-R656 IonicContact OE2-CZ 3.52Å; E638-R656 IonicContact OE2-NE 3.68Å; E638-R656 PolarHBondContact OE2-NE 3.17Å; E638-R656 IonicContact OE2-NH1 2.65Å; E638-R656 PolarHBondContact OE2-NH1 2.78Å; E638-R656 IonicContact OE2-NH2 3.4Å; E638-R656 PolarHBondContact OE2-NH2 3.27Å; R656-K658 HydrophobicContact CG-CG 4.35Å; R656-K658 VanDerWaalsContact CZ-CE 3.46Å; R656-K658 VanDerWaalsContact NE-CE 3.26Å; R656-N667 VanDerWaalsContact CZ-OD1 3.25Å; R656-N667 PolarHBondContact NE-OD1 2.81Å; R656-N667 VanDerWaalsContact NH2-CG 3.28Å; R656-N667 PolarHBondContact NH2-ND2 2.83Å; R656-N667 PolarHBondContact NH2-OD1 3.45Å; R656-F669 CarbonylContact C-O 3.52Å; R656-F669 WeakPolarHBondContact CA-O 3.3Å; R656-N670 HydrophobicContact CG-CB 4.36Å
657	L	85.6	Confident	74.6	Confident	33.3333 Å²	33.3333	56.8 Å²	56.8	18%	0.175	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.3	171.3	-179.1	71.4	0	0	0	108.7	F635 F636 I637 N667 V668 F669	F635-L657 HydrophobicContact CB-CD1 4.24Å; F635-L657 HydrophobicContact CD1-CD1 4.06Å; F635-L657 HydrophobicContact CD1-CD2 4.24Å; F635-L657 HydrophobicContact CD1-CG 4.39Å; F635-L657 HydrophobicContact CG-CD1 4.49Å; F636-L657 CarbonylContact O-C 3.51Å; F636-L657 VanDerWaalsContact O-CA 3.32Å; F636-L657 WeakPolarHBondContact O-CA 3.23Å; I637-L657 HydrophobicContact CD1-CD1 4.39Å; I637-L657 HydrophobicContact CG1-CD1 3.6Å; L657-N667 CarbonylContact O-C 3.58Å; L657-V668 HydrophobicContact CB-CB 4.43Å; L657-V668 HydrophobicContact CD2-CB 3.92Å; L657-V668 HydrophobicContact CD2-CG1 3.88Å; L657-V668 HydrophobicContact CD2-CG2 4.29Å; L657-V668 HydrophobicContact CG-CB 4.09Å; L657-V668 HydrophobicContact CG-CG1 4.5Å; L657-V668 HydrophobicContact CG-CG2 4.39Å; L657-V668 PolarHBondContact O-N 3.15Å; L657-F669 HydrophobicContact CB-CB 4.02Å; L657-F669 HydrophobicContact CB-CD1 3.53Å; L657-F669 HydrophobicContact CB-CD2 4.12Å; L657-F669 HydrophobicContact CB-CE1 3.28Å; L657-F669 HydrophobicContact CB-CE2 3.86Å; L657-F669 HydrophobicContact CB-CG 3.95Å; L657-F669 HydrophobicContact CB-CZ 3.44Å; L657-F669 VanDerWaalsContact CB-CZ 3.44Å; L657-F669 HydrophobicContact CD2-CB 4.4Å; L657-F669 HydrophobicContact CD2-CD1 3.58Å; L657-F669 HydrophobicContact CD2-CE1 3.28Å; L657-F669 HydrophobicContact CD2-CZ 4.21Å; L657-F669 HydrophobicContact CG-CD1 4.16Å; L657-F669 HydrophobicContact CG-CE1 3.84Å; L657-F669 HydrophobicContact CG-CZ 4.35Å; L657-F669 PolarHBondContact N-O 3.13Å; L657-F669 PolarHBondContact O-N 3.09Å; L657-F669 VanDerWaalsContact O-N 3.13Å
658	K	85.1	Confident	74.9	Confident	7.66667 Å²	7.66667	56.8 Å²	56.8	3%	0.033	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.4	170.8	-53.4	174.6	173.8	167.1	0	110.3	D588 F635 F636 E638 R656 L665 S666 N667	D588-K658 IonicContact OD2-NZ 3.89Å; D588-K658 PolarHBondContact OD2-NZ 3.13Å; F635-K658 CarbonylContact C-O 3.52Å; F635-K658 VanDerWaalsContact CA-O 3.24Å; F635-K658 WeakPolarHBondContact CA-O 3.39Å; F636-K658 HydrophobicContact CB-CB 4.15Å; F636-K658 HydrophobicContact CD2-CB 4.28Å; F636-K658 PolarHBondContact N-O 2.85Å; F636-K658 PolarHBondContact O-N 2.9Å; E638-K658 WeakPolarHBondContact OE1-CE 3.44Å; E638-K658 IonicContact OE1-NZ 3.15Å; E638-K658 PolarHBondContact OE1-NZ 3.06Å; E638-K658 IonicContact OE2-NZ 3.9Å; R656-K658 HydrophobicContact CG-CG 4.35Å; R656-K658 VanDerWaalsContact CZ-CE 3.46Å; R656-K658 VanDerWaalsContact NE-CE 3.26Å; K658-L665 HydrophobicContact CB-CD1 3.93Å; K658-L665 HydrophobicContact CB-CG 4.23Å; K658-L665 HydrophobicContact CD-CD1 4.25Å; K658-L665 HydrophobicContact CD-CD2 3.84Å; K658-L665 HydrophobicContact CD-CG 4.2Å; K658-L665 HydrophobicContact CG-CD2 4.39Å; K658-L665 HydrophobicContact CG-CG 4.41Å; K658-S666 CarbonylContact C-O 3.53Å; K658-S666 VanDerWaalsContact CA-O 3.29Å; K658-S666 WeakPolarHBondContact CA-O 3.3Å; K658-N667 WeakPolarHBondContact CG-OD1 3.44Å
659	Y	77	Confident	75.4	Confident	27.3333 Å²	27.3333	55.4 Å²	55.4	11%	0.107	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.3	173	173.1	-111.2	0	0	0	108.9	Y632 I634 F635 N661 S666 V668	Y632-Y659 PolarHBondContact O-OH 3.06Å; I634-Y659 CarbonylContact O-C 3.37Å; I634-Y659 WeakPolarHBondContact O-CA 3.34Å; F635-Y659 AromaticContact CD1-CD2 3.92Å; F635-Y659 HydrophobicContact CD1-CD2 3.92Å; F635-Y659 HydrophobicContact CD1-CG 4.47Å; F635-Y659 HydrophobicContact CD2-CD2 4.3Å; F635-Y659 AromaticContact CE1-CD2 3.49Å; F635-Y659 HydrophobicContact CE1-CD2 3.49Å; F635-Y659 VanDerWaalsContact CE1-CD2 3.47Å; F635-Y659 HydrophobicContact CE1-CE2 4.31Å; F635-Y659 HydrophobicContact CE1-CG 4.04Å; F635-Y659 AromaticContact CE2-CD2 3.89Å; F635-Y659 HydrophobicContact CE2-CD2 3.89Å; F635-Y659 HydrophobicContact CE2-CE2 4.06Å; F635-Y659 HydrophobicContact CG-CD2 4.31Å; F635-Y659 AromaticContact CZ-CD2 3.47Å; F635-Y659 HydrophobicContact CZ-CD2 3.47Å; F635-Y659 VanDerWaalsContact CZ-CD2 3.45Å; F635-Y659 AromaticContact CZ-CE2 3.83Å; F635-Y659 HydrophobicContact CZ-CE2 3.83Å; F635-Y659 HydrophobicContact CZ-CG 4.36Å; Y659-N661 HydrophobicContact CD1-CB 4.38Å; Y659-N661 HydrophobicContact CE1-CB 3.66Å; Y659-S666 PolarHBondContact N-O 2.86Å; Y659-S666 PolarHBondContact O-N 3.06Å; Y659-S666 PolarHBondContact O-OG 3.01Å; Y659-S666 VanDerWaalsContact O-OG 3.08Å; Y659-V668 VanDerWaalsContact CB-CG2 3.45Å; Y659-V668 HydrophobicContact CG-CG2 4.44Å
660	Q	70.4	Confident	75.9	Confident	39 Å²	39	54.4 Å²	54.4	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.8	174.2	-176.2	-179.4	-1.2	0	0	109.6	G633 I634 F636 K662 K664 L665	G633-Q660 CarbonylContact C-O 3.49Å; G633-Q660 WeakPolarHBondContact CA-O 3.29Å; I634-Q660 HydrophobicContact CB-CB 4.41Å; I634-Q660 PolarHBondContact N-O 3.2Å; I634-Q660 PolarHBondContact O-N 3.04Å; I634-Q660 VanDerWaalsContact O-N 3.08Å; F636-Q660 HydrophobicContact CE2-CB 3.84Å; Q660-K662 WeakPolarHBondContact CG-O 3.48Å; Q660-K662 PolarHBondContact NE2-O 3Å; Q660-K664 WeakPolarHBondContact CA-O 3.31Å; Q660-L665 HydrophobicContact CB-CD1 3.88Å; Q660-L665 HydrophobicContact CG-CD1 4.43Å
661	N	60.3	Low	76.1	Confident	46 Å²	46	54.4 Å²	54.4	25%	0.246	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.1	167	-169.7	7.5	0	0	0	109.3	Y659 E663 K664	Y659-N661 HydrophobicContact CD1-CB 4.38Å; Y659-N661 HydrophobicContact CE1-CB 3.66Å; N661-E663 PolarHBondContact O-N 3.08Å; N661-K664 PolarHBondContact N-O 3.01Å; N661-K664 PolarHBondContact O-N 3.15Å; N661-K664 VanDerWaalsContact O-N 3.09Å; N661-K664 VanDerWaalsContact O-O 3.1Å
662	K	59.1	Low	76.2	Confident	129 Å²	129	54.7 Å²	54.7	56%	0.561	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	-121.6	-168.4	-56.1	-173.2	178.6	-163.7	0	110.8	N214 Q660	N214-K662 HydrophobicContact CB-CD 4.39Å; N214-K662 WeakPolarHBondContact O-CD 3.49Å; N214-K662 WeakPolarHBondContact O-CE 3.45Å; N214-K662 PolarHBondContact O-NZ 3.09Å; Q660-K662 WeakPolarHBondContact CG-O 3.48Å; Q660-K662 PolarHBondContact NE2-O 3Å
663	E	57.4	Low	76.1	Confident	182.333 Å²	182.333	57.2 Å²	57.2	85%	0.852	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-6.4	179.6	-64.7	173.2	-174.9	0	0	112.9	N214 N661 L665	N214-E663 PolarHBondContact ND2-OE1 3.43Å; N661-E663 PolarHBondContact O-N 3.08Å; E663-L665 PolarHBondContact O-N 2.83Å
664	K	62.9	Low	75.7	Confident	161.667 Å²	161.667	54.8 Å²	54.8	70%	0.703	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.4	-177.1	-163.9	169.6	-175.9	170.7	0	111.1	Q660 N661	Q660-K664 WeakPolarHBondContact CA-O 3.31Å; N661-K664 PolarHBondContact N-O 3.01Å; N661-K664 PolarHBondContact O-N 3.15Å; N661-K664 VanDerWaalsContact O-N 3.09Å; N661-K664 VanDerWaalsContact O-O 3.1Å
665	L	71.8	Confident	74.9	Confident	49 Å²	49	53.3 Å²	53.3	26%	0.257	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.8	165.6	-170.6	75.3	0	0	0	108.8	D588 F636 K658 Q660 E663	D588-L665 WeakPolarHBondContact OD1-CD2 3.17Å; F636-L665 HydrophobicContact CD2-CD1 4.03Å; F636-L665 HydrophobicContact CE2-CD1 4.07Å; K658-L665 HydrophobicContact CB-CD1 3.93Å; K658-L665 HydrophobicContact CB-CG 4.23Å; K658-L665 HydrophobicContact CD-CD1 4.25Å; K658-L665 HydrophobicContact CD-CD2 3.84Å; K658-L665 HydrophobicContact CD-CG 4.2Å; K658-L665 HydrophobicContact CG-CD2 4.39Å; K658-L665 HydrophobicContact CG-CG 4.41Å; Q660-L665 HydrophobicContact CB-CD1 3.88Å; Q660-L665 HydrophobicContact CG-CD1 4.43Å; E663-L665 PolarHBondContact O-N 2.83Å
666	S	70.5	Confident	73.9	Confident	30 Å²	30	49.8 Å²	49.8	21%	0.21	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.8	175.9	59.1	0	0	0	0	110.5	K658 Y659 V668	K658-S666 CarbonylContact C-O 3.53Å; K658-S666 VanDerWaalsContact CA-O 3.29Å; K658-S666 WeakPolarHBondContact CA-O 3.3Å; Y659-S666 PolarHBondContact N-O 2.86Å; Y659-S666 PolarHBondContact O-N 3.06Å; Y659-S666 PolarHBondContact O-OG 3.01Å; Y659-S666 VanDerWaalsContact O-OG 3.08Å; S666-V668 PolarHBondContact O-N 3.31Å
667	N	74.4	Confident	72.7	Confident	33 Å²	33	46.8 Å²	46.8	18%	0.176	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	116.2	171	-61	-45.9	0	0	0	108.1	R656 L657 K658 F725 D726	R656-N667 VanDerWaalsContact CZ-OD1 3.25Å; R656-N667 PolarHBondContact NE-OD1 2.81Å; R656-N667 VanDerWaalsContact NH2-CG 3.28Å; R656-N667 PolarHBondContact NH2-ND2 2.83Å; R656-N667 PolarHBondContact NH2-OD1 3.45Å; L657-N667 CarbonylContact O-C 3.58Å; K658-N667 WeakPolarHBondContact CG-OD1 3.44Å; N667-F725 CarbonylContact O-C 3.56Å; N667-F725 VanDerWaalsContact O-CA 3.24Å; N667-F725 WeakPolarHBondContact O-CA 3.45Å; N667-F725 WeakPolarHBondContact O-CD1 3.41Å; N667-F725 PolarHBondContact O-N 2.71Å; N667-D726 VanDerWaalsContact CB-OD1 3.28Å; N667-D726 WeakPolarHBondContact CB-OD1 3.21Å; N667-D726 PolarHBondContact N-OD2 2.86Å; N667-D726 PolarHBondContact ND2-OD1 3.11Å; N667-D726 PolarHBondContact O-N 3.12Å
668	V	72.7	Confident	71.6	Confident	16.3333 Å²	16.3333	48.7 Å²	48.7	10%	0.099	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-51.3	178	178.8	0	0	0	0	109.8	L657 Y659 S666 W724 F725	L657-V668 HydrophobicContact CB-CB 4.43Å; L657-V668 HydrophobicContact CD2-CB 3.92Å; L657-V668 HydrophobicContact CD2-CG1 3.88Å; L657-V668 HydrophobicContact CD2-CG2 4.29Å; L657-V668 HydrophobicContact CG-CB 4.09Å; L657-V668 HydrophobicContact CG-CG1 4.5Å; L657-V668 HydrophobicContact CG-CG2 4.39Å; L657-V668 PolarHBondContact O-N 3.15Å; Y659-V668 VanDerWaalsContact CB-CG2 3.45Å; Y659-V668 HydrophobicContact CG-CG2 4.44Å; S666-V668 PolarHBondContact O-N 3.31Å; V668-W724 CarbonylContact O-C 3.56Å; V668-W724 VanDerWaalsContact O-CA 3.31Å; V668-W724 WeakPolarHBondContact O-CA 3.39Å; V668-F725 HydrophobicContact CB-CE1 4.29Å; V668-F725 HydrophobicContact CB-CZ 4.39Å; V668-F725 HydrophobicContact CG1-CE1 4.15Å; V668-F725 HydrophobicContact CG1-CE2 4.29Å; V668-F725 HydrophobicContact CG1-CZ 3.89Å; V668-F725 HydrophobicContact CG2-CE1 4.08Å; V668-F725 HydrophobicContact CG2-CZ 4.36Å; V668-F725 PolarHBondContact O-N 2.96Å
669	F	74.5	Confident	70.5	Confident	52.6667 Å²	52.6667	48.9 Å²	48.9	23%	0.231	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	141.9	-177.8	156.8	-108	0	0	0	110.2	M655 R656 L657 V671 I722 K723 W724	M655-F669 HydrophobicContact CE-CD1 3.75Å; M655-F669 HydrophobicContact CE-CD2 4.44Å; M655-F669 HydrophobicContact CE-CE1 3.39Å; M655-F669 HydrophobicContact CE-CE2 3.4Å; M655-F669 HydrophobicContact CE-CZ 3.7Å; M655-F669 HydrophobicContact CG-CE2 3.94Å; M655-F669 HydrophobicContact CG-CZ 4.46Å; M655-F669 HydrophobicContact SD-CE2 4.18Å; M655-F669 HydrophobicContact SD-CZ 4.31Å; R656-F669 CarbonylContact C-O 3.52Å; R656-F669 WeakPolarHBondContact CA-O 3.3Å; L657-F669 HydrophobicContact CB-CB 4.02Å; L657-F669 HydrophobicContact CB-CD1 3.53Å; L657-F669 HydrophobicContact CB-CD2 4.12Å; L657-F669 HydrophobicContact CB-CE1 3.28Å; L657-F669 HydrophobicContact CB-CE2 3.86Å; L657-F669 HydrophobicContact CB-CG 3.95Å; L657-F669 HydrophobicContact CB-CZ 3.44Å; L657-F669 VanDerWaalsContact CB-CZ 3.44Å; L657-F669 HydrophobicContact CD2-CB 4.4Å; L657-F669 HydrophobicContact CD2-CD1 3.58Å; L657-F669 HydrophobicContact CD2-CE1 3.28Å; L657-F669 HydrophobicContact CD2-CZ 4.21Å; L657-F669 HydrophobicContact CG-CD1 4.16Å; L657-F669 HydrophobicContact CG-CE1 3.84Å; L657-F669 HydrophobicContact CG-CZ 4.35Å; L657-F669 PolarHBondContact N-O 3.13Å; L657-F669 PolarHBondContact O-N 3.09Å; L657-F669 VanDerWaalsContact O-N 3.13Å; F669-V671 HydrophobicContact CD1-CG2 3.96Å; F669-V671 HydrophobicContact CD2-CG2 4.02Å; F669-V671 HydrophobicContact CE1-CB 4.15Å; F669-V671 HydrophobicContact CE1-CG2 3.12Å; F669-V671 HydrophobicContact CE2-CG2 4.14Å; F669-V671 HydrophobicContact CZ-CB 4.32Å; F669-V671 HydrophobicContact CZ-CG2 3.14Å; F669-I722 HydrophobicContact CD2-CG2 4.34Å; F669-I722 HydrophobicContact CE2-CG2 3.71Å; F669-I722 HydrophobicContact CZ-CG2 4.19Å; F669-K723 CarbonylContact C-O 3.54Å; F669-K723 WeakPolarHBondContact CA-O 3.28Å; F669-W724 AromaticContact CD2-CD1 3.78Å; F669-W724 HydrophobicContact CD2-CD2 4.28Å; F669-W724 AromaticContact CD2-CE2 3.73Å; F669-W724 HydrophobicContact CD2-CG 4.27Å; F669-W724 HydrophobicContact CD2-CZ2 4.24Å; F669-W724 AromaticContact CD2-NE1 3.39Å; F669-W724 AromaticContact CE2-CD1 3.93Å; F669-W724 AromaticContact CE2-CE2 3.76Å; F669-W724 HydrophobicContact CE2-CZ2 4.1Å; F669-W724 AromaticContact CE2-NE1 3.23Å
670	N	79.9	Confident	69.7	Low	28.6667 Å²	28.6667	50.2 Å²	50.2	15%	0.153	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	116.8	173.5	-178.9	22.4	0	0	0	108.7	M655 R656 I722 K723	M655-N670 CarbonylContact O-C 3.56Å; M655-N670 VanDerWaalsContact O-CA 3.3Å; M655-N670 WeakPolarHBondContact O-CA 3.15Å; M655-N670 PolarHBondContact O-OD1 3.05Å; R656-N670 HydrophobicContact CG-CB 4.36Å; N670-I722 CarbonylContact O-C 3.4Å; N670-I722 WeakPolarHBondContact O-CA 3.41Å; N670-K723 HydrophobicContact CB-CB 4.08Å; N670-K723 PolarHBondContact N-O 2.97Å; N670-K723 PolarHBondContact O-N 2.83Å
671	V	80.9	Confident	69.2	Low	27.6667 Å²	27.6667	53 Å²	53	17%	0.168	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125	177.6	176.4	0	0	0	0	108.3	K654 M655 F669 F721 I722	K654-V671 CarbonylContact C-O 3.57Å; K654-V671 VanDerWaalsContact CA-O 3.32Å; K654-V671 WeakPolarHBondContact CA-O 3.28Å; M655-V671 HydrophobicContact CE-CG2 4.48Å; M655-V671 PolarHBondContact N-O 2.82Å; M655-V671 PolarHBondContact O-N 2.8Å; F669-V671 HydrophobicContact CD1-CG2 3.96Å; F669-V671 HydrophobicContact CD2-CG2 4.02Å; F669-V671 HydrophobicContact CE1-CB 4.15Å; F669-V671 HydrophobicContact CE1-CG2 3.12Å; F669-V671 HydrophobicContact CE2-CG2 4.14Å; F669-V671 HydrophobicContact CZ-CB 4.32Å; F669-V671 HydrophobicContact CZ-CG2 3.14Å; V671-F721 CarbonylContact C-O 3.58Å; V671-F721 VanDerWaalsContact CA-O 3.31Å; V671-F721 WeakPolarHBondContact CA-O 3.23Å; V671-I722 HydrophobicContact CG1-CG1 4.4Å; V671-I722 HydrophobicContact CG2-CB 4.24Å; V671-I722 HydrophobicContact CG2-CG1 4.21Å; V671-I722 HydrophobicContact CG2-CG2 4.12Å
672	V	81.9	Confident	69.4	Low	17.6667 Å²	17.6667	53 Å²	53	11%	0.107	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.8	171.6	176.4	0	0	0	0	107	T652 L653 K654 Q674 I720 F721	T652-V672 HydrophobicContact CG2-CG1 4.31Å; L653-V672 WeakPolarHBondContact O-CA 3.43Å; K654-V672 HydrophobicContact CB-CG2 4.23Å; K654-V672 HydrophobicContact CD-CG1 4.39Å; K654-V672 HydrophobicContact CD-CG2 4.14Å; K654-V672 HydrophobicContact CG-CB 4.47Å; K654-V672 HydrophobicContact CG-CG1 4.1Å; K654-V672 HydrophobicContact CG-CG2 3.99Å; V672-Q674 HydrophobicContact CG1-CG 4.06Å; V672-I720 CarbonylContact O-C 3.49Å; V672-I720 WeakPolarHBondContact O-CA 3.34Å; V672-F721 HydrophobicContact CB-CB 4.31Å; V672-F721 PolarHBondContact N-O 2.84Å; V672-F721 PolarHBondContact O-N 3.17Å
673	Y	82.7	Confident	69.6	Low	53 Å²	53	52.2 Å²	52.2	21%	0.208	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.9	170.7	175.3	-109.8	0	0	0	108.1	T652 L653 Y675 F681 D718 S719 I720 I735	T652-Y673 CarbonylContact C-O 3.49Å; T652-Y673 VanDerWaalsContact CA-O 3.3Å; T652-Y673 WeakPolarHBondContact CA-O 3.36Å; L653-Y673 HydrophobicContact CB-CD1 4.41Å; L653-Y673 PolarHBondContact N-O 3.04Å; L653-Y673 PolarHBondContact O-N 2.79Å; Y673-Y675 HydrophobicContact CD1-CD1 4.47Å; Y673-Y675 AromaticContact CE1-CD1 3.7Å; Y673-Y675 HydrophobicContact CE1-CD1 3.7Å; Y673-Y675 HydrophobicContact CE1-CD2 4.27Å; Y673-Y675 HydrophobicContact CE1-CG 4.44Å; Y673-Y675 AromaticContact CZ-CD2 3.82Å; Y673-Y675 WeakPolarHBondContact OH-CD2 3.29Å; Y673-F681 VanDerWaalsContact OH-CD1 3.3Å; Y673-F681 WeakPolarHBondContact OH-CD1 2.96Å; Y673-D718 HydrophobicContact CE2-CB 4.27Å; Y673-S719 WeakPolarHBondContact CA-O 3.3Å; Y673-I720 HydrophobicContact CD2-CB 4.23Å; Y673-I720 HydrophobicContact CD2-CD1 4.42Å; Y673-I720 HydrophobicContact CD2-CG1 4.39Å; Y673-I735 HydrophobicContact CE2-CG2 4.22Å
674	Q	77.2	Confident	69.9	Low	15.3333 Å²	15.3333	47.1 Å²	47.1	7%	0.072	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127	174.9	-66.7	172.7	-33.2	0	0	107.3	E539 N651 T652 V672 R715 D718 S719	E539-Q674 PolarHBondContact OE1-NE2 3.49Å; E539-Q674 VanDerWaalsContact OE1-NE2 3.1Å; N651-Q674 CarbonylContact O-C 3.5Å; N651-Q674 VanDerWaalsContact O-CA 3.26Å; N651-Q674 WeakPolarHBondContact O-CA 3.35Å; T652-Q674 HydrophobicContact CG2-CG 3.94Å; V672-Q674 HydrophobicContact CG1-CG 4.06Å; Q674-R715 VanDerWaalsContact CD-NH1 3.29Å; Q674-R715 VanDerWaalsContact NE2-NH2 3.19Å; Q674-D718 CarbonylContact O-C 3.56Å; Q674-D718 VanDerWaalsContact O-CA 3.28Å; Q674-D718 WeakPolarHBondContact O-CA 3.41Å; Q674-D718 VanDerWaalsContact O-CB 3.31Å; Q674-D718 WeakPolarHBondContact O-CB 3.3Å; Q674-S719 PolarHBondContact N-O 2.83Å; Q674-S719 PolarHBondContact O-N 3.16Å; Q674-S719 PolarHBondContact OE1-OG 3Å; Q674-S719 VanDerWaalsContact OE1-OG 3.08Å
675	Y	72.5	Confident	69.8	Low	14.6667 Å²	14.6667	42.2 Å²	42.2	6%	0.058	20%	0.203	C	C	.	.			trans	-103.5	146	178.2	106.1	-109.1	0	0	0	111.2	S647 L649 P650 N651 Y673 S677 E678 Y682	S647-Y675 WeakPolarHBondContact CB-OH 3.39Å; S647-Y675 PolarHBondContact OG-OH 2.88Å; L649-Y675 WeakPolarHBondContact CA-OH 3.35Å; L649-Y675 HydrophobicContact CB-CD1 4.43Å; L649-Y675 HydrophobicContact CB-CE1 4.02Å; L649-Y675 WeakPolarHBondContact CB-OH 3.49Å; L649-Y675 WeakPolarHBondContact O-CE1 3.45Å; L649-Y675 PolarHBondContact O-OH 2.94Å; P650-Y675 VanDerWaalsContact C-CD1 3.49Å; P650-Y675 VanDerWaalsContact C-CE1 3.41Å; P650-Y675 WeakPolarHBondContact O-CD1 3.35Å; P650-Y675 VanDerWaalsContact O-CE1 3.27Å; P650-Y675 WeakPolarHBondContact O-CE1 3.22Å; N651-Y675 HydrophobicContact CB-CE1 4.06Å; N651-Y675 PolarHBondContact N-OH 2.84Å; N651-Y675 PolarHBondContact ND2-OH 2.79Å; N651-Y675 PolarHBondContact O-N 2.88Å; N651-Y675 VanDerWaalsContact O-N 3.08Å; N651-Y675 PolarHBondContact OD1-OH 2.64Å; Y673-Y675 HydrophobicContact CD1-CD1 4.47Å; Y673-Y675 AromaticContact CE1-CD1 3.7Å; Y673-Y675 HydrophobicContact CE1-CD1 3.7Å; Y673-Y675 HydrophobicContact CE1-CD2 4.27Å; Y673-Y675 HydrophobicContact CE1-CG 4.44Å; Y673-Y675 AromaticContact CZ-CD2 3.82Å; Y673-Y675 WeakPolarHBondContact OH-CD2 3.29Å; Y675-S677 VanDerWaalsContact CE1-C 3.49Å; Y675-S677 PolarHBondContact OH-O 2.85Å; Y675-S677 VanDerWaalsContact OH-O 3.04Å; Y675-E678 HydrophobicContact CD1-CG 4.19Å; Y675-E678 HydrophobicContact CE1-CB 4.14Å; Y675-E678 HydrophobicContact CE1-CG 3.48Å; Y675-E678 VanDerWaalsContact CE1-CG 3.48Å; Y675-Y682 AromaticContact CD2-CD2 3.84Å; Y675-Y682 HydrophobicContact CD2-CD2 4.12Å; Y675-Y682 HydrophobicContact CD2-CG 4.22Å; Y675-Y682 AromaticContact CE2-CD2 3.28Å; Y675-Y682 HydrophobicContact CE2-CD2 3.81Å; Y675-Y682 AromaticContact CE2-CE2 3.79Å; Y675-Y682 HydrophobicContact CE2-CE2 4.06Å; Y675-Y682 HydrophobicContact CE2-CG 4.07Å; Y675-Y682 AromaticContact CZ-CD2 3.95Å
676	G	66.9	Low	69.3	Low	1.66667 Å²	1.66667	40.4 Å²	40.4	2%	0.017	19%	0.193	C	C	.	.			trans	-103.1	-178.9	174.5	0	0	0	0	0	112.8	E678 T679 R715 K716 Y717 D718	G676-E678 PolarHBondContact O-N 3.27Å; G676-T679 WeakPolarHBondContact O-CB 3.46Å; G676-T679 VanDerWaalsContact O-CG2 3.23Å; G676-T679 WeakPolarHBondContact O-CG2 3.34Å; G676-T679 PolarHBondContact O-N 2.67Å; G676-T679 VanDerWaalsContact O-N 3.16Å; G676-T679 PolarHBondContact O-OG1 3.05Å; G676-R715 CarbonylContact C-O 3.53Å; G676-R715 VanDerWaalsContact CA-O 3.24Å; G676-R715 WeakPolarHBondContact CA-O 3.43Å; G676-K716 CarbonylContact C-O 3.23Å; G676-K716 WeakPolarHBondContact CA-O 3.45Å; G676-K716 WeakPolarHBondContact O-CB 3.39Å; G676-K716 WeakPolarHBondContact O-CD 3.03Å; G676-Y717 PolarHBondContact N-O 2.9Å; G676-D718 VanDerWaalsContact CA-CG 3.43Å; G676-D718 WeakPolarHBondContact CA-OD1 3.37Å; G676-D718 PolarHBondContact N-OD1 2.69Å; G676-D718 VanDerWaalsContact N-OD1 3.12Å; G676-D718 PolarHBondContact N-OD2 3.36Å
677	S	64.1	Low	68.9	Low	17.6667 Å²	17.6667	43.6 Å²	43.6	12%	0.124	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.7	-177.3	86.2	0	0	0	0	114.2	Y675 T679 Y682 T713 R715 K716	Y675-S677 VanDerWaalsContact CE1-C 3.49Å; Y675-S677 PolarHBondContact OH-O 2.85Å; Y675-S677 VanDerWaalsContact OH-O 3.04Å; S677-T679 VanDerWaalsContact C-N 3.33Å; S677-T679 PolarHBondContact O-N 2.88Å; S677-T679 WeakPolarHBondContact OG-CB 3.46Å; S677-T679 WeakPolarHBondContact OG-CG2 3.38Å; S677-T679 PolarHBondContact OG-N 2.94Å; S677-T679 PolarHBondContact OG-OG1 3.44Å; S677-Y682 WeakPolarHBondContact O-CD1 3.3Å; S677-T713 WeakPolarHBondContact CA-OG1 3.4Å; S677-T713 VanDerWaalsContact CB-CB 3.49Å; S677-T713 WeakPolarHBondContact CB-OG1 3.25Å; S677-T713 PolarHBondContact N-OG1 3.15Å; S677-T713 PolarHBondContact OG-OG1 2.77Å; S677-R715 PolarHBondContact N-O 2.77Å; S677-R715 PolarHBondContact OG-O 2.74Å; S677-K716 PolarHBondContact N-O 2.65Å
678	E	61.7	Low	68.1	Low	72 Å²	72	44.2 Å²	44.2	34%	0.336	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.5	174.1	-68.1	-170.6	170.1	0	0	112.5	S647 I648 L649 Y675 G676 F680 F681 Y682 K683 K716	S647-E678 VanDerWaalsContact CA-OE1 3.25Å; S647-E678 WeakPolarHBondContact CA-OE1 3.31Å; S647-E678 VanDerWaalsContact CB-OE1 3.31Å; S647-E678 WeakPolarHBondContact CB-OE1 3.44Å; I648-E678 PolarHBondContact N-OE1 3Å; L649-E678 PolarHBondContact N-OE1 3.04Å; Y675-E678 HydrophobicContact CD1-CG 4.19Å; Y675-E678 HydrophobicContact CE1-CB 4.14Å; Y675-E678 HydrophobicContact CE1-CG 3.48Å; Y675-E678 VanDerWaalsContact CE1-CG 3.48Å; G676-E678 PolarHBondContact O-N 3.27Å; E678-F680 VanDerWaalsContact C-N 3.26Å; E678-F680 PolarHBondContact O-N 2.84Å; E678-F680 VanDerWaalsContact O-N 3.1Å; E678-F681 PolarHBondContact O-N 2.84Å; E678-F681 VanDerWaalsContact O-N 3.11Å; E678-Y682 VanDerWaalsContact O-CB 3.26Å; E678-Y682 WeakPolarHBondContact O-CB 3.38Å; E678-Y682 PolarHBondContact O-N 3.2Å; E678-K683 VanDerWaalsContact O-CE 3.31Å; E678-K683 WeakPolarHBondContact O-CE 3.36Å; E678-K683 PolarHBondContact O-NZ 3.21Å; E678-K716 HydrophobicContact CB-CB 4.29Å; E678-K716 WeakPolarHBondContact CB-O 3.28Å; E678-K716 HydrophobicContact CG-CB 4.13Å; E678-K716 HydrophobicContact CG-CG 4.19Å; E678-K716 PolarHBondContact N-O 3.1Å; E678-K716 WeakPolarHBondContact OE1-CD 3.22Å; E678-K716 WeakPolarHBondContact OE1-CE 3.34Å; E678-K716 IonicContact OE1-NZ 2.61Å; E678-K716 PolarHBondContact OE1-NZ 2.68Å; E678-K716 WeakPolarHBondContact OE2-CD 3.24Å; E678-K716 VanDerWaalsContact OE2-CG 3.31Å; E678-K716 WeakPolarHBondContact OE2-CG 3.28Å; E678-K716 IonicContact OE2-NZ 3.93Å
679	T	61.8	Low	67.4	Low	12.3333 Å²	12.3333	45.8 Å²	45.8	8%	0.076	22%	0.219	C	C	.	.	S	Bend	trans	-64.1	146.4	-173.1	64.9	0	0	0	0	112.5	G676 S677 F681 Y682 K683 T711 Y717 D718 S736	G676-T679 WeakPolarHBondContact O-CB 3.46Å; G676-T679 VanDerWaalsContact O-CG2 3.23Å; G676-T679 WeakPolarHBondContact O-CG2 3.34Å; G676-T679 PolarHBondContact O-N 2.67Å; G676-T679 VanDerWaalsContact O-N 3.16Å; G676-T679 PolarHBondContact O-OG1 3.05Å; S677-T679 VanDerWaalsContact C-N 3.33Å; S677-T679 PolarHBondContact O-N 2.88Å; S677-T679 WeakPolarHBondContact OG-CB 3.46Å; S677-T679 WeakPolarHBondContact OG-CG2 3.38Å; S677-T679 PolarHBondContact OG-N 2.94Å; S677-T679 PolarHBondContact OG-OG1 3.44Å; T679-F681 VanDerWaalsContact C-N 3.29Å; T679-F681 PolarHBondContact O-N 3.06Å; T679-Y682 PolarHBondContact O-N 3.32Å; T679-Y682 VanDerWaalsContact OG1-CB 3.23Å; T679-Y682 WeakPolarHBondContact OG1-CB 3.34Å; T679-Y682 PolarHBondContact OG1-N 3.3Å; T679-K683 WeakPolarHBondContact O-CB 3.5Å; T679-K683 WeakPolarHBondContact O-CG 3.38Å; T679-K683 PolarHBondContact O-N 3.07Å; T679-K683 VanDerWaalsContact O-N 3.1Å; T679-T711 HydrophobicContact CG2-CG2 4.4Å; T679-Y717 VanDerWaalsContact CG2-C 3.5Å; T679-D718 HydrophobicContact CG2-CB 3.75Å; T679-S736 WeakPolarHBondContact CB-OG 3.34Å; T679-S736 VanDerWaalsContact CG2-OG 3.28Å; T679-S736 WeakPolarHBondContact CG2-OG 3.07Å
680	F	61.1	Low	66.6	Low	55.3333 Å²	55.3333	45.2 Å²	45.2	24%	0.243	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-45.5	176.5	171.9	-96.1	0	0	0	111.6	E678 Y682 K683 F684 Q740 F743 W750	E678-F680 VanDerWaalsContact C-N 3.26Å; E678-F680 PolarHBondContact O-N 2.84Å; E678-F680 VanDerWaalsContact O-N 3.1Å; F680-Y682 VanDerWaalsContact C-N 3.32Å; F680-Y682 PolarHBondContact O-N 3.04Å; F680-K683 CarbonylContact O-C 3.38Å; F680-K683 PolarHBondContact O-N 3.04Å; F680-F684 HydrophobicContact CE1-CB 4.25Å; F680-F684 HydrophobicContact CZ-CB 4.23Å; F680-F684 HydrophobicContact CZ-CD2 4.4Å; F680-F684 HydrophobicContact CZ-CG 4.46Å; F680-F684 VanDerWaalsContact O-CB 3.26Å; F680-F684 WeakPolarHBondContact O-CB 3.44Å; F680-F684 PolarHBondContact O-N 3.15Å; F680-Q740 HydrophobicContact CB-CB 3.75Å; F680-Q740 HydrophobicContact CB-CG 4.12Å; F680-Q740 HydrophobicContact CD1-CB 4.26Å; F680-Q740 HydrophobicContact CD2-CB 4.08Å; F680-Q740 HydrophobicContact CD2-CG 3.78Å; F680-Q740 HydrophobicContact CE2-CG 4.38Å; F680-Q740 HydrophobicContact CG-CB 4.07Å; F680-Q740 HydrophobicContact CG-CG 4.22Å; F680-F743 HydrophobicContact CD1-CD2 4.2Å; F680-F743 HydrophobicContact CD1-CE2 4.34Å; F680-F743 AromaticContact CE1-CD2 3.56Å; F680-F743 HydrophobicContact CE1-CD2 3.56Å; F680-F743 AromaticContact CE1-CE2 3.42Å; F680-F743 HydrophobicContact CE1-CE2 3.8Å; F680-F743 VanDerWaalsContact CE1-CE2 3.42Å; F680-F743 HydrophobicContact CE1-CG 4.27Å; F680-F743 HydrophobicContact CE1-CZ 4.39Å; F680-F743 HydrophobicContact CE2-CB 4.01Å; F680-F743 HydrophobicContact CE2-CD2 4.31Å; F680-F743 HydrophobicContact CE2-CG 4.44Å; F680-F743 HydrophobicContact CZ-CB 4.08Å; F680-F743 AromaticContact CZ-CD2 3.34Å; F680-F743 HydrophobicContact CZ-CD2 3.34Å; F680-F743 VanDerWaalsContact CZ-CD2 3.44Å; F680-F743 AromaticContact CZ-CE2 3.94Å; F680-F743 HydrophobicContact CZ-CE2 3.97Å; F680-F743 AromaticContact CZ-CG 3.87Å; F680-F743 HydrophobicContact CZ-CG 3.87Å; F680-W750 HydrophobicContact CE2-CH2 4.38Å; F680-W750 HydrophobicContact CE2-CZ2 4.37Å; F680-W750 AromaticContact CZ-CH2 3.98Å; F680-W750 HydrophobicContact CZ-CH2 3.98Å; F680-W750 HydrophobicContact CZ-CZ2 4.37Å
681	F	60.1	Low	65.3	Low	97.6667 Å²	97.6667	46.7 Å²	46.7	43%	0.428	23%	0.227	S	C	.	.	H	α-helix	trans	-62.2	-41.7	-179	-165.1	-100.4	0	0	0	111.3	Y673 E678 T679 F684 L685	Y673-F681 VanDerWaalsContact OH-CD1 3.3Å; Y673-F681 WeakPolarHBondContact OH-CD1 2.96Å; E678-F681 PolarHBondContact O-N 2.84Å; E678-F681 VanDerWaalsContact O-N 3.11Å; T679-F681 VanDerWaalsContact C-N 3.29Å; T679-F681 PolarHBondContact O-N 3.06Å; F681-F684 PolarHBondContact O-N 3.22Å; F681-L685 HydrophobicContact CD1-CD1 3.84Å; F681-L685 HydrophobicContact CD1-CG 4.41Å; F681-L685 HydrophobicContact CE1-CD1 3.38Å; F681-L685 HydrophobicContact CE1-CG 4.13Å; F681-L685 HydrophobicContact CE2-CD1 4.38Å; F681-L685 HydrophobicContact CE2-CG 4.49Å; F681-L685 HydrophobicContact CG-CD1 4.43Å; F681-L685 HydrophobicContact CZ-CD1 3.6Å; F681-L685 HydrophobicContact CZ-CG 4.19Å; F681-L685 WeakPolarHBondContact O-CB 3.43Å; F681-L685 WeakPolarHBondContact O-CG 3.42Å; F681-L685 PolarHBondContact O-N 2.94Å
682	Y	62.9	Low	63.8	Low	45 Å²	45	48.5 Å²	48.5	18%	0.176	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-50.7	174.5	-167.2	-85.7	0	0	0	111.7	I648 L649 Y675 S677 E678 T679 F680 F684 L685 I686 V707 Q710	I648-Y682 HydrophobicContact CD1-CE2 4.33Å; L649-Y682 HydrophobicContact CD1-CD2 4.23Å; Y675-Y682 AromaticContact CD2-CD2 3.84Å; Y675-Y682 HydrophobicContact CD2-CD2 4.12Å; Y675-Y682 HydrophobicContact CD2-CG 4.22Å; Y675-Y682 AromaticContact CE2-CD2 3.28Å; Y675-Y682 HydrophobicContact CE2-CD2 3.81Å; Y675-Y682 AromaticContact CE2-CE2 3.79Å; Y675-Y682 HydrophobicContact CE2-CE2 4.06Å; Y675-Y682 HydrophobicContact CE2-CG 4.07Å; Y675-Y682 AromaticContact CZ-CD2 3.95Å; S677-Y682 WeakPolarHBondContact O-CD1 3.3Å; E678-Y682 VanDerWaalsContact O-CB 3.26Å; E678-Y682 WeakPolarHBondContact O-CB 3.38Å; E678-Y682 PolarHBondContact O-N 3.2Å; T679-Y682 PolarHBondContact O-N 3.32Å; T679-Y682 VanDerWaalsContact OG1-CB 3.23Å; T679-Y682 WeakPolarHBondContact OG1-CB 3.34Å; T679-Y682 PolarHBondContact OG1-N 3.3Å; F680-Y682 VanDerWaalsContact C-N 3.32Å; F680-Y682 PolarHBondContact O-N 3.04Å; Y682-F684 VanDerWaalsContact C-N 3.3Å; Y682-F684 PolarHBondContact O-N 2.84Å; Y682-L685 PolarHBondContact O-N 3.05Å; Y682-I686 HydrophobicContact CD1-CD1 3.37Å; Y682-I686 HydrophobicContact CD1-CG1 3.93Å; Y682-I686 HydrophobicContact CD2-CD1 4.31Å; Y682-I686 HydrophobicContact CD2-CG1 3.96Å; Y682-I686 HydrophobicContact CE1-CD1 3.8Å; Y682-I686 HydrophobicContact CE1-CG1 3.81Å; Y682-I686 HydrophobicContact CE2-CD1 3.72Å; Y682-I686 VanDerWaalsContact CE2-CD1 3.49Å; Y682-I686 HydrophobicContact CE2-CG1 3.63Å; Y682-I686 HydrophobicContact CG-CG1 4.16Å; Y682-I686 VanDerWaalsContact CZ-CG1 3.46Å; Y682-I686 VanDerWaalsContact O-CB 3.31Å; Y682-I686 WeakPolarHBondContact O-CB 3.23Å; Y682-I686 VanDerWaalsContact O-CG1 3.27Å; Y682-I686 WeakPolarHBondContact O-CG1 3.39Å; Y682-I686 PolarHBondContact O-N 2.99Å; Y682-I686 WeakPolarHBondContact OH-CD1 3.25Å; Y682-V707 HydrophobicContact CD1-CG1 4.12Å; Y682-V707 HydrophobicContact CE1-CG1 3.43Å; Y682-V707 VanDerWaalsContact CE1-CG1 3.43Å; Y682-Q710 PolarHBondContact OH-OE1 2.51Å
683	K	64.1	Low	62.4	Low	111.667 Å²	111.667	47.9 Å²	47.9	49%	0.486	23%	0.231	S	C	.	.	H	α-helix	trans	-60.4	-39.5	177.8	-75.9	175.7	178.2	169.9	0	112.1	E678 T679 F680 N687	E678-K683 VanDerWaalsContact O-CE 3.31Å; E678-K683 WeakPolarHBondContact O-CE 3.36Å; E678-K683 PolarHBondContact O-NZ 3.21Å; T679-K683 WeakPolarHBondContact O-CB 3.5Å; T679-K683 WeakPolarHBondContact O-CG 3.38Å; T679-K683 PolarHBondContact O-N 3.07Å; T679-K683 VanDerWaalsContact O-N 3.1Å; F680-K683 CarbonylContact O-C 3.38Å; F680-K683 PolarHBondContact O-N 3.04Å; K683-N687 WeakPolarHBondContact O-CA 3.32Å; K683-N687 VanDerWaalsContact O-CB 3.25Å; K683-N687 WeakPolarHBondContact O-CB 3.38Å; K683-N687 VanDerWaalsContact O-CG 3.23Å; K683-N687 PolarHBondContact O-N 2.83Å
684	F	62.7	Low	60.9	Low	77 Å²	77	48 Å²	48	34%	0.338	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-51.3	176.1	174.2	-100.5	0	0	0	111.1	F680 F681 Y682 I686 N687 L688 F743 L804	F680-F684 HydrophobicContact CE1-CB 4.25Å; F680-F684 HydrophobicContact CZ-CB 4.23Å; F680-F684 HydrophobicContact CZ-CD2 4.4Å; F680-F684 HydrophobicContact CZ-CG 4.46Å; F680-F684 VanDerWaalsContact O-CB 3.26Å; F680-F684 WeakPolarHBondContact O-CB 3.44Å; F680-F684 PolarHBondContact O-N 3.15Å; F681-F684 PolarHBondContact O-N 3.22Å; Y682-F684 VanDerWaalsContact C-N 3.3Å; Y682-F684 PolarHBondContact O-N 2.84Å; F684-I686 PolarHBondContact O-N 2.78Å; F684-N687 PolarHBondContact O-N 2.89Å; F684-L688 HydrophobicContact CD1-CD1 4.02Å; F684-L688 HydrophobicContact CE1-CD1 3.47Å; F684-L688 HydrophobicContact CE2-CD1 4.15Å; F684-L688 HydrophobicContact CZ-CD1 3.45Å; F684-L688 HydrophobicContact CZ-CG 4.29Å; F684-L688 WeakPolarHBondContact O-CB 3.37Å; F684-L688 PolarHBondContact O-N 2.92Å; F684-F743 HydrophobicContact CE2-CE1 4.47Å; F684-L804 HydrophobicContact CZ-CD2 4.03Å
685	L	60.5	Low	59.4	Low	57.3333 Å²	57.3333	50.8 Å²	50.8	30%	0.3	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-42.2	179.6	-98.7	165.2	0	0	0	111.9	L649 F681 Y682 L688 I689	L649-L685 HydrophobicContact CD1-CB 3.93Å; L649-L685 HydrophobicContact CD1-CD1 3.69Å; L649-L685 HydrophobicContact CD1-CG 4.44Å; L649-L685 HydrophobicContact CD2-CD1 4.06Å; F681-L685 HydrophobicContact CD1-CD1 3.84Å; F681-L685 HydrophobicContact CD1-CG 4.41Å; F681-L685 HydrophobicContact CE1-CD1 3.38Å; F681-L685 HydrophobicContact CE1-CG 4.13Å; F681-L685 HydrophobicContact CE2-CD1 4.38Å; F681-L685 HydrophobicContact CE2-CG 4.49Å; F681-L685 HydrophobicContact CG-CD1 4.43Å; F681-L685 HydrophobicContact CZ-CD1 3.6Å; F681-L685 HydrophobicContact CZ-CG 4.19Å; F681-L685 WeakPolarHBondContact O-CB 3.43Å; F681-L685 WeakPolarHBondContact O-CG 3.42Å; F681-L685 PolarHBondContact O-N 2.94Å; Y682-L685 PolarHBondContact O-N 3.05Å; L685-L688 WeakPolarHBondContact O-CB 3.23Å; L685-L688 PolarHBondContact O-N 2.72Å; L685-I689 HydrophobicContact CD2-CD1 3.77Å; L685-I689 WeakPolarHBondContact O-CB 3.34Å; L685-I689 WeakPolarHBondContact O-CD1 3.26Å; L685-I689 VanDerWaalsContact O-CG1 3.23Å; L685-I689 WeakPolarHBondContact O-CG1 3.26Å; L685-I689 PolarHBondContact O-N 3.14Å
686	I	63	Low	58.1	Low	11 Å²	11	52.5 Å²	52.5	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-45.4	175.1	-70.8	-112.2	0	0	0	110.6	Y682 F684 L688 I689 K690 V707	Y682-I686 HydrophobicContact CD1-CD1 3.37Å; Y682-I686 HydrophobicContact CD1-CG1 3.93Å; Y682-I686 HydrophobicContact CD2-CD1 4.31Å; Y682-I686 HydrophobicContact CD2-CG1 3.96Å; Y682-I686 HydrophobicContact CE1-CD1 3.8Å; Y682-I686 HydrophobicContact CE1-CG1 3.81Å; Y682-I686 HydrophobicContact CE2-CD1 3.72Å; Y682-I686 VanDerWaalsContact CE2-CD1 3.49Å; Y682-I686 HydrophobicContact CE2-CG1 3.63Å; Y682-I686 HydrophobicContact CG-CG1 4.16Å; Y682-I686 VanDerWaalsContact CZ-CG1 3.46Å; Y682-I686 VanDerWaalsContact O-CB 3.31Å; Y682-I686 WeakPolarHBondContact O-CB 3.23Å; Y682-I686 VanDerWaalsContact O-CG1 3.27Å; Y682-I686 WeakPolarHBondContact O-CG1 3.39Å; Y682-I686 PolarHBondContact O-N 2.99Å; Y682-I686 WeakPolarHBondContact OH-CD1 3.25Å; F684-I686 PolarHBondContact O-N 2.78Å; I686-L688 VanDerWaalsContact C-N 3.32Å; I686-L688 PolarHBondContact O-N 2.72Å; I686-I689 CarbonylContact O-C 3.57Å; I686-I689 PolarHBondContact O-N 3.04Å; I686-K690 HydrophobicContact CG2-CD 3.88Å; I686-K690 VanDerWaalsContact CG2-CE 3.49Å; I686-K690 HydrophobicContact CG2-CG 4.15Å; I686-K690 WeakPolarHBondContact O-CA 3.38Å; I686-K690 VanDerWaalsContact O-CB 3.28Å; I686-K690 WeakPolarHBondContact O-CB 3.34Å; I686-K690 VanDerWaalsContact O-CG 3.26Å; I686-K690 WeakPolarHBondContact O-CG 3.19Å; I686-K690 PolarHBondContact O-N 3.38Å; I686-V707 HydrophobicContact CD1-CB 3.91Å; I686-V707 HydrophobicContact CD1-CG1 3.82Å; I686-V707 HydrophobicContact CG1-CG1 4.44Å; I686-V707 HydrophobicContact CG2-CG1 3.83Å
687	N	62	Low	57.2	Low	97.3333 Å²	97.3333	54 Å²	54	52%	0.52	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-46.5	176.6	-89.7	-1.5	0	0	0	110	K683 F684 I689 K690 T691	K683-N687 WeakPolarHBondContact O-CA 3.32Å; K683-N687 VanDerWaalsContact O-CB 3.25Å; K683-N687 WeakPolarHBondContact O-CB 3.38Å; K683-N687 VanDerWaalsContact O-CG 3.23Å; K683-N687 PolarHBondContact O-N 2.83Å; F684-N687 PolarHBondContact O-N 2.89Å; N687-I689 VanDerWaalsContact C-N 3.33Å; N687-I689 PolarHBondContact O-N 2.83Å; N687-K690 CarbonylContact O-C 3.36Å; N687-K690 WeakPolarHBondContact O-CB 3.48Å; N687-K690 PolarHBondContact O-N 3Å; N687-K690 VanDerWaalsContact O-N 3.1Å; N687-T691 WeakPolarHBondContact O-CB 3.23Å; N687-T691 PolarHBondContact O-N 2.93Å; N687-T691 PolarHBondContact O-OG1 3.03Å
688	L	56.3	Low	56.4	Low	45.3333 Å²	45.3333	57.3 Å²	57.3	24%	0.237	29%	0.294	C	S	.	.	H	α-helix	trans	-54.9	-49.9	175	-122.2	162.4	0	0	0	111.5	F684 L685 I686 K690 T691 I692 F846	F684-L688 HydrophobicContact CD1-CD1 4.02Å; F684-L688 HydrophobicContact CE1-CD1 3.47Å; F684-L688 HydrophobicContact CE2-CD1 4.15Å; F684-L688 HydrophobicContact CZ-CD1 3.45Å; F684-L688 HydrophobicContact CZ-CG 4.29Å; F684-L688 WeakPolarHBondContact O-CB 3.37Å; F684-L688 PolarHBondContact O-N 2.92Å; L685-L688 WeakPolarHBondContact O-CB 3.23Å; L685-L688 PolarHBondContact O-N 2.72Å; I686-L688 VanDerWaalsContact C-N 3.32Å; I686-L688 PolarHBondContact O-N 2.72Å; L688-K690 VanDerWaalsContact C-N 3.33Å; L688-K690 PolarHBondContact O-N 3.13Å; L688-T691 WeakPolarHBondContact CA-OG1 3.32Å; L688-T691 PolarHBondContact O-N 3.14Å; L688-T691 PolarHBondContact O-OG1 3.17Å; L688-T691 VanDerWaalsContact O-OG1 3.11Å; L688-I692 HydrophobicContact CD2-CD1 4.05Å; L688-I692 HydrophobicContact CD2-CG1 4.5Å; L688-I692 WeakPolarHBondContact O-CB 3.39Å; L688-I692 WeakPolarHBondContact O-CD1 3.45Å; L688-I692 VanDerWaalsContact O-CG1 3.22Å; L688-I692 WeakPolarHBondContact O-CG1 3.29Å; L688-I692 PolarHBondContact O-N 3.22Å; L688-F846 HydrophobicContact CD2-CD2 4.25Å; L688-F846 HydrophobicContact CD2-CE1 4.11Å; L688-F846 HydrophobicContact CD2-CE2 3.48Å; L688-F846 VanDerWaalsContact CD2-CE2 3.48Å; L688-F846 HydrophobicContact CD2-CZ 3.4Å
689	I	58.4	Low	55.9	Low	50.6667 Å²	50.6667	62.9 Å²	62.9	26%	0.26	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-44.7	176.6	-68.4	164.6	0	0	0	110.4	I648 L649 L685 I686 N687 T691 I692 T693 T704	I648-I689 HydrophobicContact CD1-CG2 4.09Å; I648-I689 HydrophobicContact CG2-CD1 3.9Å; I648-I689 HydrophobicContact CG2-CG2 4.44Å; L649-I689 HydrophobicContact CD2-CD1 4.45Å; L685-I689 HydrophobicContact CD2-CD1 3.77Å; L685-I689 WeakPolarHBondContact O-CB 3.34Å; L685-I689 WeakPolarHBondContact O-CD1 3.26Å; L685-I689 VanDerWaalsContact O-CG1 3.23Å; L685-I689 WeakPolarHBondContact O-CG1 3.26Å; L685-I689 PolarHBondContact O-N 3.14Å; I686-I689 CarbonylContact O-C 3.57Å; I686-I689 PolarHBondContact O-N 3.04Å; N687-I689 VanDerWaalsContact C-N 3.33Å; N687-I689 PolarHBondContact O-N 2.83Å; I689-T691 PolarHBondContact O-N 2.76Å; I689-I692 CarbonylContact O-C 3.43Å; I689-I692 WeakPolarHBondContact O-CA 3.47Å; I689-I692 WeakPolarHBondContact O-CB 3.09Å; I689-I692 PolarHBondContact O-N 3.11Å; I689-I692 VanDerWaalsContact O-N 3.1Å; I689-T693 HydrophobicContact CG2-CG2 4.01Å; I689-T693 WeakPolarHBondContact O-CB 3.39Å; I689-T693 VanDerWaalsContact O-CG2 3.28Å; I689-T693 WeakPolarHBondContact O-CG2 3.21Å; I689-T693 PolarHBondContact O-N 3.03Å; I689-T693 PolarHBondContact O-OG1 3Å; I689-T693 VanDerWaalsContact O-OG1 3.1Å; I689-T704 HydrophobicContact CG2-CG2 4.14Å
690	K	57.8	Low	55.2	Low	39.3333 Å²	39.3333	65.2 Å²	65.2	17%	0.171	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-42.4	177.6	-78.2	-178.8	179.3	-178.3	0	112.2	I686 N687 L688 I692 T693 S694 T704 D708	I686-K690 HydrophobicContact CG2-CD 3.88Å; I686-K690 VanDerWaalsContact CG2-CE 3.49Å; I686-K690 HydrophobicContact CG2-CG 4.15Å; I686-K690 WeakPolarHBondContact O-CA 3.38Å; I686-K690 VanDerWaalsContact O-CB 3.28Å; I686-K690 WeakPolarHBondContact O-CB 3.34Å; I686-K690 VanDerWaalsContact O-CG 3.26Å; I686-K690 WeakPolarHBondContact O-CG 3.19Å; I686-K690 PolarHBondContact O-N 3.38Å; N687-K690 CarbonylContact O-C 3.36Å; N687-K690 WeakPolarHBondContact O-CB 3.48Å; N687-K690 PolarHBondContact O-N 3Å; N687-K690 VanDerWaalsContact O-N 3.1Å; L688-K690 VanDerWaalsContact C-N 3.33Å; L688-K690 PolarHBondContact O-N 3.13Å; K690-I692 VanDerWaalsContact C-N 3.31Å; K690-I692 PolarHBondContact O-N 3.15Å; K690-T693 WeakPolarHBondContact CA-OG1 3.43Å; K690-T693 PolarHBondContact O-N 3.12Å; K690-T693 PolarHBondContact O-OG1 2.9Å; K690-S694 WeakPolarHBondContact O-CA 3.45Å; K690-S694 VanDerWaalsContact O-CB 3.22Å; K690-S694 WeakPolarHBondContact O-CB 3.46Å; K690-S694 PolarHBondContact O-N 3.01Å; K690-S694 PolarHBondContact O-OG 2.89Å; K690-T704 HydrophobicContact CG-CG2 4.3Å; K690-D708 IonicContact NZ-OD1 3.37Å; K690-D708 PolarHBondContact NZ-OD1 3.05Å; K690-D708 IonicContact NZ-OD2 2.9Å; K690-D708 PolarHBondContact NZ-OD2 3.1Å
691	T	53.8	Low	54.7	Low	61.3333 Å²	61.3333	67.5 Å²	67.5	38%	0.376	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-31.9	175	-6.2	0	0	0	0	110.7	N687 L688 I689 S694 T695 Y696 Y800	N687-T691 WeakPolarHBondContact O-CB 3.23Å; N687-T691 PolarHBondContact O-N 2.93Å; N687-T691 PolarHBondContact O-OG1 3.03Å; L688-T691 WeakPolarHBondContact CA-OG1 3.32Å; L688-T691 PolarHBondContact O-N 3.14Å; L688-T691 PolarHBondContact O-OG1 3.17Å; L688-T691 VanDerWaalsContact O-OG1 3.11Å; I689-T691 PolarHBondContact O-N 2.76Å; T691-S694 PolarHBondContact O-OG 3.08Å; T691-T695 WeakPolarHBondContact O-CB 3.41Å; T691-T695 PolarHBondContact O-N 3.14Å; T691-T695 VanDerWaalsContact O-N 3.12Å; T691-T695 PolarHBondContact O-OG1 2.99Å; T691-Y696 VanDerWaalsContact O-CE2 3.23Å; T691-Y696 WeakPolarHBondContact O-CE2 3.3Å; T691-Y800 WeakPolarHBondContact CG2-OH 3.31Å
692	I	48.5	Very low	54.3	Low	65.3333 Å²	65.3333	68.9 Å²	68.9	34%	0.335	35%	0.345	S	S	.	.	H	α-helix	trans	-75.5	-44.1	174.6	-66.5	166.1	0	0	0	111	L688 I689 K690 Y696 L857	L688-I692 HydrophobicContact CD2-CD1 4.05Å; L688-I692 HydrophobicContact CD2-CG1 4.5Å; L688-I692 WeakPolarHBondContact O-CB 3.39Å; L688-I692 WeakPolarHBondContact O-CD1 3.45Å; L688-I692 VanDerWaalsContact O-CG1 3.22Å; L688-I692 WeakPolarHBondContact O-CG1 3.29Å; L688-I692 PolarHBondContact O-N 3.22Å; I689-I692 CarbonylContact O-C 3.43Å; I689-I692 WeakPolarHBondContact O-CA 3.47Å; I689-I692 WeakPolarHBondContact O-CB 3.09Å; I689-I692 PolarHBondContact O-N 3.11Å; I689-I692 VanDerWaalsContact O-N 3.1Å; K690-I692 VanDerWaalsContact C-N 3.31Å; K690-I692 PolarHBondContact O-N 3.15Å; I692-Y696 HydrophobicContact CG2-CD2 4.39Å; I692-Y696 WeakPolarHBondContact O-CB 3.29Å; I692-Y696 VanDerWaalsContact O-CD2 3.32Å; I692-Y696 WeakPolarHBondContact O-CD2 3.31Å; I692-Y696 PolarHBondContact O-N 3Å; I692-Y696 VanDerWaalsContact O-N 3.09Å; I692-L857 HydrophobicContact CD1-CD1 4.24Å; I692-L857 HydrophobicContact CG1-CD1 3.92Å
693	T	52.1	Low	53.7	Low	5.33333 Å²	5.33333	74.8 Å²	74.8	3%	0.033	37%	0.368	C	S	.	.	H	α-helix	trans	-81.3	-42.3	-173.5	56.8	0	0	0	0	113.3	I689 K690 T695 V697 M700 T704	I689-T693 HydrophobicContact CG2-CG2 4.01Å; I689-T693 WeakPolarHBondContact O-CB 3.39Å; I689-T693 VanDerWaalsContact O-CG2 3.28Å; I689-T693 WeakPolarHBondContact O-CG2 3.21Å; I689-T693 PolarHBondContact O-N 3.03Å; I689-T693 PolarHBondContact O-OG1 3Å; I689-T693 VanDerWaalsContact O-OG1 3.1Å; K690-T693 WeakPolarHBondContact CA-OG1 3.43Å; K690-T693 PolarHBondContact O-N 3.12Å; K690-T693 PolarHBondContact O-OG1 2.9Å; T693-T695 PolarHBondContact O-N 2.93Å; T693-V697 CarbonylContact O-C 3.4Å; T693-V697 WeakPolarHBondContact O-CA 3.27Å; T693-V697 PolarHBondContact O-N 3.12Å; T693-M700 HydrophobicContact CG2-CB 3.92Å; T693-M700 HydrophobicContact CG2-CE 4Å; T693-M700 HydrophobicContact CG2-CG 4.2Å; T693-M700 HydrophobicContact CG2-SD 4.06Å; T693-T704 HydrophobicContact CG2-CG2 3.98Å; T693-T704 VanDerWaalsContact OG1-CG2 3.27Å; T693-T704 WeakPolarHBondContact OG1-CG2 3.38Å
694	S	51.5	Low	53	Low	55.3333 Å²	55.3333	70.1 Å²	70.1	39%	0.387	35%	0.349	S	S	.	.	H	α-helix	trans	-68.4	-28	-175.9	66.3	0	0	0	0	113.6	K690 T691 K701	K690-S694 WeakPolarHBondContact O-CA 3.45Å; K690-S694 VanDerWaalsContact O-CB 3.22Å; K690-S694 WeakPolarHBondContact O-CB 3.46Å; K690-S694 PolarHBondContact O-N 3.01Å; K690-S694 PolarHBondContact O-OG 2.89Å; T691-S694 PolarHBondContact O-OG 3.08Å; S694-K701 VanDerWaalsContact O-CE 3.31Å; S694-K701 WeakPolarHBondContact O-CE 3.35Å
695	T	45	Very low	52.4	Low	74 Å²	74	70.5 Å²	70.5	45%	0.454	36%	0.358	S	S	.	.	H	α-helix	trans	-100.4	-32.9	-178.4	39.5	0	0	0	0	113.5	T691 T693	T691-T695 WeakPolarHBondContact O-CB 3.41Å; T691-T695 PolarHBondContact O-N 3.14Å; T691-T695 VanDerWaalsContact O-N 3.12Å; T691-T695 PolarHBondContact O-OG1 2.99Å; T693-T695 PolarHBondContact O-N 2.93Å
696	Y	46.8	Very low	52	Low	49 Å²	49	72.7 Å²	72.7	19%	0.192	37%	0.369	C	S	.	.	H	α-helix	trans	-121	-17.9	-171.2	-50.3	-69.3	0	0	0	115.3	T691 I692 D851 L855 I912 K914 L928 Y944	T691-Y696 VanDerWaalsContact O-CE2 3.23Å; T691-Y696 WeakPolarHBondContact O-CE2 3.3Å; I692-Y696 HydrophobicContact CG2-CD2 4.39Å; I692-Y696 WeakPolarHBondContact O-CB 3.29Å; I692-Y696 VanDerWaalsContact O-CD2 3.32Å; I692-Y696 WeakPolarHBondContact O-CD2 3.31Å; I692-Y696 PolarHBondContact O-N 3Å; I692-Y696 VanDerWaalsContact O-N 3.09Å; Y696-D851 PolarHBondContact OH-O 2.93Å; Y696-L855 HydrophobicContact CD1-CD2 4.25Å; Y696-L855 HydrophobicContact CD2-CD1 3.68Å; Y696-L855 HydrophobicContact CD2-CD2 4.22Å; Y696-L855 HydrophobicContact CE1-CB 4.16Å; Y696-L855 HydrophobicContact CE1-CD1 3.88Å; Y696-L855 HydrophobicContact CE1-CD2 3.46Å; Y696-L855 VanDerWaalsContact CE1-CD2 3.46Å; Y696-L855 HydrophobicContact CE1-CG 3.93Å; Y696-L855 HydrophobicContact CE2-CB 4.12Å; Y696-L855 HydrophobicContact CE2-CD1 3.88Å; Y696-L855 HydrophobicContact CE2-CD2 3.39Å; Y696-L855 HydrophobicContact CE2-CG 4.38Å; Y696-L855 VanDerWaalsContact CZ-CD1 3.46Å; Y696-L855 WeakPolarHBondContact OH-CD1 3.3Å; Y696-L855 VanDerWaalsContact OH-CD2 3.31Å; Y696-L855 WeakPolarHBondContact OH-CD2 2.91Å; Y696-L855 WeakPolarHBondContact OH-CG 3.35Å; Y696-I912 HydrophobicContact CE1-CD1 4.27Å; Y696-I912 HydrophobicContact CE1-CG2 3.71Å; Y696-I912 HydrophobicContact CE2-CD1 3.91Å; Y696-I912 VanDerWaalsContact OH-CG2 3.24Å; Y696-I912 WeakPolarHBondContact OH-CG2 3.31Å; Y696-K914 HydrophobicContact CD1-CD 3.95Å; Y696-K914 HydrophobicContact CE1-CD 3.99Å; Y696-L928 HydrophobicContact CD1-CD1 4.27Å; Y696-L928 HydrophobicContact CD1-CD2 3.74Å; Y696-L928 HydrophobicContact CE1-CD1 3.61Å; Y696-L928 HydrophobicContact CE1-CD2 3.78Å; Y696-L928 HydrophobicContact CE1-CG 4.21Å; Y696-Y944 AromaticContact CD1-CD1 3.71Å; Y696-Y944 HydrophobicContact CD1-CD1 3.71Å; Y696-Y944 AromaticContact CD1-CE1 3.54Å; Y696-Y944 HydrophobicContact CD1-CE1 3.54Å; Y696-Y944 AromaticContact CE1-CD1 3.93Å; Y696-Y944 HydrophobicContact CE1-CD1 3.93Å; Y696-Y944 AromaticContact CE1-CE1 3.98Å; Y696-Y944 HydrophobicContact CE1-CE1 3.98Å
697	V	46.4	Very low	51.4	Low	34 Å²	34	73 Å²	73	21%	0.206	37%	0.372	C	S	.	.			trans	-135.1	72.4	-177.7	-162.1	0	0	0	0	111.5	T693 W699 M700	T693-V697 CarbonylContact O-C 3.4Å; T693-V697 WeakPolarHBondContact O-CA 3.27Å; T693-V697 PolarHBondContact O-N 3.12Å; V697-W699 VanDerWaalsContact C-N 3.29Å; V697-W699 HydrophobicContact CG1-CD2 4.11Å; V697-W699 HydrophobicContact CG1-CG 4.23Å; V697-W699 HydrophobicContact CG1-CZ2 3.83Å; V697-W699 PolarHBondContact O-N 3.02Å; V697-W699 VanDerWaalsContact O-N 3.12Å; V697-M700 HydrophobicContact CB-CB 4.46Å; V697-M700 HydrophobicContact CB-CE 3.95Å; V697-M700 HydrophobicContact CG1-CB 4.31Å; V697-M700 HydrophobicContact CG1-CE 3.62Å; V697-M700 HydrophobicContact CG1-CG 4.08Å; V697-M700 HydrophobicContact CG1-SD 4.16Å; V697-M700 HydrophobicContact CG2-CE 4.16Å; V697-M700 PolarHBondContact O-N 3.19Å; V697-M700 VanDerWaalsContact O-N 3.1Å
698	P	47.5	Very low	50.8	Low	87.6667 Å²	87.6667	72.9 Å²	72.9	57%	0.569	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-59.8	-31.4	-169.9	-23	32.4	0	0	0	114.3	M700 K701	P698-M700 PolarHBondContact O-N 3.2Å; P698-M700 VanDerWaalsContact O-N 3.15Å; P698-K701 VanDerWaalsContact O-CB 3.23Å; P698-K701 WeakPolarHBondContact O-CB 3.43Å; P698-K701 PolarHBondContact O-N 2.98Å; P698-K701 VanDerWaalsContact O-N 3.09Å
699	W	50.9	Low	50.4	Low	188 Å²	188	77.4 Å²	77.4	71%	0.712	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-67	-16.3	178.6	64.8	-95.9	0	0	0	113.5	V697 K701	V697-W699 VanDerWaalsContact C-N 3.29Å; V697-W699 HydrophobicContact CG1-CD2 4.11Å; V697-W699 HydrophobicContact CG1-CG 4.23Å; V697-W699 HydrophobicContact CG1-CZ2 3.83Å; V697-W699 PolarHBondContact O-N 3.02Å; V697-W699 VanDerWaalsContact O-N 3.12Å; W699-K701 VanDerWaalsContact C-N 3.31Å
700	M	48.3	Very low	49.8	Very low	62 Å²	62	79 Å²	79	31%	0.305	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-87.9	-2.7	171.2	-77.9	-161.9	-59.1	0	0	113.4	T693 V697 P698 D702 Y703 T704	T693-M700 HydrophobicContact CG2-CB 3.92Å; T693-M700 HydrophobicContact CG2-CE 4Å; T693-M700 HydrophobicContact CG2-CG 4.2Å; T693-M700 HydrophobicContact CG2-SD 4.06Å; V697-M700 HydrophobicContact CB-CB 4.46Å; V697-M700 HydrophobicContact CB-CE 3.95Å; V697-M700 HydrophobicContact CG1-CB 4.31Å; V697-M700 HydrophobicContact CG1-CE 3.62Å; V697-M700 HydrophobicContact CG1-CG 4.08Å; V697-M700 HydrophobicContact CG1-SD 4.16Å; V697-M700 HydrophobicContact CG2-CE 4.16Å; V697-M700 PolarHBondContact O-N 3.19Å; V697-M700 VanDerWaalsContact O-N 3.1Å; P698-M700 PolarHBondContact O-N 3.2Å; P698-M700 VanDerWaalsContact O-N 3.15Å; M700-D702 VanDerWaalsContact C-N 3.28Å; M700-D702 PolarHBondContact O-N 2.95Å; M700-Y703 WeakPolarHBondContact O-CB 3.45Å; M700-Y703 PolarHBondContact O-N 3.05Å; M700-Y703 VanDerWaalsContact O-N 3.1Å; M700-T704 PolarHBondContact O-N 2.83Å
701	K	49.7	Very low	49.2	Very low	103 Å²	103	81.6 Å²	81.6	45%	0.448	42%	0.421	S	S	.	.	H	α-helix	trans	-53.9	-44.9	177.5	-96.6	-178.6	169.3	176.6	0	111.3	S694 P698 W699 Y703 T704 V705	S694-K701 VanDerWaalsContact O-CE 3.31Å; S694-K701 WeakPolarHBondContact O-CE 3.35Å; P698-K701 VanDerWaalsContact O-CB 3.23Å; P698-K701 WeakPolarHBondContact O-CB 3.43Å; P698-K701 PolarHBondContact O-N 2.98Å; P698-K701 VanDerWaalsContact O-N 3.09Å; W699-K701 VanDerWaalsContact C-N 3.31Å; K701-Y703 VanDerWaalsContact C-N 3.27Å; K701-Y703 PolarHBondContact O-N 3.1Å; K701-Y703 VanDerWaalsContact O-N 3.13Å; K701-T704 CarbonylContact O-C 3.59Å; K701-T704 WeakPolarHBondContact O-CA 3.47Å; K701-T704 PolarHBondContact O-N 3.04Å; K701-T704 PolarHBondContact O-OG1 3.07Å; K701-V705 VanDerWaalsContact O-CG2 3.29Å; K701-V705 WeakPolarHBondContact O-CG2 3.26Å; K701-V705 PolarHBondContact O-N 2.86Å
702	D	52.7	Low	48.8	Very low	127.667 Å²	127.667	86.3 Å²	86.3	68%	0.683	44%	0.439	S	S	*	.	H	α-helix	trans	-59	-32.1	-177	-64.5	-14	0	0	0	112.7	M700 T704 N706	M700-D702 VanDerWaalsContact C-N 3.28Å; M700-D702 PolarHBondContact O-N 2.95Å; D702-T704 VanDerWaalsContact C-N 3.3Å; D702-T704 PolarHBondContact O-N 3Å; D702-N706 PolarHBondContact O-N 3.33Å
703	Y	50.3	Low	48.7	Very low	169 Å²	169	86.2 Å²	86.2	66%	0.663	44%	0.441	S	S	*	.	H	α-helix	trans	-72	-32	175.1	-94.9	-83.5	0	0	0	113	M700 K701	M700-Y703 WeakPolarHBondContact O-CB 3.45Å; M700-Y703 PolarHBondContact O-N 3.05Å; M700-Y703 VanDerWaalsContact O-N 3.1Å; K701-Y703 VanDerWaalsContact C-N 3.27Å; K701-Y703 PolarHBondContact O-N 3.1Å; K701-Y703 VanDerWaalsContact O-N 3.13Å
704	T	48.9	Very low	48.5	Very low	13.3333 Å²	13.3333	91.5 Å²	91.5	8%	0.082	46%	0.464	C	S	.	.	H	α-helix	trans	-87.4	-23.9	-179.2	59.7	0	0	0	0	114.1	I648 I689 K690 T693 M700 K701 D702 N706 V707	I648-T704 HydrophobicContact CD1-CG2 4.13Å; I689-T704 HydrophobicContact CG2-CG2 4.14Å; K690-T704 HydrophobicContact CG-CG2 4.3Å; T693-T704 HydrophobicContact CG2-CG2 3.98Å; T693-T704 VanDerWaalsContact OG1-CG2 3.27Å; T693-T704 WeakPolarHBondContact OG1-CG2 3.38Å; M700-T704 PolarHBondContact O-N 2.83Å; K701-T704 CarbonylContact O-C 3.59Å; K701-T704 WeakPolarHBondContact O-CA 3.47Å; K701-T704 PolarHBondContact O-N 3.04Å; K701-T704 PolarHBondContact O-OG1 3.07Å; D702-T704 VanDerWaalsContact C-N 3.3Å; D702-T704 PolarHBondContact O-N 3Å; T704-N706 VanDerWaalsContact C-N 3.32Å; T704-N706 PolarHBondContact O-N 2.79Å; T704-V707 VanDerWaalsContact O-CB 3.25Å; T704-V707 WeakPolarHBondContact O-CB 3.11Å; T704-V707 WeakPolarHBondContact O-CG2 3.31Å; T704-V707 PolarHBondContact O-N 2.93Å; T704-V707 VanDerWaalsContact O-N 3.15Å
705	V	50.7	Low	48.6	Very low	85.3333 Å²	85.3333	93.3 Å²	93.3	52%	0.517	46%	0.463	S	S	.	.	H	α-helix	trans	-65.4	-35.9	178.5	172.1	0	0	0	0	111	K701 V707 D708	K701-V705 VanDerWaalsContact O-CG2 3.29Å; K701-V705 WeakPolarHBondContact O-CG2 3.26Å; K701-V705 PolarHBondContact O-N 2.86Å; V705-V707 PolarHBondContact O-N 3.05Å; V705-D708 PolarHBondContact O-N 3.46Å
706	N	50.8	Low	49.2	Very low	102 Å²	102	94.1 Å²	94.1	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-70.5	-11	178.1	-81.8	-7.3	0	0	0	114.5	D702 T704	D702-N706 PolarHBondContact O-N 3.33Å; T704-N706 VanDerWaalsContact C-N 3.32Å; T704-N706 PolarHBondContact O-N 2.79Å
707	V	50.5	Low	49.9	Very low	18 Å²	18	97.5 Å²	97.5	11%	0.109	47%	0.473	C	S	.	.	H	α-helix	trans	-81.7	-31.4	-178	-176.1	0	0	0	0	112.3	I648 Y682 I686 T704 V705 N709 Q710	I648-V707 HydrophobicContact CD1-CG2 3.51Å; I648-V707 VanDerWaalsContact CD1-CG2 3.46Å; I648-V707 HydrophobicContact CG1-CG2 4.2Å; Y682-V707 HydrophobicContact CD1-CG1 4.12Å; Y682-V707 HydrophobicContact CE1-CG1 3.43Å; Y682-V707 VanDerWaalsContact CE1-CG1 3.43Å; I686-V707 HydrophobicContact CD1-CB 3.91Å; I686-V707 HydrophobicContact CD1-CG1 3.82Å; I686-V707 HydrophobicContact CG1-CG1 4.44Å; I686-V707 HydrophobicContact CG2-CG1 3.83Å; T704-V707 VanDerWaalsContact O-CB 3.25Å; T704-V707 WeakPolarHBondContact O-CB 3.11Å; T704-V707 WeakPolarHBondContact O-CG2 3.31Å; T704-V707 PolarHBondContact O-N 2.93Å; T704-V707 VanDerWaalsContact O-N 3.15Å; V705-V707 PolarHBondContact O-N 3.05Å; V707-N709 PolarHBondContact O-N 3.16Å; V707-N709 VanDerWaalsContact O-N 3.15Å; V707-Q710 WeakPolarHBondContact O-CB 3.36Å; V707-Q710 VanDerWaalsContact O-CG 3.28Å; V707-Q710 WeakPolarHBondContact O-CG 3.39Å; V707-Q710 PolarHBondContact O-N 2.97Å; V707-Q710 VanDerWaalsContact O-N 3.11Å; V707-Q710 PolarHBondContact O-OE1 2.77Å
708	D	49.6	Very low	50.8	Low	95.6667 Å²	95.6667	95.9 Å²	95.9	51%	0.512	46%	0.464	S	S	.	.	H	α-helix	trans	-67.1	-29	-178.2	-77.9	-36	0	0	0	112.9	K690 V705 Q710 T711	K690-D708 IonicContact NZ-OD1 3.37Å; K690-D708 PolarHBondContact NZ-OD1 3.05Å; K690-D708 IonicContact NZ-OD2 2.9Å; K690-D708 PolarHBondContact NZ-OD2 3.1Å; V705-D708 PolarHBondContact O-N 3.46Å; D708-Q710 VanDerWaalsContact C-N 3.25Å; D708-Q710 PolarHBondContact O-N 2.94Å; D708-T711 PolarHBondContact O-OG1 3.06Å
709	N	48	Very low	51.9	Low	139.667 Å²	139.667	92.7 Å²	92.7	75%	0.747	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.1	179.4	-72.8	-13.6	0	0	0	114	V707 T711	V707-N709 PolarHBondContact O-N 3.16Å; V707-N709 VanDerWaalsContact O-N 3.15Å; N709-T711 PolarHBondContact O-N 2.78Å
710	Q	46.9	Very low	52.9	Low	83 Å²	83	85.4 Å²	85.4	39%	0.388	42%	0.418	S	S	.	.			trans	-95.9	32.5	-176.8	-69.2	-175.4	-12.1	0	0	113.9	S645 Y646 Y682 V707 D708 Q712 T713	S645-Q710 PolarHBondContact O-OE1 3.23Å; S645-Q710 VanDerWaalsContact O-OE1 3.09Å; Y646-Q710 VanDerWaalsContact CB-NE2 3.33Å; Y646-Q710 PolarHBondContact O-NE2 3.27Å; Y682-Q710 PolarHBondContact OH-OE1 2.51Å; V707-Q710 WeakPolarHBondContact O-CB 3.36Å; V707-Q710 VanDerWaalsContact O-CG 3.28Å; V707-Q710 WeakPolarHBondContact O-CG 3.39Å; V707-Q710 PolarHBondContact O-N 2.97Å; V707-Q710 VanDerWaalsContact O-N 3.11Å; V707-Q710 PolarHBondContact O-OE1 2.77Å; D708-Q710 VanDerWaalsContact C-N 3.25Å; D708-Q710 PolarHBondContact O-N 2.94Å; Q710-Q712 VanDerWaalsContact C-N 3.34Å; Q710-Q712 PolarHBondContact O-N 3.07Å; Q710-Q712 VanDerWaalsContact O-N 3.09Å; Q710-T713 PolarHBondContact O-N 3.2Å
711	T	44.7	Very low	53.9	Low	95 Å²	95	84.2 Å²	84.2	58%	0.583	41%	0.411	S	S	*	.			trans	-78.5	20.4	176	54.3	0	0	0	0	113	T679 D708 N709 T713	T679-T711 HydrophobicContact CG2-CG2 4.4Å; D708-T711 PolarHBondContact O-OG1 3.06Å; N709-T711 PolarHBondContact O-N 2.78Å; T711-T713 PolarHBondContact O-N 3.14Å
712	Q	45.7	Very low	54.9	Low	160 Å²	160	81.2 Å²	81.2	75%	0.748	40%	0.399	S	S	*	.			trans	-85.6	56	176.8	-71.5	-174.6	-9.9	0	0	113.2	Q710 F714	Q710-Q712 VanDerWaalsContact C-N 3.34Å; Q710-Q712 PolarHBondContact O-N 3.07Å; Q710-Q712 VanDerWaalsContact O-N 3.09Å; Q712-F714 HydrophobicContact CB-CE2 4.35Å; Q712-F714 PolarHBondContact O-N 2.89Å; Q712-F714 VanDerWaalsContact O-N 3.11Å
713	T	45.3	Very low	55.6	Low	63.3333 Å²	63.3333	77.3 Å²	77.3	39%	0.389	38%	0.376	S	S	.	.			trans	-75.4	113.3	170	64.4	0	0	0	0	110.2	S677 Q710 T711 R715	S677-T713 WeakPolarHBondContact CA-OG1 3.4Å; S677-T713 VanDerWaalsContact CB-CB 3.49Å; S677-T713 WeakPolarHBondContact CB-OG1 3.25Å; S677-T713 PolarHBondContact N-OG1 3.15Å; S677-T713 PolarHBondContact OG-OG1 2.77Å; Q710-T713 PolarHBondContact O-N 3.2Å; T711-T713 PolarHBondContact O-N 3.14Å; T713-R715 VanDerWaalsContact C-N 3.31Å; T713-R715 PolarHBondContact O-N 3.26Å
714	F	49.4	Very low	56.3	Low	115.667 Å²	115.667	71.7 Å²	71.7	51%	0.507	35%	0.354	S	S	.	.			trans	-81.7	18.7	176.8	-64.6	-78.6	0	0	0	112.5	N504 Q712 K716	N504-F714 HydrophobicContact CB-CB 3.72Å; N504-F714 HydrophobicContact CB-CD1 4.48Å; N504-F714 HydrophobicContact CB-CG 4.09Å; N504-F714 VanDerWaalsContact ND2-CD1 3.31Å; N504-F714 WeakPolarHBondContact ND2-CD1 3.32Å; N504-F714 WeakPolarHBondContact ND2-CD2 3.47Å; N504-F714 WeakPolarHBondContact ND2-CE2 3.32Å; N504-F714 WeakPolarHBondContact ND2-CG 3.35Å; Q712-F714 HydrophobicContact CB-CE2 4.35Å; Q712-F714 PolarHBondContact O-N 2.89Å; Q712-F714 VanDerWaalsContact O-N 3.11Å; F714-K716 PolarHBondContact O-N 3.49Å; F714-K716 VanDerWaalsContact O-N 3.12Å
715	R	53.5	Low	57.1	Low	94.3333 Å²	94.3333	74 Å²	74	36%	0.356	36%	0.363	S	S	.	.			trans	-91.7	121.3	173.4	-82.9	-175.5	-175.7	147.7	3.9	109.7	N505 E539 Q674 G676 S677 T713	N505-R715 PolarHBondContact ND2-O 3.03Å; N505-R715 WeakPolarHBondContact OD1-CD 3.29Å; N505-R715 WeakPolarHBondContact OD1-CG 3.33Å; N505-R715 PolarHBondContact OD1-NE 2.74Å; E539-R715 IonicContact OE1-CZ 3.32Å; E539-R715 IonicContact OE1-NH1 3.17Å; E539-R715 PolarHBondContact OE1-NH1 2.77Å; E539-R715 IonicContact OE1-NH2 2.73Å; E539-R715 PolarHBondContact OE1-NH2 2.83Å; E539-R715 IonicContact OE2-CZ 2.75Å; E539-R715 IonicContact OE2-NH1 2.67Å; E539-R715 PolarHBondContact OE2-NH1 3.36Å; E539-R715 IonicContact OE2-NH2 2.56Å; Q674-R715 VanDerWaalsContact CD-NH1 3.29Å; Q674-R715 VanDerWaalsContact NE2-NH2 3.19Å; G676-R715 CarbonylContact C-O 3.53Å; G676-R715 VanDerWaalsContact CA-O 3.24Å; G676-R715 WeakPolarHBondContact CA-O 3.43Å; S677-R715 PolarHBondContact N-O 2.77Å; S677-R715 PolarHBondContact OG-O 2.74Å; T713-R715 VanDerWaalsContact C-N 3.31Å; T713-R715 PolarHBondContact O-N 3.26Å
716	K	57.2	Low	57.7	Low	91.3333 Å²	91.3333	74 Å²	74	40%	0.397	36%	0.36	S	S	.	.	S	Bend	trans	-89.7	-42.4	171.7	-66.8	-172.1	173.2	-159.3	0	112.1	N505 E539 N651 G676 S677 E678 F714 D718	N505-K716 WeakPolarHBondContact ND2-CA 3.38Å; N505-K716 WeakPolarHBondContact OD1-CA 3.42Å; N505-K716 WeakPolarHBondContact OD1-CB 3.19Å; E539-K716 IonicContact OE2-NZ 2.91Å; E539-K716 PolarHBondContact OE2-NZ 3.31Å; N651-K716 PolarHBondContact ND2-NZ 3.11Å; G676-K716 CarbonylContact C-O 3.23Å; G676-K716 WeakPolarHBondContact CA-O 3.45Å; G676-K716 WeakPolarHBondContact O-CB 3.39Å; G676-K716 WeakPolarHBondContact O-CD 3.03Å; S677-K716 PolarHBondContact N-O 2.65Å; E678-K716 HydrophobicContact CB-CB 4.29Å; E678-K716 WeakPolarHBondContact CB-O 3.28Å; E678-K716 HydrophobicContact CG-CB 4.13Å; E678-K716 HydrophobicContact CG-CG 4.19Å; E678-K716 PolarHBondContact N-O 3.1Å; E678-K716 WeakPolarHBondContact OE1-CD 3.22Å; E678-K716 WeakPolarHBondContact OE1-CE 3.34Å; E678-K716 IonicContact OE1-NZ 2.61Å; E678-K716 PolarHBondContact OE1-NZ 2.68Å; E678-K716 WeakPolarHBondContact OE2-CD 3.24Å; E678-K716 VanDerWaalsContact OE2-CG 3.31Å; E678-K716 WeakPolarHBondContact OE2-CG 3.28Å; E678-K716 IonicContact OE2-NZ 3.93Å; F714-K716 PolarHBondContact O-N 3.49Å; F714-K716 VanDerWaalsContact O-N 3.12Å; K716-D718 PolarHBondContact O-N 3.04Å
717	Y	60.3	Low	58.1	Low	119 Å²	119	71.1 Å²	71.1	47%	0.467	34%	0.343	S	S	.	.	S	Bend	trans	-100.3	142.6	-179.2	-67.8	-75.9	0	0	0	111	L470 N505 G676 T679 N734	L470-Y717 HydrophobicContact CD1-CD2 3.97Å; L470-Y717 HydrophobicContact CD1-CE1 4.14Å; L470-Y717 HydrophobicContact CD1-CE2 3.21Å; L470-Y717 WeakPolarHBondContact CD1-OH 2.99Å; N505-Y717 HydrophobicContact CB-CD2 3.76Å; N505-Y717 PolarHBondContact ND2-N 3.16Å; N505-Y717 PolarHBondContact OD1-N 3.36Å; G676-Y717 PolarHBondContact N-O 2.9Å; T679-Y717 VanDerWaalsContact CG2-C 3.5Å; Y717-N734 WeakPolarHBondContact CD1-ND2 3.43Å; Y717-N734 HydrophobicContact CG-CB 4.45Å
718	D	67.1	Low	58.6	Low	1.66667 Å²	1.66667	72.2 Å²	72.2	1%	0.009	35%	0.347	C	S	.	.			trans	-95.2	132.8	171.3	23.8	9.8	0	0	0	110.6	Y673 Q674 G676 T679 K716 S733 N734 I735 S736	Y673-D718 HydrophobicContact CE2-CB 4.27Å; Q674-D718 CarbonylContact O-C 3.56Å; Q674-D718 VanDerWaalsContact O-CA 3.28Å; Q674-D718 WeakPolarHBondContact O-CA 3.41Å; Q674-D718 VanDerWaalsContact O-CB 3.31Å; Q674-D718 WeakPolarHBondContact O-CB 3.3Å; G676-D718 VanDerWaalsContact CA-CG 3.43Å; G676-D718 WeakPolarHBondContact CA-OD1 3.37Å; G676-D718 PolarHBondContact N-OD1 2.69Å; G676-D718 VanDerWaalsContact N-OD1 3.12Å; G676-D718 PolarHBondContact N-OD2 3.36Å; T679-D718 HydrophobicContact CG2-CB 3.75Å; K716-D718 PolarHBondContact O-N 3.04Å; D718-S733 CarbonylContact O-C 3.45Å; D718-S733 WeakPolarHBondContact O-CA 3.44Å; D718-N734 VanDerWaalsContact O-CA 3.23Å; D718-N734 WeakPolarHBondContact O-CA 3.43Å; D718-N734 PolarHBondContact O-N 2.94Å; D718-N734 VanDerWaalsContact O-N 3.15Å; D718-N734 PolarHBondContact OD1-OD1 2.98Å; D718-I735 HydrophobicContact CB-CG2 4.19Å; D718-I735 VanDerWaalsContact CG-CG2 3.42Å; D718-I735 PolarHBondContact O-N 2.9Å; D718-I735 PolarHBondContact OD1-N 3.25Å; D718-I735 WeakPolarHBondContact OD2-CG2 3.38Å; D718-S736 VanDerWaalsContact CG-CB 3.49Å; D718-S736 VanDerWaalsContact CG-N 3.33Å; D718-S736 VanDerWaalsContact OD1-CB 3.23Å; D718-S736 WeakPolarHBondContact OD1-CB 3.23Å; D718-S736 PolarHBondContact OD1-N 2.85Å; D718-S736 PolarHBondContact OD1-OG 3.1Å; D718-S736 WeakPolarHBondContact OD2-CA 3.42Å; D718-S736 VanDerWaalsContact OD2-CB 3.32Å; D718-S736 WeakPolarHBondContact OD2-CB 3.32Å; D718-S736 PolarHBondContact OD2-N 3Å; D718-S736 PolarHBondContact OD2-OG 2.89Å
719	S	68.7	Low	58.9	Low	19.6667 Å²	19.6667	69.6 Å²	69.6	14%	0.138	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.6	174.7	70.1	0	0	0	0	110.5	Y673 Q674 S732	Y673-S719 WeakPolarHBondContact CA-O 3.3Å; Q674-S719 PolarHBondContact N-O 2.83Å; Q674-S719 PolarHBondContact O-N 3.16Å; Q674-S719 PolarHBondContact OE1-OG 3Å; Q674-S719 VanDerWaalsContact OE1-OG 3.08Å; S719-S732 CarbonylContact C-O 3.53Å; S719-S732 VanDerWaalsContact CA-O 3.23Å; S719-S732 WeakPolarHBondContact CA-O 3.32Å
720	I	73.7	Confident	59.3	Low	35 Å²	35	65.6 Å²	65.6	18%	0.179	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.6	166.8	-169.3	169.8	0	0	0	108.9	V672 Y673 I722 F730 H731 S732 I735	V672-I720 CarbonylContact O-C 3.49Å; V672-I720 WeakPolarHBondContact O-CA 3.34Å; Y673-I720 HydrophobicContact CD2-CB 4.23Å; Y673-I720 HydrophobicContact CD2-CD1 4.42Å; Y673-I720 HydrophobicContact CD2-CG1 4.39Å; I720-I722 HydrophobicContact CD1-CD1 4.44Å; I720-I722 HydrophobicContact CG1-CG1 4.29Å; I720-F730 HydrophobicContact CG2-CD1 3.96Å; I720-F730 HydrophobicContact CG2-CE1 3.43Å; I720-F730 VanDerWaalsContact CG2-CE1 3.49Å; I720-F730 HydrophobicContact CG2-CZ 4.43Å; I720-H731 WeakPolarHBondContact O-CA 3.38Å; I720-S732 PolarHBondContact N-O 3.28Å; I720-S732 PolarHBondContact O-N 3.05Å; I720-I735 HydrophobicContact CB-CD1 3.53Å; I720-I735 HydrophobicContact CB-CG2 4.38Å; I720-I735 HydrophobicContact CG2-CB 3.92Å; I720-I735 HydrophobicContact CG2-CD1 3.85Å; I720-I735 HydrophobicContact CG2-CG1 4.16Å; I720-I735 HydrophobicContact CG2-CG2 4.11Å
721	F	69.2	Low	59.9	Low	37 Å²	37	66 Å²	66	16%	0.162	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.4	-174.6	-176.7	-102.1	0	0	0	109.3	V671 V672 K723 I728 H731	V671-F721 CarbonylContact C-O 3.58Å; V671-F721 VanDerWaalsContact CA-O 3.31Å; V671-F721 WeakPolarHBondContact CA-O 3.23Å; V672-F721 HydrophobicContact CB-CB 4.31Å; V672-F721 PolarHBondContact N-O 2.84Å; V672-F721 PolarHBondContact O-N 3.17Å; F721-K723 HydrophobicContact CD1-CD 4.42Å; F721-K723 HydrophobicContact CD1-CG 4.29Å; F721-K723 HydrophobicContact CE1-CB 3.82Å; F721-K723 HydrophobicContact CE1-CD 3.43Å; F721-K723 VanDerWaalsContact CE1-CD 3.46Å; F721-K723 HydrophobicContact CE1-CG 3.44Å; F721-K723 VanDerWaalsContact CE1-CG 3.49Å; F721-K723 HydrophobicContact CZ-CB 4.44Å; F721-K723 HydrophobicContact CZ-CD 3.83Å; F721-K723 HydrophobicContact CZ-CG 3.77Å; F721-I728 HydrophobicContact CD2-CG2 4.33Å; F721-I728 HydrophobicContact CE1-CG1 4.43Å; F721-I728 HydrophobicContact CE2-CB 4.35Å; F721-I728 HydrophobicContact CE2-CD1 3.55Å; F721-I728 VanDerWaalsContact CE2-CD1 3.48Å; F721-I728 HydrophobicContact CE2-CG1 3.6Å; F721-I728 HydrophobicContact CE2-CG2 3.85Å; F721-I728 HydrophobicContact CZ-CB 4.43Å; F721-I728 HydrophobicContact CZ-CD1 3.71Å; F721-I728 HydrophobicContact CZ-CG1 3.53Å; F721-I728 VanDerWaalsContact CZ-CG1 3.48Å; F721-I728 HydrophobicContact CZ-CG2 4.37Å; F721-H731 HydrophobicContact CD2-CB 4.19Å; F721-H731 AromaticContact CD2-CD2 3.78Å
722	I	70.2	Confident	60.8	Low	39.3333 Å²	39.3333	62 Å²	62	20%	0.202	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111.8	-179.1	-50.5	-178.5	0	0	0	108.4	F669 N670 V671 I720 V729 F730	F669-I722 HydrophobicContact CD2-CG2 4.34Å; F669-I722 HydrophobicContact CE2-CG2 3.71Å; F669-I722 HydrophobicContact CZ-CG2 4.19Å; N670-I722 CarbonylContact O-C 3.4Å; N670-I722 WeakPolarHBondContact O-CA 3.41Å; V671-I722 HydrophobicContact CG1-CG1 4.4Å; V671-I722 HydrophobicContact CG2-CB 4.24Å; V671-I722 HydrophobicContact CG2-CG1 4.21Å; V671-I722 HydrophobicContact CG2-CG2 4.12Å; I720-I722 HydrophobicContact CD1-CD1 4.44Å; I720-I722 HydrophobicContact CG1-CG1 4.29Å; I722-V729 PolarHBondContact O-N 3.25Å; I722-F730 HydrophobicContact CB-CB 4.1Å; I722-F730 HydrophobicContact CD1-CB 4.19Å; I722-F730 HydrophobicContact CD1-CD1 3.97Å; I722-F730 HydrophobicContact CD1-CG 4.44Å; I722-F730 HydrophobicContact CG1-CB 4.27Å; I722-F730 HydrophobicContact CG1-CD1 4.23Å; I722-F730 PolarHBondContact N-O 3.09Å; I722-F730 PolarHBondContact O-N 3.05Å
723	K	68.1	Low	61.6	Low	47 Å²	47	57.8 Å²	57.8	20%	0.204	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.2	168.8	-84.9	176.3	178.4	168.3	0	110	F669 N670 F721 K727 I728	F669-K723 CarbonylContact C-O 3.54Å; F669-K723 WeakPolarHBondContact CA-O 3.28Å; N670-K723 HydrophobicContact CB-CB 4.08Å; N670-K723 PolarHBondContact N-O 2.97Å; N670-K723 PolarHBondContact O-N 2.83Å; F721-K723 HydrophobicContact CD1-CD 4.42Å; F721-K723 HydrophobicContact CD1-CG 4.29Å; F721-K723 HydrophobicContact CE1-CB 3.82Å; F721-K723 HydrophobicContact CE1-CD 3.43Å; F721-K723 VanDerWaalsContact CE1-CD 3.46Å; F721-K723 HydrophobicContact CE1-CG 3.44Å; F721-K723 VanDerWaalsContact CE1-CG 3.49Å; F721-K723 HydrophobicContact CZ-CB 4.44Å; F721-K723 HydrophobicContact CZ-CD 3.83Å; F721-K723 HydrophobicContact CZ-CG 3.77Å; K723-K727 CarbonylContact C-O 3.53Å; K723-K727 VanDerWaalsContact CA-O 3.22Å; K723-K727 WeakPolarHBondContact CA-O 3.39Å; K723-I728 HydrophobicContact CD-CG1 4.44Å; K723-I728 HydrophobicContact CG-CG1 4.02Å
724	W	63.6	Low	62.5	Low	50 Å²	50	56.9 Å²	56.9	19%	0.189	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.3	170.8	-141.3	58.9	0	0	0	109.3	V668 F669 D726 K727 V729 K760 L762 W763 V783 F812 T814	V668-W724 CarbonylContact O-C 3.56Å; V668-W724 VanDerWaalsContact O-CA 3.31Å; V668-W724 WeakPolarHBondContact O-CA 3.39Å; F669-W724 AromaticContact CD2-CD1 3.78Å; F669-W724 HydrophobicContact CD2-CD2 4.28Å; F669-W724 AromaticContact CD2-CE2 3.73Å; F669-W724 HydrophobicContact CD2-CG 4.27Å; F669-W724 HydrophobicContact CD2-CZ2 4.24Å; F669-W724 AromaticContact CD2-NE1 3.39Å; F669-W724 AromaticContact CE2-CD1 3.93Å; F669-W724 AromaticContact CE2-CE2 3.76Å; F669-W724 HydrophobicContact CE2-CZ2 4.1Å; F669-W724 AromaticContact CE2-NE1 3.23Å; W724-D726 VanDerWaalsContact C-N 3.29Å; W724-D726 PolarHBondContact O-N 2.85Å; W724-K727 PolarHBondContact N-O 2.91Å; W724-K727 WeakPolarHBondContact O-CA 3.44Å; W724-K727 WeakPolarHBondContact O-CB 3.41Å; W724-K727 PolarHBondContact O-N 2.77Å; W724-V729 HydrophobicContact CB-CG2 3.61Å; W724-V729 HydrophobicContact CE3-CG2 4.2Å; W724-V729 HydrophobicContact CG-CG2 3.84Å; W724-K760 HydrophobicContact CZ3-CD 4.31Å; W724-L762 HydrophobicContact CB-CD2 4.34Å; W724-L762 HydrophobicContact CE3-CD1 3.69Å; W724-L762 HydrophobicContact CE3-CD2 4.01Å; W724-L762 HydrophobicContact CH2-CB 4.48Å; W724-L762 HydrophobicContact CH2-CD1 3.1Å; W724-L762 HydrophobicContact CH2-CD2 2.95Å; W724-L762 HydrophobicContact CH2-CG 3.55Å; W724-L762 HydrophobicContact CZ2-CD1 3.31Å; W724-L762 HydrophobicContact CZ2-CD2 3.89Å; W724-L762 HydrophobicContact CZ2-CG 4.12Å; W724-L762 HydrophobicContact CZ3-CD1 4.15Å; W724-L762 HydrophobicContact CZ3-CD2 2.99Å; W724-L762 HydrophobicContact CZ3-CG 4.09Å; W724-W763 HydrophobicContact CD2-CE3 4.45Å; W724-W763 HydrophobicContact CD2-CZ3 4.46Å; W724-W763 HydrophobicContact CE3-CD2 4.47Å; W724-W763 AromaticContact CE3-CE3 3.16Å; W724-W763 HydrophobicContact CE3-CE3 3.16Å; W724-W763 HydrophobicContact CE3-CH2 4.34Å; W724-W763 AromaticContact CE3-CZ3 3.1Å; W724-W763 HydrophobicContact CE3-CZ3 3.1Å; W724-W763 HydrophobicContact CH2-CE3 4.47Å; W724-W763 HydrophobicContact CH2-CZ3 4.38Å; W724-W763 HydrophobicContact CZ3-CD2 4.27Å; W724-W763 AromaticContact CZ3-CE3 3.17Å; W724-W763 HydrophobicContact CZ3-CE3 3.17Å; W724-W763 AromaticContact CZ3-CH2 3.99Å; W724-W763 HydrophobicContact CZ3-CH2 3.99Å; W724-W763 AromaticContact CZ3-CZ3 3.04Å; W724-W763 HydrophobicContact CZ3-CZ3 3.04Å; W724-V783 HydrophobicContact CH2-CG2 4.08Å; W724-V783 HydrophobicContact CZ2-CG2 4.39Å; W724-V783 HydrophobicContact CZ3-CG2 4.19Å; W724-F812 AromaticContact CE3-CE1 3.87Å; W724-F812 HydrophobicContact CE3-CE1 3.87Å; W724-F812 HydrophobicContact CE3-CZ 4.32Å; W724-F812 HydrophobicContact CH2-CD1 4.41Å; W724-F812 AromaticContact CH2-CE1 3.42Å; W724-F812 HydrophobicContact CH2-CE1 3.42Å; W724-F812 VanDerWaalsContact CH2-CE1 3.42Å; W724-F812 AromaticContact CH2-CE2 3.88Å; W724-F812 HydrophobicContact CH2-CE2 3.88Å; W724-F812 AromaticContact CH2-CZ 3.09Å; W724-F812 HydrophobicContact CH2-CZ 3.09Å; W724-F812 HydrophobicContact CZ2-CE1 4.35Å; W724-F812 AromaticContact CZ2-CZ 3.83Å; W724-F812 HydrophobicContact CZ2-CZ 3.83Å; W724-F812 AromaticContact CZ3-CD1 3.94Å; W724-F812 HydrophobicContact CZ3-CD1 3.94Å; W724-F812 AromaticContact CZ3-CE1 3.11Å; W724-F812 HydrophobicContact CZ3-CE1 3.11Å; W724-F812 HydrophobicContact CZ3-CE2 4.37Å; W724-F812 AromaticContact CZ3-CZ 3.39Å; W724-F812 HydrophobicContact CZ3-CZ 3.39Å; W724-T814 HydrophobicContact CZ2-CG2 4.45Å
725	F	65.1	Low	63.1	Low	61 Å²	61	52.5 Å²	52.5	27%	0.268	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	49.5	-172.4	-65.8	-75.4	0	0	0	112.7	N667 V668 K727 L762	N667-F725 CarbonylContact O-C 3.56Å; N667-F725 VanDerWaalsContact O-CA 3.24Å; N667-F725 WeakPolarHBondContact O-CA 3.45Å; N667-F725 WeakPolarHBondContact O-CD1 3.41Å; N667-F725 PolarHBondContact O-N 2.71Å; V668-F725 HydrophobicContact CB-CE1 4.29Å; V668-F725 HydrophobicContact CB-CZ 4.39Å; V668-F725 HydrophobicContact CG1-CE1 4.15Å; V668-F725 HydrophobicContact CG1-CE2 4.29Å; V668-F725 HydrophobicContact CG1-CZ 3.89Å; V668-F725 HydrophobicContact CG2-CE1 4.08Å; V668-F725 HydrophobicContact CG2-CZ 4.36Å; V668-F725 PolarHBondContact O-N 2.96Å; F725-K727 PolarHBondContact O-N 2.92Å; F725-L762 HydrophobicContact CD2-CB 4.28Å
726	D	64.5	Low	63.5	Low	85.3333 Å²	85.3333	48.5 Å²	48.5	46%	0.456	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	4.2	-176.5	-61.5	-54.9	0	0	0	115.8	N667 W724	N667-D726 VanDerWaalsContact CB-OD1 3.28Å; N667-D726 WeakPolarHBondContact CB-OD1 3.21Å; N667-D726 PolarHBondContact N-OD2 2.86Å; N667-D726 PolarHBondContact ND2-OD1 3.11Å; N667-D726 PolarHBondContact O-N 3.12Å; W724-D726 VanDerWaalsContact C-N 3.29Å; W724-D726 PolarHBondContact O-N 2.85Å
727	K	59.5	Low	63.7	Low	43 Å²	43	50 Å²	50	19%	0.187	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133	174.8	-66.5	-176.3	168	-168.6	0	111	Q371 I402 K723 W724 F725 V729 K760 H761 W763	Q371-K727 VanDerWaalsContact OE1-NZ 3.09Å; I402-K727 HydrophobicContact CG2-CD 3.89Å; I402-K727 WeakPolarHBondContact O-CE 3.29Å; I402-K727 PolarHBondContact O-NZ 3.04Å; K723-K727 CarbonylContact C-O 3.53Å; K723-K727 VanDerWaalsContact CA-O 3.22Å; K723-K727 WeakPolarHBondContact CA-O 3.39Å; W724-K727 PolarHBondContact N-O 2.91Å; W724-K727 WeakPolarHBondContact O-CA 3.44Å; W724-K727 WeakPolarHBondContact O-CB 3.41Å; W724-K727 PolarHBondContact O-N 2.77Å; F725-K727 PolarHBondContact O-N 2.92Å; K727-V729 PolarHBondContact O-N 3.02Å; K727-K760 HydrophobicContact CD-CD 4.24Å; K727-H761 PolarHBondContact NZ-O 3.33Å; K727-W763 HydrophobicContact CD-CH2 4.17Å; K727-W763 HydrophobicContact CD-CZ3 4.4Å
728	I	60.3	Low	63.5	Low	40.3333 Å²	40.3333	48.4 Å²	48.4	21%	0.207	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	117.8	171.4	-54.7	169.2	0	0	0	107.9	F721 K723 H731	F721-I728 HydrophobicContact CD2-CG2 4.33Å; F721-I728 HydrophobicContact CE1-CG1 4.43Å; F721-I728 HydrophobicContact CE2-CB 4.35Å; F721-I728 HydrophobicContact CE2-CD1 3.55Å; F721-I728 VanDerWaalsContact CE2-CD1 3.48Å; F721-I728 HydrophobicContact CE2-CG1 3.6Å; F721-I728 HydrophobicContact CE2-CG2 3.85Å; F721-I728 HydrophobicContact CZ-CB 4.43Å; F721-I728 HydrophobicContact CZ-CD1 3.71Å; F721-I728 HydrophobicContact CZ-CG1 3.53Å; F721-I728 VanDerWaalsContact CZ-CG1 3.48Å; F721-I728 HydrophobicContact CZ-CG2 4.37Å; K723-I728 HydrophobicContact CD-CG1 4.44Å; K723-I728 HydrophobicContact CG-CG1 4.02Å; I728-H731 HydrophobicContact CG2-CB 4.12Å
729	V	55.1	Low	62.9	Low	40 Å²	40	50.8 Å²	50.8	24%	0.242	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-31.5	175.9	-178.1	0	0	0	0	110.4	I722 W724 K727 L762	I722-V729 PolarHBondContact O-N 3.25Å; W724-V729 HydrophobicContact CB-CG2 3.61Å; W724-V729 HydrophobicContact CE3-CG2 4.2Å; W724-V729 HydrophobicContact CG-CG2 3.84Å; K727-V729 PolarHBondContact O-N 3.02Å; V729-L762 HydrophobicContact CG1-CB 3.79Å; V729-L762 HydrophobicContact CG2-CD2 4.38Å
730	F	58.1	Low	62.1	Low	56.3333 Å²	56.3333	53.5 Å²	53.5	25%	0.247	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	133.6	178.7	-175.6	-107.7	0	0	0	110.3	I720 I722 I735 L756	I720-F730 HydrophobicContact CG2-CD1 3.96Å; I720-F730 HydrophobicContact CG2-CE1 3.43Å; I720-F730 VanDerWaalsContact CG2-CE1 3.49Å; I720-F730 HydrophobicContact CG2-CZ 4.43Å; I722-F730 HydrophobicContact CB-CB 4.1Å; I722-F730 HydrophobicContact CD1-CB 4.19Å; I722-F730 HydrophobicContact CD1-CD1 3.97Å; I722-F730 HydrophobicContact CD1-CG 4.44Å; I722-F730 HydrophobicContact CG1-CB 4.27Å; I722-F730 HydrophobicContact CG1-CD1 4.23Å; I722-F730 PolarHBondContact N-O 3.09Å; I722-F730 PolarHBondContact O-N 3.05Å; F730-I735 HydrophobicContact CE1-CD1 4.08Å; F730-I735 HydrophobicContact CZ-CD1 3.86Å; F730-L756 HydrophobicContact CD2-CD2 3.97Å; F730-L756 HydrophobicContact CE2-CD1 4.28Å; F730-L756 HydrophobicContact CE2-CD2 4Å
731	H	59.3	Low	61.1	Low	91.3333 Å²	91.3333	54.4 Å²	54.4	42%	0.423	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	129.5	170.2	173.1	-114	0	0	0	107.8	I720 F721 I728	I720-H731 WeakPolarHBondContact O-CA 3.38Å; F721-H731 HydrophobicContact CD2-CB 4.19Å; F721-H731 AromaticContact CD2-CD2 3.78Å; I728-H731 HydrophobicContact CG2-CB 4.12Å
732	S	63.2	Low	59.9	Low	10.3333 Å²	10.3333	56.5 Å²	56.5	7%	0.072	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.7	169.6	-176.6	0	0	0	0	108.5	S719 I720 I735 Q738	S719-S732 CarbonylContact C-O 3.53Å; S719-S732 VanDerWaalsContact CA-O 3.23Å; S719-S732 WeakPolarHBondContact CA-O 3.32Å; I720-S732 PolarHBondContact N-O 3.28Å; I720-S732 PolarHBondContact O-N 3.05Å; S732-I735 PolarHBondContact OG-N 2.94Å; S732-Q738 PolarHBondContact OG-OE1 3.1Å
733	S	61.9	Low	58.8	Low	72 Å²	72	57.3 Å²	57.3	50%	0.503	28%	0.276	S	S	.	.	S	Bend	trans	-96.1	17.5	177.4	53.5	0	0	0	0	112.3	D718	D718-S733 CarbonylContact O-C 3.45Å; D718-S733 WeakPolarHBondContact O-CA 3.44Å
734	N	64.4	Low	57.7	Low	44.6667 Å²	44.6667	58.1 Å²	58.1	24%	0.239	29%	0.287	C	S	.	.			trans	178.5	54.5	178.2	-134.7	-14	0	0	0	111.3	Y717 D718 S736 Y737 Q738	Y717-N734 WeakPolarHBondContact CD1-ND2 3.43Å; Y717-N734 HydrophobicContact CG-CB 4.45Å; D718-N734 VanDerWaalsContact O-CA 3.23Å; D718-N734 WeakPolarHBondContact O-CA 3.43Å; D718-N734 PolarHBondContact O-N 2.94Å; D718-N734 VanDerWaalsContact O-N 3.15Å; D718-N734 PolarHBondContact OD1-OD1 2.98Å; N734-S736 VanDerWaalsContact C-N 3.26Å; N734-S736 PolarHBondContact O-N 3.16Å; N734-S736 PolarHBondContact OD1-OG 2.78Å; N734-Y737 VanDerWaalsContact ND2-CB 3.34Å; N734-Y737 WeakPolarHBondContact ND2-CB 3.41Å; N734-Y737 PolarHBondContact O-N 3.14Å; N734-Y737 VanDerWaalsContact O-N 3.11Å; N734-Y737 WeakPolarHBondContact OD1-CB 3.2Å; N734-Y737 PolarHBondContact OD1-N 2.97Å; N734-Y737 VanDerWaalsContact OD1-N 3.16Å; N734-Q738 PolarHBondContact O-N 3.08Å; N734-Q738 VanDerWaalsContact O-N 3.09Å
735	I	62.6	Low	56.6	Low	23.6667 Å²	23.6667	59.9 Å²	59.9	12%	0.121	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-36.8	-179.1	-141	102.8	0	0	0	110.7	Y673 D718 I720 F730 S732 Y737 Q738 L739	Y673-I735 HydrophobicContact CE2-CG2 4.22Å; D718-I735 HydrophobicContact CB-CG2 4.19Å; D718-I735 VanDerWaalsContact CG-CG2 3.42Å; D718-I735 PolarHBondContact O-N 2.9Å; D718-I735 PolarHBondContact OD1-N 3.25Å; D718-I735 WeakPolarHBondContact OD2-CG2 3.38Å; I720-I735 HydrophobicContact CB-CD1 3.53Å; I720-I735 HydrophobicContact CB-CG2 4.38Å; I720-I735 HydrophobicContact CG2-CB 3.92Å; I720-I735 HydrophobicContact CG2-CD1 3.85Å; I720-I735 HydrophobicContact CG2-CG1 4.16Å; I720-I735 HydrophobicContact CG2-CG2 4.11Å; F730-I735 HydrophobicContact CE1-CD1 4.08Å; F730-I735 HydrophobicContact CZ-CD1 3.86Å; S732-I735 PolarHBondContact OG-N 2.94Å; I735-Y737 VanDerWaalsContact C-N 3.31Å; I735-Y737 PolarHBondContact O-N 3.11Å; I735-Q738 PolarHBondContact O-N 2.92Å; I735-L739 HydrophobicContact CG1-CD1 4.01Å; I735-L739 HydrophobicContact CG1-CG 4.27Å; I735-L739 HydrophobicContact CG2-CD1 3.77Å; I735-L739 HydrophobicContact CG2-CG 4.33Å; I735-L739 WeakPolarHBondContact O-CB 3.47Å; I735-L739 WeakPolarHBondContact O-CD1 3.38Å; I735-L739 VanDerWaalsContact O-CG 3.28Å; I735-L739 WeakPolarHBondContact O-CG 3.36Å; I735-L739 PolarHBondContact O-N 2.82Å
736	S	62.1	Low	55.5	Low	11 Å²	11	61.8 Å²	61.8	8%	0.077	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-38.6	175.5	58.6	0	0	0	0	112.7	T679 D718 N734 L739 Q740	T679-S736 WeakPolarHBondContact CB-OG 3.34Å; T679-S736 VanDerWaalsContact CG2-OG 3.28Å; T679-S736 WeakPolarHBondContact CG2-OG 3.07Å; D718-S736 VanDerWaalsContact CG-CB 3.49Å; D718-S736 VanDerWaalsContact CG-N 3.33Å; D718-S736 VanDerWaalsContact OD1-CB 3.23Å; D718-S736 WeakPolarHBondContact OD1-CB 3.23Å; D718-S736 PolarHBondContact OD1-N 2.85Å; D718-S736 PolarHBondContact OD1-OG 3.1Å; D718-S736 WeakPolarHBondContact OD2-CA 3.42Å; D718-S736 VanDerWaalsContact OD2-CB 3.32Å; D718-S736 WeakPolarHBondContact OD2-CB 3.32Å; D718-S736 PolarHBondContact OD2-N 3Å; D718-S736 PolarHBondContact OD2-OG 2.89Å; N734-S736 VanDerWaalsContact C-N 3.26Å; N734-S736 PolarHBondContact O-N 3.16Å; N734-S736 PolarHBondContact OD1-OG 2.78Å; S736-L739 CarbonylContact O-C 3.54Å; S736-L739 WeakPolarHBondContact O-CB 3Å; S736-L739 PolarHBondContact O-N 2.82Å; S736-Q740 WeakPolarHBondContact O-CA 3.42Å; S736-Q740 WeakPolarHBondContact O-CB 3.34Å; S736-Q740 PolarHBondContact O-N 3.2Å
737	Y	61.2	Low	54.2	Low	122.333 Å²	122.333	66.3 Å²	66.3	48%	0.48	34%	0.336	S	S	.	.	H	α-helix	trans	-70.8	-38.3	175.8	-180	-105.6	0	0	0	112	N734 I735 L739 Q740 N741	N734-Y737 VanDerWaalsContact ND2-CB 3.34Å; N734-Y737 WeakPolarHBondContact ND2-CB 3.41Å; N734-Y737 PolarHBondContact O-N 3.14Å; N734-Y737 VanDerWaalsContact O-N 3.11Å; N734-Y737 WeakPolarHBondContact OD1-CB 3.2Å; N734-Y737 PolarHBondContact OD1-N 2.97Å; N734-Y737 VanDerWaalsContact OD1-N 3.16Å; I735-Y737 VanDerWaalsContact C-N 3.31Å; I735-Y737 PolarHBondContact O-N 3.11Å; Y737-L739 VanDerWaalsContact C-N 3.35Å; Y737-Q740 PolarHBondContact O-N 3.1Å; Y737-N741 WeakPolarHBondContact CE1-ND2 3.48Å; Y737-N741 WeakPolarHBondContact CE2-OD1 3.27Å; Y737-N741 VanDerWaalsContact O-CB 3.31Å; Y737-N741 WeakPolarHBondContact O-CB 3.28Å; Y737-N741 PolarHBondContact O-N 3.29Å; Y737-N741 PolarHBondContact OH-ND2 2.97Å; Y737-N741 VanDerWaalsContact OH-ND2 3.1Å; Y737-N741 PolarHBondContact OH-OD1 3.06Å
738	Q	56.3	Low	53.3	Low	84.6667 Å²	84.6667	68.4 Å²	68.4	40%	0.396	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-48.7	172.4	-70.4	-179.6	-17.2	0	0	110.3	S732 N734 I735 Q740 N741 W742	S732-Q738 PolarHBondContact OG-OE1 3.1Å; N734-Q738 PolarHBondContact O-N 3.08Å; N734-Q738 VanDerWaalsContact O-N 3.09Å; I735-Q738 PolarHBondContact O-N 2.92Å; Q738-Q740 PolarHBondContact O-N 3.15Å; Q738-N741 PolarHBondContact O-N 2.97Å; Q738-W742 HydrophobicContact CB-CZ2 4.05Å; Q738-W742 PolarHBondContact O-N 3.16Å; Q738-W742 PolarHBondContact O-NE1 2.73Å
739	L	53.5	Low	52.2	Low	52 Å²	52	73.7 Å²	73.7	27%	0.272	37%	0.374	S	S	.	.	H	α-helix	trans	-57.1	-47.1	172.5	-75.7	161.7	0	0	0	111.6	I735 S736 Y737 N741 W742 F743	I735-L739 HydrophobicContact CG1-CD1 4.01Å; I735-L739 HydrophobicContact CG1-CG 4.27Å; I735-L739 HydrophobicContact CG2-CD1 3.77Å; I735-L739 HydrophobicContact CG2-CG 4.33Å; I735-L739 WeakPolarHBondContact O-CB 3.47Å; I735-L739 WeakPolarHBondContact O-CD1 3.38Å; I735-L739 VanDerWaalsContact O-CG 3.28Å; I735-L739 WeakPolarHBondContact O-CG 3.36Å; I735-L739 PolarHBondContact O-N 2.82Å; S736-L739 CarbonylContact O-C 3.54Å; S736-L739 WeakPolarHBondContact O-CB 3Å; S736-L739 PolarHBondContact O-N 2.82Å; Y737-L739 VanDerWaalsContact C-N 3.35Å; L739-N741 PolarHBondContact O-N 3.26Å; L739-W742 HydrophobicContact CB-CE3 4.31Å; L739-W742 HydrophobicContact CB-CZ3 4.35Å; L739-W742 HydrophobicContact CD2-CD2 4.48Å; L739-W742 HydrophobicContact CD2-CE3 3.49Å; L739-W742 VanDerWaalsContact CD2-CE3 3.46Å; L739-W742 HydrophobicContact CD2-CH2 4.09Å; L739-W742 HydrophobicContact CD2-CZ3 3.34Å; L739-W742 HydrophobicContact CG-CE3 3.98Å; L739-W742 HydrophobicContact CG-CH2 4.27Å; L739-W742 HydrophobicContact CG-CZ3 3.75Å; L739-W742 CarbonylContact O-C 3.05Å; L739-W742 VanDerWaalsContact O-CA 3.3Å; L739-W742 WeakPolarHBondContact O-CA 3.43Å; L739-W742 VanDerWaalsContact O-CB 3.28Å; L739-W742 WeakPolarHBondContact O-CB 3.23Å; L739-W742 PolarHBondContact O-N 2.93Å; L739-F743 HydrophobicContact CB-CE2 4.3Å; L739-F743 HydrophobicContact CD2-CE2 4.3Å; L739-F743 WeakPolarHBondContact O-CD2 3.25Å; L739-F743 WeakPolarHBondContact O-CE2 3.37Å; L739-F743 PolarHBondContact O-N 3.09Å; L739-F743 VanDerWaalsContact O-N 3.15Å
740	Q	52.6	Low	51.5	Low	78 Å²	78	80.1 Å²	80.1	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-64.1	-42.7	-179.2	-175.9	177.5	5.3	0	0	111.5	F680 S736 Y737 Q738 W742 F743 S744	F680-Q740 HydrophobicContact CB-CB 3.75Å; F680-Q740 HydrophobicContact CB-CG 4.12Å; F680-Q740 HydrophobicContact CD1-CB 4.26Å; F680-Q740 HydrophobicContact CD2-CB 4.08Å; F680-Q740 HydrophobicContact CD2-CG 3.78Å; F680-Q740 HydrophobicContact CE2-CG 4.38Å; F680-Q740 HydrophobicContact CG-CB 4.07Å; F680-Q740 HydrophobicContact CG-CG 4.22Å; S736-Q740 WeakPolarHBondContact O-CA 3.42Å; S736-Q740 WeakPolarHBondContact O-CB 3.34Å; S736-Q740 PolarHBondContact O-N 3.2Å; Y737-Q740 PolarHBondContact O-N 3.1Å; Q738-Q740 PolarHBondContact O-N 3.15Å; Q740-W742 VanDerWaalsContact C-N 3.31Å; Q740-W742 PolarHBondContact O-N 3.11Å; Q740-F743 CarbonylContact O-C 3.49Å; Q740-F743 WeakPolarHBondContact O-CA 3.31Å; Q740-F743 WeakPolarHBondContact O-CB 3.44Å; Q740-F743 PolarHBondContact O-N 3.01Å; Q740-S744 VanDerWaalsContact O-CB 3.27Å; Q740-S744 WeakPolarHBondContact O-CB 3.29Å; Q740-S744 PolarHBondContact O-N 2.95Å; Q740-S744 VanDerWaalsContact O-N 3.09Å; Q740-S744 PolarHBondContact O-OG 2.88Å
741	N	52	Low	50.9	Low	54 Å²	54	80.5 Å²	80.5	29%	0.289	40%	0.404	S	S	.	.	H	α-helix	trans	-63.2	-32.6	173.5	-81.8	-2.8	0	0	0	111.6	Y737 Q738 L739 F743 S744 T745	Y737-N741 WeakPolarHBondContact CE1-ND2 3.48Å; Y737-N741 WeakPolarHBondContact CE2-OD1 3.27Å; Y737-N741 VanDerWaalsContact O-CB 3.31Å; Y737-N741 WeakPolarHBondContact O-CB 3.28Å; Y737-N741 PolarHBondContact O-N 3.29Å; Y737-N741 PolarHBondContact OH-ND2 2.97Å; Y737-N741 VanDerWaalsContact OH-ND2 3.1Å; Y737-N741 PolarHBondContact OH-OD1 3.06Å; Q738-N741 PolarHBondContact O-N 2.97Å; L739-N741 PolarHBondContact O-N 3.26Å; N741-F743 VanDerWaalsContact C-N 3.32Å; N741-F743 PolarHBondContact O-N 3.07Å; N741-S744 WeakPolarHBondContact CA-OG 2.92Å; N741-T745 WeakPolarHBondContact O-CG2 3.41Å; N741-T745 PolarHBondContact O-N 2.82Å; N741-T745 PolarHBondContact O-OG1 3.01Å
742	W	45.3	Very low	50.5	Low	79.3333 Å²	79.3333	82.4 Å²	82.4	30%	0.301	41%	0.413	S	S	.	.	H	α-helix	trans	-61.3	-31.6	171.2	-57.6	-18.7	0	0	0	112.4	Q738 L739 Q740 T745 I754 L756 M787 M791 Y795	Q738-W742 HydrophobicContact CB-CZ2 4.05Å; Q738-W742 PolarHBondContact O-N 3.16Å; Q738-W742 PolarHBondContact O-NE1 2.73Å; L739-W742 HydrophobicContact CB-CE3 4.31Å; L739-W742 HydrophobicContact CB-CZ3 4.35Å; L739-W742 HydrophobicContact CD2-CD2 4.48Å; L739-W742 HydrophobicContact CD2-CE3 3.49Å; L739-W742 VanDerWaalsContact CD2-CE3 3.46Å; L739-W742 HydrophobicContact CD2-CH2 4.09Å; L739-W742 HydrophobicContact CD2-CZ3 3.34Å; L739-W742 HydrophobicContact CG-CE3 3.98Å; L739-W742 HydrophobicContact CG-CH2 4.27Å; L739-W742 HydrophobicContact CG-CZ3 3.75Å; L739-W742 CarbonylContact O-C 3.05Å; L739-W742 VanDerWaalsContact O-CA 3.3Å; L739-W742 WeakPolarHBondContact O-CA 3.43Å; L739-W742 VanDerWaalsContact O-CB 3.28Å; L739-W742 WeakPolarHBondContact O-CB 3.23Å; L739-W742 PolarHBondContact O-N 2.93Å; Q740-W742 VanDerWaalsContact C-N 3.31Å; Q740-W742 PolarHBondContact O-N 3.11Å; W742-T745 PolarHBondContact O-OG1 3.5Å; W742-I754 HydrophobicContact CD2-CD1 4.4Å; W742-I754 HydrophobicContact CZ2-CD1 3.88Å; W742-L756 HydrophobicContact CB-CD1 4.07Å; W742-L756 HydrophobicContact CB-CD2 3.72Å; W742-L756 WeakPolarHBondContact O-CD2 3.44Å; W742-M787 HydrophobicContact CE3-CE 3.9Å; W742-M787 HydrophobicContact CH2-CE 4.24Å; W742-M787 HydrophobicContact CZ3-CE 3.43Å; W742-M787 VanDerWaalsContact CZ3-CE 3.43Å; W742-M791 HydrophobicContact CD2-CE 3.39Å; W742-M791 HydrophobicContact CE3-CE 3.1Å; W742-M791 HydrophobicContact CE3-SD 3.82Å; W742-M791 HydrophobicContact CG-CE 4.23Å; W742-M791 HydrophobicContact CH2-CE 3.8Å; W742-M791 VanDerWaalsContact CH2-CE 3.49Å; W742-M791 HydrophobicContact CH2-SD 4.01Å; W742-M791 HydrophobicContact CZ2-CE 3.72Å; W742-M791 HydrophobicContact CZ3-CE 3.14Å; W742-M791 HydrophobicContact CZ3-SD 3.44Å; W742-M791 WeakPolarHBondContact CZ3-SD 3.26Å; W742-Y795 HydrophobicContact CB-CE1 4.41Å
743	F	45.1	Very low	49.9	Very low	57 Å²	57	84.6 Å²	84.6	25%	0.25	43%	0.427	C	S	.	.	H	α-helix	trans	-95.2	-24.9	-179.5	-65.4	-72.8	0	0	0	115.2	F680 F684 L739 Q740 N741 T746 I754 L756 M791 Y795 F802	F680-F743 HydrophobicContact CD1-CD2 4.2Å; F680-F743 HydrophobicContact CD1-CE2 4.34Å; F680-F743 AromaticContact CE1-CD2 3.56Å; F680-F743 HydrophobicContact CE1-CD2 3.56Å; F680-F743 AromaticContact CE1-CE2 3.42Å; F680-F743 HydrophobicContact CE1-CE2 3.8Å; F680-F743 VanDerWaalsContact CE1-CE2 3.42Å; F680-F743 HydrophobicContact CE1-CG 4.27Å; F680-F743 HydrophobicContact CE1-CZ 4.39Å; F680-F743 HydrophobicContact CE2-CB 4.01Å; F680-F743 HydrophobicContact CE2-CD2 4.31Å; F680-F743 HydrophobicContact CE2-CG 4.44Å; F680-F743 HydrophobicContact CZ-CB 4.08Å; F680-F743 AromaticContact CZ-CD2 3.34Å; F680-F743 HydrophobicContact CZ-CD2 3.34Å; F680-F743 VanDerWaalsContact CZ-CD2 3.44Å; F680-F743 AromaticContact CZ-CE2 3.94Å; F680-F743 HydrophobicContact CZ-CE2 3.97Å; F680-F743 AromaticContact CZ-CG 3.87Å; F680-F743 HydrophobicContact CZ-CG 3.87Å; F684-F743 HydrophobicContact CE2-CE1 4.47Å; L739-F743 HydrophobicContact CB-CE2 4.3Å; L739-F743 HydrophobicContact CD2-CE2 4.3Å; L739-F743 WeakPolarHBondContact O-CD2 3.25Å; L739-F743 WeakPolarHBondContact O-CE2 3.37Å; L739-F743 PolarHBondContact O-N 3.09Å; L739-F743 VanDerWaalsContact O-N 3.15Å; Q740-F743 CarbonylContact O-C 3.49Å; Q740-F743 WeakPolarHBondContact O-CA 3.31Å; Q740-F743 WeakPolarHBondContact O-CB 3.44Å; Q740-F743 PolarHBondContact O-N 3.01Å; N741-F743 VanDerWaalsContact C-N 3.32Å; N741-F743 PolarHBondContact O-N 3.07Å; F743-T746 PolarHBondContact O-OG1 2.79Å; F743-I754 HydrophobicContact CB-CD1 4.29Å; F743-I754 HydrophobicContact CD1-CB 4.36Å; F743-I754 HydrophobicContact CD1-CD1 3.89Å; F743-I754 HydrophobicContact CD1-CG2 3.82Å; F743-I754 HydrophobicContact CE1-CG2 4.39Å; F743-L756 HydrophobicContact CD1-CD1 4.06Å; F743-L756 HydrophobicContact CE1-CD1 3.62Å; F743-L756 HydrophobicContact CE2-CD1 4.2Å; F743-L756 HydrophobicContact CZ-CD1 3.68Å; F743-M791 HydrophobicContact CD1-CE 3.91Å; F743-M791 HydrophobicContact CE1-CB 4.46Å; F743-M791 HydrophobicContact CE1-CE 4Å; F743-M791 HydrophobicContact CE1-SD 4.09Å; F743-Y795 HydrophobicContact CD1-CE2 4.17Å; F743-F802 HydrophobicContact CD1-CD2 4.45Å; F743-F802 AromaticContact CD1-CE2 3.89Å; F743-F802 HydrophobicContact CD1-CE2 3.89Å; F743-F802 HydrophobicContact CD1-CZ 4.02Å; F743-F802 HydrophobicContact CE1-CD1 4.45Å; F743-F802 HydrophobicContact CE1-CD2 4.39Å; F743-F802 AromaticContact CE1-CE1 3.73Å; F743-F802 HydrophobicContact CE1-CE1 3.73Å; F743-F802 AromaticContact CE1-CE2 3.67Å; F743-F802 HydrophobicContact CE1-CE2 3.67Å; F743-F802 AromaticContact CE1-CZ 3.3Å; F743-F802 HydrophobicContact CE1-CZ 3.3Å; F743-F802 HydrophobicContact CZ-CZ 4.18Å
744	S	46.5	Very low	49.5	Very low	63.6667 Å²	63.6667	83.4 Å²	83.4	45%	0.445	42%	0.415	S	S	.	.	H	α-helix	trans	-105.1	-8.2	-166.3	58.6	0	0	0	0	115.5	Q740 N741 T746 K747	Q740-S744 VanDerWaalsContact O-CB 3.27Å; Q740-S744 WeakPolarHBondContact O-CB 3.29Å; Q740-S744 PolarHBondContact O-N 2.95Å; Q740-S744 VanDerWaalsContact O-N 3.09Å; Q740-S744 PolarHBondContact O-OG 2.88Å; N741-S744 WeakPolarHBondContact CA-OG 2.92Å; S744-T746 CarbonylContact O-C 3.41Å; S744-T746 PolarHBondContact O-N 3.09Å; S744-T746 VanDerWaalsContact O-N 3.13Å; S744-K747 PolarHBondContact O-N 3.16Å
745	T	40.5	Very low	49.2	Very low	88.3333 Å²	88.3333	86 Å²	86	54%	0.542	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	96.6	174.1	50.2	0	0	0	0	111.6	N741 W742 K747	N741-T745 WeakPolarHBondContact O-CG2 3.41Å; N741-T745 PolarHBondContact O-N 2.82Å; N741-T745 PolarHBondContact O-OG1 3.01Å; W742-T745 PolarHBondContact O-OG1 3.5Å; T745-K747 PolarHBondContact O-N 2.83Å
746	T	40.6	Very low	48.9	Very low	100.667 Å²	100.667	87.3 Å²	87.3	62%	0.618	43%	0.432	S	S	*	.			trans	-71.2	76.3	170.9	50.3	0	0	0	0	112.6	F743 S744 T748	F743-T746 PolarHBondContact O-OG1 2.79Å; S744-T746 CarbonylContact O-C 3.41Å; S744-T746 PolarHBondContact O-N 3.09Å; S744-T746 VanDerWaalsContact O-N 3.13Å; T746-T748 VanDerWaalsContact C-N 3.25Å; T746-T748 VanDerWaalsContact CB-OG1 3.3Å; T746-T748 WeakPolarHBondContact CB-OG1 3.46Å; T746-T748 PolarHBondContact O-N 2.98Å; T746-T748 PolarHBondContact O-OG1 2.82Å
747	K	38.1	Very low	48.8	Very low	180.667 Å²	180.667	90.2 Å²	90.2	79%	0.786	45%	0.447	S	S	*	.			trans	-46.8	29.6	163	-79.5	-175.9	178.8	178.6	0	115	S744 T745 F749 L797	S744-K747 PolarHBondContact O-N 3.16Å; T745-K747 PolarHBondContact O-N 2.83Å; K747-F749 VanDerWaalsContact C-N 3.32Å; K747-F749 HydrophobicContact CB-CD2 4.22Å; K747-F749 HydrophobicContact CB-CE2 3.88Å; K747-F749 WeakPolarHBondContact O-CD2 3.18Å; K747-F749 PolarHBondContact O-N 2.92Å; K747-L797 HydrophobicContact CD-CD2 4.21Å
748	T	40.1	Very low	49	Very low	85.6667 Å²	85.6667	86.8 Å²	86.8	53%	0.526	44%	0.435	S	S	.	.	S	Bend	trans	-88.9	86.3	-178.3	47.1	0	0	0	0	111.5	T746 Q752 L797	T746-T748 VanDerWaalsContact C-N 3.25Å; T746-T748 VanDerWaalsContact CB-OG1 3.3Å; T746-T748 WeakPolarHBondContact CB-OG1 3.46Å; T746-T748 PolarHBondContact O-N 2.98Å; T746-T748 PolarHBondContact O-OG1 2.82Å; T748-Q752 PolarHBondContact OG1-OE1 2.97Å; T748-L797 HydrophobicContact CG2-CD2 3.82Å; T748-L797 HydrophobicContact CG2-CG 3.83Å
749	F	38.3	Very low	49.4	Very low	152.667 Å²	152.667	84.2 Å²	84.2	67%	0.67	43%	0.428	S	S	*	.			trans	-81	129.8	167.9	-70	-86.5	0	0	0	108.9	K747 S751 Q752	K747-F749 VanDerWaalsContact C-N 3.32Å; K747-F749 HydrophobicContact CB-CD2 4.22Å; K747-F749 HydrophobicContact CB-CE2 3.88Å; K747-F749 WeakPolarHBondContact O-CD2 3.18Å; K747-F749 PolarHBondContact O-N 2.92Å; F749-S751 VanDerWaalsContact C-N 3.34Å; F749-S751 WeakPolarHBondContact CB-OG 3.45Å; F749-S751 PolarHBondContact O-N 2.88Å; F749-Q752 PolarHBondContact O-N 2.85Å
750	W	40.3	Very low	50	Low	173.333 Å²	173.333	83.9 Å²	83.9	66%	0.657	43%	0.425	S	S	*	.			trans	-30.7	59.4	165.4	-65.5	64.8	0	0	0	111.7	F680 Q752 S793 F802	F680-W750 HydrophobicContact CE2-CH2 4.38Å; F680-W750 HydrophobicContact CE2-CZ2 4.37Å; F680-W750 AromaticContact CZ-CH2 3.98Å; F680-W750 HydrophobicContact CZ-CH2 3.98Å; F680-W750 HydrophobicContact CZ-CZ2 4.37Å; W750-Q752 PolarHBondContact O-N 3.43Å; W750-S793 CarbonylContact O-C 3.54Å; W750-S793 WeakPolarHBondContact O-CB 3.01Å; W750-S793 VanDerWaalsContact O-O 3.1Å; W750-S793 PolarHBondContact O-OG 3.26Å; W750-F802 HydrophobicContact CE3-CE2 4.42Å
751	S	44.9	Very low	50.8	Low	66 Å²	66	82.5 Å²	82.5	46%	0.462	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	28.9	159.8	57.9	0	0	0	0	110.9	F749 P753 S793	F749-S751 VanDerWaalsContact C-N 3.34Å; F749-S751 WeakPolarHBondContact CB-OG 3.45Å; F749-S751 PolarHBondContact O-N 2.88Å; S751-P753 WeakPolarHBondContact O-CD 3.37Å; S751-S793 WeakPolarHBondContact CA-O 3.48Å; S751-S793 PolarHBondContact OG-N 3.19Å; S751-S793 PolarHBondContact OG-O 3.07Å; S751-S793 PolarHBondContact OG-OG 2.02Å
752	Q	50.4	Low	51.3	Low	130.667 Å²	130.667	81.1 Å²	81.1	61%	0.611	41%	0.41	S	S	*	.	S	Bend	trans	-78.6	126.8	173.9	-71.8	-174.2	-13.3	0	0	108.9	T748 F749 W750 I754	T748-Q752 PolarHBondContact OG1-OE1 2.97Å; F749-Q752 PolarHBondContact O-N 2.85Å; W750-Q752 PolarHBondContact O-N 3.43Å; Q752-I754 PolarHBondContact O-N 2.94Å
753	P	51.1	Low	52.1	Low	56 Å²	56	80.7 Å²	80.7	36%	0.364	41%	0.409	S	S	.	.			trans	-62.8	134.8	175	25.3	-32.3	0	0	0	110.2	S751 E755 Y790 M791 N792	S751-P753 WeakPolarHBondContact O-CD 3.37Å; P753-E755 PolarHBondContact O-N 3.13Å; P753-E755 VanDerWaalsContact O-N 3.12Å; P753-Y790 HydrophobicContact CB-CD2 3.79Å; P753-Y790 HydrophobicContact CB-CE1 4.07Å; P753-Y790 HydrophobicContact CB-CE2 3.34Å; P753-Y790 HydrophobicContact CB-CG 4.29Å; P753-Y790 VanDerWaalsContact CB-OH 3.28Å; P753-Y790 WeakPolarHBondContact CB-OH 3.22Å; P753-Y790 HydrophobicContact CG-CD2 4.08Å; P753-Y790 HydrophobicContact CG-CE2 3.63Å; P753-M791 CarbonylContact C-O 3.45Å; P753-M791 WeakPolarHBondContact CA-O 3.46Å; P753-N792 HydrophobicContact CB-CB 4.22Å
754	I	53.9	Low	53.2	Low	47 Å²	47	82.7 Å²	82.7	24%	0.241	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	108.9	174.4	-55.9	-177.9	0	0	0	107.4	W742 F743 Q752 L756 Y790 M791	W742-I754 HydrophobicContact CD2-CD1 4.4Å; W742-I754 HydrophobicContact CZ2-CD1 3.88Å; F743-I754 HydrophobicContact CB-CD1 4.29Å; F743-I754 HydrophobicContact CD1-CB 4.36Å; F743-I754 HydrophobicContact CD1-CD1 3.89Å; F743-I754 HydrophobicContact CD1-CG2 3.82Å; F743-I754 HydrophobicContact CE1-CG2 4.39Å; Q752-I754 PolarHBondContact O-N 2.94Å; I754-L756 HydrophobicContact CG2-CD2 4.26Å; I754-L756 HydrophobicContact CG2-CG 4.29Å; I754-Y790 CarbonylContact O-C 3.41Å; I754-Y790 WeakPolarHBondContact O-CA 3.26Å; I754-M791 HydrophobicContact CB-CB 4.47Å; I754-M791 HydrophobicContact CB-CE 4.34Å; I754-M791 HydrophobicContact CD1-CE 3.71Å; I754-M791 VanDerWaalsContact CD1-CE 3.48Å; I754-M791 HydrophobicContact CG1-CE 4.17Å; I754-M791 PolarHBondContact N-O 3.3Å; I754-M791 PolarHBondContact O-N 3.14Å; I754-M791 VanDerWaalsContact O-N 3.13Å
755	E	57.5	Low	54.1	Low	100 Å²	100	80.5 Å²	80.5	47%	0.467	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.6	172.7	-97.4	-173.9	178.9	0	0	110.1	P753 N757 S789 Y790	P753-E755 PolarHBondContact O-N 3.13Å; P753-E755 VanDerWaalsContact O-N 3.12Å; E755-N757 PolarHBondContact OE1-ND2 3.04Å; E755-N757 PolarHBondContact OE2-ND2 2.92Å; E755-S789 WeakPolarHBondContact CA-O 3.42Å; E755-Y790 HydrophobicContact CB-CD2 4.13Å; E755-Y790 HydrophobicContact CG-CD2 4.16Å; E755-Y790 HydrophobicContact CG-CE2 4.45Å
756	L	56	Low	55.6	Low	51 Å²	51	80.9 Å²	80.9	27%	0.267	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	97.5	171	-64.7	173.1	0	0	0	108.7	F730 W742 F743 I754 M787 N788 S789	F730-L756 HydrophobicContact CD2-CD2 3.97Å; F730-L756 HydrophobicContact CE2-CD1 4.28Å; F730-L756 HydrophobicContact CE2-CD2 4Å; W742-L756 HydrophobicContact CB-CD1 4.07Å; W742-L756 HydrophobicContact CB-CD2 3.72Å; W742-L756 WeakPolarHBondContact O-CD2 3.44Å; F743-L756 HydrophobicContact CD1-CD1 4.06Å; F743-L756 HydrophobicContact CE1-CD1 3.62Å; F743-L756 HydrophobicContact CE2-CD1 4.2Å; F743-L756 HydrophobicContact CZ-CD1 3.68Å; I754-L756 HydrophobicContact CG2-CD2 4.26Å; I754-L756 HydrophobicContact CG2-CG 4.29Å; L756-M787 HydrophobicContact CB-CE 4.33Å; L756-N788 CarbonylContact O-C 3.47Å; L756-N788 VanDerWaalsContact O-CA 3.31Å; L756-N788 WeakPolarHBondContact O-CA 3.39Å; L756-S789 WeakPolarHBondContact CB-O 3.43Å; L756-S789 WeakPolarHBondContact CB-OG 3.22Å; L756-S789 PolarHBondContact N-O 3.08Å; L756-S789 PolarHBondContact O-N 2.95Å; L756-S789 VanDerWaalsContact O-N 3.08Å
757	N	61.4	Low	57	Low	70.6667 Å²	70.6667	78.4 Å²	78.4	38%	0.378	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.9	173.5	-69	-38.1	0	0	0	109.1	N365 E755 M787 N788	N365-N757 PolarHBondContact ND2-O 2.8Å; E755-N757 PolarHBondContact OE1-ND2 3.04Å; E755-N757 PolarHBondContact OE2-ND2 2.92Å; N757-M787 CarbonylContact C-O 3.47Å; N757-M787 WeakPolarHBondContact CA-O 3.43Å; N757-N788 WeakPolarHBondContact OD1-CA 3.46Å; N757-N788 WeakPolarHBondContact OD1-CB 3.3Å; N757-N788 PolarHBondContact OD1-ND2 3.09Å; N757-N788 VanDerWaalsContact OD1-ND2 3.13Å; N757-N788 PolarHBondContact OD1-OD1 3.14Å
758	H	63.6	Low	58.8	Low	51.6667 Å²	51.6667	73.5 Å²	73.5	24%	0.239	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123.2	177.6	-176	-77.6	0	0	0	110.1	K760 Y786 M787	H758-K760 WeakPolarHBondContact CE1-CB 3.32Å; H758-K760 VanDerWaalsContact CE1-CD 3.48Å; H758-K760 WeakPolarHBondContact CE1-CD 3.32Å; H758-K760 VanDerWaalsContact CE1-CG 3.5Å; H758-K760 WeakPolarHBondContact CE1-CG 3.35Å; H758-Y786 CarbonylContact O-C 3.54Å; H758-Y786 WeakPolarHBondContact O-CA 3.3Å; H758-M787 HydrophobicContact CB-CB 4.43Å; H758-M787 HydrophobicContact CB-CE 4.07Å; H758-M787 PolarHBondContact N-O 3.18Å; H758-M787 PolarHBondContact O-N 2.8Å
759	A	64.6	Low	60.4	Low	29 Å²	29	71.5 Å²	71.5	24%	0.24	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.1	172.6	0	0	0	0	0	108.4	F362 S785 Y786	F362-A759 HydrophobicContact CD2-CB 3.91Å; F362-A759 HydrophobicContact CE2-CB 3.77Å; A759-S785 WeakPolarHBondContact CA-O 3.28Å; A759-Y786 HydrophobicContact CB-CD1 3.5Å; A759-Y786 VanDerWaalsContact CB-CD1 3.45Å; A759-Y786 HydrophobicContact CB-CE1 3.66Å; A759-Y786 VanDerWaalsContact CB-CE1 3.44Å; A759-Y786 HydrophobicContact CB-CG 4.42Å
760	K	67.2	Low	62.2	Low	46.3333 Å²	46.3333	67.4 Å²	67.4	20%	0.201	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	138	-177.2	-162.6	172.3	-174.5	171.4	0	112	E369 W724 K727 H758 L762 I784 S785	E369-K760 VanDerWaalsContact OE1-CG 3.27Å; E369-K760 WeakPolarHBondContact OE1-CG 3.31Å; W724-K760 HydrophobicContact CZ3-CD 4.31Å; K727-K760 HydrophobicContact CD-CD 4.24Å; H758-K760 WeakPolarHBondContact CE1-CB 3.32Å; H758-K760 VanDerWaalsContact CE1-CD 3.48Å; H758-K760 WeakPolarHBondContact CE1-CD 3.32Å; H758-K760 VanDerWaalsContact CE1-CG 3.5Å; H758-K760 WeakPolarHBondContact CE1-CG 3.35Å; K760-L762 HydrophobicContact CB-CD2 3.93Å; K760-L762 HydrophobicContact CD-CD2 4.21Å; K760-L762 HydrophobicContact CG-CD2 4.21Å; K760-L762 WeakPolarHBondContact O-CD2 3.42Å; K760-L762 PolarHBondContact O-N 3.08Å; K760-L762 VanDerWaalsContact O-N 3.17Å; K760-I784 WeakPolarHBondContact O-CA 3.36Å; K760-S785 PolarHBondContact N-O 3.36Å; K760-S785 PolarHBondContact O-N 2.88Å
761	H	68.4	Low	64	Low	48.6667 Å²	48.6667	60.4 Å²	60.4	23%	0.225	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	109.1	162.3	-106.6	-80.1	0	0	0	108.7	F328 E369 K727 W763 K764 V783 I784	F328-H761 HydrophobicContact CE1-CB 4.44Å; E369-H761 HydrophobicContact CG-CB 4.43Å; E369-H761 WeakPolarHBondContact OE1-CA 3.22Å; E369-H761 VanDerWaalsContact OE1-CB 3.28Å; E369-H761 WeakPolarHBondContact OE1-CB 3.37Å; E369-H761 PolarHBondContact OE1-N 3.43Å; E369-H761 VanDerWaalsContact OE1-O 3.1Å; K727-H761 PolarHBondContact NZ-O 3.33Å; H761-W763 VanDerWaalsContact CE1-C 3.46Å; H761-W763 PolarHBondContact CE1-O 3.29Å; H761-K764 WeakPolarHBondContact CE1-CB 3.48Å; H761-V783 CarbonylContact C-O 3.55Å; H761-V783 WeakPolarHBondContact CA-O 3.2Å; H761-I784 WeakPolarHBondContact CE1-CD1 3.47Å; H761-I784 VanDerWaalsContact CE1-CG1 3.45Å; H761-I784 WeakPolarHBondContact CE1-CG1 3.35Å; H761-I784 WeakPolarHBondContact ND1-CG1 3.38Å
762	L	63	Low	65.5	Low	24.3333 Å²	24.3333	61.1 Å²	61.1	13%	0.127	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-45.4	178.7	-59.2	-175.5	0	0	0	110.5	K404 W724 F725 V729 K760 V783 F812	K404-L762 PolarHBondContact NZ-O 2.94Å; W724-L762 HydrophobicContact CB-CD2 4.34Å; W724-L762 HydrophobicContact CE3-CD1 3.69Å; W724-L762 HydrophobicContact CE3-CD2 4.01Å; W724-L762 HydrophobicContact CH2-CB 4.48Å; W724-L762 HydrophobicContact CH2-CD1 3.1Å; W724-L762 HydrophobicContact CH2-CD2 2.95Å; W724-L762 HydrophobicContact CH2-CG 3.55Å; W724-L762 HydrophobicContact CZ2-CD1 3.31Å; W724-L762 HydrophobicContact CZ2-CD2 3.89Å; W724-L762 HydrophobicContact CZ2-CG 4.12Å; W724-L762 HydrophobicContact CZ3-CD1 4.15Å; W724-L762 HydrophobicContact CZ3-CD2 2.99Å; W724-L762 HydrophobicContact CZ3-CG 4.09Å; F725-L762 HydrophobicContact CD2-CB 4.28Å; V729-L762 HydrophobicContact CG1-CB 3.79Å; V729-L762 HydrophobicContact CG2-CD2 4.38Å; K760-L762 HydrophobicContact CB-CD2 3.93Å; K760-L762 HydrophobicContact CD-CD2 4.21Å; K760-L762 HydrophobicContact CG-CD2 4.21Å; K760-L762 WeakPolarHBondContact O-CD2 3.42Å; K760-L762 PolarHBondContact O-N 3.08Å; K760-L762 VanDerWaalsContact O-N 3.17Å; L762-V783 HydrophobicContact CB-CB 4.21Å; L762-V783 HydrophobicContact CB-CG1 4.08Å; L762-V783 HydrophobicContact CD1-CG1 4.03Å; L762-V783 HydrophobicContact CG-CG1 4.15Å; L762-V783 PolarHBondContact N-O 3.12Å; L762-F812 HydrophobicContact CD1-CD1 3.95Å; L762-F812 HydrophobicContact CD1-CE1 3.75Å
763	W	62.2	Low	66.7	Low	72.3333 Å²	72.3333	56.9 Å²	56.9	27%	0.274	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	133.3	-178.4	-169.2	13.4	0	0	0	110.4	W250 W724 K727 H761 S765 N782 V783	W250-W763 HydrophobicContact CZ2-CE3 4.42Å; W250-W763 HydrophobicContact CZ2-CZ3 4.42Å; W724-W763 HydrophobicContact CD2-CE3 4.45Å; W724-W763 HydrophobicContact CD2-CZ3 4.46Å; W724-W763 HydrophobicContact CE3-CD2 4.47Å; W724-W763 AromaticContact CE3-CE3 3.16Å; W724-W763 HydrophobicContact CE3-CE3 3.16Å; W724-W763 HydrophobicContact CE3-CH2 4.34Å; W724-W763 AromaticContact CE3-CZ3 3.1Å; W724-W763 HydrophobicContact CE3-CZ3 3.1Å; W724-W763 HydrophobicContact CH2-CE3 4.47Å; W724-W763 HydrophobicContact CH2-CZ3 4.38Å; W724-W763 HydrophobicContact CZ3-CD2 4.27Å; W724-W763 AromaticContact CZ3-CE3 3.17Å; W724-W763 HydrophobicContact CZ3-CE3 3.17Å; W724-W763 AromaticContact CZ3-CH2 3.99Å; W724-W763 HydrophobicContact CZ3-CH2 3.99Å; W724-W763 AromaticContact CZ3-CZ3 3.04Å; W724-W763 HydrophobicContact CZ3-CZ3 3.04Å; K727-W763 HydrophobicContact CD-CH2 4.17Å; K727-W763 HydrophobicContact CD-CZ3 4.4Å; H761-W763 VanDerWaalsContact CE1-C 3.46Å; H761-W763 PolarHBondContact CE1-O 3.29Å; W763-S765 VanDerWaalsContact NE1-CB 3.32Å; W763-N782 CarbonylContact O-C 3.54Å; W763-N782 WeakPolarHBondContact O-CA 3.39Å; W763-V783 HydrophobicContact CB-CB 4.1Å; W763-V783 HydrophobicContact CB-CG2 4.12Å; W763-V783 HydrophobicContact CE3-CG2 4.36Å; W763-V783 PolarHBondContact N-O 2.9Å; W763-V783 VanDerWaalsContact N-O 3.15Å; W763-V783 PolarHBondContact O-N 3.27Å
764	K	68.2	Low	67.8	Low	98 Å²	98	55.8 Å²	55.8	43%	0.426	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.9	165.3	-179	157.3	-176.6	174.8	0	107	E333 H761 T781 N782	E333-K764 IonicContact OE1-NZ 2.79Å; E333-K764 PolarHBondContact OE1-NZ 2.97Å; H761-K764 WeakPolarHBondContact CE1-CB 3.48Å; K764-T781 CarbonylContact C-O 3.53Å; K764-T781 VanDerWaalsContact CA-O 3.3Å; K764-T781 WeakPolarHBondContact CA-O 3.41Å; K764-N782 WeakPolarHBondContact CB-OD1 3.45Å; K764-N782 VanDerWaalsContact CD-OD1 3.31Å; K764-N782 WeakPolarHBondContact CD-OD1 3.27Å; K764-N782 WeakPolarHBondContact CE-OD1 3.45Å; K764-N782 WeakPolarHBondContact CG-OD1 3.44Å
765	S	66.4	Low	69.1	Low	16.6667 Å²	16.6667	55.9 Å²	55.9	12%	0.117	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.2	171.7	107.3	0	0	0	0	108.9	W763 N767 E780 T781	W763-S765 VanDerWaalsContact NE1-CB 3.32Å; S765-N767 PolarHBondContact OG-ND2 2.94Å; S765-N767 PolarHBondContact OG-OD1 3.48Å; S765-E780 CarbonylContact O-C 3.56Å; S765-E780 VanDerWaalsContact O-CA 3.26Å; S765-E780 WeakPolarHBondContact O-CA 3.26Å; S765-T781 WeakPolarHBondContact CB-OG1 3.32Å; S765-T781 PolarHBondContact N-O 3.09Å; S765-T781 PolarHBondContact O-N 2.69Å; S765-T781 PolarHBondContact O-OG1 2.99Å; S765-T781 PolarHBondContact OG-OG1 2.76Å
766	K	71.9	Confident	70	Confident	98.3333 Å²	98.3333	52.3 Å²	52.3	43%	0.428	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117	169.5	175.3	173.2	172.7	147.8	0	106.2	E768 E778 W779 E780	K766-E768 WeakPolarHBondContact CE-OE1 3.26Å; K766-E768 IonicContact NZ-OE1 3.33Å; K766-E768 PolarHBondContact NZ-OE1 2.67Å; K766-E778 HydrophobicContact CD-CG 4.41Å; K766-E778 WeakPolarHBondContact CD-OE1 3.24Å; K766-E778 WeakPolarHBondContact CE-OE1 3.2Å; K766-E778 HydrophobicContact CG-CG 4.36Å; K766-E778 VanDerWaalsContact NZ-CD 3.33Å; K766-E778 IonicContact NZ-OE1 3.44Å; K766-E778 PolarHBondContact NZ-OE1 3.19Å; K766-E778 IonicContact NZ-OE2 3.06Å; K766-E778 PolarHBondContact NZ-OE2 2.91Å; K766-W779 CarbonylContact C-O 3.59Å; K766-W779 VanDerWaalsContact CA-O 3.32Å; K766-W779 WeakPolarHBondContact CA-O 3.36Å; K766-E780 HydrophobicContact CB-CG 4.23Å; K766-E780 HydrophobicContact CD-CG 4.3Å; K766-E780 WeakPolarHBondContact CD-OE1 3.4Å; K766-E780 WeakPolarHBondContact CE-OE1 3.46Å; K766-E780 HydrophobicContact CG-CG 4.01Å; K766-E780 IonicContact NZ-OE1 3.52Å; K766-E780 PolarHBondContact NZ-OE1 2.83Å
767	N	70.3	Confident	71.2	Confident	46.6667 Å²	46.6667	50.7 Å²	50.7	25%	0.25	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.1	178.9	-60.1	-42.3	0	0	0	108.2	S765 E778 W779	S765-N767 PolarHBondContact OG-ND2 2.94Å; S765-N767 PolarHBondContact OG-OD1 3.48Å; N767-E778 CarbonylContact O-C 3.59Å; N767-W779 PolarHBondContact N-O 3.22Å; N767-W779 PolarHBondContact O-N 2.94Å
768	E	74.3	Confident	72	Confident	79 Å²	79	47.8 Å²	47.8	37%	0.369	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132	176.2	-64.4	175	178.8	0	0	108.8	K766 Y776 I777 E778	K766-E768 WeakPolarHBondContact CE-OE1 3.26Å; K766-E768 IonicContact NZ-OE1 3.33Å; K766-E768 PolarHBondContact NZ-OE1 2.67Å; E768-Y776 HydrophobicContact CB-CD2 4.05Å; E768-Y776 HydrophobicContact CB-CE2 4.32Å; E768-Y776 HydrophobicContact CG-CD2 4.14Å; E768-Y776 HydrophobicContact CG-CE2 4.05Å; E768-I777 CarbonylContact C-O 3.51Å; E768-I777 VanDerWaalsContact CA-O 3.32Å; E768-I777 WeakPolarHBondContact CA-O 3.18Å; E768-E778 HydrophobicContact CG-CB 4.37Å; E768-E778 HydrophobicContact CG-CG 4.26Å
769	H	74	Confident	72.5	Confident	44 Å²	44	46.9 Å²	46.9	20%	0.204	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	109.4	-179.5	-94.6	-21.3	0	0	0	110.1	L162 L219 Y776 I777	L162-H769 WeakPolarHBondContact CD2-CE1 3.47Å; L219-H769 HydrophobicContact CD1-CB 3.86Å; H769-Y776 CarbonylContact O-C 3.57Å; H769-Y776 VanDerWaalsContact O-CA 3.22Å; H769-Y776 WeakPolarHBondContact O-CA 3.34Å; H769-Y776 WeakPolarHBondContact O-CB 3.48Å; H769-I777 HydrophobicContact CB-CB 4.35Å; H769-I777 PolarHBondContact N-O 3.07Å; H769-I777 PolarHBondContact O-N 3.12Å
770	P	76.1	Confident	73	Confident	65.3333 Å²	65.3333	47.2 Å²	47.2	42%	0.424	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	140.9	177.6	29.8	-33.3	0	0	0	110.7	H161 L162 F292	H161-P770 PolarHBondContact CD2-O 2.79Å; H161-P770 WeakPolarHBondContact O-CG 3.32Å; L162-P770 HydrophobicContact CD2-CG 3.93Å; F292-P770 HydrophobicContact CE2-CB 3.98Å; F292-P770 HydrophobicContact CE2-CG 4.12Å; F292-P770 HydrophobicContact CZ-CB 4.38Å
771	L	78.2	Confident	73.2	Confident	26.3333 Å²	26.3333	45.3 Å²	45.3	14%	0.138	23%	0.23	C	C	.	.			trans	-104.1	159.8	174.7	-64.2	167.8	0	0	0	110.1	H161 L261 V263 S773 G774 F775 I777 L820	H161-L771 VanDerWaalsContact CD2-C 3.5Å; L261-L771 HydrophobicContact CD2-CD1 3.4Å; L261-L771 VanDerWaalsContact CD2-CD1 3.4Å; L261-L771 HydrophobicContact CD2-CD2 3.9Å; L261-L771 HydrophobicContact CD2-CG 4.29Å; V263-L771 HydrophobicContact CG2-CD1 4.26Å; L771-S773 PolarHBondContact O-N 3.14Å; L771-S773 VanDerWaalsContact O-N 3.13Å; L771-G774 PolarHBondContact O-N 3.26Å; L771-F775 WeakPolarHBondContact CA-O 3.33Å; L771-F775 VanDerWaalsContact CB-O 3.27Å; L771-F775 WeakPolarHBondContact CB-O 3.28Å; L771-F775 HydrophobicContact CD1-CB 4.24Å; L771-F775 PolarHBondContact N-O 3.01Å; L771-I777 HydrophobicContact CD1-CD1 4.06Å; L771-I777 HydrophobicContact CD1-CG1 3.85Å; L771-I777 HydrophobicContact CD2-CD1 3.92Å; L771-I777 HydrophobicContact CD2-CG1 4.18Å; L771-I777 HydrophobicContact CG-CD1 4.16Å; L771-I777 HydrophobicContact CG-CG1 4.12Å; L771-L820 HydrophobicContact CD1-CD1 3.48Å; L771-L820 VanDerWaalsContact CD1-CD1 3.44Å
772	L	77	Confident	73.3	Confident	80.6667 Å²	80.6667	44 Å²	44	42%	0.422	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.6	177.8	-88.5	138.1	0	0	0	114.1	A138 Q142 H161 L223 C240 E242 V263 M265 G774	A138-L772 WeakPolarHBondContact CB-O 3.42Å; Q142-L772 HydrophobicContact CG-CD1 4.24Å; H161-L772 VanDerWaalsContact CE1-CA 3.5Å; H161-L772 WeakPolarHBondContact CE1-CA 3.4Å; H161-L772 PolarHBondContact NE2-N 2.79Å; L223-L772 HydrophobicContact CD1-CB 4.1Å; L223-L772 HydrophobicContact CD1-CD1 4.33Å; L223-L772 HydrophobicContact CD1-CD2 3.97Å; L223-L772 HydrophobicContact CD1-CG 4.37Å; C240-L772 HydrophobicContact CB-CD1 3.87Å; E242-L772 HydrophobicContact CB-CD2 3.12Å; E242-L772 HydrophobicContact CB-CG 4.38Å; E242-L772 HydrophobicContact CG-CD2 4.24Å; E242-L772 WeakPolarHBondContact OE2-CB 3.11Å; E242-L772 WeakPolarHBondContact OE2-CD2 3.32Å; E242-L772 PolarHBondContact OE2-N 3.26Å; V263-L772 HydrophobicContact CB-CD2 3.64Å; V263-L772 HydrophobicContact CG1-CD2 3.62Å; V263-L772 HydrophobicContact CG1-CG 4.02Å; M265-L772 HydrophobicContact CB-CD1 3.49Å; M265-L772 VanDerWaalsContact CB-CD1 3.49Å; M265-L772 HydrophobicContact CG-CD1 4.17Å; M265-L772 HydrophobicContact SD-CD1 3.6Å; M265-L772 VanDerWaalsContact SD-CD1 3.6Å; L772-G774 VanDerWaalsContact C-N 3.33Å; L772-G774 PolarHBondContact O-N 2.8Å; L772-G774 VanDerWaalsContact O-N 3.09Å
773	S	75.8	Confident	73.7	Confident	43.6667 Å²	43.6667	43.3 Å²	43.3	31%	0.305	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7	178.4	54.8	0	0	0	0	114.3	H43 A138 L771 F775	H43-S773 VanDerWaalsContact NE2-CB 3.27Å; H43-S773 WeakPolarHBondContact NE2-CB 3.23Å; H43-S773 PolarHBondContact NE2-OG 2.78Å; A138-S773 VanDerWaalsContact CB-C 3.43Å; L771-S773 PolarHBondContact O-N 3.14Å; L771-S773 VanDerWaalsContact O-N 3.13Å; S773-F775 VanDerWaalsContact C-N 3.25Å; S773-F775 PolarHBondContact O-N 2.96Å; S773-F775 WeakPolarHBondContact OG-CB 2.98Å; S773-F775 WeakPolarHBondContact OG-CD2 3.22Å; S773-F775 PolarHBondContact OG-N 2.88Å
774	G	74	Confident	74.2	Confident	32.6667 Å²	32.6667	40.2 Å²	40.2	34%	0.337	21%	0.209	S	C	.	.	S	Bend	trans	84.1	-6.7	-171.3	0	0	0	0	0	113.8	R134 L771 L772 G823	R134-G774 WeakPolarHBondContact CB-O 3.43Å; R134-G774 WeakPolarHBondContact CD-O 3.4Å; L771-G774 PolarHBondContact O-N 3.26Å; L772-G774 VanDerWaalsContact C-N 3.33Å; L772-G774 PolarHBondContact O-N 2.8Å; L772-G774 VanDerWaalsContact O-N 3.09Å; G774-G823 PolarHBondContact O-N 2.8Å
775	F	80.3	Confident	74.4	Confident	48 Å²	48	36 Å²	36	21%	0.211	19%	0.193	C	C	.	.			trans	-75.1	161.4	166	-63.8	-85.6	0	0	0	109.6	H43 Y67 I69 I135 L771 S773 L820 V821 S822 I827	H43-F775 AromaticContact CE1-CD2 3.89Å; H43-F775 AromaticContact NE2-CD2 3.79Å; H43-F775 AromaticContact NE2-CG 3.71Å; Y67-F775 HydrophobicContact CD1-CE1 4.26Å; Y67-F775 AromaticContact CE1-CE1 3.48Å; Y67-F775 HydrophobicContact CE1-CE1 3.48Å; Y67-F775 VanDerWaalsContact CE1-CE1 3.48Å; Y67-F775 AromaticContact CE1-CZ 3.71Å; Y67-F775 HydrophobicContact CE1-CZ 3.71Å; I69-F775 HydrophobicContact CD1-CZ 4.31Å; I69-F775 HydrophobicContact CG2-CE2 4.21Å; I69-F775 HydrophobicContact CG2-CZ 4.01Å; I135-F775 HydrophobicContact CD1-CE2 3.72Å; I135-F775 HydrophobicContact CD1-CZ 4.12Å; I135-F775 HydrophobicContact CG1-CE2 3.95Å; L771-F775 WeakPolarHBondContact CA-O 3.33Å; L771-F775 VanDerWaalsContact CB-O 3.27Å; L771-F775 WeakPolarHBondContact CB-O 3.28Å; L771-F775 HydrophobicContact CD1-CB 4.24Å; L771-F775 PolarHBondContact N-O 3.01Å; S773-F775 VanDerWaalsContact C-N 3.25Å; S773-F775 PolarHBondContact O-N 2.96Å; S773-F775 WeakPolarHBondContact OG-CB 2.98Å; S773-F775 WeakPolarHBondContact OG-CD2 3.22Å; S773-F775 PolarHBondContact OG-N 2.88Å; F775-L820 HydrophobicContact CB-CD1 3.91Å; F775-L820 HydrophobicContact CB-CD2 4.32Å; F775-L820 HydrophobicContact CB-CG 4.24Å; F775-L820 HydrophobicContact CD1-CD2 3.96Å; F775-L820 VanDerWaalsContact CD1-CD2 3.47Å; F775-L820 HydrophobicContact CD1-CG 4.2Å; F775-L820 HydrophobicContact CD2-CD2 4.33Å; F775-L820 HydrophobicContact CE1-CD2 3.92Å; F775-L820 HydrophobicContact CG-CD2 3.95Å; F775-L820 HydrophobicContact CG-CG 4.34Å; F775-V821 CarbonylContact C-O 3.6Å; F775-V821 VanDerWaalsContact CA-O 3.3Å; F775-V821 WeakPolarHBondContact CA-O 3.19Å; F775-V821 WeakPolarHBondContact CB-O 3.41Å; F775-S822 VanDerWaalsContact CE1-OG 3.29Å; F775-S822 WeakPolarHBondContact CE1-OG 3.31Å; F775-I827 HydrophobicContact CD1-CD1 3.81Å; F775-I827 VanDerWaalsContact CD1-CD1 3.48Å; F775-I827 HydrophobicContact CE1-CD1 3.6Å; F775-I827 HydrophobicContact CE2-CD1 4.37Å; F775-I827 HydrophobicContact CZ-CD1 3.98Å
776	Y	77.8	Confident	74.7	Confident	24.3333 Å²	24.3333	37.4 Å²	37.4	10%	0.095	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.8	171.2	65.9	-83.9	0	0	0	111	R134 K295 E768 H769 E778 L820 V821 G823	R134-Y776 VanDerWaalsContact NH1-CE1 3.26Å; K295-Y776 WeakPolarHBondContact CE-OH 2.87Å; K295-Y776 PolarHBondContact NZ-OH 3.24Å; E768-Y776 HydrophobicContact CB-CD2 4.05Å; E768-Y776 HydrophobicContact CB-CE2 4.32Å; E768-Y776 HydrophobicContact CG-CD2 4.14Å; E768-Y776 HydrophobicContact CG-CE2 4.05Å; H769-Y776 CarbonylContact O-C 3.57Å; H769-Y776 VanDerWaalsContact O-CA 3.22Å; H769-Y776 WeakPolarHBondContact O-CA 3.34Å; H769-Y776 WeakPolarHBondContact O-CB 3.48Å; Y776-E778 HydrophobicContact CD2-CB 4.2Å; Y776-E778 HydrophobicContact CE2-CB 4.21Å; Y776-E778 HydrophobicContact CE2-CG 4.29Å; Y776-E778 PolarHBondContact OH-OE2 2.87Å; Y776-L820 WeakPolarHBondContact O-CA 3.31Å; Y776-V821 HydrophobicContact CD1-CB 4.28Å; Y776-V821 VanDerWaalsContact CD1-O 3.32Å; Y776-V821 WeakPolarHBondContact CD1-O 3.08Å; Y776-V821 HydrophobicContact CD2-CB 4.37Å; Y776-V821 HydrophobicContact CE1-CB 3.77Å; Y776-V821 HydrophobicContact CE1-CG1 3.8Å; Y776-V821 HydrophobicContact CE2-CB 3.87Å; Y776-V821 HydrophobicContact CE2-CG1 4.23Å; Y776-V821 HydrophobicContact CE2-CG2 4.19Å; Y776-V821 HydrophobicContact CG-CB 4.47Å; Y776-V821 VanDerWaalsContact CZ-CB 3.44Å; Y776-V821 VanDerWaalsContact CZ-CG1 3.45Å; Y776-V821 PolarHBondContact N-O 3.26Å; Y776-V821 VanDerWaalsContact N-O 3.12Å; Y776-V821 PolarHBondContact O-N 3.16Å; Y776-V821 WeakPolarHBondContact OH-CG1 3.36Å; Y776-G823 WeakPolarHBondContact CE1-O 3.45Å; Y776-G823 PolarHBondContact OH-O 2.85Å
777	I	79.3	Confident	74.4	Confident	17 Å²	17	34.7 Å²	34.7	9%	0.087	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.8	171.2	-58.6	171.3	0	0	0	107.5	L219 L261 E768 H769 L771 V818 Q819 L820	L219-I777 HydrophobicContact CD1-CG2 4.45Å; L219-I777 HydrophobicContact CD2-CD1 3.85Å; L261-I777 HydrophobicContact CD2-CD1 3.67Å; L261-I777 HydrophobicContact CD2-CG1 3.85Å; E768-I777 CarbonylContact C-O 3.51Å; E768-I777 VanDerWaalsContact CA-O 3.32Å; E768-I777 WeakPolarHBondContact CA-O 3.18Å; H769-I777 HydrophobicContact CB-CB 4.35Å; H769-I777 PolarHBondContact N-O 3.07Å; H769-I777 PolarHBondContact O-N 3.12Å; L771-I777 HydrophobicContact CD1-CD1 4.06Å; L771-I777 HydrophobicContact CD1-CG1 3.85Å; L771-I777 HydrophobicContact CD2-CD1 3.92Å; L771-I777 HydrophobicContact CD2-CG1 4.18Å; L771-I777 HydrophobicContact CG-CD1 4.16Å; L771-I777 HydrophobicContact CG-CG1 4.12Å; I777-V818 HydrophobicContact CG2-CG1 3.68Å; I777-Q819 CarbonylContact C-O 3.57Å; I777-Q819 VanDerWaalsContact CA-O 3.27Å; I777-Q819 WeakPolarHBondContact CA-O 3.24Å; I777-L820 HydrophobicContact CG1-CD1 4.03Å
778	E	79.1	Confident	74.3	Confident	10.6667 Å²	10.6667	35.4 Å²	35.4	5%	0.05	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.1	167.5	-172.1	175.9	150.7	0	0	109	K766 N767 E768 Y776 E780 V818 Q819 V821	K766-E778 HydrophobicContact CD-CG 4.41Å; K766-E778 WeakPolarHBondContact CD-OE1 3.24Å; K766-E778 WeakPolarHBondContact CE-OE1 3.2Å; K766-E778 HydrophobicContact CG-CG 4.36Å; K766-E778 VanDerWaalsContact NZ-CD 3.33Å; K766-E778 IonicContact NZ-OE1 3.44Å; K766-E778 PolarHBondContact NZ-OE1 3.19Å; K766-E778 IonicContact NZ-OE2 3.06Å; K766-E778 PolarHBondContact NZ-OE2 2.91Å; N767-E778 CarbonylContact O-C 3.59Å; E768-E778 HydrophobicContact CG-CB 4.37Å; E768-E778 HydrophobicContact CG-CG 4.26Å; Y776-E778 HydrophobicContact CD2-CB 4.2Å; Y776-E778 HydrophobicContact CE2-CB 4.21Å; Y776-E778 HydrophobicContact CE2-CG 4.29Å; Y776-E778 PolarHBondContact OH-OE2 2.87Å; E778-E780 HydrophobicContact CG-CG 4.32Å; E778-V818 CarbonylContact O-C 3.5Å; E778-V818 VanDerWaalsContact O-CA 3.29Å; E778-V818 WeakPolarHBondContact O-CA 3.3Å; E778-Q819 HydrophobicContact CB-CB 4.28Å; E778-Q819 PolarHBondContact N-O 3.18Å; E778-Q819 PolarHBondContact O-N 3.11Å; E778-V821 HydrophobicContact CB-CG2 3.92Å
779	W	74	Confident	73.7	Confident	32.6667 Å²	32.6667	32.5 Å²	32.5	12%	0.124	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	107.4	175.8	-173.4	5.3	0	0	0	110.4	Y218 K766 N767 T781 R817 V818	Y218-W779 AromaticContact CD1-CH2 3.28Å; Y218-W779 HydrophobicContact CD1-CH2 3.28Å; Y218-W779 HydrophobicContact CD1-CZ2 4.34Å; Y218-W779 AromaticContact CD1-CZ3 3.82Å; Y218-W779 HydrophobicContact CD1-CZ3 3.82Å; Y218-W779 HydrophobicContact CD2-CE3 4.48Å; Y218-W779 AromaticContact CD2-CH2 3.59Å; Y218-W779 HydrophobicContact CD2-CH2 3.59Å; Y218-W779 AromaticContact CD2-CZ3 3.26Å; Y218-W779 HydrophobicContact CD2-CZ3 3.26Å; Y218-W779 AromaticContact CE1-CH2 3.78Å; Y218-W779 HydrophobicContact CE1-CH2 3.78Å; Y218-W779 HydrophobicContact CE1-CZ3 4.44Å; Y218-W779 HydrophobicContact CE2-CH2 4.05Å; Y218-W779 AromaticContact CE2-CZ3 3.95Å; Y218-W779 HydrophobicContact CE2-CZ3 3.95Å; Y218-W779 HydrophobicContact CG-CE3 4.37Å; Y218-W779 AromaticContact CG-CH2 3.13Å; Y218-W779 HydrophobicContact CG-CH2 3.13Å; Y218-W779 HydrophobicContact CG-CZ2 4.4Å; Y218-W779 AromaticContact CG-CZ3 3.13Å; Y218-W779 HydrophobicContact CG-CZ3 3.13Å; K766-W779 CarbonylContact C-O 3.59Å; K766-W779 VanDerWaalsContact CA-O 3.32Å; K766-W779 WeakPolarHBondContact CA-O 3.36Å; N767-W779 PolarHBondContact N-O 3.22Å; N767-W779 PolarHBondContact O-N 2.94Å; W779-T781 HydrophobicContact CD2-CG2 4.44Å; W779-T781 HydrophobicContact CZ2-CG2 4.1Å; W779-R817 CarbonylContact C-O 3.51Å; W779-R817 VanDerWaalsContact CA-O 3.3Å; W779-R817 WeakPolarHBondContact CA-O 3.27Å; W779-V818 HydrophobicContact CB-CG2 4.49Å; W779-V818 HydrophobicContact CD2-CG2 4.16Å; W779-V818 HydrophobicContact CG-CG2 4.02Å
780	E	75.7	Confident	73.3	Confident	36 Å²	36	33.8 Å²	33.8	17%	0.168	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.2	172	-57.8	-168.3	139.5	0	0	111.2	S765 K766 E778 Q816 R817	S765-E780 CarbonylContact O-C 3.56Å; S765-E780 VanDerWaalsContact O-CA 3.26Å; S765-E780 WeakPolarHBondContact O-CA 3.26Å; K766-E780 HydrophobicContact CB-CG 4.23Å; K766-E780 HydrophobicContact CD-CG 4.3Å; K766-E780 WeakPolarHBondContact CD-OE1 3.4Å; K766-E780 WeakPolarHBondContact CE-OE1 3.46Å; K766-E780 HydrophobicContact CG-CG 4.01Å; K766-E780 IonicContact NZ-OE1 3.52Å; K766-E780 PolarHBondContact NZ-OE1 2.83Å; E778-E780 HydrophobicContact CG-CG 4.32Å; E780-Q816 CarbonylContact O-C 3.5Å; E780-Q816 WeakPolarHBondContact O-CA 3.25Å; E780-R817 HydrophobicContact CB-CB 4.36Å; E780-R817 PolarHBondContact N-O 3.09Å; E780-R817 PolarHBondContact O-N 2.89Å
781	T	71.2	Confident	72.4	Confident	6.66667 Å²	6.66667	32.4 Å²	32.4	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.1	170.3	66.2	0	0	0	0	109.3	W250 K764 S765 W779 S815 Q816	W250-T781 HydrophobicContact CZ2-CG2 4.39Å; K764-T781 CarbonylContact C-O 3.53Å; K764-T781 VanDerWaalsContact CA-O 3.3Å; K764-T781 WeakPolarHBondContact CA-O 3.41Å; S765-T781 WeakPolarHBondContact CB-OG1 3.32Å; S765-T781 PolarHBondContact N-O 3.09Å; S765-T781 PolarHBondContact O-N 2.69Å; S765-T781 PolarHBondContact O-OG1 2.99Å; S765-T781 PolarHBondContact OG-OG1 2.76Å; W779-T781 HydrophobicContact CD2-CG2 4.44Å; W779-T781 HydrophobicContact CZ2-CG2 4.1Å; T781-S815 CarbonylContact C-O 3.54Å; T781-S815 VanDerWaalsContact CA-O 3.32Å; T781-S815 WeakPolarHBondContact CA-O 3.43Å; T781-Q816 HydrophobicContact CG2-CB 4.14Å; T781-Q816 HydrophobicContact CG2-CG 3.99Å
782	N	71.2	Confident	71.7	Confident	19.6667 Å²	19.6667	32.8 Å²	32.8	11%	0.105	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.2	174.4	-65.1	-44.8	0	0	0	108.7	W763 K764 T814 S815	W763-N782 CarbonylContact O-C 3.54Å; W763-N782 WeakPolarHBondContact O-CA 3.39Å; K764-N782 WeakPolarHBondContact CB-OD1 3.45Å; K764-N782 VanDerWaalsContact CD-OD1 3.31Å; K764-N782 WeakPolarHBondContact CD-OD1 3.27Å; K764-N782 WeakPolarHBondContact CE-OD1 3.45Å; K764-N782 WeakPolarHBondContact CG-OD1 3.44Å; N782-T814 CarbonylContact O-C 3.54Å; N782-T814 VanDerWaalsContact O-CA 3.3Å; N782-T814 WeakPolarHBondContact O-CA 3.22Å; N782-S815 WeakPolarHBondContact CB-OG 3.45Å; N782-S815 PolarHBondContact N-O 2.96Å; N782-S815 PolarHBondContact O-N 3.08Å
783	V	69.6	Low	70.7	Confident	10.6667 Å²	10.6667	29.5 Å²	29.5	7%	0.065	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.9	174.4	-173.9	0	0	0	0	107.9	W250 W724 H761 L762 W763 Y813 T814	W250-V783 HydrophobicContact CE3-CG2 4.47Å; W250-V783 HydrophobicContact CH2-CB 4.43Å; W250-V783 HydrophobicContact CH2-CG2 3.01Å; W250-V783 HydrophobicContact CZ2-CG2 4.01Å; W250-V783 HydrophobicContact CZ3-CB 4.41Å; W250-V783 HydrophobicContact CZ3-CG1 4.29Å; W250-V783 HydrophobicContact CZ3-CG2 3.26Å; W724-V783 HydrophobicContact CH2-CG2 4.08Å; W724-V783 HydrophobicContact CZ2-CG2 4.39Å; W724-V783 HydrophobicContact CZ3-CG2 4.19Å; H761-V783 CarbonylContact C-O 3.55Å; H761-V783 WeakPolarHBondContact CA-O 3.2Å; L762-V783 HydrophobicContact CB-CB 4.21Å; L762-V783 HydrophobicContact CB-CG1 4.08Å; L762-V783 HydrophobicContact CD1-CG1 4.03Å; L762-V783 HydrophobicContact CG-CG1 4.15Å; L762-V783 PolarHBondContact N-O 3.12Å; W763-V783 HydrophobicContact CB-CB 4.1Å; W763-V783 HydrophobicContact CB-CG2 4.12Å; W763-V783 HydrophobicContact CE3-CG2 4.36Å; W763-V783 PolarHBondContact N-O 2.9Å; W763-V783 VanDerWaalsContact N-O 3.15Å; W763-V783 PolarHBondContact O-N 3.27Å; V783-Y813 CarbonylContact C-O 3.51Å; V783-Y813 WeakPolarHBondContact CA-O 3.3Å; V783-T814 HydrophobicContact CG1-CG2 4.22Å; V783-T814 HydrophobicContact CG2-CG2 4.02Å
784	I	72.8	Confident	69.9	Low	6.66667 Å²	6.66667	31.2 Å²	31.2	3%	0.034	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.7	179.9	-57.2	165.7	0	0	0	107.9	P325 F328 K760 H761 Y786 Y813	P325-I784 HydrophobicContact CB-CD1 3.54Å; P325-I784 WeakPolarHBondContact O-CD1 3.49Å; F328-I784 HydrophobicContact CB-CD1 4.15Å; F328-I784 HydrophobicContact CD1-CD1 3.62Å; F328-I784 HydrophobicContact CD1-CG1 3.99Å; F328-I784 HydrophobicContact CD1-CG2 3.96Å; F328-I784 HydrophobicContact CE1-CG1 4.44Å; F328-I784 HydrophobicContact CE1-CG2 4.1Å; F328-I784 HydrophobicContact CG-CD1 4.29Å; K760-I784 WeakPolarHBondContact O-CA 3.36Å; H761-I784 WeakPolarHBondContact CE1-CD1 3.47Å; H761-I784 VanDerWaalsContact CE1-CG1 3.45Å; H761-I784 WeakPolarHBondContact CE1-CG1 3.35Å; H761-I784 WeakPolarHBondContact ND1-CG1 3.38Å; I784-Y786 HydrophobicContact CB-CD2 4.45Å; I784-Y786 HydrophobicContact CB-CE2 4.16Å; I784-Y786 WeakPolarHBondContact CD1-OH 3.48Å; I784-Y786 HydrophobicContact CG2-CD1 4.37Å; I784-Y786 HydrophobicContact CG2-CD2 4Å; I784-Y786 HydrophobicContact CG2-CE1 3.86Å; I784-Y786 HydrophobicContact CG2-CE2 3.41Å; I784-Y786 VanDerWaalsContact CG2-CE2 3.43Å; I784-Y786 HydrophobicContact CG2-CG 4.46Å; I784-Y786 VanDerWaalsContact CG2-CZ 3.4Å; I784-Y813 HydrophobicContact CB-CD1 4.48Å; I784-Y813 HydrophobicContact CD1-CD1 4.14Å; I784-Y813 HydrophobicContact CG1-CD1 4.36Å; I784-Y813 PolarHBondContact N-O 3.33Å; I784-Y813 PolarHBondContact O-N 2.95Å; I784-Y813 VanDerWaalsContact O-O 3.13Å
785	S	72.4	Confident	68.9	Low	10 Å²	10	33.8 Å²	33.8	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.8	171	175.8	0	0	0	0	109.1	A759 K760 K811 F812	A759-S785 WeakPolarHBondContact CA-O 3.28Å; K760-S785 PolarHBondContact N-O 3.36Å; K760-S785 PolarHBondContact O-N 2.88Å; S785-K811 WeakPolarHBondContact CA-O 3.4Å; S785-F812 VanDerWaalsContact OG-CE1 3.23Å; S785-F812 WeakPolarHBondContact OG-CE1 3.19Å
786	Y	72.8	Confident	67.6	Low	47.3333 Å²	47.3333	33.5 Å²	33.5	19%	0.186	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.6	166.1	-58.4	-83.9	0	0	0	107.8	F328 F362 H758 A759 I784 S810 K811 Y813	F328-Y786 WeakPolarHBondContact CB-OH 3.33Å; F328-Y786 HydrophobicContact CD2-CE1 4.08Å; F328-Y786 WeakPolarHBondContact CD2-OH 3.42Å; F328-Y786 AromaticContact CE2-CE1 3.97Å; F328-Y786 HydrophobicContact CE2-CE1 3.97Å; F328-Y786 WeakPolarHBondContact CG-OH 3.4Å; F328-Y786 HydrophobicContact CZ-CE1 4.36Å; F362-Y786 HydrophobicContact CE2-CD1 4.19Å; F362-Y786 AromaticContact CE2-CE1 3.75Å; F362-Y786 HydrophobicContact CE2-CE1 3.75Å; F362-Y786 HydrophobicContact CZ-CE1 4.47Å; H758-Y786 CarbonylContact O-C 3.54Å; H758-Y786 WeakPolarHBondContact O-CA 3.3Å; A759-Y786 HydrophobicContact CB-CD1 3.5Å; A759-Y786 VanDerWaalsContact CB-CD1 3.45Å; A759-Y786 HydrophobicContact CB-CE1 3.66Å; A759-Y786 VanDerWaalsContact CB-CE1 3.44Å; A759-Y786 HydrophobicContact CB-CG 4.42Å; I784-Y786 HydrophobicContact CB-CD2 4.45Å; I784-Y786 HydrophobicContact CB-CE2 4.16Å; I784-Y786 WeakPolarHBondContact CD1-OH 3.48Å; I784-Y786 HydrophobicContact CG2-CD1 4.37Å; I784-Y786 HydrophobicContact CG2-CD2 4Å; I784-Y786 HydrophobicContact CG2-CE1 3.86Å; I784-Y786 HydrophobicContact CG2-CE2 3.41Å; I784-Y786 VanDerWaalsContact CG2-CE2 3.43Å; I784-Y786 HydrophobicContact CG2-CG 4.46Å; I784-Y786 VanDerWaalsContact CG2-CZ 3.4Å; Y786-S810 CarbonylContact O-C 3.4Å; Y786-S810 VanDerWaalsContact O-CA 3.31Å; Y786-S810 WeakPolarHBondContact O-CA 3.37Å; Y786-K811 HydrophobicContact CD2-CB 4.44Å; Y786-K811 HydrophobicContact CD2-CD 4.46Å; Y786-K811 HydrophobicContact CD2-CG 4.3Å; Y786-K811 PolarHBondContact N-O 3.08Å; Y786-K811 PolarHBondContact O-N 3.22Å; Y786-Y813 AromaticContact CD2-CD2 3.56Å; Y786-Y813 HydrophobicContact CD2-CD2 3.56Å; Y786-Y813 VanDerWaalsContact CD2-CD2 3.49Å; Y786-Y813 AromaticContact CD2-CE2 3.55Å; Y786-Y813 HydrophobicContact CD2-CE2 3.55Å; Y786-Y813 VanDerWaalsContact CD2-CE2 3.45Å; Y786-Y813 AromaticContact CE2-CD2 3.72Å; Y786-Y813 HydrophobicContact CE2-CD2 3.72Å; Y786-Y813 AromaticContact CE2-CE2 3.83Å; Y786-Y813 HydrophobicContact CE2-CE2 3.83Å; Y786-Y813 HydrophobicContact CE2-CG 4.42Å; Y786-Y813 HydrophobicContact CG-CE2 4.4Å
787	M	66.1	Low	66.2	Low	41 Å²	41	38.3 Å²	38.3	20%	0.202	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.6	174.4	-174.6	177	76.3	0	0	107.1	W742 L756 N757 H758 H808 K809	W742-M787 HydrophobicContact CE3-CE 3.9Å; W742-M787 HydrophobicContact CH2-CE 4.24Å; W742-M787 HydrophobicContact CZ3-CE 3.43Å; W742-M787 VanDerWaalsContact CZ3-CE 3.43Å; L756-M787 HydrophobicContact CB-CE 4.33Å; N757-M787 CarbonylContact C-O 3.47Å; N757-M787 WeakPolarHBondContact CA-O 3.43Å; H758-M787 HydrophobicContact CB-CB 4.43Å; H758-M787 HydrophobicContact CB-CE 4.07Å; H758-M787 PolarHBondContact N-O 3.18Å; H758-M787 PolarHBondContact O-N 2.8Å; M787-H808 VanDerWaalsContact CG-CE1 3.46Å; M787-H808 WeakPolarHBondContact CG-CE1 3.44Å; M787-K809 CarbonylContact C-O 3.47Å; M787-K809 WeakPolarHBondContact CA-O 3.45Å
788	N	67.6	Low	64.8	Low	61.6667 Å²	61.6667	41.5 Å²	41.5	33%	0.33	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.1	166.3	-177.7	-19.2	0	0	0	106.7	L756 N757 H808 K809	L756-N788 CarbonylContact O-C 3.47Å; L756-N788 VanDerWaalsContact O-CA 3.31Å; L756-N788 WeakPolarHBondContact O-CA 3.39Å; N757-N788 WeakPolarHBondContact OD1-CA 3.46Å; N757-N788 WeakPolarHBondContact OD1-CB 3.3Å; N757-N788 PolarHBondContact OD1-ND2 3.09Å; N757-N788 VanDerWaalsContact OD1-ND2 3.13Å; N757-N788 PolarHBondContact OD1-OD1 3.14Å; N788-H808 CarbonylContact O-C 3.49Å; N788-H808 WeakPolarHBondContact O-CA 3.41Å; N788-K809 CarbonylContact C-O 3.55Å; N788-K809 PolarHBondContact N-O 3.16Å; N788-K809 CarbonylContact O-C 3.44Å; N788-K809 WeakPolarHBondContact O-CA 3.13Å; N788-K809 PolarHBondContact O-N 3.23Å; N788-K809 VanDerWaalsContact O-O 3.08Å
789	S	62.6	Low	63.3	Low	17.3333 Å²	17.3333	44.5 Å²	44.5	12%	0.121	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.9	172.5	-4.2	0	0	0	0	108.5	E755 L756 N807 H808	E755-S789 WeakPolarHBondContact CA-O 3.42Å; L756-S789 WeakPolarHBondContact CB-O 3.43Å; L756-S789 WeakPolarHBondContact CB-OG 3.22Å; L756-S789 PolarHBondContact N-O 3.08Å; L756-S789 PolarHBondContact O-N 2.95Å; L756-S789 VanDerWaalsContact O-N 3.08Å; S789-N807 CarbonylContact C-O 3.53Å; S789-N807 WeakPolarHBondContact CA-O 3.37Å; S789-H808 WeakPolarHBondContact CB-ND1 3.47Å; S789-H808 PolarHBondContact OG-ND1 2.8Å
790	Y	65.2	Low	62.4	Low	71.3333 Å²	71.3333	47.7 Å²	47.7	28%	0.28	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.7	173.1	177.1	-89.4	0	0	0	108.1	P753 I754 E755 N792 F805 I806 N807	P753-Y790 HydrophobicContact CB-CD2 3.79Å; P753-Y790 HydrophobicContact CB-CE1 4.07Å; P753-Y790 HydrophobicContact CB-CE2 3.34Å; P753-Y790 HydrophobicContact CB-CG 4.29Å; P753-Y790 VanDerWaalsContact CB-OH 3.28Å; P753-Y790 WeakPolarHBondContact CB-OH 3.22Å; P753-Y790 HydrophobicContact CG-CD2 4.08Å; P753-Y790 HydrophobicContact CG-CE2 3.63Å; I754-Y790 CarbonylContact O-C 3.41Å; I754-Y790 WeakPolarHBondContact O-CA 3.26Å; E755-Y790 HydrophobicContact CB-CD2 4.13Å; E755-Y790 HydrophobicContact CG-CD2 4.16Å; E755-Y790 HydrophobicContact CG-CE2 4.45Å; Y790-N792 HydrophobicContact CD1-CB 4.37Å; Y790-N792 HydrophobicContact CE1-CB 3.57Å; Y790-N792 WeakPolarHBondContact OH-CB 3.41Å; Y790-N792 PolarHBondContact OH-ND2 3.23Å; Y790-F805 AromaticContact CD1-CD1 3.81Å; Y790-F805 HydrophobicContact CD1-CD1 3.93Å; Y790-F805 AromaticContact CD1-CE1 3.82Å; Y790-F805 HydrophobicContact CD1-CE1 3.82Å; Y790-F805 AromaticContact CE1-CD1 3.82Å; Y790-F805 HydrophobicContact CE1-CD1 3.82Å; Y790-F805 AromaticContact CE1-CE1 3.87Å; Y790-F805 HydrophobicContact CE1-CE1 3.87Å; Y790-I806 CarbonylContact O-C 3.5Å; Y790-I806 WeakPolarHBondContact O-CA 3.31Å; Y790-N807 HydrophobicContact CD1-CB 4.31Å; Y790-N807 PolarHBondContact N-O 2.92Å; Y790-N807 CarbonylContact O-C 3.03Å; Y790-N807 WeakPolarHBondContact O-CA 3.48Å; Y790-N807 PolarHBondContact O-N 3.15Å; Y790-N807 VanDerWaalsContact O-O 3.12Å
791	M	57.1	Low	61.3	Low	35.6667 Å²	35.6667	49.4 Å²	49.4	18%	0.176	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.7	172.9	-176.6	-179	81.1	0	0	109.2	W742 F743 P753 I754 L804 F805 I806	W742-M791 HydrophobicContact CD2-CE 3.39Å; W742-M791 HydrophobicContact CE3-CE 3.1Å; W742-M791 HydrophobicContact CE3-SD 3.82Å; W742-M791 HydrophobicContact CG-CE 4.23Å; W742-M791 HydrophobicContact CH2-CE 3.8Å; W742-M791 VanDerWaalsContact CH2-CE 3.49Å; W742-M791 HydrophobicContact CH2-SD 4.01Å; W742-M791 HydrophobicContact CZ2-CE 3.72Å; W742-M791 HydrophobicContact CZ3-CE 3.14Å; W742-M791 HydrophobicContact CZ3-SD 3.44Å; W742-M791 WeakPolarHBondContact CZ3-SD 3.26Å; F743-M791 HydrophobicContact CD1-CE 3.91Å; F743-M791 HydrophobicContact CE1-CB 4.46Å; F743-M791 HydrophobicContact CE1-CE 4Å; F743-M791 HydrophobicContact CE1-SD 4.09Å; P753-M791 CarbonylContact C-O 3.45Å; P753-M791 WeakPolarHBondContact CA-O 3.46Å; I754-M791 HydrophobicContact CB-CB 4.47Å; I754-M791 HydrophobicContact CB-CE 4.34Å; I754-M791 HydrophobicContact CD1-CE 3.71Å; I754-M791 VanDerWaalsContact CD1-CE 3.48Å; I754-M791 HydrophobicContact CG1-CE 4.17Å; I754-M791 PolarHBondContact N-O 3.3Å; I754-M791 PolarHBondContact O-N 3.14Å; I754-M791 VanDerWaalsContact O-N 3.13Å; M791-L804 HydrophobicContact CE-CD1 4.42Å; M791-L804 HydrophobicContact CG-CD1 3.91Å; M791-L804 HydrophobicContact CG-CG 4.46Å; M791-L804 HydrophobicContact SD-CD1 4.09Å; M791-F805 CarbonylContact C-O 3.46Å; M791-F805 WeakPolarHBondContact CA-O 3.28Å; M791-I806 HydrophobicContact CG-CG1 3.89Å; M791-I806 HydrophobicContact SD-CG1 4.28Å
792	N	63.4	Low	60.6	Low	34.6667 Å²	34.6667	51.1 Å²	51.1	19%	0.185	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.5	175.3	-169.7	19.6	0	0	0	109.5	P753 Y790 L804 F805	P753-N792 HydrophobicContact CB-CB 4.22Å; Y790-N792 HydrophobicContact CD1-CB 4.37Å; Y790-N792 HydrophobicContact CE1-CB 3.57Å; Y790-N792 WeakPolarHBondContact OH-CB 3.41Å; Y790-N792 PolarHBondContact OH-ND2 3.23Å; N792-L804 CarbonylContact O-C 3.41Å; N792-L804 WeakPolarHBondContact O-CA 3.5Å; N792-F805 HydrophobicContact CB-CD1 4.45Å; N792-F805 PolarHBondContact N-O 3.29Å; N792-F805 CarbonylContact O-C 3.57Å; N792-F805 WeakPolarHBondContact O-CA 3.29Å; N792-F805 WeakPolarHBondContact O-CB 3.29Å; N792-F805 PolarHBondContact O-N 3.19Å; N792-F805 VanDerWaalsContact O-O 3.07Å
793	S	57.6	Low	59.7	Low	12 Å²	12	51.6 Å²	51.6	8%	0.084	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.8	173.5	84	0	0	0	0	109.2	W750 S751 Y795 F802 S803	W750-S793 CarbonylContact O-C 3.54Å; W750-S793 WeakPolarHBondContact O-CB 3.01Å; W750-S793 VanDerWaalsContact O-O 3.1Å; W750-S793 PolarHBondContact O-OG 3.26Å; S751-S793 WeakPolarHBondContact CA-O 3.48Å; S751-S793 PolarHBondContact OG-N 3.19Å; S751-S793 PolarHBondContact OG-O 3.07Å; S751-S793 PolarHBondContact OG-OG 2.02Å; S793-Y795 WeakPolarHBondContact OG-CE2 3.41Å; S793-Y795 VanDerWaalsContact OG-CZ 3.26Å; S793-Y795 PolarHBondContact OG-OH 2.8Å; S793-F802 VanDerWaalsContact OG-CE2 3.29Å; S793-F802 WeakPolarHBondContact OG-CE2 3.15Å; S793-S803 CarbonylContact C-O 3.5Å; S793-S803 VanDerWaalsContact CA-O 3.27Å; S793-S803 WeakPolarHBondContact CA-O 3.22Å; S793-S803 WeakPolarHBondContact CB-O 3.27Å
794	V	58.5	Low	59.3	Low	79.6667 Å²	79.6667	52.3 Å²	52.3	48%	0.483	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.9	173	-176.4	0	0	0	0	107.5	F802 S803	V794-F802 CarbonylContact O-C 3.52Å; V794-F802 WeakPolarHBondContact O-CA 3.09Å; V794-S803 WeakPolarHBondContact CB-OG 3.19Å; V794-S803 PolarHBondContact N-O 3.1Å; V794-S803 PolarHBondContact O-N 3.23Å; V794-S803 VanDerWaalsContact O-N 3.12Å; V794-S803 PolarHBondContact O-OG 3.05Å
795	Y	52.8	Low	58.7	Low	86 Å²	86	55.2 Å²	55.2	34%	0.337	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128	173.5	-109	-93.2	0	0	0	109.3	W742 F743 S793 L797 Y800 Q801 F802	W742-Y795 HydrophobicContact CB-CE1 4.41Å; F743-Y795 HydrophobicContact CD1-CE2 4.17Å; S793-Y795 WeakPolarHBondContact OG-CE2 3.41Å; S793-Y795 VanDerWaalsContact OG-CZ 3.26Å; S793-Y795 PolarHBondContact OG-OH 2.8Å; Y795-L797 HydrophobicContact CD1-CG 4.37Å; Y795-L797 HydrophobicContact CE1-CD1 4.42Å; Y795-L797 HydrophobicContact CE1-CD2 3.42Å; Y795-L797 VanDerWaalsContact CE1-CD2 3.42Å; Y795-L797 HydrophobicContact CE1-CG 3.6Å; Y795-L797 WeakPolarHBondContact OH-CD2 3.43Å; Y795-Y800 HydrophobicContact CE2-CD1 4.46Å; Y795-Y800 WeakPolarHBondContact OH-CD1 3.49Å; Y795-Y800 WeakPolarHBondContact OH-CE1 3.23Å; Y795-Q801 CarbonylContact C-O 3.45Å; Y795-Q801 VanDerWaalsContact CA-O 3.23Å; Y795-Q801 WeakPolarHBondContact CA-O 3.45Å; Y795-F802 AromaticContact CD1-CD2 3.91Å; Y795-F802 HydrophobicContact CD1-CD2 3.91Å; Y795-F802 HydrophobicContact CD1-CE2 4.49Å; Y795-F802 HydrophobicContact CD2-CB 4.21Å; Y795-F802 AromaticContact CD2-CD2 3.75Å; Y795-F802 HydrophobicContact CD2-CD2 3.99Å; Y795-F802 HydrophobicContact CD2-CE2 4.05Å; Y795-F802 AromaticContact CE1-CD2 3.44Å; Y795-F802 HydrophobicContact CE1-CD2 3.84Å; Y795-F802 VanDerWaalsContact CE1-CD2 3.44Å; Y795-F802 AromaticContact CE1-CE2 3.63Å; Y795-F802 HydrophobicContact CE1-CE2 3.63Å; Y795-F802 AromaticContact CE2-CD2 3.36Å; Y795-F802 HydrophobicContact CE2-CD2 3.36Å; Y795-F802 AromaticContact CE2-CE2 3.63Å; Y795-F802 HydrophobicContact CE2-CE2 3.63Å; Y795-F802 HydrophobicContact CG-CD2 4.35Å; Y795-F802 AromaticContact CZ-CD2 3.64Å; Y795-F802 AromaticContact CZ-CE2 3.93Å
796	S	52.7	Low	58.2	Low	43 Å²	43	56.9 Å²	56.9	30%	0.301	29%	0.288	S	S	.	.			trans	-93.6	160.8	167.3	87.9	0	0	0	0	109.9	N798 P799 Y800 Q801	S796-N798 PolarHBondContact O-N 2.8Å; S796-N798 VanDerWaalsContact O-N 3.07Å; S796-N798 PolarHBondContact OG-N 3.28Å; S796-N798 PolarHBondContact OG-O 2.92Å; S796-P799 CarbonylContact C-O 3.56Å; S796-P799 VanDerWaalsContact O-O 3.12Å; S796-P799 PolarHBondContact OG-O 2.88Å; S796-Y800 CarbonylContact O-C 3.55Å; S796-Y800 WeakPolarHBondContact O-CA 3.17Å; S796-Q801 PolarHBondContact N-O 2.85Å; S796-Q801 PolarHBondContact O-N 3.04Å; S796-Q801 VanDerWaalsContact OG-CB 3.24Å; S796-Q801 WeakPolarHBondContact OG-CB 3.36Å; S796-Q801 PolarHBondContact OG-N 3.09Å; S796-Q801 PolarHBondContact OG-OE1 3.15Å
797	L	48.2	Very low	57.9	Low	125.333 Å²	125.333	56.5 Å²	56.5	66%	0.656	29%	0.289	S	S	*	.	S	Bend	trans	-68.8	-19.5	175.9	-75	164.8	0	0	0	113.3	K747 T748 Y795 P799 Y800	K747-L797 HydrophobicContact CD-CD2 4.21Å; T748-L797 HydrophobicContact CG2-CD2 3.82Å; T748-L797 HydrophobicContact CG2-CG 3.83Å; Y795-L797 HydrophobicContact CD1-CG 4.37Å; Y795-L797 HydrophobicContact CE1-CD1 4.42Å; Y795-L797 HydrophobicContact CE1-CD2 3.42Å; Y795-L797 VanDerWaalsContact CE1-CD2 3.42Å; Y795-L797 HydrophobicContact CE1-CG 3.6Å; Y795-L797 WeakPolarHBondContact OH-CD2 3.43Å; L797-P799 CarbonylContact C-O 3.53Å; L797-Y800 HydrophobicContact CD2-CD1 3.87Å; L797-Y800 HydrophobicContact CD2-CE1 3.33Å
798	N	50.5	Low	58.2	Low	83 Å²	83	56.6 Å²	56.6	44%	0.444	29%	0.289	S	S	.	.	S	Bend	trans	-104.7	111.2	175.5	-150.7	-10.2	0	0	0	110.1	S796 Y800 Q801 L848	S796-N798 PolarHBondContact O-N 2.8Å; S796-N798 VanDerWaalsContact O-N 3.07Å; S796-N798 PolarHBondContact OG-N 3.28Å; S796-N798 PolarHBondContact OG-O 2.92Å; N798-Y800 PolarHBondContact O-N 3.32Å; N798-Y800 VanDerWaalsContact OD1-CB 3.32Å; N798-Y800 WeakPolarHBondContact OD1-CB 3.37Å; N798-Y800 VanDerWaalsContact OD1-CD2 3.22Å; N798-Y800 WeakPolarHBondContact OD1-CD2 3.26Å; N798-Y800 PolarHBondContact OD1-N 3.24Å; N798-Q801 HydrophobicContact CB-CB 4.4Å; N798-Q801 HydrophobicContact CB-CG 4.25Å; N798-Q801 PolarHBondContact O-N 3Å; N798-L848 PolarHBondContact ND2-O 3.19Å
799	P	48.5	Very low	58.2	Low	74 Å²	74	58.2 Å²	58.2	48%	0.481	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.8	-168.6	22.4	-25	0	0	0	112.8	S796 L797 Q801 D851	S796-P799 CarbonylContact C-O 3.56Å; S796-P799 VanDerWaalsContact O-O 3.12Å; S796-P799 PolarHBondContact OG-O 2.88Å; L797-P799 CarbonylContact C-O 3.53Å; P799-Q801 VanDerWaalsContact C-N 3.33Å; P799-Q801 PolarHBondContact O-N 3.4Å; P799-D851 HydrophobicContact CB-CB 4.14Å; P799-D851 WeakPolarHBondContact CB-OD1 3.43Å; P799-D851 WeakPolarHBondContact CG-OD1 3.46Å
800	Y	54.2	Low	58.5	Low	99.6667 Å²	99.6667	58 Å²	58	39%	0.391	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	27	179.2	-63.4	-68.7	0	0	0	112.4	T691 Y795 S796 L797 N798 F846 L848 A849 T850	T691-Y800 WeakPolarHBondContact CG2-OH 3.31Å; Y795-Y800 HydrophobicContact CE2-CD1 4.46Å; Y795-Y800 WeakPolarHBondContact OH-CD1 3.49Å; Y795-Y800 WeakPolarHBondContact OH-CE1 3.23Å; S796-Y800 CarbonylContact O-C 3.55Å; S796-Y800 WeakPolarHBondContact O-CA 3.17Å; L797-Y800 HydrophobicContact CD2-CD1 3.87Å; L797-Y800 HydrophobicContact CD2-CE1 3.33Å; N798-Y800 PolarHBondContact O-N 3.32Å; N798-Y800 VanDerWaalsContact OD1-CB 3.32Å; N798-Y800 WeakPolarHBondContact OD1-CB 3.37Å; N798-Y800 VanDerWaalsContact OD1-CD2 3.22Å; N798-Y800 WeakPolarHBondContact OD1-CD2 3.26Å; N798-Y800 PolarHBondContact OD1-N 3.24Å; Y800-F846 WeakPolarHBondContact O-CD1 3.07Å; Y800-L848 CarbonylContact C-O 3.56Å; Y800-L848 WeakPolarHBondContact CB-O 3.44Å; Y800-L848 HydrophobicContact CD1-CD2 3.81Å; Y800-L848 HydrophobicContact CE1-CD2 4.41Å; Y800-L848 HydrophobicContact CG-CD2 4.22Å; Y800-L848 HydrophobicContact CG-CG 4.43Å; Y800-L848 PolarHBondContact O-N 3.04Å; Y800-A849 CarbonylContact O-C 3.46Å; Y800-T850 WeakPolarHBondContact CB-O 3.35Å; Y800-T850 WeakPolarHBondContact CB-OG1 3.49Å; Y800-T850 PolarHBondContact N-O 3.03Å; Y800-T850 PolarHBondContact O-N 3.31Å
801	Q	52.9	Low	58.8	Low	71.5 Å²	71.5	57.6 Å²	57.6	33%	0.334	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	113.1	176	-91.3	-179.1	-2.5	0	0	110.3	Y795 S796 N798 P799 F846 K847 A849	Y795-Q801 CarbonylContact C-O 3.45Å; Y795-Q801 VanDerWaalsContact CA-O 3.23Å; Y795-Q801 WeakPolarHBondContact CA-O 3.45Å; S796-Q801 PolarHBondContact N-O 2.85Å; S796-Q801 PolarHBondContact O-N 3.04Å; S796-Q801 VanDerWaalsContact OG-CB 3.24Å; S796-Q801 WeakPolarHBondContact OG-CB 3.36Å; S796-Q801 PolarHBondContact OG-N 3.09Å; S796-Q801 PolarHBondContact OG-OE1 3.15Å; N798-Q801 HydrophobicContact CB-CB 4.4Å; N798-Q801 HydrophobicContact CB-CG 4.25Å; N798-Q801 PolarHBondContact O-N 3Å; P799-Q801 VanDerWaalsContact C-N 3.33Å; P799-Q801 PolarHBondContact O-N 3.4Å; Q801-F846 WeakPolarHBondContact CA-O 3.37Å; Q801-K847 HydrophobicContact CG-CB 4.21Å; Q801-K847 HydrophobicContact CG-CD 4.17Å; Q801-K847 HydrophobicContact CG-CG 3.86Å; Q801-A849 HydrophobicContact CB-CB 4.19Å; Q801-A849 HydrophobicContact CG-CB 4.12Å
802	F	55.4	Low	59.3	Low	42.25 Å²	42.25	58.8 Å²	58.8	19%	0.185	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.7	177.5	174.7	-107.2	0	0	0	109.9	F743 W750 S793 V794 Y795 L804 S845 F846 K847 L848	F743-F802 HydrophobicContact CD1-CD2 4.45Å; F743-F802 AromaticContact CD1-CE2 3.89Å; F743-F802 HydrophobicContact CD1-CE2 3.89Å; F743-F802 HydrophobicContact CD1-CZ 4.02Å; F743-F802 HydrophobicContact CE1-CD1 4.45Å; F743-F802 HydrophobicContact CE1-CD2 4.39Å; F743-F802 AromaticContact CE1-CE1 3.73Å; F743-F802 HydrophobicContact CE1-CE1 3.73Å; F743-F802 AromaticContact CE1-CE2 3.67Å; F743-F802 HydrophobicContact CE1-CE2 3.67Å; F743-F802 AromaticContact CE1-CZ 3.3Å; F743-F802 HydrophobicContact CE1-CZ 3.3Å; F743-F802 HydrophobicContact CZ-CZ 4.18Å; W750-F802 HydrophobicContact CE3-CE2 4.42Å; S793-F802 VanDerWaalsContact OG-CE2 3.29Å; S793-F802 WeakPolarHBondContact OG-CE2 3.15Å; V794-F802 CarbonylContact O-C 3.52Å; V794-F802 WeakPolarHBondContact O-CA 3.09Å; Y795-F802 AromaticContact CD1-CD2 3.91Å; Y795-F802 HydrophobicContact CD1-CD2 3.91Å; Y795-F802 HydrophobicContact CD1-CE2 4.49Å; Y795-F802 HydrophobicContact CD2-CB 4.21Å; Y795-F802 AromaticContact CD2-CD2 3.75Å; Y795-F802 HydrophobicContact CD2-CD2 3.99Å; Y795-F802 HydrophobicContact CD2-CE2 4.05Å; Y795-F802 AromaticContact CE1-CD2 3.44Å; Y795-F802 HydrophobicContact CE1-CD2 3.84Å; Y795-F802 VanDerWaalsContact CE1-CD2 3.44Å; Y795-F802 AromaticContact CE1-CE2 3.63Å; Y795-F802 HydrophobicContact CE1-CE2 3.63Å; Y795-F802 AromaticContact CE2-CD2 3.36Å; Y795-F802 HydrophobicContact CE2-CD2 3.36Å; Y795-F802 AromaticContact CE2-CE2 3.63Å; Y795-F802 HydrophobicContact CE2-CE2 3.63Å; Y795-F802 HydrophobicContact CG-CD2 4.35Å; Y795-F802 AromaticContact CZ-CD2 3.64Å; Y795-F802 AromaticContact CZ-CE2 3.93Å; F802-L804 HydrophobicContact CD1-CB 4.48Å; F802-L804 HydrophobicContact CE1-CB 3.58Å; F802-L804 HydrophobicContact CE1-CD2 4.33Å; F802-L804 HydrophobicContact CE1-CG 4.47Å; F802-L804 HydrophobicContact CE2-CB 4.28Å; F802-L804 HydrophobicContact CZ-CB 3.62Å; F802-L804 VanDerWaalsContact CZ-CB 3.48Å; F802-L804 HydrophobicContact CZ-CD1 4.21Å; F802-L804 HydrophobicContact CZ-CD2 4.2Å; F802-L804 HydrophobicContact CZ-CG 4.27Å; F802-S845 WeakPolarHBondContact O-CA 3.26Å; F802-F846 AromaticContact CD1-CD1 3.73Å; F802-F846 HydrophobicContact CD1-CD1 3.73Å; F802-F846 AromaticContact CD1-CE1 3.74Å; F802-F846 HydrophobicContact CD1-CE1 3.74Å; F802-F846 AromaticContact CE1-CD1 3.65Å; F802-F846 HydrophobicContact CE1-CD1 3.65Å; F802-F846 AromaticContact CE1-CE1 3.88Å; F802-F846 HydrophobicContact CE1-CE1 3.88Å; F802-F846 PolarHBondContact N-O 2.99Å; F802-F846 PolarHBondContact O-N 3.06Å; F802-K847 CarbonylContact O-C 3.54Å; F802-K847 WeakPolarHBondContact O-CA 3.37Å; F802-L848 HydrophobicContact CB-CB 4.45Å; F802-L848 PolarHBondContact N-O 3.06Å; F802-L848 PolarHBondContact O-N 3.13Å
803	S	53.8	Low	59.9	Low	31 Å²	31	58.6 Å²	58.6	22%	0.217	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.2	168.4	66.5	0	0	0	0	110.1	S793 V794 N844 F846	S793-S803 CarbonylContact C-O 3.5Å; S793-S803 VanDerWaalsContact CA-O 3.27Å; S793-S803 WeakPolarHBondContact CA-O 3.22Å; S793-S803 WeakPolarHBondContact CB-O 3.27Å; V794-S803 WeakPolarHBondContact CB-OG 3.19Å; V794-S803 PolarHBondContact N-O 3.1Å; V794-S803 PolarHBondContact O-N 3.23Å; V794-S803 VanDerWaalsContact O-N 3.12Å; V794-S803 PolarHBondContact O-OG 3.05Å; S803-N844 WeakPolarHBondContact CA-O 3.32Å; S803-F846 CarbonylContact C-O 3.49Å; S803-F846 WeakPolarHBondContact CA-O 3.44Å
804	L	60.3	Low	60.6	Low	25.75 Å²	25.75	58.7 Å²	58.7	14%	0.135	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.9	179	-178.3	65.7	0	0	0	109.1	F684 M791 N792 F802 I806 N844 S845 F846	F684-L804 HydrophobicContact CZ-CD2 4.03Å; M791-L804 HydrophobicContact CE-CD1 4.42Å; M791-L804 HydrophobicContact CG-CD1 3.91Å; M791-L804 HydrophobicContact CG-CG 4.46Å; M791-L804 HydrophobicContact SD-CD1 4.09Å; N792-L804 CarbonylContact O-C 3.41Å; N792-L804 WeakPolarHBondContact O-CA 3.5Å; F802-L804 HydrophobicContact CD1-CB 4.48Å; F802-L804 HydrophobicContact CE1-CB 3.58Å; F802-L804 HydrophobicContact CE1-CD2 4.33Å; F802-L804 HydrophobicContact CE1-CG 4.47Å; F802-L804 HydrophobicContact CE2-CB 4.28Å; F802-L804 HydrophobicContact CZ-CB 3.62Å; F802-L804 VanDerWaalsContact CZ-CB 3.48Å; F802-L804 HydrophobicContact CZ-CD1 4.21Å; F802-L804 HydrophobicContact CZ-CD2 4.2Å; F802-L804 HydrophobicContact CZ-CG 4.27Å; L804-I806 HydrophobicContact CD1-CD1 4.14Å; L804-I806 HydrophobicContact CD1-CG1 4.11Å; L804-I806 HydrophobicContact CD2-CD1 3.77Å; L804-I806 HydrophobicContact CD2-CG1 4.17Å; L804-I806 HydrophobicContact CG-CD1 4.14Å; L804-I806 HydrophobicContact CG-CG1 3.98Å; L804-N844 PolarHBondContact N-O 3.17Å; L804-N844 PolarHBondContact O-N 3.15Å; L804-S845 CarbonylContact O-C 3.6Å; L804-S845 VanDerWaalsContact O-CA 3.25Å; L804-S845 WeakPolarHBondContact O-CA 3.42Å; L804-F846 HydrophobicContact CB-CB 4.35Å; L804-F846 PolarHBondContact N-O 3.07Å; L804-F846 PolarHBondContact O-N 2.8Å
805	F	60.2	Low	61.5	Low	67.5 Å²	67.5	55.7 Å²	55.7	30%	0.296	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.9	174.1	-155.6	-92.4	0	0	0	109.1	Y790 M791 N792 N807 H841 N843 K847	Y790-F805 AromaticContact CD1-CD1 3.81Å; Y790-F805 HydrophobicContact CD1-CD1 3.93Å; Y790-F805 AromaticContact CD1-CE1 3.82Å; Y790-F805 HydrophobicContact CD1-CE1 3.82Å; Y790-F805 AromaticContact CE1-CD1 3.82Å; Y790-F805 HydrophobicContact CE1-CD1 3.82Å; Y790-F805 AromaticContact CE1-CE1 3.87Å; Y790-F805 HydrophobicContact CE1-CE1 3.87Å; M791-F805 CarbonylContact C-O 3.46Å; M791-F805 WeakPolarHBondContact CA-O 3.28Å; N792-F805 HydrophobicContact CB-CD1 4.45Å; N792-F805 PolarHBondContact N-O 3.29Å; N792-F805 CarbonylContact O-C 3.57Å; N792-F805 WeakPolarHBondContact O-CA 3.29Å; N792-F805 WeakPolarHBondContact O-CB 3.29Å; N792-F805 PolarHBondContact O-N 3.19Å; N792-F805 VanDerWaalsContact O-O 3.07Å; F805-N807 HydrophobicContact CD1-CB 4.34Å; F805-N807 HydrophobicContact CE1-CB 3.75Å; F805-N807 HydrophobicContact CZ-CB 4.14Å; F805-H841 AromaticContact CD2-CE1 3.99Å; F805-H841 AromaticContact CE2-CE1 3.23Å; F805-H841 VanDerWaalsContact CE2-CE1 3.43Å; F805-H841 WeakPolarHBondContact CE2-CE1 3.37Å; F805-H841 AromaticContact CE2-ND1 3.9Å; F805-H841 AromaticContact CE2-NE2 3.7Å; F805-H841 AromaticContact CZ-CE1 3.51Å; F805-H841 WeakPolarHBondContact CZ-CE1 3.46Å; F805-H841 AromaticContact CZ-ND1 3.81Å; F805-N843 WeakPolarHBondContact CZ-OD1 3.4Å; F805-K847 HydrophobicContact CZ-CD 4.44Å
806	I	61.1	Low	62.6	Low	46 Å²	46	53.2 Å²	53.2	24%	0.236	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.6	175.4	-60.1	166.7	0	0	0	108.2	Y790 M791 L804 F840 H841 V842 N843 N844	Y790-I806 CarbonylContact O-C 3.5Å; Y790-I806 WeakPolarHBondContact O-CA 3.31Å; M791-I806 HydrophobicContact CG-CG1 3.89Å; M791-I806 HydrophobicContact SD-CG1 4.28Å; L804-I806 HydrophobicContact CD1-CD1 4.14Å; L804-I806 HydrophobicContact CD1-CG1 4.11Å; L804-I806 HydrophobicContact CD2-CD1 3.77Å; L804-I806 HydrophobicContact CD2-CG1 4.17Å; L804-I806 HydrophobicContact CG-CD1 4.14Å; L804-I806 HydrophobicContact CG-CG1 3.98Å; I806-F840 HydrophobicContact CG2-CD1 4.27Å; I806-F840 HydrophobicContact CG2-CE1 4.32Å; I806-H841 CarbonylContact O-C 3.56Å; I806-H841 WeakPolarHBondContact O-CA 3.45Å; I806-V842 HydrophobicContact CB-CB 4.36Å; I806-V842 PolarHBondContact N-O 2.71Å; I806-V842 PolarHBondContact O-N 2.83Å; I806-N843 CarbonylContact O-C 3.53Å; I806-N843 WeakPolarHBondContact O-CA 3.46Å; I806-N844 CarbonylContact C-O 3.52Å; I806-N844 HydrophobicContact CB-CB 4.34Å; I806-N844 PolarHBondContact N-O 3.16Å; I806-N844 PolarHBondContact O-N 3.04Å; I806-N844 VanDerWaalsContact O-O 3.12Å
807	N	68.2	Low	63.8	Low	37.5 Å²	37.5	54.3 Å²	54.3	20%	0.201	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	104.5	171.2	-172.2	-2.6	0	0	0	109.2	S789 Y790 F805 H841 V842 Y868	S789-N807 CarbonylContact C-O 3.53Å; S789-N807 WeakPolarHBondContact CA-O 3.37Å; Y790-N807 HydrophobicContact CD1-CB 4.31Å; Y790-N807 PolarHBondContact N-O 2.92Å; Y790-N807 CarbonylContact O-C 3.03Å; Y790-N807 WeakPolarHBondContact O-CA 3.48Å; Y790-N807 PolarHBondContact O-N 3.15Å; Y790-N807 VanDerWaalsContact O-O 3.12Å; F805-N807 HydrophobicContact CD1-CB 4.34Å; F805-N807 HydrophobicContact CE1-CB 3.75Å; F805-N807 HydrophobicContact CZ-CB 4.14Å; N807-H841 PolarHBondContact OD1-CE1 2.71Å; N807-V842 CarbonylContact C-O 3.59Å; N807-V842 VanDerWaalsContact CA-O 3.31Å; N807-V842 WeakPolarHBondContact CA-O 3.36Å; N807-Y868 PolarHBondContact OD1-OH 3.23Å; N807-Y868 VanDerWaalsContact OD1-OH 3.07Å
808	H	70.7	Confident	65.1	Low	43 Å²	43	49.5 Å²	49.5	20%	0.199	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.2	178	178.3	89.5	0	0	0	110.1	M787 N788 S789 S810 N839 F840 H841 V842	M787-H808 VanDerWaalsContact CG-CE1 3.46Å; M787-H808 WeakPolarHBondContact CG-CE1 3.44Å; N788-H808 CarbonylContact O-C 3.49Å; N788-H808 WeakPolarHBondContact O-CA 3.41Å; S789-H808 WeakPolarHBondContact CB-ND1 3.47Å; S789-H808 PolarHBondContact OG-ND1 2.8Å; H808-S810 PolarHBondContact CE1-OG 2.65Å; H808-S810 VanDerWaalsContact NE2-CB 3.35Å; H808-S810 WeakPolarHBondContact NE2-CB 3.06Å; H808-S810 PolarHBondContact NE2-OG 3.1Å; H808-S810 VanDerWaalsContact NE2-OG 3.1Å; H808-N839 CarbonylContact O-C 3.4Å; H808-N839 WeakPolarHBondContact O-CA 3.3Å; H808-F840 HydrophobicContact CB-CB 4.27Å; H808-F840 AromaticContact CD2-CD1 3.77Å; H808-F840 PolarHBondContact N-O 2.94Å; H808-F840 PolarHBondContact O-N 3.15Å; H808-F840 VanDerWaalsContact O-O 3.1Å; H808-H841 CarbonylContact O-C 3.53Å; H808-H841 VanDerWaalsContact O-CA 3.31Å; H808-H841 WeakPolarHBondContact O-CA 3.26Å; H808-H841 PolarHBondContact O-ND1 3.25Å; H808-V842 HydrophobicContact CB-CB 4.38Å; H808-V842 PolarHBondContact N-O 2.9Å; H808-V842 PolarHBondContact O-N 3.46Å
809	K	68.6	Low	66.4	Low	95 Å²	95	46.2 Å²	46.2	41%	0.413	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	108.8	173.5	-68.8	179.5	-178.8	175.5	0	108.6	M787 N788 N839 F840 H841	M787-K809 CarbonylContact C-O 3.47Å; M787-K809 WeakPolarHBondContact CA-O 3.45Å; N788-K809 CarbonylContact C-O 3.55Å; N788-K809 PolarHBondContact N-O 3.16Å; N788-K809 CarbonylContact O-C 3.44Å; N788-K809 WeakPolarHBondContact O-CA 3.13Å; N788-K809 PolarHBondContact O-N 3.23Å; N788-K809 VanDerWaalsContact O-O 3.08Å; K809-N839 HydrophobicContact CG-CB 4.38Å; K809-F840 CarbonylContact C-O 3.33Å; K809-F840 WeakPolarHBondContact CA-O 3.36Å; K809-H841 WeakPolarHBondContact CE-CD2 3.39Å; K809-H841 VanDerWaalsContact CE-CE1 3.45Å; K809-H841 WeakPolarHBondContact CE-CE1 3.25Å; K809-H841 WeakPolarHBondContact CE-NE2 3.29Å; K809-H841 HydrophobicContact CG-CB 4.37Å; K809-H841 VanDerWaalsContact CG-CD2 3.49Å; K809-H841 WeakPolarHBondContact CG-CD2 3.4Å; K809-H841 VanDerWaalsContact CG-ND1 3.25Å; K809-H841 WeakPolarHBondContact CG-ND1 3.48Å
810	S	68.6	Low	67.9	Low	14.75 Å²	14.75	44.4 Å²	44.4	10%	0.103	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.1	169.7	29.2	0	0	0	0	110.7	Y786 H808 W838 N839 F840	Y786-S810 CarbonylContact O-C 3.4Å; Y786-S810 VanDerWaalsContact O-CA 3.31Å; Y786-S810 WeakPolarHBondContact O-CA 3.37Å; H808-S810 PolarHBondContact CE1-OG 2.65Å; H808-S810 VanDerWaalsContact NE2-CB 3.35Å; H808-S810 WeakPolarHBondContact NE2-CB 3.06Å; H808-S810 PolarHBondContact NE2-OG 3.1Å; H808-S810 VanDerWaalsContact NE2-OG 3.1Å; S810-W838 PolarHBondContact N-O 3.11Å; S810-W838 CarbonylContact O-C 3.57Å; S810-W838 WeakPolarHBondContact O-CA 3.31Å; S810-W838 PolarHBondContact O-N 3Å; S810-W838 VanDerWaalsContact O-O 3.09Å; S810-W838 WeakPolarHBondContact OG-CB 3.45Å; S810-N839 CarbonylContact O-C 3.55Å; S810-N839 WeakPolarHBondContact O-CA 3.41Å; S810-F840 PolarHBondContact N-O 2.92Å; S810-F840 PolarHBondContact O-N 3.28Å; S810-F840 VanDerWaalsContact O-O 3.1Å
811	K	71.7	Confident	68.8	Low	62.5 Å²	62.5	40.3 Å²	40.3	27%	0.272	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.2	175.4	-120	177.5	-174.6	166.9	0	108.6	N323 S785 Y786 Y813 I836 D837 W838 N839	N323-K811 PolarHBondContact OD1-NZ 3.3Å; S785-K811 WeakPolarHBondContact CA-O 3.4Å; Y786-K811 HydrophobicContact CD2-CB 4.44Å; Y786-K811 HydrophobicContact CD2-CD 4.46Å; Y786-K811 HydrophobicContact CD2-CG 4.3Å; Y786-K811 PolarHBondContact N-O 3.08Å; Y786-K811 PolarHBondContact O-N 3.22Å; K811-Y813 HydrophobicContact CB-CD2 4.01Å; K811-Y813 HydrophobicContact CB-CE2 3.42Å; K811-Y813 HydrophobicContact CD-CE2 4.01Å; K811-Y813 WeakPolarHBondContact CD-OH 3.45Å; K811-Y813 HydrophobicContact CG-CE2 4.38Å; K811-Y813 PolarHBondContact O-N 2.79Å; K811-I836 CarbonylContact C-O 3.58Å; K811-I836 WeakPolarHBondContact CA-O 3.35Å; K811-D837 WeakPolarHBondContact CD-OD1 3.31Å; K811-D837 VanDerWaalsContact CE-OD2 3.25Å; K811-D837 WeakPolarHBondContact CE-OD2 3.3Å; K811-D837 HydrophobicContact CG-CB 4.5Å; K811-D837 WeakPolarHBondContact CG-OD1 3.38Å; K811-D837 VanDerWaalsContact NZ-CG 3.26Å; K811-D837 IonicContact NZ-OD1 3.98Å; K811-D837 IonicContact NZ-OD2 3.02Å; K811-D837 PolarHBondContact NZ-OD2 3.16Å; K811-W838 CarbonylContact C-O 3.58Å; K811-W838 VanDerWaalsContact CA-O 3.32Å; K811-W838 WeakPolarHBondContact CA-O 3.38Å; K811-N839 WeakPolarHBondContact CD-OD1 3.35Å; K811-N839 WeakPolarHBondContact CE-OD1 3.45Å; K811-N839 WeakPolarHBondContact CG-OD1 3.18Å
812	F	68.5	Low	69.7	Low	61 Å²	61	38.2 Å²	38.2	27%	0.268	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	115.8	169.6	-88.3	-89.7	0	0	0	108.5	W724 L762 S785 T814 K835 I836 W838	W724-F812 AromaticContact CE3-CE1 3.87Å; W724-F812 HydrophobicContact CE3-CE1 3.87Å; W724-F812 HydrophobicContact CE3-CZ 4.32Å; W724-F812 HydrophobicContact CH2-CD1 4.41Å; W724-F812 AromaticContact CH2-CE1 3.42Å; W724-F812 HydrophobicContact CH2-CE1 3.42Å; W724-F812 VanDerWaalsContact CH2-CE1 3.42Å; W724-F812 AromaticContact CH2-CE2 3.88Å; W724-F812 HydrophobicContact CH2-CE2 3.88Å; W724-F812 AromaticContact CH2-CZ 3.09Å; W724-F812 HydrophobicContact CH2-CZ 3.09Å; W724-F812 HydrophobicContact CZ2-CE1 4.35Å; W724-F812 AromaticContact CZ2-CZ 3.83Å; W724-F812 HydrophobicContact CZ2-CZ 3.83Å; W724-F812 AromaticContact CZ3-CD1 3.94Å; W724-F812 HydrophobicContact CZ3-CD1 3.94Å; W724-F812 AromaticContact CZ3-CE1 3.11Å; W724-F812 HydrophobicContact CZ3-CE1 3.11Å; W724-F812 HydrophobicContact CZ3-CE2 4.37Å; W724-F812 AromaticContact CZ3-CZ 3.39Å; W724-F812 HydrophobicContact CZ3-CZ 3.39Å; L762-F812 HydrophobicContact CD1-CD1 3.95Å; L762-F812 HydrophobicContact CD1-CE1 3.75Å; S785-F812 VanDerWaalsContact OG-CE1 3.23Å; S785-F812 WeakPolarHBondContact OG-CE1 3.19Å; F812-T814 HydrophobicContact CD1-CG2 3.78Å; F812-T814 HydrophobicContact CE1-CG2 3.15Å; F812-T814 HydrophobicContact CZ-CG2 3.8Å; F812-K835 CarbonylContact O-C 3.55Å; F812-K835 VanDerWaalsContact O-CA 3.32Å; F812-K835 WeakPolarHBondContact O-CA 3.4Å; F812-I836 HydrophobicContact CB-CB 4.3Å; F812-I836 HydrophobicContact CB-CG1 4.49Å; F812-I836 PolarHBondContact N-O 3.08Å; F812-I836 PolarHBondContact O-N 3.05Å; F812-W838 HydrophobicContact CB-CB 4.16Å; F812-W838 AromaticContact CD2-CD1 3.82Å; F812-W838 PolarHBondContact N-O 3.4Å; F812-W838 PolarHBondContact O-N 3.2Å
813	Y	74.3	Confident	70	Confident	29.25 Å²	29.25	37.8 Å²	37.8	12%	0.115	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.4	178.5	-124.6	-99	0	0	0	109.2	P325 V783 I784 Y786 K811 S815 R834 K835 D837	P325-Y813 HydrophobicContact CG-CD1 4.14Å; P325-Y813 HydrophobicContact CG-CG 4.42Å; V783-Y813 CarbonylContact C-O 3.51Å; V783-Y813 WeakPolarHBondContact CA-O 3.3Å; I784-Y813 HydrophobicContact CB-CD1 4.48Å; I784-Y813 HydrophobicContact CD1-CD1 4.14Å; I784-Y813 HydrophobicContact CG1-CD1 4.36Å; I784-Y813 PolarHBondContact N-O 3.33Å; I784-Y813 PolarHBondContact O-N 2.95Å; I784-Y813 VanDerWaalsContact O-O 3.13Å; Y786-Y813 AromaticContact CD2-CD2 3.56Å; Y786-Y813 HydrophobicContact CD2-CD2 3.56Å; Y786-Y813 VanDerWaalsContact CD2-CD2 3.49Å; Y786-Y813 AromaticContact CD2-CE2 3.55Å; Y786-Y813 HydrophobicContact CD2-CE2 3.55Å; Y786-Y813 VanDerWaalsContact CD2-CE2 3.45Å; Y786-Y813 AromaticContact CE2-CD2 3.72Å; Y786-Y813 HydrophobicContact CE2-CD2 3.72Å; Y786-Y813 AromaticContact CE2-CE2 3.83Å; Y786-Y813 HydrophobicContact CE2-CE2 3.83Å; Y786-Y813 HydrophobicContact CE2-CG 4.42Å; Y786-Y813 HydrophobicContact CG-CE2 4.4Å; K811-Y813 HydrophobicContact CB-CD2 4.01Å; K811-Y813 HydrophobicContact CB-CE2 3.42Å; K811-Y813 HydrophobicContact CD-CE2 4.01Å; K811-Y813 WeakPolarHBondContact CD-OH 3.45Å; K811-Y813 HydrophobicContact CG-CE2 4.38Å; K811-Y813 PolarHBondContact O-N 2.79Å; Y813-S815 WeakPolarHBondContact CE1-OG 3.43Å; Y813-R834 CarbonylContact C-O 3.38Å; Y813-R834 WeakPolarHBondContact CA-O 3.23Å; Y813-K835 HydrophobicContact CD1-CB 3.54Å; Y813-K835 VanDerWaalsContact CD1-CB 3.41Å; Y813-K835 HydrophobicContact CD1-CD 4.04Å; Y813-K835 HydrophobicContact CD1-CG 3.62Å; Y813-K835 VanDerWaalsContact CD1-CG 3.49Å; Y813-K835 HydrophobicContact CE1-CB 3.71Å; Y813-K835 HydrophobicContact CE1-CD 3.27Å; Y813-K835 VanDerWaalsContact CE1-CE 3.45Å; Y813-K835 HydrophobicContact CE1-CG 3.33Å; Y813-K835 VanDerWaalsContact CE1-CG 3.4Å; Y813-K835 HydrophobicContact CE2-CB 4.24Å; Y813-K835 HydrophobicContact CE2-CD 4.28Å; Y813-K835 HydrophobicContact CE2-CG 4.38Å; Y813-K835 HydrophobicContact CG-CB 4.43Å; Y813-K835 HydrophobicContact CG-CG 4.4Å; Y813-K835 VanDerWaalsContact CZ-CE 3.46Å; Y813-K835 VanDerWaalsContact OH-CD 3.3Å; Y813-K835 WeakPolarHBondContact OH-CD 3.41Å; Y813-K835 WeakPolarHBondContact OH-CE 3.34Å; Y813-K835 WeakPolarHBondContact OH-CG 3.15Å; Y813-K835 PolarHBondContact OH-NZ 2.83Å; Y813-D837 WeakPolarHBondContact CD2-OD1 3.4Å; Y813-D837 WeakPolarHBondContact CE2-OD1 3.28Å
814	T	73.4	Confident	70.3	Confident	15 Å²	15	40.5 Å²	40.5	9%	0.092	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.5	173.2	56.7	0	0	0	0	108.5	W250 W724 N782 V783 F812 Q816 R834 K835 I836	W250-T814 HydrophobicContact CE3-CG2 4.09Å; W250-T814 HydrophobicContact CZ3-CG2 3.51Å; W724-T814 HydrophobicContact CZ2-CG2 4.45Å; N782-T814 CarbonylContact O-C 3.54Å; N782-T814 VanDerWaalsContact O-CA 3.3Å; N782-T814 WeakPolarHBondContact O-CA 3.22Å; V783-T814 HydrophobicContact CG1-CG2 4.22Å; V783-T814 HydrophobicContact CG2-CG2 4.02Å; F812-T814 HydrophobicContact CD1-CG2 3.78Å; F812-T814 HydrophobicContact CE1-CG2 3.15Å; F812-T814 HydrophobicContact CZ-CG2 3.8Å; T814-Q816 HydrophobicContact CG2-CG 4.04Å; T814-R834 PolarHBondContact N-O 3.01Å; T814-R834 WeakPolarHBondContact O-CA 3.02Å; T814-R834 WeakPolarHBondContact O-CB 3.45Å; T814-R834 PolarHBondContact O-N 2.86Å; T814-R834 WeakPolarHBondContact OG1-CB 3.38Å; T814-K835 CarbonylContact O-C 3.59Å; T814-K835 VanDerWaalsContact O-CA 3.3Å; T814-K835 WeakPolarHBondContact O-CA 3.43Å; T814-I836 PolarHBondContact N-O 3.03Å; T814-I836 PolarHBondContact O-N 3.05Å; T814-I836 WeakPolarHBondContact OG1-CB 3.32Å
815	S	77.1	Confident	70.2	Confident	17 Å²	17	44.7 Å²	44.7	12%	0.119	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.8	169.9	115.4	0	0	0	0	109	T781 N782 Y813 D833 R834	T781-S815 CarbonylContact C-O 3.54Å; T781-S815 VanDerWaalsContact CA-O 3.32Å; T781-S815 WeakPolarHBondContact CA-O 3.43Å; N782-S815 WeakPolarHBondContact CB-OG 3.45Å; N782-S815 PolarHBondContact N-O 2.96Å; N782-S815 PolarHBondContact O-N 3.08Å; Y813-S815 WeakPolarHBondContact CE1-OG 3.43Å; S815-D833 WeakPolarHBondContact CB-OD1 3.45Å; S815-D833 PolarHBondContact OG-OD1 3.27Å; S815-R834 CarbonylContact C-O 3.52Å; S815-R834 VanDerWaalsContact CA-O 3.27Å; S815-R834 WeakPolarHBondContact CA-O 3.11Å
816	Q	75.9	Confident	70.1	Confident	33.25 Å²	33.25	45 Å²	45	16%	0.155	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.2	173.5	-58.5	-174.7	-25.8	0	0	108.3	E780 T781 T814 Q831 S832 R834	E780-Q816 CarbonylContact O-C 3.5Å; E780-Q816 WeakPolarHBondContact O-CA 3.25Å; T781-Q816 HydrophobicContact CG2-CB 4.14Å; T781-Q816 HydrophobicContact CG2-CG 3.99Å; T814-Q816 HydrophobicContact CG2-CG 4.04Å; Q816-Q831 CarbonylContact O-C 3.54Å; Q816-Q831 WeakPolarHBondContact O-CA 3.3Å; Q816-S832 PolarHBondContact N-O 3.16Å; Q816-S832 PolarHBondContact O-N 3.24Å; Q816-R834 HydrophobicContact CB-CB 4.32Å; Q816-R834 PolarHBondContact N-O 3.35Å; Q816-R834 PolarHBondContact O-N 2.94Å
817	R	77.3	Confident	70.2	Confident	67 Å²	67	45.3 Å²	45.3	25%	0.253	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.4	177.7	179.2	179.4	-148.1	-169.6	2.2	108.4	E326 W779 E780 Q819 E826 F830 Q831 S832 D833 M880	E326-R817 IonicContact OE1-CZ 3.88Å; E326-R817 IonicContact OE1-NH2 4Å; E326-R817 PolarHBondContact OE1-NH2 3.5Å; W779-R817 CarbonylContact C-O 3.51Å; W779-R817 VanDerWaalsContact CA-O 3.3Å; W779-R817 WeakPolarHBondContact CA-O 3.27Å; E780-R817 HydrophobicContact CB-CB 4.36Å; E780-R817 PolarHBondContact N-O 3.09Å; E780-R817 PolarHBondContact O-N 2.89Å; R817-Q819 HydrophobicContact CG-CG 3.93Å; R817-Q819 VanDerWaalsContact CZ-NE2 3.32Å; R817-Q819 VanDerWaalsContact NE-CD 3.3Å; R817-E826 IonicContact CZ-OE2 3.57Å; R817-E826 IonicContact NH2-OE1 2.83Å; R817-E826 IonicContact NH2-OE2 2.8Å; R817-E826 PolarHBondContact NH2-OE2 2.88Å; R817-F830 CarbonylContact C-O 3.57Å; R817-F830 WeakPolarHBondContact CA-O 3.17Å; R817-Q831 HydrophobicContact CB-CG 4.41Å; R817-Q831 HydrophobicContact CG-CB 4.16Å; R817-Q831 HydrophobicContact CG-CG 4.32Å; R817-Q831 VanDerWaalsContact NE-OE1 3.14Å; R817-S832 WeakPolarHBondContact CA-O 3.45Å; R817-D833 VanDerWaalsContact CG-OD1 3.27Å; R817-D833 WeakPolarHBondContact CG-OD1 3.16Å; R817-D833 IonicContact NE-OD1 3.19Å; R817-M880 PolarHBondContact NE-SD 3.36Å; R817-M880 PolarHBondContact NH2-SD 3.48Å; R817-M880 VanDerWaalsContact NH2-SD 3.44Å
818	V	76.3	Confident	70.1	Confident	24.5 Å²	24.5	47.6 Å²	47.6	15%	0.148	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.8	176.9	-178.9	0	0	0	0	107.5	L259 I777 E778 W779 G829 F830 Q831 S832	L259-V818 HydrophobicContact CD1-CB 4.02Å; L259-V818 HydrophobicContact CD1-CG1 4.27Å; L259-V818 HydrophobicContact CD1-CG2 4.06Å; I777-V818 HydrophobicContact CG2-CG1 3.68Å; E778-V818 CarbonylContact O-C 3.5Å; E778-V818 VanDerWaalsContact O-CA 3.29Å; E778-V818 WeakPolarHBondContact O-CA 3.3Å; W779-V818 HydrophobicContact CB-CG2 4.49Å; W779-V818 HydrophobicContact CD2-CG2 4.16Å; W779-V818 HydrophobicContact CG-CG2 4.02Å; V818-G829 CarbonylContact O-C 3.49Å; V818-G829 VanDerWaalsContact O-CA 3.26Å; V818-G829 WeakPolarHBondContact O-CA 3.24Å; V818-F830 PolarHBondContact N-O 3.07Å; V818-F830 PolarHBondContact O-N 2.97Å; V818-Q831 CarbonylContact O-C 3.45Å; V818-Q831 WeakPolarHBondContact O-CA 3.26Å; V818-S832 PolarHBondContact N-O 2.89Å; V818-S832 PolarHBondContact O-N 2.95Å
819	Q	77.8	Confident	70.1	Confident	11.75 Å²	11.75	45.9 Å²	45.9	6%	0.055	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.3	-178.6	-61.5	-176.7	-58.8	0	0	110.8	I777 E778 R817 V821 E826 F830 Q831 M880	I777-Q819 CarbonylContact C-O 3.57Å; I777-Q819 VanDerWaalsContact CA-O 3.27Å; I777-Q819 WeakPolarHBondContact CA-O 3.24Å; E778-Q819 HydrophobicContact CB-CB 4.28Å; E778-Q819 PolarHBondContact N-O 3.18Å; E778-Q819 PolarHBondContact O-N 3.11Å; R817-Q819 HydrophobicContact CG-CG 3.93Å; R817-Q819 VanDerWaalsContact CZ-NE2 3.32Å; R817-Q819 VanDerWaalsContact NE-CD 3.3Å; Q819-V821 HydrophobicContact CB-CG2 4.17Å; Q819-E826 HydrophobicContact CB-CG 4.41Å; Q819-E826 PolarHBondContact NE2-OE1 2.8Å; Q819-E826 PolarHBondContact NE2-OE2 3.26Å; Q819-E826 PolarHBondContact OE1-OE2 2.99Å; Q819-F830 CarbonylContact C-O 3.39Å; Q819-F830 VanDerWaalsContact CA-O 3.28Å; Q819-F830 WeakPolarHBondContact CA-O 3.37Å; Q819-Q831 HydrophobicContact CG-CB 3.96Å; Q819-Q831 HydrophobicContact CG-CG 3.74Å; Q819-M880 PolarHBondContact NE2-SD 2.71Å; Q819-M880 VanDerWaalsContact NE2-SD 3.37Å
820	L	78.6	Confident	70.4	Confident	38.25 Å²	38.25	43.7 Å²	43.7	20%	0.2	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116	169.6	-164.4	105.6	0	0	0	107.8	H43 L261 L771 F775 Y776 I777 I827 F828 G829 F830	H43-L820 HydrophobicContact CB-CD2 3.83Å; L261-L820 HydrophobicContact CD2-CD1 4.27Å; L771-L820 HydrophobicContact CD1-CD1 3.48Å; L771-L820 VanDerWaalsContact CD1-CD1 3.44Å; F775-L820 HydrophobicContact CB-CD1 3.91Å; F775-L820 HydrophobicContact CB-CD2 4.32Å; F775-L820 HydrophobicContact CB-CG 4.24Å; F775-L820 HydrophobicContact CD1-CD2 3.96Å; F775-L820 VanDerWaalsContact CD1-CD2 3.47Å; F775-L820 HydrophobicContact CD1-CG 4.2Å; F775-L820 HydrophobicContact CD2-CD2 4.33Å; F775-L820 HydrophobicContact CE1-CD2 3.92Å; F775-L820 HydrophobicContact CG-CD2 3.95Å; F775-L820 HydrophobicContact CG-CG 4.34Å; Y776-L820 WeakPolarHBondContact O-CA 3.31Å; I777-L820 HydrophobicContact CG1-CD1 4.03Å; L820-I827 HydrophobicContact CD2-CD1 4.24Å; L820-I827 HydrophobicContact CG-CD1 4.18Å; L820-I827 PolarHBondContact O-N 3.11Å; L820-F828 HydrophobicContact CB-CD2 4.36Å; L820-F828 HydrophobicContact CB-CE2 4.04Å; L820-F828 HydrophobicContact CB-CZ 4.34Å; L820-F828 HydrophobicContact CD2-CE1 3.88Å; L820-F828 HydrophobicContact CD2-CE2 4.18Å; L820-F828 HydrophobicContact CD2-CZ 3.62Å; L820-F828 PolarHBondContact N-O 3.09Å; L820-G829 CarbonylContact O-C 3.57Å; L820-G829 WeakPolarHBondContact O-CA 3.35Å; L820-F830 HydrophobicContact CB-CB 4.35Å; L820-F830 PolarHBondContact N-O 2.8Å; L820-F830 PolarHBondContact O-N 2.83Å
821	V	74.2	Confident	70.7	Confident	13.25 Å²	13.25	43.8 Å²	43.8	8%	0.08	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.5	-173.1	-170.7	0	0	0	0	110.2	F775 Y776 E778 Q819 G823 H825 E826	F775-V821 CarbonylContact C-O 3.6Å; F775-V821 VanDerWaalsContact CA-O 3.3Å; F775-V821 WeakPolarHBondContact CA-O 3.19Å; F775-V821 WeakPolarHBondContact CB-O 3.41Å; Y776-V821 HydrophobicContact CD1-CB 4.28Å; Y776-V821 VanDerWaalsContact CD1-O 3.32Å; Y776-V821 WeakPolarHBondContact CD1-O 3.08Å; Y776-V821 HydrophobicContact CD2-CB 4.37Å; Y776-V821 HydrophobicContact CE1-CB 3.77Å; Y776-V821 HydrophobicContact CE1-CG1 3.8Å; Y776-V821 HydrophobicContact CE2-CB 3.87Å; Y776-V821 HydrophobicContact CE2-CG1 4.23Å; Y776-V821 HydrophobicContact CE2-CG2 4.19Å; Y776-V821 HydrophobicContact CG-CB 4.47Å; Y776-V821 VanDerWaalsContact CZ-CB 3.44Å; Y776-V821 VanDerWaalsContact CZ-CG1 3.45Å; Y776-V821 PolarHBondContact N-O 3.26Å; Y776-V821 VanDerWaalsContact N-O 3.12Å; Y776-V821 PolarHBondContact O-N 3.16Å; Y776-V821 WeakPolarHBondContact OH-CG1 3.36Å; E778-V821 HydrophobicContact CB-CG2 3.92Å; Q819-V821 HydrophobicContact CB-CG2 4.17Å; V821-G823 WeakPolarHBondContact CG1-O 3.42Å; V821-H825 WeakPolarHBondContact CG1-O 3.26Å; V821-E826 HydrophobicContact CG1-CB 4.1Å; V821-E826 HydrophobicContact CG1-CG 4.23Å; V821-E826 HydrophobicContact CG2-CG 4.43Å
822	S	71.3	Confident	70.9	Confident	26.5 Å²	26.5	40.9 Å²	40.9	19%	0.185	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.7	174.5	120.3	0	0	0	0	110.8	F775 S824 H825 I827 F828	F775-S822 VanDerWaalsContact CE1-OG 3.29Å; F775-S822 WeakPolarHBondContact CE1-OG 3.31Å; S822-S824 VanDerWaalsContact C-N 3.3Å; S822-S824 PolarHBondContact O-N 3.09Å; S822-S824 VanDerWaalsContact O-N 3.12Å; S822-H825 PolarHBondContact N-O 3.31Å; S822-H825 CarbonylContact O-C 3.58Å; S822-H825 PolarHBondContact O-N 2.78Å; S822-H825 PolarHBondContact OG-O 2.84Å; S822-I827 VanDerWaalsContact CB-CD1 3.45Å; S822-F828 PolarHBondContact N-O 2.89Å; S822-F828 PolarHBondContact OG-N 2.87Å; S822-F828 PolarHBondContact OG-O 2.81Å
823	G	62.6	Low	71.2	Confident	34.25 Å²	34.25	39.4 Å²	39.4	35%	0.353	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	35.5	-120.3	-178.2	0	0	0	0	0	113.7	K295 G774 Y776 V821 H825	K295-G823 WeakPolarHBondContact CE-O 3.12Å; K295-G823 PolarHBondContact NZ-O 3.37Å; G774-G823 PolarHBondContact O-N 2.8Å; Y776-G823 WeakPolarHBondContact CE1-O 3.45Å; Y776-G823 PolarHBondContact OH-O 2.85Å; V821-G823 WeakPolarHBondContact CG1-O 3.42Å; G823-H825 PolarHBondContact O-N 2.8Å
824	S	59	Low	71.2	Confident	87.75 Å²	87.75	40.6 Å²	40.6	61%	0.614	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-15	179	51.9	0	0	0	0	114.7	S822	S822-S824 VanDerWaalsContact C-N 3.3Å; S822-S824 PolarHBondContact O-N 3.09Å; S822-S824 VanDerWaalsContact O-N 3.12Å
825	H	57.9	Low	71.4	Confident	113 Å²	113	43.1 Å²	43.1	52%	0.523	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.3	-178.5	-66.3	59	0	0	0	108.9	T98 V821 S822 G823 I827	T98-H825 HydrophobicContact CG2-CB 4.33Å; V821-H825 WeakPolarHBondContact CG1-O 3.26Å; S822-H825 PolarHBondContact N-O 3.31Å; S822-H825 CarbonylContact O-C 3.58Å; S822-H825 PolarHBondContact O-N 2.78Å; S822-H825 PolarHBondContact OG-O 2.84Å; G823-H825 PolarHBondContact O-N 2.8Å; H825-I827 HydrophobicContact CB-CD1 3.64Å; H825-I827 HydrophobicContact CB-CG1 3.58Å; H825-I827 VanDerWaalsContact O-CG1 3.3Å; H825-I827 WeakPolarHBondContact O-CG1 3.4Å; H825-I827 PolarHBondContact O-N 3Å
826	E	59.5	Low	71.1	Confident	74.25 Å²	74.25	43.7 Å²	43.7	35%	0.347	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	83.3	176.1	-79.8	179.1	170.1	0	0	111.6	R817 Q819 V821 M880 N882 S883	R817-E826 IonicContact CZ-OE2 3.57Å; R817-E826 IonicContact NH2-OE1 2.83Å; R817-E826 IonicContact NH2-OE2 2.8Å; R817-E826 PolarHBondContact NH2-OE2 2.88Å; Q819-E826 HydrophobicContact CB-CG 4.41Å; Q819-E826 PolarHBondContact NE2-OE1 2.8Å; Q819-E826 PolarHBondContact NE2-OE2 3.26Å; Q819-E826 PolarHBondContact OE1-OE2 2.99Å; V821-E826 HydrophobicContact CG1-CB 4.1Å; V821-E826 HydrophobicContact CG1-CG 4.23Å; V821-E826 HydrophobicContact CG2-CG 4.43Å; E826-M880 VanDerWaalsContact OE1-CB 3.31Å; E826-M880 WeakPolarHBondContact OE1-CB 3.2Å; E826-N882 WeakPolarHBondContact O-CA 3.34Å; E826-N882 PolarHBondContact O-N 3.01Å; E826-N882 VanDerWaalsContact O-N 3.13Å; E826-S883 PolarHBondContact O-N 2.79Å; E826-S883 PolarHBondContact OE1-OG 3.09Å; E826-S883 VanDerWaalsContact OE2-CA 3.26Å; E826-S883 WeakPolarHBondContact OE2-CA 3.25Å; E826-S883 WeakPolarHBondContact OE2-CB 3.33Å; E826-S883 PolarHBondContact OE2-N 3.07Å; E826-S883 PolarHBondContact OE2-OG 3.02Å
827	I	62.8	Low	71	Confident	53.25 Å²	53.25	42.8 Å²	42.8	27%	0.273	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-53.2	-173.1	-53.6	170	0	0	0	109.7	Y67 I96 T98 F775 L820 S822 H825 K881 N882	Y67-I827 HydrophobicContact CD1-CD1 4.07Å; Y67-I827 HydrophobicContact CD1-CG2 4.3Å; Y67-I827 HydrophobicContact CD2-CG2 3.42Å; Y67-I827 VanDerWaalsContact CD2-CG2 3.42Å; Y67-I827 HydrophobicContact CE1-CD1 3.88Å; Y67-I827 HydrophobicContact CE2-CD1 4.34Å; Y67-I827 HydrophobicContact CE2-CG2 3.95Å; Y67-I827 HydrophobicContact CG-CD1 4.41Å; Y67-I827 HydrophobicContact CG-CG2 3.61Å; I96-I827 HydrophobicContact CG2-CG2 3.84Å; T98-I827 HydrophobicContact CG2-CG1 4.29Å; F775-I827 HydrophobicContact CD1-CD1 3.81Å; F775-I827 VanDerWaalsContact CD1-CD1 3.48Å; F775-I827 HydrophobicContact CE1-CD1 3.6Å; F775-I827 HydrophobicContact CE2-CD1 4.37Å; F775-I827 HydrophobicContact CZ-CD1 3.98Å; L820-I827 HydrophobicContact CD2-CD1 4.24Å; L820-I827 HydrophobicContact CG-CD1 4.18Å; L820-I827 PolarHBondContact O-N 3.11Å; S822-I827 VanDerWaalsContact CB-CD1 3.45Å; H825-I827 HydrophobicContact CB-CD1 3.64Å; H825-I827 HydrophobicContact CB-CG1 3.58Å; H825-I827 VanDerWaalsContact O-CG1 3.3Å; H825-I827 WeakPolarHBondContact O-CG1 3.4Å; H825-I827 PolarHBondContact O-N 3Å; I827-K881 VanDerWaalsContact O-CA 3.29Å; I827-K881 WeakPolarHBondContact O-CA 3.38Å; I827-K881 VanDerWaalsContact O-CG 3.29Å; I827-K881 WeakPolarHBondContact O-CG 2.83Å; I827-N882 PolarHBondContact O-N 3.24Å; I827-N882 PolarHBondContact O-OD1 3.06Å
828	F	65.5	Low	70.6	Confident	84.75 Å²	84.75	45.6 Å²	45.6	37%	0.372	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146	179.2	-68.4	-88.3	0	0	0	110.9	H43 L45 Q65 Y67 I96 L261 L820 S822 M880 K881	H43-F828 HydrophobicContact CB-CE1 4.37Å; H43-F828 HydrophobicContact CB-CZ 4.09Å; L45-F828 HydrophobicContact CB-CD2 4.15Å; L45-F828 HydrophobicContact CB-CE2 3.44Å; L45-F828 VanDerWaalsContact CB-CE2 3.44Å; L45-F828 HydrophobicContact CB-CZ 4.05Å; L45-F828 HydrophobicContact CD2-CD2 3.81Å; L45-F828 HydrophobicContact CD2-CE2 3.81Å; L45-F828 HydrophobicContact CG-CE2 4.16Å; Q65-F828 HydrophobicContact CB-CD1 4.23Å; Q65-F828 HydrophobicContact CB-CD2 4.17Å; Q65-F828 HydrophobicContact CB-CE1 4.46Å; Q65-F828 HydrophobicContact CB-CE2 4.5Å; Q65-F828 HydrophobicContact CB-CG 4.09Å; Q65-F828 VanDerWaalsContact OE1-CD2 3.27Å; Y67-F828 VanDerWaalsContact CB-CE1 3.48Å; I96-F828 HydrophobicContact CD1-CB 4.44Å; I96-F828 HydrophobicContact CD1-CD1 3.86Å; L261-F828 HydrophobicContact CD1-CE2 4.24Å; L261-F828 HydrophobicContact CD1-CZ 4.27Å; L820-F828 HydrophobicContact CB-CD2 4.36Å; L820-F828 HydrophobicContact CB-CE2 4.04Å; L820-F828 HydrophobicContact CB-CZ 4.34Å; L820-F828 HydrophobicContact CD2-CE1 3.88Å; L820-F828 HydrophobicContact CD2-CE2 4.18Å; L820-F828 HydrophobicContact CD2-CZ 3.62Å; L820-F828 PolarHBondContact N-O 3.09Å; S822-F828 PolarHBondContact N-O 2.89Å; S822-F828 PolarHBondContact OG-N 2.87Å; S822-F828 PolarHBondContact OG-O 2.81Å; F828-M880 CarbonylContact C-O 3.55Å; F828-M880 VanDerWaalsContact CA-O 3.22Å; F828-M880 WeakPolarHBondContact CA-O 3.35Å; F828-M880 WeakPolarHBondContact CB-O 2.97Å; F828-K881 HydrophobicContact CD1-CB 4.16Å; F828-K881 HydrophobicContact CD1-CG 4.08Å; F828-K881 HydrophobicContact CE1-CB 4.09Å; F828-K881 HydrophobicContact CE1-CD 4.06Å; F828-K881 HydrophobicContact CE1-CG 4.05Å; F828-K881 HydrophobicContact CZ-CD 4.16Å; F828-K881 HydrophobicContact CZ-CG 4.26Å
829	G	70.1	Confident	70.3	Confident	8 Å²	8	45.4 Å²	45.4	8%	0.082	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	177.3	175.2	0	0	0	0	0	113.2	V818 L820 M880	V818-G829 CarbonylContact O-C 3.49Å; V818-G829 VanDerWaalsContact O-CA 3.26Å; V818-G829 WeakPolarHBondContact O-CA 3.24Å; L820-G829 CarbonylContact O-C 3.57Å; L820-G829 WeakPolarHBondContact O-CA 3.35Å; G829-M880 PolarHBondContact N-O 3.07Å; G829-M880 PolarHBondContact O-N 3.25Å
830	F	75.7	Confident	69.7	Low	49.25 Å²	49.25	49.4 Å²	49.4	22%	0.216	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.1	175.6	174.9	-95.3	0	0	0	108.9	L259 R817 V818 Q819 L820 D877 F878 L879	L259-F830 HydrophobicContact CD1-CB 3.87Å; L259-F830 HydrophobicContact CD1-CD1 3.69Å; L259-F830 HydrophobicContact CD1-CE1 4.45Å; L259-F830 HydrophobicContact CD1-CG 3.94Å; L259-F830 HydrophobicContact CD2-CB 3.89Å; L259-F830 HydrophobicContact CD2-CD1 4.08Å; L259-F830 HydrophobicContact CD2-CD2 3.96Å; L259-F830 HydrophobicContact CD2-CE2 4.48Å; L259-F830 HydrophobicContact CD2-CG 3.71Å; L259-F830 HydrophobicContact CG-CD1 4.35Å; L259-F830 HydrophobicContact CG-CG 4.41Å; R817-F830 CarbonylContact C-O 3.57Å; R817-F830 WeakPolarHBondContact CA-O 3.17Å; V818-F830 PolarHBondContact N-O 3.07Å; V818-F830 PolarHBondContact O-N 2.97Å; Q819-F830 CarbonylContact C-O 3.39Å; Q819-F830 VanDerWaalsContact CA-O 3.28Å; Q819-F830 WeakPolarHBondContact CA-O 3.37Å; L820-F830 HydrophobicContact CB-CB 4.35Å; L820-F830 PolarHBondContact N-O 2.8Å; L820-F830 PolarHBondContact O-N 2.83Å; F830-D877 HydrophobicContact CE2-CB 3.85Å; F830-D877 HydrophobicContact CZ-CB 3.75Å; F830-D877 VanDerWaalsContact CZ-CG 3.41Å; F830-F878 CarbonylContact C-O 3.55Å; F830-F878 WeakPolarHBondContact CA-O 3.45Å; F830-L879 HydrophobicContact CD2-CD2 4.21Å
831	Q	75.5	Confident	69.1	Low	15 Å²	15	48.4 Å²	48.4	7%	0.07	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.7	175.5	179.9	173	-29.7	0	0	109.9	E326 Q816 R817 V818 Q819 D833 D877 F878 M880	E326-Q831 VanDerWaalsContact CD-NE2 3.31Å; E326-Q831 VanDerWaalsContact OE1-CD 3.31Å; E326-Q831 PolarHBondContact OE1-NE2 3.13Å; E326-Q831 PolarHBondContact OE1-OE1 3.32Å; Q816-Q831 CarbonylContact O-C 3.54Å; Q816-Q831 WeakPolarHBondContact O-CA 3.3Å; R817-Q831 HydrophobicContact CB-CG 4.41Å; R817-Q831 HydrophobicContact CG-CB 4.16Å; R817-Q831 HydrophobicContact CG-CG 4.32Å; R817-Q831 VanDerWaalsContact NE-OE1 3.14Å; V818-Q831 CarbonylContact O-C 3.45Å; V818-Q831 WeakPolarHBondContact O-CA 3.26Å; Q819-Q831 HydrophobicContact CG-CB 3.96Å; Q819-Q831 HydrophobicContact CG-CG 3.74Å; Q831-D833 WeakPolarHBondContact CG-OD1 3.21Å; Q831-D833 PolarHBondContact NE2-OD1 3.16Å; Q831-D833 PolarHBondContact NE2-OD2 2.94Å; Q831-D877 CarbonylContact O-C 3.51Å; Q831-D877 WeakPolarHBondContact O-CA 3.26Å; Q831-F878 HydrophobicContact CB-CB 4.44Å; Q831-F878 HydrophobicContact CB-CD2 4.41Å; Q831-F878 HydrophobicContact CG-CD2 4.34Å; Q831-F878 PolarHBondContact N-O 3.14Å; Q831-F878 PolarHBondContact O-N 3.2Å; Q831-M880 HydrophobicContact CB-CG 4.17Å; Q831-M880 HydrophobicContact CB-SD 3.97Å; Q831-M880 PolarHBondContact OE1-SD 2.91Å; Q831-M880 VanDerWaalsContact OE1-SD 3.4Å
832	S	74.6	Confident	68.6	Low	2.75 Å²	2.75	48.7 Å²	48.7	2%	0.019	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	110	172.2	-179.6	0	0	0	0	109.1	Q816 R817 V818 R834 K875 N876 D877	Q816-S832 PolarHBondContact N-O 3.16Å; Q816-S832 PolarHBondContact O-N 3.24Å; R817-S832 WeakPolarHBondContact CA-O 3.45Å; V818-S832 PolarHBondContact N-O 2.89Å; V818-S832 PolarHBondContact O-N 2.95Å; S832-R834 PolarHBondContact OG-NE 3.21Å; S832-K875 WeakPolarHBondContact OG-CE 3.43Å; S832-N876 CarbonylContact C-O 3.52Å; S832-N876 WeakPolarHBondContact CA-O 2.99Å; S832-D877 VanDerWaalsContact CB-OD1 3.24Å; S832-D877 WeakPolarHBondContact CB-OD1 3.31Å; S832-D877 PolarHBondContact OG-OD1 3.09Å
833	D	76.3	Confident	68.4	Low	28.5 Å²	28.5	49.6 Å²	49.6	15%	0.152	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.6	173.6	-67.4	-22.5	0	0	0	109.5	S815 R817 Q831 K875 N876 F878	S815-D833 WeakPolarHBondContact CB-OD1 3.45Å; S815-D833 PolarHBondContact OG-OD1 3.27Å; R817-D833 VanDerWaalsContact CG-OD1 3.27Å; R817-D833 WeakPolarHBondContact CG-OD1 3.16Å; R817-D833 IonicContact NE-OD1 3.19Å; Q831-D833 WeakPolarHBondContact CG-OD1 3.21Å; Q831-D833 PolarHBondContact NE2-OD1 3.16Å; Q831-D833 PolarHBondContact NE2-OD2 2.94Å; D833-K875 CarbonylContact O-C 3.51Å; D833-K875 WeakPolarHBondContact O-CA 3.25Å; D833-N876 HydrophobicContact CB-CB 4.48Å; D833-N876 PolarHBondContact N-O 2.89Å; D833-N876 PolarHBondContact O-N 3.22Å; D833-F878 HydrophobicContact CB-CE2 4.48Å; D833-F878 WeakPolarHBondContact OD2-CE2 3.35Å
834	R	74.1	Confident	68.4	Low	55.5 Å²	55.5	49.5 Å²	49.5	21%	0.209	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133	177.8	-56.7	172	-174.1	-174.2	-2	108.8	Y813 T814 S815 Q816 S832 Y873 T874 K875	Y813-R834 CarbonylContact C-O 3.38Å; Y813-R834 WeakPolarHBondContact CA-O 3.23Å; T814-R834 PolarHBondContact N-O 3.01Å; T814-R834 WeakPolarHBondContact O-CA 3.02Å; T814-R834 WeakPolarHBondContact O-CB 3.45Å; T814-R834 PolarHBondContact O-N 2.86Å; T814-R834 WeakPolarHBondContact OG1-CB 3.38Å; S815-R834 CarbonylContact C-O 3.52Å; S815-R834 VanDerWaalsContact CA-O 3.27Å; S815-R834 WeakPolarHBondContact CA-O 3.11Å; Q816-R834 HydrophobicContact CB-CB 4.32Å; Q816-R834 PolarHBondContact N-O 3.35Å; Q816-R834 PolarHBondContact O-N 2.94Å; S832-R834 PolarHBondContact OG-NE 3.21Å; R834-Y873 HydrophobicContact CB-CE2 4.14Å; R834-Y873 WeakPolarHBondContact CD-OH 3.29Å; R834-Y873 HydrophobicContact CG-CE2 4.25Å; R834-T874 CarbonylContact C-O 3.51Å; R834-T874 VanDerWaalsContact CA-O 3.25Å; R834-T874 WeakPolarHBondContact CA-O 3.16Å; R834-K875 HydrophobicContact CG-CB 4.33Å; R834-K875 HydrophobicContact CG-CG 4.15Å
835	K	76.2	Confident	68.7	Low	67.5 Å²	67.5	47 Å²	47	29%	0.293	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.1	175	-122.6	-178.6	-177.6	171.2	0	108.2	F812 Y813 T814 D837 Y873 T874	F812-K835 CarbonylContact O-C 3.55Å; F812-K835 VanDerWaalsContact O-CA 3.32Å; F812-K835 WeakPolarHBondContact O-CA 3.4Å; Y813-K835 HydrophobicContact CD1-CB 3.54Å; Y813-K835 VanDerWaalsContact CD1-CB 3.41Å; Y813-K835 HydrophobicContact CD1-CD 4.04Å; Y813-K835 HydrophobicContact CD1-CG 3.62Å; Y813-K835 VanDerWaalsContact CD1-CG 3.49Å; Y813-K835 HydrophobicContact CE1-CB 3.71Å; Y813-K835 HydrophobicContact CE1-CD 3.27Å; Y813-K835 VanDerWaalsContact CE1-CE 3.45Å; Y813-K835 HydrophobicContact CE1-CG 3.33Å; Y813-K835 VanDerWaalsContact CE1-CG 3.4Å; Y813-K835 HydrophobicContact CE2-CB 4.24Å; Y813-K835 HydrophobicContact CE2-CD 4.28Å; Y813-K835 HydrophobicContact CE2-CG 4.38Å; Y813-K835 HydrophobicContact CG-CB 4.43Å; Y813-K835 HydrophobicContact CG-CG 4.4Å; Y813-K835 VanDerWaalsContact CZ-CE 3.46Å; Y813-K835 VanDerWaalsContact OH-CD 3.3Å; Y813-K835 WeakPolarHBondContact OH-CD 3.41Å; Y813-K835 WeakPolarHBondContact OH-CE 3.34Å; Y813-K835 WeakPolarHBondContact OH-CG 3.15Å; Y813-K835 PolarHBondContact OH-NZ 2.83Å; T814-K835 CarbonylContact O-C 3.59Å; T814-K835 VanDerWaalsContact O-CA 3.3Å; T814-K835 WeakPolarHBondContact O-CA 3.43Å; K835-D837 WeakPolarHBondContact CE-OD1 3.42Å; K835-D837 WeakPolarHBondContact CE-OD2 3.23Å; K835-D837 IonicContact NZ-OD1 3.8Å; K835-D837 IonicContact NZ-OD2 2.65Å; K835-D837 PolarHBondContact NZ-OD2 3.44Å; K835-Y873 CarbonylContact O-C 3.44Å; K835-Y873 WeakPolarHBondContact O-CA 3.32Å; K835-Y873 WeakPolarHBondContact O-CD2 3.48Å; K835-T874 WeakPolarHBondContact CB-OG1 3.33Å; K835-T874 PolarHBondContact N-O 3.2Å; K835-T874 PolarHBondContact O-N 3.19Å
836	I	72.5	Confident	68.8	Low	29 Å²	29	44.1 Å²	44.1	15%	0.149	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	110.3	176.5	-50.6	166.1	0	0	0	106.7	K811 F812 T814 W838 F871 K872 Y873	K811-I836 CarbonylContact C-O 3.58Å; K811-I836 WeakPolarHBondContact CA-O 3.35Å; F812-I836 HydrophobicContact CB-CB 4.3Å; F812-I836 HydrophobicContact CB-CG1 4.49Å; F812-I836 PolarHBondContact N-O 3.08Å; F812-I836 PolarHBondContact O-N 3.05Å; T814-I836 PolarHBondContact N-O 3.03Å; T814-I836 PolarHBondContact O-N 3.05Å; T814-I836 WeakPolarHBondContact OG1-CB 3.32Å; I836-W838 HydrophobicContact CG2-CG 4.46Å; I836-W838 VanDerWaalsContact CG2-NE1 3.28Å; I836-F871 HydrophobicContact CG2-CD2 4.1Å; I836-F871 HydrophobicContact CG2-CE2 3.41Å; I836-F871 VanDerWaalsContact CG2-CE2 3.46Å; I836-F871 HydrophobicContact CG2-CZ 4.05Å; I836-K872 CarbonylContact C-O 3.55Å; I836-K872 VanDerWaalsContact CA-O 3.31Å; I836-K872 WeakPolarHBondContact CA-O 3.3Å; I836-Y873 HydrophobicContact CD1-CD2 4.37Å; I836-Y873 HydrophobicContact CG1-CD2 3.77Å; I836-Y873 HydrophobicContact CG1-CE2 4.27Å
837	D	72.4	Confident	68.9	Low	15.5 Å²	15.5	43.8 Å²	43.8	8%	0.083	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.8	171.4	-61.2	-11.7	0	0	0	108	K811 Y813 K835 F871 K872	K811-D837 WeakPolarHBondContact CD-OD1 3.31Å; K811-D837 VanDerWaalsContact CE-OD2 3.25Å; K811-D837 WeakPolarHBondContact CE-OD2 3.3Å; K811-D837 HydrophobicContact CG-CB 4.5Å; K811-D837 WeakPolarHBondContact CG-OD1 3.38Å; K811-D837 VanDerWaalsContact NZ-CG 3.26Å; K811-D837 IonicContact NZ-OD1 3.98Å; K811-D837 IonicContact NZ-OD2 3.02Å; K811-D837 PolarHBondContact NZ-OD2 3.16Å; Y813-D837 WeakPolarHBondContact CD2-OD1 3.4Å; Y813-D837 WeakPolarHBondContact CE2-OD1 3.28Å; K835-D837 WeakPolarHBondContact CE-OD1 3.42Å; K835-D837 WeakPolarHBondContact CE-OD2 3.23Å; K835-D837 IonicContact NZ-OD1 3.8Å; K835-D837 IonicContact NZ-OD2 2.65Å; K835-D837 PolarHBondContact NZ-OD2 3.44Å; D837-F871 CarbonylContact O-C 3.55Å; D837-F871 VanDerWaalsContact O-CA 3.3Å; D837-F871 WeakPolarHBondContact O-CA 3.43Å; D837-K872 HydrophobicContact CB-CB 4.14Å; D837-K872 PolarHBondContact N-O 3.14Å; D837-K872 PolarHBondContact O-N 3.15Å
838	W	68.9	Low	68.5	Low	124.5 Å²	124.5	42.7 Å²	42.7	47%	0.472	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	108.5	166.7	-71.3	84.2	0	0	0	107.8	S810 K811 F812 I836 L870 F871	S810-W838 PolarHBondContact N-O 3.11Å; S810-W838 CarbonylContact O-C 3.57Å; S810-W838 WeakPolarHBondContact O-CA 3.31Å; S810-W838 PolarHBondContact O-N 3Å; S810-W838 VanDerWaalsContact O-O 3.09Å; S810-W838 WeakPolarHBondContact OG-CB 3.45Å; K811-W838 CarbonylContact C-O 3.58Å; K811-W838 VanDerWaalsContact CA-O 3.32Å; K811-W838 WeakPolarHBondContact CA-O 3.38Å; F812-W838 HydrophobicContact CB-CB 4.16Å; F812-W838 AromaticContact CD2-CD1 3.82Å; F812-W838 PolarHBondContact N-O 3.4Å; F812-W838 PolarHBondContact O-N 3.2Å; I836-W838 HydrophobicContact CG2-CG 4.46Å; I836-W838 VanDerWaalsContact CG2-NE1 3.28Å; W838-L870 CarbonylContact C-O 3.48Å; W838-L870 WeakPolarHBondContact CA-O 3.3Å; W838-F871 AromaticContact CD2-CD2 3.71Å; W838-F871 HydrophobicContact CD2-CD2 3.91Å; W838-F871 HydrophobicContact CD2-CE2 4.27Å; W838-F871 AromaticContact CE2-CD2 3.6Å; W838-F871 VanDerWaalsContact CE2-CD2 3.49Å; W838-F871 AromaticContact CE2-CE2 3.62Å; W838-F871 VanDerWaalsContact CE2-CE2 3.47Å; W838-F871 HydrophobicContact CE3-CB 4.41Å; W838-F871 AromaticContact CE3-CD2 3.88Å; W838-F871 HydrophobicContact CE3-CD2 4.05Å; W838-F871 HydrophobicContact CG-CD2 4.35Å; W838-F871 AromaticContact CH2-CD2 3.81Å; W838-F871 HydrophobicContact CH2-CD2 3.81Å; W838-F871 HydrophobicContact CH2-CE2 4.14Å; W838-F871 HydrophobicContact CH2-CG 4.44Å; W838-F871 AromaticContact CZ2-CD2 3.57Å; W838-F871 HydrophobicContact CZ2-CD2 3.69Å; W838-F871 VanDerWaalsContact CZ2-CD2 3.47Å; W838-F871 AromaticContact CZ2-CE2 3.66Å; W838-F871 HydrophobicContact CZ2-CE2 3.66Å; W838-F871 VanDerWaalsContact CZ2-CE2 3.47Å; W838-F871 HydrophobicContact CZ3-CB 4.32Å; W838-F871 AromaticContact CZ3-CD2 3.84Å; W838-F871 HydrophobicContact CZ3-CD2 4.04Å; W838-F871 HydrophobicContact CZ3-CG 4.45Å; W838-F871 AromaticContact NE1-CD2 3.73Å; W838-F871 AromaticContact NE1-CE2 3.67Å
839	N	70	Confident	68.2	Low	20.25 Å²	20.25	39.7 Å²	39.7	11%	0.108	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.9	176.4	-48.3	-54.3	0	0	0	108.5	H808 K809 S810 K811 Y868 E869 L870	H808-N839 CarbonylContact O-C 3.4Å; H808-N839 WeakPolarHBondContact O-CA 3.3Å; K809-N839 HydrophobicContact CG-CB 4.38Å; S810-N839 CarbonylContact O-C 3.55Å; S810-N839 WeakPolarHBondContact O-CA 3.41Å; K811-N839 WeakPolarHBondContact CD-OD1 3.35Å; K811-N839 WeakPolarHBondContact CE-OD1 3.45Å; K811-N839 WeakPolarHBondContact CG-OD1 3.18Å; N839-Y868 HydrophobicContact CB-CD1 4.12Å; N839-Y868 HydrophobicContact CB-CE1 3.6Å; N839-Y868 WeakPolarHBondContact CB-OH 3.34Å; N839-E869 WeakPolarHBondContact CB-O 3.24Å; N839-E869 PolarHBondContact ND2-O 2.94Å; N839-L870 PolarHBondContact N-O 3.34Å; N839-L870 VanDerWaalsContact O-CA 3.23Å; N839-L870 WeakPolarHBondContact O-CA 3.38Å; N839-L870 WeakPolarHBondContact O-CD2 3.43Å; N839-L870 WeakPolarHBondContact O-CG 3.45Å
840	F	65.7	Low	67.2	Low	95.75 Å²	95.75	41.7 Å²	41.7	42%	0.42	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.3	176.3	-176.3	-106.1	0	0	0	108.5	I806 H808 K809 S810 V842 W864 L870	I806-F840 HydrophobicContact CG2-CD1 4.27Å; I806-F840 HydrophobicContact CG2-CE1 4.32Å; H808-F840 HydrophobicContact CB-CB 4.27Å; H808-F840 AromaticContact CD2-CD1 3.77Å; H808-F840 PolarHBondContact N-O 2.94Å; H808-F840 PolarHBondContact O-N 3.15Å; H808-F840 VanDerWaalsContact O-O 3.1Å; K809-F840 CarbonylContact C-O 3.33Å; K809-F840 WeakPolarHBondContact CA-O 3.36Å; S810-F840 PolarHBondContact N-O 2.92Å; S810-F840 PolarHBondContact O-N 3.28Å; S810-F840 VanDerWaalsContact O-O 3.1Å; F840-V842 HydrophobicContact CD1-CG2 3.99Å; F840-V842 HydrophobicContact CE1-CB 4.32Å; F840-V842 HydrophobicContact CE1-CG2 3.18Å; F840-V842 HydrophobicContact CE2-CG2 4Å; F840-V842 HydrophobicContact CZ-CB 4.49Å; F840-V842 HydrophobicContact CZ-CG2 3.19Å; F840-W864 AromaticContact CD2-CH2 3.83Å; F840-W864 HydrophobicContact CD2-CH2 3.83Å; F840-W864 HydrophobicContact CD2-CZ2 4.36Å; F840-W864 AromaticContact CD2-NE1 3.68Å; F840-W864 HydrophobicContact CE2-CH2 4.31Å; F840-W864 HydrophobicContact CE2-CZ2 4.21Å; F840-L870 HydrophobicContact CD2-CD1 4.46Å
841	H	66.9	Low	66.4	Low	18.25 Å²	18.25	43.8 Å²	43.8	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.3	175.9	-174.8	50	0	0	0	108.5	F805 I806 N807 H808 K809 P863 W864 S865 Y868	F805-H841 AromaticContact CD2-CE1 3.99Å; F805-H841 AromaticContact CE2-CE1 3.23Å; F805-H841 VanDerWaalsContact CE2-CE1 3.43Å; F805-H841 WeakPolarHBondContact CE2-CE1 3.37Å; F805-H841 AromaticContact CE2-ND1 3.9Å; F805-H841 AromaticContact CE2-NE2 3.7Å; F805-H841 AromaticContact CZ-CE1 3.51Å; F805-H841 WeakPolarHBondContact CZ-CE1 3.46Å; F805-H841 AromaticContact CZ-ND1 3.81Å; I806-H841 CarbonylContact O-C 3.56Å; I806-H841 WeakPolarHBondContact O-CA 3.45Å; N807-H841 PolarHBondContact OD1-CE1 2.71Å; H808-H841 CarbonylContact O-C 3.53Å; H808-H841 VanDerWaalsContact O-CA 3.31Å; H808-H841 WeakPolarHBondContact O-CA 3.26Å; H808-H841 PolarHBondContact O-ND1 3.25Å; K809-H841 WeakPolarHBondContact CE-CD2 3.39Å; K809-H841 VanDerWaalsContact CE-CE1 3.45Å; K809-H841 WeakPolarHBondContact CE-CE1 3.25Å; K809-H841 WeakPolarHBondContact CE-NE2 3.29Å; K809-H841 HydrophobicContact CG-CB 4.37Å; K809-H841 VanDerWaalsContact CG-CD2 3.49Å; K809-H841 WeakPolarHBondContact CG-CD2 3.4Å; K809-H841 VanDerWaalsContact CG-ND1 3.25Å; K809-H841 WeakPolarHBondContact CG-ND1 3.48Å; H841-P863 CarbonylContact C-O 3.56Å; H841-P863 PolarHBondContact CD2-O 2.77Å; H841-P863 CarbonylContact O-C 3.59Å; H841-W864 HydrophobicContact CB-CE3 4.34Å; H841-W864 HydrophobicContact CB-CZ3 4.48Å; H841-W864 AromaticContact ND1-CD1 3.92Å; H841-W864 VanDerWaalsContact O-CD1 3.28Å; H841-W864 PolarHBondContact O-N 3.42Å; H841-W864 PolarHBondContact O-NE1 3.11Å; H841-S865 PolarHBondContact NE2-OG 3.43Å; H841-S865 VanDerWaalsContact NE2-OG 3.12Å; H841-Y868 HydrophobicContact CB-CD1 3.97Å; H841-Y868 HydrophobicContact CB-CD2 4.27Å; H841-Y868 HydrophobicContact CB-CE1 3.72Å; H841-Y868 VanDerWaalsContact CB-CE1 3.47Å; H841-Y868 HydrophobicContact CB-CE2 3.95Å; H841-Y868 HydrophobicContact CB-CG 4.26Å
842	V	62.7	Low	65.4	Low	18.25 Å²	18.25	49.2 Å²	49.2	11%	0.111	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	118.9	172.4	174.7	0	0	0	0	107.1	I806 N807 H808 F840 N844 F861 P863	I806-V842 HydrophobicContact CB-CB 4.36Å; I806-V842 PolarHBondContact N-O 2.71Å; I806-V842 PolarHBondContact O-N 2.83Å; N807-V842 CarbonylContact C-O 3.59Å; N807-V842 VanDerWaalsContact CA-O 3.31Å; N807-V842 WeakPolarHBondContact CA-O 3.36Å; H808-V842 HydrophobicContact CB-CB 4.38Å; H808-V842 PolarHBondContact N-O 2.9Å; H808-V842 PolarHBondContact O-N 3.46Å; F840-V842 HydrophobicContact CD1-CG2 3.99Å; F840-V842 HydrophobicContact CE1-CB 4.32Å; F840-V842 HydrophobicContact CE1-CG2 3.18Å; F840-V842 HydrophobicContact CE2-CG2 4Å; F840-V842 HydrophobicContact CZ-CB 4.49Å; F840-V842 HydrophobicContact CZ-CG2 3.19Å; V842-N844 HydrophobicContact CG1-CB 4.38Å; V842-N844 VanDerWaalsContact CG1-CG 3.41Å; V842-N844 WeakPolarHBondContact CG1-ND2 3.26Å; V842-N844 VanDerWaalsContact CG1-OD1 3.31Å; V842-N844 WeakPolarHBondContact CG1-OD1 3.16Å; V842-F861 HydrophobicContact CG1-CE2 4.07Å; V842-F861 HydrophobicContact CG1-CZ 4.2Å; V842-P863 WeakPolarHBondContact CA-O 3.43Å; V842-P863 PolarHBondContact N-O 2.89Å
843	N	66.4	Low	64.4	Low	46.5 Å²	46.5	53.2 Å²	53.2	25%	0.249	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	95.7	172.3	-167.9	31.9	0	0	0	108.4	F805 I806 D862	F805-N843 WeakPolarHBondContact CZ-OD1 3.4Å; I806-N843 CarbonylContact O-C 3.53Å; I806-N843 WeakPolarHBondContact O-CA 3.46Å; N843-D862 CarbonylContact C-O 3.57Å; N843-D862 WeakPolarHBondContact CA-O 3.48Å; N843-D862 HydrophobicContact CB-CB 4.33Å; N843-D862 WeakPolarHBondContact CB-O 3.11Å; N843-D862 PolarHBondContact N-O 3.11Å; N843-D862 PolarHBondContact ND2-OD2 3.07Å; N843-D862 CarbonylContact O-C 3.54Å; N843-D862 WeakPolarHBondContact O-CA 3.49Å; N843-D862 WeakPolarHBondContact O-CB 3.41Å; N843-D862 PolarHBondContact O-N 2.97Å; N843-D862 VanDerWaalsContact O-N 3.09Å
844	N	63.5	Low	63.4	Low	32.5 Å²	32.5	54.3 Å²	54.3	17%	0.174	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.4	-178.6	-64.1	-19.5	0	0	0	109.1	S803 L804 I806 V842 L860 F861	S803-N844 WeakPolarHBondContact CA-O 3.32Å; L804-N844 PolarHBondContact N-O 3.17Å; L804-N844 PolarHBondContact O-N 3.15Å; I806-N844 CarbonylContact C-O 3.52Å; I806-N844 HydrophobicContact CB-CB 4.34Å; I806-N844 PolarHBondContact N-O 3.16Å; I806-N844 PolarHBondContact O-N 3.04Å; I806-N844 VanDerWaalsContact O-O 3.12Å; V842-N844 HydrophobicContact CG1-CB 4.38Å; V842-N844 VanDerWaalsContact CG1-CG 3.41Å; V842-N844 WeakPolarHBondContact CG1-ND2 3.26Å; V842-N844 VanDerWaalsContact CG1-OD1 3.31Å; V842-N844 WeakPolarHBondContact CG1-OD1 3.16Å; N844-L860 CarbonylContact C-O 3.51Å; N844-L860 WeakPolarHBondContact CA-O 3.37Å; N844-L860 WeakPolarHBondContact CB-O 3.23Å; N844-F861 HydrophobicContact CB-CD1 4.48Å; N844-F861 HydrophobicContact CB-CE1 4.46Å; N844-F861 VanDerWaalsContact CG-CD1 3.45Å; N844-F861 WeakPolarHBondContact ND2-CD1 3.49Å; N844-F861 WeakPolarHBondContact ND2-CD2 3.1Å; N844-F861 WeakPolarHBondContact ND2-CE1 3.41Å; N844-F861 WeakPolarHBondContact ND2-CE2 3.31Å; N844-F861 WeakPolarHBondContact OD1-CA 3.41Å; N844-F861 WeakPolarHBondContact OD1-CD1 3.31Å; N844-F861 WeakPolarHBondContact OD1-CD2 3.24Å; N844-F861 WeakPolarHBondContact OD1-CE1 3.43Å; N844-F861 WeakPolarHBondContact OD1-CE2 3.29Å; N844-F861 WeakPolarHBondContact OD1-CG 3.47Å
845	S	65.6	Low	62.6	Low	34.25 Å²	34.25	53.8 Å²	53.8	24%	0.24	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.2	165.8	64.6	0	0	0	0	110.3	F802 L804 I859 L860	F802-S845 WeakPolarHBondContact O-CA 3.26Å; L804-S845 CarbonylContact O-C 3.6Å; L804-S845 VanDerWaalsContact O-CA 3.25Å; L804-S845 WeakPolarHBondContact O-CA 3.42Å; S845-I859 CarbonylContact O-C 3.47Å; S845-L860 PolarHBondContact N-O 3.22Å; S845-L860 WeakPolarHBondContact O-CA 3.37Å; S845-L860 WeakPolarHBondContact O-CB 3.38Å; S845-L860 PolarHBondContact O-N 3.18Å; S845-L860 VanDerWaalsContact OG-CB 3.25Å; S845-L860 WeakPolarHBondContact OG-CB 3.35Å; S845-L860 WeakPolarHBondContact OG-CD1 3.15Å
846	F	59	Low	61.8	Low	51.75 Å²	51.75	52.3 Å²	52.3	23%	0.227	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.9	176.1	175.6	-89.7	0	0	0	107.6	L688 Y800 Q801 F802 S803 L804 L848 L857 E858 I859	L688-F846 HydrophobicContact CD2-CD2 4.25Å; L688-F846 HydrophobicContact CD2-CE1 4.11Å; L688-F846 HydrophobicContact CD2-CE2 3.48Å; L688-F846 VanDerWaalsContact CD2-CE2 3.48Å; L688-F846 HydrophobicContact CD2-CZ 3.4Å; Y800-F846 WeakPolarHBondContact O-CD1 3.07Å; Q801-F846 WeakPolarHBondContact CA-O 3.37Å; F802-F846 AromaticContact CD1-CD1 3.73Å; F802-F846 HydrophobicContact CD1-CD1 3.73Å; F802-F846 AromaticContact CD1-CE1 3.74Å; F802-F846 HydrophobicContact CD1-CE1 3.74Å; F802-F846 AromaticContact CE1-CD1 3.65Å; F802-F846 HydrophobicContact CE1-CD1 3.65Å; F802-F846 AromaticContact CE1-CE1 3.88Å; F802-F846 HydrophobicContact CE1-CE1 3.88Å; F802-F846 PolarHBondContact N-O 2.99Å; F802-F846 PolarHBondContact O-N 3.06Å; S803-F846 CarbonylContact C-O 3.49Å; S803-F846 WeakPolarHBondContact CA-O 3.44Å; L804-F846 HydrophobicContact CB-CB 4.35Å; L804-F846 PolarHBondContact N-O 3.07Å; L804-F846 PolarHBondContact O-N 2.8Å; F846-L848 HydrophobicContact CD1-CB 4.47Å; F846-L848 HydrophobicContact CE1-CB 3.63Å; F846-L848 HydrophobicContact CZ-CB 3.91Å; F846-L848 HydrophobicContact CZ-CD2 4.44Å; F846-L857 HydrophobicContact CD2-CD1 3.98Å; F846-L857 HydrophobicContact CE1-CD1 4.3Å; F846-L857 HydrophobicContact CE2-CD1 3.39Å; F846-L857 HydrophobicContact CE2-CG 4.31Å; F846-L857 HydrophobicContact CZ-CD1 3.56Å; F846-E858 CarbonylContact C-O 3.55Å; F846-E858 WeakPolarHBondContact CA-O 3.27Å; F846-I859 HydrophobicContact CD2-CD1 4.16Å; F846-I859 HydrophobicContact CD2-CG1 3.89Å; F846-I859 HydrophobicContact CE2-CD1 4.17Å; F846-I859 HydrophobicContact CE2-CG1 4.17Å
847	K	62.9	Low	61.1	Low	67.75 Å²	67.75	52.2 Å²	52.2	30%	0.295	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123	172.9	-176.9	175	169.5	-144.6	0	109	Q801 F802 F805 L857 E858	Q801-K847 HydrophobicContact CG-CB 4.21Å; Q801-K847 HydrophobicContact CG-CD 4.17Å; Q801-K847 HydrophobicContact CG-CG 3.86Å; F802-K847 CarbonylContact O-C 3.54Å; F802-K847 WeakPolarHBondContact O-CA 3.37Å; F805-K847 HydrophobicContact CZ-CD 4.44Å; K847-L857 CarbonylContact O-C 3.56Å; K847-L857 WeakPolarHBondContact O-CA 3.48Å; K847-E858 HydrophobicContact CB-CB 4.16Å; K847-E858 WeakPolarHBondContact CD-OE2 3.35Å; K847-E858 WeakPolarHBondContact CE-OE2 3.16Å; K847-E858 HydrophobicContact CG-CB 4.31Å; K847-E858 PolarHBondContact N-O 3.12Å; K847-E858 IonicContact NZ-OE1 3.76Å; K847-E858 IonicContact NZ-OE2 3.44Å; K847-E858 PolarHBondContact NZ-OE2 3.31Å; K847-E858 PolarHBondContact O-N 3Å
848	L	52.8	Low	60.7	Low	31.5 Å²	31.5	53.4 Å²	53.4	17%	0.165	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.1	171.1	177.8	74.3	0	0	0	106.8	N798 Y800 F802 F846 T850 L855 L856 L857	N798-L848 PolarHBondContact ND2-O 3.19Å; Y800-L848 CarbonylContact C-O 3.56Å; Y800-L848 WeakPolarHBondContact CB-O 3.44Å; Y800-L848 HydrophobicContact CD1-CD2 3.81Å; Y800-L848 HydrophobicContact CE1-CD2 4.41Å; Y800-L848 HydrophobicContact CG-CD2 4.22Å; Y800-L848 HydrophobicContact CG-CG 4.43Å; Y800-L848 PolarHBondContact O-N 3.04Å; F802-L848 HydrophobicContact CB-CB 4.45Å; F802-L848 PolarHBondContact N-O 3.06Å; F802-L848 PolarHBondContact O-N 3.13Å; F846-L848 HydrophobicContact CD1-CB 4.47Å; F846-L848 HydrophobicContact CE1-CB 3.63Å; F846-L848 HydrophobicContact CZ-CB 3.91Å; F846-L848 HydrophobicContact CZ-CD2 4.44Å; L848-T850 HydrophobicContact CD1-CG2 4.28Å; L848-T850 HydrophobicContact CD2-CG2 4.14Å; L848-T850 HydrophobicContact CG-CG2 4.15Å; L848-L855 HydrophobicContact CD1-CD1 4.36Å; L848-L855 HydrophobicContact CD1-CD2 3.95Å; L848-L855 HydrophobicContact CD1-CG 4.24Å; L848-L856 CarbonylContact C-O 3.57Å; L848-L856 WeakPolarHBondContact CA-O 3.41Å; L848-L857 HydrophobicContact CB-CD1 4.41Å; L848-L857 HydrophobicContact CD1-CB 4.17Å; L848-L857 HydrophobicContact CD1-CD1 3.99Å
849	A	60.8	Low	60.3	Low	21 Å²	21	49.4 Å²	49.4	17%	0.174	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.6	171.7	0	0	0	0	0	108.6	Y800 Q801 L855 L856	Y800-A849 CarbonylContact O-C 3.46Å; Q801-A849 HydrophobicContact CB-CB 4.19Å; Q801-A849 HydrophobicContact CG-CB 4.12Å; A849-L855 CarbonylContact O-C 3.3Å; A849-L855 VanDerWaalsContact O-CA 3.26Å; A849-L855 WeakPolarHBondContact O-CA 3.38Å; A849-L856 HydrophobicContact CB-CB 4.28Å; A849-L856 HydrophobicContact CB-CD2 4.35Å; A849-L856 PolarHBondContact N-O 3.02Å; A849-L856 PolarHBondContact O-N 2.9Å
850	T	48.9	Very low	59.9	Low	49.75 Å²	49.75	50.9 Å²	50.9	31%	0.305	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	103.6	179.4	63.7	0	0	0	0	108.7	Y800 L848 N854 L855	Y800-T850 WeakPolarHBondContact CB-O 3.35Å; Y800-T850 WeakPolarHBondContact CB-OG1 3.49Å; Y800-T850 PolarHBondContact N-O 3.03Å; Y800-T850 PolarHBondContact O-N 3.31Å; L848-T850 HydrophobicContact CD1-CG2 4.28Å; L848-T850 HydrophobicContact CD2-CG2 4.14Å; L848-T850 HydrophobicContact CG-CG2 4.15Å; T850-N854 CarbonylContact C-O 3.37Å; T850-N854 WeakPolarHBondContact CA-O 2.88Å; T850-L855 HydrophobicContact CG2-CD1 3.87Å; T850-L855 HydrophobicContact CG2-CD2 4.31Å; T850-L855 HydrophobicContact CG2-CG 4.05Å
851	D	58.7	Low	59.6	Low	94.75 Å²	94.75	50.2 Å²	50.2	51%	0.507	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	157.5	163.4	-71.1	-15.6	0	0	0	108.2	Y696 P799 N853 N854	Y696-D851 PolarHBondContact OH-O 2.93Å; P799-D851 HydrophobicContact CB-CB 4.14Å; P799-D851 WeakPolarHBondContact CB-OD1 3.43Å; P799-D851 WeakPolarHBondContact CG-OD1 3.46Å; D851-N853 PolarHBondContact O-N 3.21Å; D851-N854 HydrophobicContact CB-CB 4.22Å; D851-N854 PolarHBondContact N-O 3.12Å; D851-N854 CarbonylContact O-C 3.55Å; D851-N854 PolarHBondContact O-N 2.99Å; D851-N854 VanDerWaalsContact O-N 3.12Å; D851-N854 VanDerWaalsContact O-O 3.1Å
852	P	53.8	Low	59.4	Low	127.75 Å²	127.75	51.8 Å²	51.8	83%	0.83	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-30.1	-178.5	6.1	-15.1	0	0	0	113.7
853	N	54.1	Low	59.2	Low	87.5 Å²	87.5	52.1 Å²	52.1	47%	0.468	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-14.1	-178.3	-65.8	-2.6	0	0	0	113.5	D851 C916 S918 L945 S946	D851-N853 PolarHBondContact O-N 3.21Å; N853-C916 CarbonylContact C-O 3.47Å; N853-C916 WeakPolarHBondContact CA-O 3.43Å; N853-C916 HydrophobicContact CB-CB 4.26Å; N853-C916 WeakPolarHBondContact CB-O 3.29Å; N853-C916 CarbonylContact O-C 3.53Å; N853-C916 VanDerWaalsContact O-CA 3.27Å; N853-C916 WeakPolarHBondContact O-CA 3.36Å; N853-C916 VanDerWaalsContact O-CB 3.25Å; N853-C916 WeakPolarHBondContact O-CB 3.37Å; N853-C916 PolarHBondContact O-N 3.14Å; N853-S918 WeakPolarHBondContact ND2-CB 3.46Å; N853-L945 WeakPolarHBondContact O-CA 3.39Å; N853-S946 WeakPolarHBondContact CB-O 3.44Å; N853-S946 PolarHBondContact O-N 3.19Å; N853-S946 VanDerWaalsContact O-N 3.1Å
854	N	55.6	Low	58.9	Low	51 Å²	51	51.8 Å²	51.8	27%	0.273	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131	-172.4	-122.6	-3.4	0	0	0	112.1	T850 D851 K914 L915 C916 N943 Y944 L945	T850-N854 CarbonylContact C-O 3.37Å; T850-N854 WeakPolarHBondContact CA-O 2.88Å; D851-N854 HydrophobicContact CB-CB 4.22Å; D851-N854 PolarHBondContact N-O 3.12Å; D851-N854 CarbonylContact O-C 3.55Å; D851-N854 PolarHBondContact O-N 2.99Å; D851-N854 VanDerWaalsContact O-N 3.12Å; D851-N854 VanDerWaalsContact O-O 3.1Å; N854-K914 CarbonylContact C-O 3.6Å; N854-K914 WeakPolarHBondContact CA-O 3.39Å; N854-L915 WeakPolarHBondContact ND2-CD2 3.35Å; N854-L915 VanDerWaalsContact OD1-CA 3.31Å; N854-L915 WeakPolarHBondContact OD1-CA 3.42Å; N854-L915 VanDerWaalsContact OD1-CD2 3.31Å; N854-L915 WeakPolarHBondContact OD1-CD2 3.47Å; N854-L915 WeakPolarHBondContact OD1-CG 3.45Å; N854-C916 PolarHBondContact OD1-N 3.33Å; N854-N943 PolarHBondContact OD1-OD1 3.44Å; N854-Y944 CarbonylContact C-O 3.53Å; N854-Y944 VanDerWaalsContact CA-O 3.29Å; N854-Y944 WeakPolarHBondContact CA-O 3.43Å; N854-Y944 PolarHBondContact OD1-O 3.48Å; N854-L945 HydrophobicContact CB-CD2 3.75Å
855	L	56.2	Low	58.6	Low	44 Å²	44	52.8 Å²	52.8	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.3	171.3	-163.6	135.8	0	0	0	110.2	Y696 L848 A849 T850 L857 E913 K914 F942 N943 Y944	Y696-L855 HydrophobicContact CD1-CD2 4.25Å; Y696-L855 HydrophobicContact CD2-CD1 3.68Å; Y696-L855 HydrophobicContact CD2-CD2 4.22Å; Y696-L855 HydrophobicContact CE1-CB 4.16Å; Y696-L855 HydrophobicContact CE1-CD1 3.88Å; Y696-L855 HydrophobicContact CE1-CD2 3.46Å; Y696-L855 VanDerWaalsContact CE1-CD2 3.46Å; Y696-L855 HydrophobicContact CE1-CG 3.93Å; Y696-L855 HydrophobicContact CE2-CB 4.12Å; Y696-L855 HydrophobicContact CE2-CD1 3.88Å; Y696-L855 HydrophobicContact CE2-CD2 3.39Å; Y696-L855 HydrophobicContact CE2-CG 4.38Å; Y696-L855 VanDerWaalsContact CZ-CD1 3.46Å; Y696-L855 WeakPolarHBondContact OH-CD1 3.3Å; Y696-L855 VanDerWaalsContact OH-CD2 3.31Å; Y696-L855 WeakPolarHBondContact OH-CD2 2.91Å; Y696-L855 WeakPolarHBondContact OH-CG 3.35Å; L848-L855 HydrophobicContact CD1-CD1 4.36Å; L848-L855 HydrophobicContact CD1-CD2 3.95Å; L848-L855 HydrophobicContact CD1-CG 4.24Å; A849-L855 CarbonylContact O-C 3.3Å; A849-L855 VanDerWaalsContact O-CA 3.26Å; A849-L855 WeakPolarHBondContact O-CA 3.38Å; T850-L855 HydrophobicContact CG2-CD1 3.87Å; T850-L855 HydrophobicContact CG2-CD2 4.31Å; T850-L855 HydrophobicContact CG2-CG 4.05Å; L855-L857 HydrophobicContact CD2-CB 4.48Å; L855-E913 CarbonylContact O-C 3.54Å; L855-E913 VanDerWaalsContact O-C 3.31Å; L855-E913 WeakPolarHBondContact O-CA 3.46Å; L855-K914 HydrophobicContact CB-CB 4.08Å; L855-K914 PolarHBondContact N-O 2.84Å; L855-K914 PolarHBondContact O-N 3.21Å; L855-F942 HydrophobicContact CD2-CD1 3.75Å; L855-F942 HydrophobicContact CD2-CE1 3.6Å; L855-N943 VanDerWaalsContact O-CA 3.3Å; L855-N943 WeakPolarHBondContact O-CA 3.14Å; L855-Y944 PolarHBondContact N-O 3.07Å; L855-Y944 PolarHBondContact O-N 3.1Å
856	L	60.3	Low	58.2	Low	37 Å²	37	59.9 Å²	59.9	19%	0.194	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.6	-177.6	-170.1	138.4	0	0	0	109.5	L848 A849 E858 N911 I912 E913 F942 N943	L848-L856 CarbonylContact C-O 3.57Å; L848-L856 WeakPolarHBondContact CA-O 3.41Å; A849-L856 HydrophobicContact CB-CB 4.28Å; A849-L856 HydrophobicContact CB-CD2 4.35Å; A849-L856 PolarHBondContact N-O 3.02Å; A849-L856 PolarHBondContact O-N 2.9Å; L856-E858 HydrophobicContact CD2-CB 4.32Å; L856-E858 HydrophobicContact CD2-CG 3.71Å; L856-E858 HydrophobicContact CG-CG 4.16Å; L856-N911 WeakPolarHBondContact CD2-OD1 3.44Å; L856-I912 CarbonylContact C-O 3.56Å; L856-I912 WeakPolarHBondContact CA-O 3.1Å; L856-E913 HydrophobicContact CB-CG 4.29Å; L856-E913 HydrophobicContact CD1-CG 3.9Å; L856-E913 WeakPolarHBondContact CD1-OE1 3.28Å; L856-E913 HydrophobicContact CG-CB 4.33Å; L856-E913 VanDerWaalsContact CG-CD 3.46Å; L856-E913 HydrophobicContact CG-CG 3.76Å; L856-E913 VanDerWaalsContact CG-OE1 3.25Å; L856-E913 WeakPolarHBondContact CG-OE1 3.44Å; L856-F942 CarbonylContact C-O 3.56Å; L856-F942 WeakPolarHBondContact CA-O 3.3Å; L856-N943 HydrophobicContact CD1-CB 4.35Å
857	L	58	Low	58.1	Low	27.25 Å²	27.25	62.4 Å²	62.4	14%	0.143	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	108.5	175.8	173.7	90.1	0	0	0	109.4	I692 F846 K847 L848 L855 I859 L910 N911 I912 N941 F942	I692-L857 HydrophobicContact CD1-CD1 4.24Å; I692-L857 HydrophobicContact CG1-CD1 3.92Å; F846-L857 HydrophobicContact CD2-CD1 3.98Å; F846-L857 HydrophobicContact CE1-CD1 4.3Å; F846-L857 HydrophobicContact CE2-CD1 3.39Å; F846-L857 HydrophobicContact CE2-CG 4.31Å; F846-L857 HydrophobicContact CZ-CD1 3.56Å; K847-L857 CarbonylContact O-C 3.56Å; K847-L857 WeakPolarHBondContact O-CA 3.48Å; L848-L857 HydrophobicContact CB-CD1 4.41Å; L848-L857 HydrophobicContact CD1-CB 4.17Å; L848-L857 HydrophobicContact CD1-CD1 3.99Å; L855-L857 HydrophobicContact CD2-CB 4.48Å; L857-I859 HydrophobicContact CD1-CD1 4.38Å; L857-I859 HydrophobicContact CD1-CG1 3.99Å; L857-I859 HydrophobicContact CD2-CD1 4.13Å; L857-I859 HydrophobicContact CD2-CG1 4.18Å; L857-I859 HydrophobicContact CG-CD1 4.45Å; L857-I859 HydrophobicContact CG-CG1 4.17Å; L857-L910 HydrophobicContact CD2-CD2 4.47Å; L857-L910 VanDerWaalsContact O-O 3.11Å; L857-N911 CarbonylContact O-C 3.56Å; L857-N911 VanDerWaalsContact O-CA 3.29Å; L857-N911 WeakPolarHBondContact O-CA 3.35Å; L857-N911 PolarHBondContact O-OD1 2.66Å; L857-I912 HydrophobicContact CB-CB 4.27Å; L857-I912 HydrophobicContact CD2-CB 4.05Å; L857-I912 HydrophobicContact CD2-CD1 3.98Å; L857-I912 HydrophobicContact CD2-CG1 4.02Å; L857-I912 PolarHBondContact N-O 3.08Å; L857-I912 PolarHBondContact O-N 2.87Å; L857-N941 WeakPolarHBondContact O-CA 3.28Å; L857-F942 HydrophobicContact CB-CB 4.25Å; L857-F942 HydrophobicContact CD2-CB 4.31Å; L857-F942 PolarHBondContact N-O 3.16Å; L857-F942 PolarHBondContact O-N 3.22Å
858	E	63.2	Low	58.1	Low	41 Å²	41	61.1 Å²	61.1	19%	0.192	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.1	172.6	-74.4	175.3	163.6	0	0	109.7	F846 K847 L856 L910 N911 F939 L940	F846-E858 CarbonylContact C-O 3.55Å; F846-E858 WeakPolarHBondContact CA-O 3.27Å; K847-E858 HydrophobicContact CB-CB 4.16Å; K847-E858 WeakPolarHBondContact CD-OE2 3.35Å; K847-E858 WeakPolarHBondContact CE-OE2 3.16Å; K847-E858 HydrophobicContact CG-CB 4.31Å; K847-E858 PolarHBondContact N-O 3.12Å; K847-E858 IonicContact NZ-OE1 3.76Å; K847-E858 IonicContact NZ-OE2 3.44Å; K847-E858 PolarHBondContact NZ-OE2 3.31Å; K847-E858 PolarHBondContact O-N 3Å; L856-E858 HydrophobicContact CD2-CB 4.32Å; L856-E858 HydrophobicContact CD2-CG 3.71Å; L856-E858 HydrophobicContact CG-CG 4.16Å; E858-L910 CarbonylContact C-O 3.59Å; E858-L910 WeakPolarHBondContact CA-O 3.22Å; E858-N911 HydrophobicContact CG-CB 4.03Å; E858-N911 WeakPolarHBondContact CG-ND2 3.18Å; E858-N911 WeakPolarHBondContact CG-OD1 3.21Å; E858-N911 PolarHBondContact OE1-ND2 3.43Å; E858-N911 VanDerWaalsContact OE1-ND2 3.14Å; E858-F939 HydrophobicContact CB-CE2 3.98Å; E858-F939 HydrophobicContact CB-CZ 4.31Å; E858-F939 HydrophobicContact CG-CE2 4.05Å; E858-F939 HydrophobicContact CG-CZ 3.87Å; E858-L940 WeakPolarHBondContact CA-O 3.27Å
859	I	60.8	Low	58.7	Low	40 Å²	40	61.7 Å²	61.7	21%	0.205	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.5	168.3	-49.1	-176.5	0	0	0	107.9	S845 F846 L857 F861 H909 L910 F939 L940	S845-I859 CarbonylContact O-C 3.47Å; F846-I859 HydrophobicContact CD2-CD1 4.16Å; F846-I859 HydrophobicContact CD2-CG1 3.89Å; F846-I859 HydrophobicContact CE2-CD1 4.17Å; F846-I859 HydrophobicContact CE2-CG1 4.17Å; L857-I859 HydrophobicContact CD1-CD1 4.38Å; L857-I859 HydrophobicContact CD1-CG1 3.99Å; L857-I859 HydrophobicContact CD2-CD1 4.13Å; L857-I859 HydrophobicContact CD2-CG1 4.18Å; L857-I859 HydrophobicContact CG-CD1 4.45Å; L857-I859 HydrophobicContact CG-CG1 4.17Å; I859-F861 HydrophobicContact CB-CE2 4.31Å; I859-F861 HydrophobicContact CG2-CD2 3.72Å; I859-F861 HydrophobicContact CG2-CE2 3.41Å; I859-F861 VanDerWaalsContact CG2-CE2 3.49Å; I859-F861 HydrophobicContact CG2-CZ 4.08Å; I859-H909 CarbonylContact O-C 3.58Å; I859-H909 WeakPolarHBondContact O-CA 3.45Å; I859-H909 PolarHBondContact O-ND1 3.36Å; I859-L910 HydrophobicContact CB-CB 4.22Å; I859-L910 HydrophobicContact CD1-CD2 4.19Å; I859-L910 HydrophobicContact CG1-CD2 4.29Å; I859-L910 PolarHBondContact N-O 3.07Å; I859-L910 PolarHBondContact O-N 2.87Å; I859-F939 WeakPolarHBondContact O-CA 3.41Å; I859-L940 HydrophobicContact CB-CB 4.24Å; I859-L940 HydrophobicContact CB-CD1 4.44Å; I859-L940 HydrophobicContact CD1-CD1 4.47Å; I859-L940 PolarHBondContact N-O 3.15Å; I859-L940 PolarHBondContact O-N 2.95Å
860	L	62.4	Low	58.7	Low	51 Å²	51	62.3 Å²	62.3	27%	0.267	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.3	171.7	-127.6	140.7	0	0	0	108.1	N844 S845 D862 H909 F939 T966	N844-L860 CarbonylContact C-O 3.51Å; N844-L860 WeakPolarHBondContact CA-O 3.37Å; N844-L860 WeakPolarHBondContact CB-O 3.23Å; S845-L860 PolarHBondContact N-O 3.22Å; S845-L860 WeakPolarHBondContact O-CA 3.37Å; S845-L860 WeakPolarHBondContact O-CB 3.38Å; S845-L860 PolarHBondContact O-N 3.18Å; S845-L860 VanDerWaalsContact OG-CB 3.25Å; S845-L860 WeakPolarHBondContact OG-CB 3.35Å; S845-L860 WeakPolarHBondContact OG-CD1 3.15Å; L860-D862 HydrophobicContact CD2-CB 3.74Å; L860-D862 WeakPolarHBondContact CD2-OD1 3.02Å; L860-H909 HydrophobicContact CD2-CB 3.98Å; L860-H909 VanDerWaalsContact CD2-CD2 3.48Å; L860-H909 WeakPolarHBondContact CD2-CD2 3.41Å; L860-H909 VanDerWaalsContact CD2-ND1 3.26Å; L860-H909 WeakPolarHBondContact CD2-ND1 3.49Å; L860-H909 HydrophobicContact CG-CB 4.41Å; L860-H909 VanDerWaalsContact CG-CE1 3.42Å; L860-H909 WeakPolarHBondContact CG-CE1 3.17Å; L860-H909 WeakPolarHBondContact CG-ND1 3.45Å; L860-F939 HydrophobicContact CB-CD2 4.34Å; L860-F939 HydrophobicContact CD1-CD2 4.2Å; L860-T966 HydrophobicContact CD1-CG2 4.22Å
861	F	58.6	Low	59.6	Low	80.5 Å²	80.5	61.5 Å²	61.5	35%	0.353	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	101.6	167.2	-122.4	-97.1	0	0	0	107.5	V842 N844 I859 P863 F908 G937 F938 L940	V842-F861 HydrophobicContact CG1-CE2 4.07Å; V842-F861 HydrophobicContact CG1-CZ 4.2Å; N844-F861 HydrophobicContact CB-CD1 4.48Å; N844-F861 HydrophobicContact CB-CE1 4.46Å; N844-F861 VanDerWaalsContact CG-CD1 3.45Å; N844-F861 WeakPolarHBondContact ND2-CD1 3.49Å; N844-F861 WeakPolarHBondContact ND2-CD2 3.1Å; N844-F861 WeakPolarHBondContact ND2-CE1 3.41Å; N844-F861 WeakPolarHBondContact ND2-CE2 3.31Å; N844-F861 WeakPolarHBondContact OD1-CA 3.41Å; N844-F861 WeakPolarHBondContact OD1-CD1 3.31Å; N844-F861 WeakPolarHBondContact OD1-CD2 3.24Å; N844-F861 WeakPolarHBondContact OD1-CE1 3.43Å; N844-F861 WeakPolarHBondContact OD1-CE2 3.29Å; N844-F861 WeakPolarHBondContact OD1-CG 3.47Å; I859-F861 HydrophobicContact CB-CE2 4.31Å; I859-F861 HydrophobicContact CG2-CD2 3.72Å; I859-F861 HydrophobicContact CG2-CE2 3.41Å; I859-F861 VanDerWaalsContact CG2-CE2 3.49Å; I859-F861 HydrophobicContact CG2-CZ 4.08Å; F861-P863 HydrophobicContact CD1-CB 4.3Å; F861-P863 HydrophobicContact CD1-CG 3.83Å; F861-P863 HydrophobicContact CE1-CB 3.78Å; F861-P863 HydrophobicContact CE1-CG 3.63Å; F861-P863 HydrophobicContact CZ-CB 4.08Å; F861-P863 HydrophobicContact CZ-CG 4.43Å; F861-P863 WeakPolarHBondContact O-CD 3.28Å; F861-F908 WeakPolarHBondContact CA-O 3.46Å; F861-F908 HydrophobicContact CB-CB 4.26Å; F861-F908 HydrophobicContact CB-CD1 4.33Å; F861-F908 WeakPolarHBondContact CB-O 3.38Å; F861-F908 HydrophobicContact CD2-CD1 4.24Å; F861-F908 PolarHBondContact N-O 3.04Å; F861-F908 PolarHBondContact O-N 2.97Å; F861-G937 CarbonylContact O-C 3.56Å; F861-G937 WeakPolarHBondContact O-CA 3.27Å; F861-F938 HydrophobicContact CB-CD1 4.15Å; F861-F938 HydrophobicContact CB-CD2 4.26Å; F861-F938 HydrophobicContact CB-CE1 3.81Å; F861-F938 HydrophobicContact CB-CE2 4.13Å; F861-F938 HydrophobicContact CB-CG 4.46Å; F861-F938 HydrophobicContact CB-CZ 3.8Å; F861-F938 HydrophobicContact CD1-CD1 4.36Å; F861-F938 AromaticContact CD1-CE1 3.67Å; F861-F938 HydrophobicContact CD1-CE1 3.9Å; F861-F938 AromaticContact CD1-CZ 3.88Å; F861-F938 HydrophobicContact CD1-CZ 4Å; F861-F938 HydrophobicContact CD2-CD1 4.43Å; F861-F938 AromaticContact CD2-CD2 3.79Å; F861-F938 HydrophobicContact CD2-CD2 3.79Å; F861-F938 AromaticContact CD2-CE1 3.86Å; F861-F938 HydrophobicContact CD2-CE1 3.86Å; F861-F938 AromaticContact CD2-CE2 3.12Å; F861-F938 HydrophobicContact CD2-CE2 3.12Å; F861-F938 HydrophobicContact CD2-CG 4.4Å; F861-F938 AromaticContact CD2-CZ 3.17Å; F861-F938 HydrophobicContact CD2-CZ 3.17Å; F861-F938 HydrophobicContact CE1-CZ 4.04Å; F861-F938 HydrophobicContact CE2-CD2 4.34Å; F861-F938 HydrophobicContact CE2-CE1 4.4Å; F861-F938 AromaticContact CE2-CE2 3.31Å; F861-F938 HydrophobicContact CE2-CE2 3.31Å; F861-F938 AromaticContact CE2-CZ 3.35Å; F861-F938 HydrophobicContact CE2-CZ 3.35Å; F861-F938 HydrophobicContact CG-CD1 4.32Å; F861-F938 HydrophobicContact CG-CD2 4.46Å; F861-F938 AromaticContact CG-CE1 3.79Å; F861-F938 HydrophobicContact CG-CE1 3.79Å; F861-F938 AromaticContact CG-CE2 3.87Å; F861-F938 HydrophobicContact CG-CE2 3.87Å; F861-F938 AromaticContact CG-CZ 3.64Å; F861-F938 HydrophobicContact CG-CZ 3.64Å; F861-F938 VanDerWaalsContact CG-CZ 3.45Å; F861-F938 HydrophobicContact CZ-CE2 4.19Å; F861-F938 AromaticContact CZ-CZ 3.8Å; F861-F938 HydrophobicContact CZ-CZ 3.8Å; F861-F938 PolarHBondContact N-O 3.39Å; F861-F938 PolarHBondContact O-N 3.22Å; F861-L940 HydrophobicContact CE2-CD1 4.48Å
862	D	62.9	Low	60.2	Low	52.5 Å²	52.5	59.5 Å²	59.5	28%	0.281	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	97.2	175.8	-151.2	-0.6	0	0	0	109.5	N843 L860 W864 S865	N843-D862 CarbonylContact C-O 3.57Å; N843-D862 WeakPolarHBondContact CA-O 3.48Å; N843-D862 HydrophobicContact CB-CB 4.33Å; N843-D862 WeakPolarHBondContact CB-O 3.11Å; N843-D862 PolarHBondContact N-O 3.11Å; N843-D862 PolarHBondContact ND2-OD2 3.07Å; N843-D862 CarbonylContact O-C 3.54Å; N843-D862 WeakPolarHBondContact O-CA 3.49Å; N843-D862 WeakPolarHBondContact O-CB 3.41Å; N843-D862 PolarHBondContact O-N 2.97Å; N843-D862 VanDerWaalsContact O-N 3.09Å; L860-D862 HydrophobicContact CD2-CB 3.74Å; L860-D862 WeakPolarHBondContact CD2-OD1 3.02Å; D862-W864 VanDerWaalsContact C-N 3.32Å; D862-W864 PolarHBondContact O-N 3.21Å; D862-W864 PolarHBondContact OD1-N 3.24Å; D862-S865 VanDerWaalsContact CG-CA 3.49Å; D862-S865 WeakPolarHBondContact OD1-CA 3.35Å; D862-S865 VanDerWaalsContact OD2-CA 3.28Å; D862-S865 WeakPolarHBondContact OD2-CA 3.3Å; D862-S865 WeakPolarHBondContact OD2-CB 3.29Å
863	P	58.3	Low	61	Low	24.5 Å²	24.5	54.8 Å²	54.8	16%	0.159	27%	0.266	C	S	.	.			trans	-65.2	48.8	178.7	26.9	-31.3	0	0	0	109.7	H841 V842 F861 N906 W907 A935	H841-P863 CarbonylContact C-O 3.56Å; H841-P863 PolarHBondContact CD2-O 2.77Å; H841-P863 CarbonylContact O-C 3.59Å; V842-P863 WeakPolarHBondContact CA-O 3.43Å; V842-P863 PolarHBondContact N-O 2.89Å; F861-P863 HydrophobicContact CD1-CB 4.3Å; F861-P863 HydrophobicContact CD1-CG 3.83Å; F861-P863 HydrophobicContact CE1-CB 3.78Å; F861-P863 HydrophobicContact CE1-CG 3.63Å; F861-P863 HydrophobicContact CZ-CB 4.08Å; F861-P863 HydrophobicContact CZ-CG 4.43Å; F861-P863 WeakPolarHBondContact O-CD 3.28Å; P863-N906 VanDerWaalsContact CD-O 3.31Å; P863-N906 WeakPolarHBondContact CD-O 3.46Å; P863-N906 WeakPolarHBondContact CG-O 3.47Å; P863-W907 HydrophobicContact CG-CE3 3.8Å; P863-W907 HydrophobicContact CG-CZ3 4.32Å; P863-A935 HydrophobicContact CG-CB 4.3Å
864	W	60	Low	61.8	Low	41.5 Å²	41.5	51.6 Å²	51.6	16%	0.157	25%	0.25	C	S	.	.			trans	-125.6	125	-177	-50.4	-15.3	0	0	0	112.9	F840 H841 D862 Y866 Y868 L870 F902 P904 I932 A935	F840-W864 AromaticContact CD2-CH2 3.83Å; F840-W864 HydrophobicContact CD2-CH2 3.83Å; F840-W864 HydrophobicContact CD2-CZ2 4.36Å; F840-W864 AromaticContact CD2-NE1 3.68Å; F840-W864 HydrophobicContact CE2-CH2 4.31Å; F840-W864 HydrophobicContact CE2-CZ2 4.21Å; H841-W864 HydrophobicContact CB-CE3 4.34Å; H841-W864 HydrophobicContact CB-CZ3 4.48Å; H841-W864 AromaticContact ND1-CD1 3.92Å; H841-W864 VanDerWaalsContact O-CD1 3.28Å; H841-W864 PolarHBondContact O-N 3.42Å; H841-W864 PolarHBondContact O-NE1 3.11Å; D862-W864 VanDerWaalsContact C-N 3.32Å; D862-W864 PolarHBondContact O-N 3.21Å; D862-W864 PolarHBondContact OD1-N 3.24Å; W864-Y866 PolarHBondContact O-N 2.75Å; W864-Y868 HydrophobicContact CB-CG 4.35Å; W864-Y868 HydrophobicContact CD2-CD1 4.28Å; W864-Y868 AromaticContact CE3-CD1 3.26Å; W864-Y868 HydrophobicContact CE3-CD1 3.66Å; W864-Y868 HydrophobicContact CE3-CD2 4.49Å; W864-Y868 AromaticContact CE3-CE1 3.69Å; W864-Y868 HydrophobicContact CE3-CE1 3.69Å; W864-Y868 AromaticContact CE3-CG 3.7Å; W864-Y868 HydrophobicContact CE3-CG 3.7Å; W864-Y868 HydrophobicContact CG-CD1 4.28Å; W864-Y868 HydrophobicContact CG-CG 4.35Å; W864-Y868 AromaticContact CZ3-CD1 3.44Å; W864-Y868 HydrophobicContact CZ3-CD1 3.44Å; W864-Y868 VanDerWaalsContact CZ3-CD1 3.44Å; W864-Y868 AromaticContact CZ3-CE1 3.47Å; W864-Y868 HydrophobicContact CZ3-CE1 3.47Å; W864-Y868 VanDerWaalsContact CZ3-CE1 3.47Å; W864-Y868 HydrophobicContact CZ3-CG 4.33Å; W864-L870 HydrophobicContact CD2-CD2 4.21Å; W864-L870 HydrophobicContact CD2-CG 3.94Å; W864-L870 HydrophobicContact CE3-CB 4.41Å; W864-L870 HydrophobicContact CE3-CD1 4.15Å; W864-L870 HydrophobicContact CE3-CD2 4.29Å; W864-L870 HydrophobicContact CE3-CG 3.7Å; W864-L870 HydrophobicContact CG-CD2 4.27Å; W864-L870 HydrophobicContact CH2-CB 3.96Å; W864-L870 HydrophobicContact CH2-CD1 2.99Å; W864-L870 HydrophobicContact CH2-CD2 3.39Å; W864-L870 HydrophobicContact CH2-CG 3.86Å; W864-L870 HydrophobicContact CZ2-CD1 3.61Å; W864-L870 VanDerWaalsContact CZ2-CD1 3.41Å; W864-L870 HydrophobicContact CZ2-CD2 3.79Å; W864-L870 HydrophobicContact CZ2-CG 3.42Å; W864-L870 VanDerWaalsContact CZ2-CG 3.42Å; W864-L870 HydrophobicContact CZ3-CB 3.54Å; W864-L870 HydrophobicContact CZ3-CD1 3.47Å; W864-L870 HydrophobicContact CZ3-CD2 3.73Å; W864-L870 HydrophobicContact CZ3-CG 3.88Å; W864-F902 HydrophobicContact CE3-CB 3.82Å; W864-F902 HydrophobicContact CE3-CG 4.42Å; W864-F902 HydrophobicContact CH2-CD2 4.24Å; W864-F902 HydrophobicContact CH2-CG 4.48Å; W864-F902 HydrophobicContact CZ3-CB 3.48Å; W864-F902 VanDerWaalsContact CZ3-CB 3.48Å; W864-F902 HydrophobicContact CZ3-CD1 4.46Å; W864-F902 AromaticContact CZ3-CD2 3.56Å; W864-F902 HydrophobicContact CZ3-CD2 3.56Å; W864-F902 HydrophobicContact CZ3-CE2 4.39Å; W864-F902 AromaticContact CZ3-CG 3.59Å; W864-F902 HydrophobicContact CZ3-CG 3.59Å; W864-P904 HydrophobicContact CB-CG 4.13Å; W864-P904 HydrophobicContact CD2-CB 4.17Å; W864-P904 HydrophobicContact CD2-CG 3.4Å; W864-P904 HydrophobicContact CE3-CB 3.59Å; W864-P904 HydrophobicContact CE3-CG 3.31Å; W864-P904 HydrophobicContact CG-CG 3.76Å; W864-P904 HydrophobicContact CH2-CB 4.37Å; W864-P904 HydrophobicContact CH2-CG 4.48Å; W864-P904 HydrophobicContact CZ3-CB 3.72Å; W864-P904 HydrophobicContact CZ3-CG 3.91Å; W864-I932 HydrophobicContact CB-CD1 4.41Å; W864-I932 HydrophobicContact CD2-CD1 3.26Å; W864-I932 HydrophobicContact CE3-CD1 3.62Å; W864-I932 HydrophobicContact CG-CD1 3.58Å; W864-I932 HydrophobicContact CH2-CD1 4.22Å; W864-I932 HydrophobicContact CZ2-CD1 3.89Å; W864-I932 HydrophobicContact CZ3-CD1 4.07Å; W864-A935 HydrophobicContact CD2-CB 4.03Å; W864-A935 HydrophobicContact CE3-CB 3.85Å; W864-A935 HydrophobicContact CH2-CB 3.57Å; W864-A935 HydrophobicContact CZ2-CB 3.91Å; W864-A935 HydrophobicContact CZ3-CB 3.59Å
865	S	57.8	Low	62.6	Low	53 Å²	53	50.6 Å²	50.6	37%	0.371	24%	0.243	S	C	.	.			trans	-58.5	139.7	174	57.9	0	0	0	0	113.5	H841 D862 N867 Y868	H841-S865 PolarHBondContact NE2-OG 3.43Å; H841-S865 VanDerWaalsContact NE2-OG 3.12Å; D862-S865 VanDerWaalsContact CG-CA 3.49Å; D862-S865 WeakPolarHBondContact OD1-CA 3.35Å; D862-S865 VanDerWaalsContact OD2-CA 3.28Å; D862-S865 WeakPolarHBondContact OD2-CA 3.3Å; D862-S865 WeakPolarHBondContact OD2-CB 3.29Å; S865-N867 PolarHBondContact O-N 3.16Å; S865-Y868 VanDerWaalsContact O-CB 3.31Å; S865-Y868 WeakPolarHBondContact O-CB 3.27Å; S865-Y868 PolarHBondContact O-N 3.26Å; S865-Y868 VanDerWaalsContact O-N 3.15Å
866	Y	57.6	Low	63.4	Low	183.25 Å²	183.25	50.7 Å²	50.7	72%	0.719	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	141	177.9	-108.9	-90.8	0	0	0	110.6	W864 Y868 P904 I933	W864-Y866 PolarHBondContact O-N 2.75Å; Y866-Y868 PolarHBondContact O-N 2.88Å; Y866-P904 HydrophobicContact CD1-CB 4.5Å; Y866-P904 HydrophobicContact CD1-CG 3.56Å; Y866-P904 HydrophobicContact CD2-CG 4.5Å; Y866-P904 HydrophobicContact CE1-CG 3.52Å; Y866-P904 HydrophobicContact CE2-CG 4.46Å; Y866-P904 HydrophobicContact CG-CG 4.06Å; Y866-I933 WeakPolarHBondContact CD2-O 3.42Å; Y866-I933 WeakPolarHBondContact CE2-O 3.46Å
867	N	56.9	Low	63.9	Low	103.75 Å²	103.75	49.5 Å²	49.5	56%	0.555	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	42.9	46.2	178.2	-65.9	-32.4	0	0	0	114.4	S865 E869 I932 I933	S865-N867 PolarHBondContact O-N 3.16Å; N867-E869 PolarHBondContact O-N 2.95Å; N867-E869 VanDerWaalsContact O-N 3.15Å; N867-I932 CarbonylContact C-O 3.58Å; N867-I932 WeakPolarHBondContact CA-O 3.21Å; N867-I932 PolarHBondContact N-O 3.21Å; N867-I933 PolarHBondContact N-O 2.77Å
868	Y	62.9	Low	64.5	Low	41.5 Å²	41.5	50.4 Å²	50.4	16%	0.163	24%	0.241	C	C	.	.			trans	-76.2	122.5	177.3	-160.8	-95.6	0	0	0	111	N807 N839 H841 W864 S865 Y866 L870 N931 I932 I933	N807-Y868 PolarHBondContact OD1-OH 3.23Å; N807-Y868 VanDerWaalsContact OD1-OH 3.07Å; N839-Y868 HydrophobicContact CB-CD1 4.12Å; N839-Y868 HydrophobicContact CB-CE1 3.6Å; N839-Y868 WeakPolarHBondContact CB-OH 3.34Å; H841-Y868 HydrophobicContact CB-CD1 3.97Å; H841-Y868 HydrophobicContact CB-CD2 4.27Å; H841-Y868 HydrophobicContact CB-CE1 3.72Å; H841-Y868 VanDerWaalsContact CB-CE1 3.47Å; H841-Y868 HydrophobicContact CB-CE2 3.95Å; H841-Y868 HydrophobicContact CB-CG 4.26Å; W864-Y868 HydrophobicContact CB-CG 4.35Å; W864-Y868 HydrophobicContact CD2-CD1 4.28Å; W864-Y868 AromaticContact CE3-CD1 3.26Å; W864-Y868 HydrophobicContact CE3-CD1 3.66Å; W864-Y868 HydrophobicContact CE3-CD2 4.49Å; W864-Y868 AromaticContact CE3-CE1 3.69Å; W864-Y868 HydrophobicContact CE3-CE1 3.69Å; W864-Y868 AromaticContact CE3-CG 3.7Å; W864-Y868 HydrophobicContact CE3-CG 3.7Å; W864-Y868 HydrophobicContact CG-CD1 4.28Å; W864-Y868 HydrophobicContact CG-CG 4.35Å; W864-Y868 AromaticContact CZ3-CD1 3.44Å; W864-Y868 HydrophobicContact CZ3-CD1 3.44Å; W864-Y868 VanDerWaalsContact CZ3-CD1 3.44Å; W864-Y868 AromaticContact CZ3-CE1 3.47Å; W864-Y868 HydrophobicContact CZ3-CE1 3.47Å; W864-Y868 VanDerWaalsContact CZ3-CE1 3.47Å; W864-Y868 HydrophobicContact CZ3-CG 4.33Å; S865-Y868 VanDerWaalsContact O-CB 3.31Å; S865-Y868 WeakPolarHBondContact O-CB 3.27Å; S865-Y868 PolarHBondContact O-N 3.26Å; S865-Y868 VanDerWaalsContact O-N 3.15Å; Y866-Y868 PolarHBondContact O-N 2.88Å; Y868-L870 PolarHBondContact O-N 3.08Å; Y868-L870 VanDerWaalsContact O-N 3.11Å; Y868-N931 WeakPolarHBondContact O-CA 3.41Å; Y868-I932 PolarHBondContact N-O 2.93Å; Y868-I932 PolarHBondContact O-N 3.46Å; Y868-I933 VanDerWaalsContact O-O 3.1Å
869	E	65.4	Low	64.8	Low	43.75 Å²	43.75	52.1 Å²	52.1	20%	0.204	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	95.6	177.6	-119.7	-178.8	158.8	0	0	109.9	N839 N867 F871 K872 R899 T901 Q929 N931 I932 I933	N839-E869 WeakPolarHBondContact CB-O 3.24Å; N839-E869 PolarHBondContact ND2-O 2.94Å; N867-E869 PolarHBondContact O-N 2.95Å; N867-E869 VanDerWaalsContact O-N 3.15Å; E869-F871 VanDerWaalsContact C-N 3.3Å; E869-F871 PolarHBondContact O-N 3.06Å; E869-K872 HydrophobicContact CG-CB 4.18Å; E869-K872 WeakPolarHBondContact OE1-CB 3.19Å; E869-K872 WeakPolarHBondContact OE1-CD 3.29Å; E869-K872 WeakPolarHBondContact OE1-CG 3.47Å; E869-K872 IonicContact OE1-NZ 3.07Å; E869-K872 PolarHBondContact OE1-NZ 2.82Å; E869-K872 WeakPolarHBondContact OE2-CB 3.26Å; E869-K872 VanDerWaalsContact OE2-CD 3.28Å; E869-K872 WeakPolarHBondContact OE2-CD 3.36Å; E869-K872 WeakPolarHBondContact OE2-CG 3.46Å; E869-K872 IonicContact OE2-NZ 3.24Å; E869-K872 PolarHBondContact OE2-NZ 3.28Å; E869-R899 VanDerWaalsContact CD-NH2 3.31Å; E869-R899 HydrophobicContact CG-CG 4.06Å; E869-R899 WeakPolarHBondContact OE1-CD 3.19Å; E869-R899 WeakPolarHBondContact OE1-CG 3.35Å; E869-R899 IonicContact OE1-CZ 2.78Å; E869-R899 VanDerWaalsContact OE1-CZ 3.32Å; E869-R899 IonicContact OE1-NE 2.83Å; E869-R899 PolarHBondContact OE1-NE 3.01Å; E869-R899 IonicContact OE1-NH2 3.7Å; E869-R899 PolarHBondContact OE1-NH2 3.28Å; E869-R899 IonicContact OE2-CZ 2.69Å; E869-R899 IonicContact OE2-NE 2.86Å; E869-R899 PolarHBondContact OE2-NE 3.46Å; E869-R899 IonicContact OE2-NH2 3.39Å; E869-R899 PolarHBondContact OE2-NH2 3.11Å; E869-T901 HydrophobicContact CG-CG2 4.02Å; E869-T901 VanDerWaalsContact OE1-CG2 3.26Å; E869-T901 WeakPolarHBondContact OE1-CG2 3.3Å; E869-Q929 HydrophobicContact CG-CG 4.18Å; E869-Q929 PolarHBondContact OE2-NE2 3.01Å; E869-N931 WeakPolarHBondContact CA-OD1 3.46Å; E869-N931 HydrophobicContact CG-CB 4.47Å; E869-N931 PolarHBondContact OE1-ND2 3.41Å; E869-I932 CarbonylContact C-O 3.55Å; E869-I932 WeakPolarHBondContact CA-O 3.47Å; E869-I933 HydrophobicContact CG-CG1 4.29Å
870	L	61.3	Low	65.1	Low	32.25 Å²	32.25	50.8 Å²	50.8	17%	0.169	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	-43.8	176.3	-114.8	174.7	0	0	0	112.3	W838 N839 F840 W864 Y868 F902 P904 L910 I930 I932	W838-L870 CarbonylContact C-O 3.48Å; W838-L870 WeakPolarHBondContact CA-O 3.3Å; N839-L870 PolarHBondContact N-O 3.34Å; N839-L870 VanDerWaalsContact O-CA 3.23Å; N839-L870 WeakPolarHBondContact O-CA 3.38Å; N839-L870 WeakPolarHBondContact O-CD2 3.43Å; N839-L870 WeakPolarHBondContact O-CG 3.45Å; F840-L870 HydrophobicContact CD2-CD1 4.46Å; W864-L870 HydrophobicContact CD2-CD2 4.21Å; W864-L870 HydrophobicContact CD2-CG 3.94Å; W864-L870 HydrophobicContact CE3-CB 4.41Å; W864-L870 HydrophobicContact CE3-CD1 4.15Å; W864-L870 HydrophobicContact CE3-CD2 4.29Å; W864-L870 HydrophobicContact CE3-CG 3.7Å; W864-L870 HydrophobicContact CG-CD2 4.27Å; W864-L870 HydrophobicContact CH2-CB 3.96Å; W864-L870 HydrophobicContact CH2-CD1 2.99Å; W864-L870 HydrophobicContact CH2-CD2 3.39Å; W864-L870 HydrophobicContact CH2-CG 3.86Å; W864-L870 HydrophobicContact CZ2-CD1 3.61Å; W864-L870 VanDerWaalsContact CZ2-CD1 3.41Å; W864-L870 HydrophobicContact CZ2-CD2 3.79Å; W864-L870 HydrophobicContact CZ2-CG 3.42Å; W864-L870 VanDerWaalsContact CZ2-CG 3.42Å; W864-L870 HydrophobicContact CZ3-CB 3.54Å; W864-L870 HydrophobicContact CZ3-CD1 3.47Å; W864-L870 HydrophobicContact CZ3-CD2 3.73Å; W864-L870 HydrophobicContact CZ3-CG 3.88Å; Y868-L870 PolarHBondContact O-N 3.08Å; Y868-L870 VanDerWaalsContact O-N 3.11Å; L870-F902 HydrophobicContact CB-CB 3.67Å; L870-F902 HydrophobicContact CD1-CB 4.15Å; L870-F902 HydrophobicContact CD1-CD2 3.76Å; L870-F902 HydrophobicContact CD1-CE2 3.82Å; L870-F902 HydrophobicContact CG-CB 4.49Å; L870-F902 HydrophobicContact CG-CD2 4.47Å; L870-F902 PolarHBondContact N-O 3.31Å; L870-P904 HydrophobicContact CD1-CB 4.09Å; L870-P904 HydrophobicContact CD1-CG 3.44Å; L870-P904 VanDerWaalsContact CD1-CG 3.44Å; L870-P904 HydrophobicContact CG-CG 3.72Å; L870-L910 HydrophobicContact CD1-CD2 4.06Å; L870-I930 WeakPolarHBondContact CB-O 3.48Å; L870-I930 HydrophobicContact CD1-CG2 4.24Å; L870-I930 PolarHBondContact N-O 2.87Å; L870-I930 VanDerWaalsContact N-O 3.09Å; L870-I932 HydrophobicContact CB-CB 4.46Å; L870-I932 HydrophobicContact CB-CG2 4.35Å; L870-I932 HydrophobicContact CD1-CD1 3.52Å; L870-I932 HydrophobicContact CD1-CG1 3.34Å; L870-I932 HydrophobicContact CD2-CD1 4.09Å; L870-I932 HydrophobicContact CG-CD1 3.56Å; L870-I932 HydrophobicContact CG-CG1 3.7Å; L870-I932 PolarHBondContact N-O 2.73Å
871	F	66	Low	65.4	Low	33.5 Å²	33.5	51.9 Å²	51.9	15%	0.147	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.4	-174.6	176	-94	0	0	0	108.3	I836 D837 W838 E869 T900 F902 L928 Q929 I930 N931 I932	I836-F871 HydrophobicContact CG2-CD2 4.1Å; I836-F871 HydrophobicContact CG2-CE2 3.41Å; I836-F871 VanDerWaalsContact CG2-CE2 3.46Å; I836-F871 HydrophobicContact CG2-CZ 4.05Å; D837-F871 CarbonylContact O-C 3.55Å; D837-F871 VanDerWaalsContact O-CA 3.3Å; D837-F871 WeakPolarHBondContact O-CA 3.43Å; W838-F871 AromaticContact CD2-CD2 3.71Å; W838-F871 HydrophobicContact CD2-CD2 3.91Å; W838-F871 HydrophobicContact CD2-CE2 4.27Å; W838-F871 AromaticContact CE2-CD2 3.6Å; W838-F871 VanDerWaalsContact CE2-CD2 3.49Å; W838-F871 AromaticContact CE2-CE2 3.62Å; W838-F871 VanDerWaalsContact CE2-CE2 3.47Å; W838-F871 HydrophobicContact CE3-CB 4.41Å; W838-F871 AromaticContact CE3-CD2 3.88Å; W838-F871 HydrophobicContact CE3-CD2 4.05Å; W838-F871 HydrophobicContact CG-CD2 4.35Å; W838-F871 AromaticContact CH2-CD2 3.81Å; W838-F871 HydrophobicContact CH2-CD2 3.81Å; W838-F871 HydrophobicContact CH2-CE2 4.14Å; W838-F871 HydrophobicContact CH2-CG 4.44Å; W838-F871 AromaticContact CZ2-CD2 3.57Å; W838-F871 HydrophobicContact CZ2-CD2 3.69Å; W838-F871 VanDerWaalsContact CZ2-CD2 3.47Å; W838-F871 AromaticContact CZ2-CE2 3.66Å; W838-F871 HydrophobicContact CZ2-CE2 3.66Å; W838-F871 VanDerWaalsContact CZ2-CE2 3.47Å; W838-F871 HydrophobicContact CZ3-CB 4.32Å; W838-F871 AromaticContact CZ3-CD2 3.84Å; W838-F871 HydrophobicContact CZ3-CD2 4.04Å; W838-F871 HydrophobicContact CZ3-CG 4.45Å; W838-F871 AromaticContact NE1-CD2 3.73Å; W838-F871 AromaticContact NE1-CE2 3.67Å; E869-F871 VanDerWaalsContact C-N 3.3Å; E869-F871 PolarHBondContact O-N 3.06Å; F871-T900 CarbonylContact C-O 3.55Å; F871-T900 WeakPolarHBondContact CB-OG1 3.21Å; F871-T900 WeakPolarHBondContact CD1-OG1 3.25Å; F871-T900 VanDerWaalsContact CE1-OG1 3.23Å; F871-T900 WeakPolarHBondContact CE1-OG1 3.23Å; F871-T900 PolarHBondContact O-N 2.94Å; F871-F902 HydrophobicContact CB-CD2 3.74Å; F871-F902 HydrophobicContact CB-CE2 4.3Å; F871-F902 HydrophobicContact CD1-CD2 4.45Å; F871-F902 HydrophobicContact CG-CD2 4.41Å; F871-L928 HydrophobicContact CD1-CD2 4.23Å; F871-L928 HydrophobicContact CE1-CD2 3.85Å; F871-Q929 WeakPolarHBondContact O-CA 3.49Å; F871-I930 HydrophobicContact CB-CB 4.2Å; F871-I930 HydrophobicContact CB-CD1 4.33Å; F871-I930 HydrophobicContact CB-CG1 4.46Å; F871-I930 HydrophobicContact CD1-CD1 4.01Å; F871-I930 HydrophobicContact CD1-CG1 4.15Å; F871-I930 HydrophobicContact CD1-CG2 4.46Å; F871-I930 HydrophobicContact CE1-CB 4.44Å; F871-I930 HydrophobicContact CE1-CG2 4.29Å; F871-I930 HydrophobicContact CG-CD1 4.4Å; F871-I930 PolarHBondContact N-O 2.91Å; F871-I930 PolarHBondContact O-N 3.03Å; F871-N931 CarbonylContact O-C 3.57Å; F871-N931 VanDerWaalsContact O-CA 3.26Å; F871-N931 WeakPolarHBondContact O-CA 3.48Å; F871-I932 HydrophobicContact CB-CB 4.18Å; F871-I932 HydrophobicContact CB-CD1 3.67Å; F871-I932 HydrophobicContact CB-CG1 3.93Å; F871-I932 HydrophobicContact CD1-CD1 4.45Å; F871-I932 HydrophobicContact CD1-CG1 4.49Å; F871-I932 HydrophobicContact CG-CD1 4.32Å; F871-I932 PolarHBondContact O-N 3.33Å
872	K	71.4	Confident	65.8	Low	52 Å²	52	52.2 Å²	52.2	23%	0.226	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.9	170.6	-175.8	-173.9	-170.7	154.8	0	108.8	I836 D837 E869 T874 V927 Q929 I930 N931	I836-K872 CarbonylContact C-O 3.55Å; I836-K872 VanDerWaalsContact CA-O 3.31Å; I836-K872 WeakPolarHBondContact CA-O 3.3Å; D837-K872 HydrophobicContact CB-CB 4.14Å; D837-K872 PolarHBondContact N-O 3.14Å; D837-K872 PolarHBondContact O-N 3.15Å; E869-K872 HydrophobicContact CG-CB 4.18Å; E869-K872 WeakPolarHBondContact OE1-CB 3.19Å; E869-K872 WeakPolarHBondContact OE1-CD 3.29Å; E869-K872 WeakPolarHBondContact OE1-CG 3.47Å; E869-K872 IonicContact OE1-NZ 3.07Å; E869-K872 PolarHBondContact OE1-NZ 2.82Å; E869-K872 WeakPolarHBondContact OE2-CB 3.26Å; E869-K872 VanDerWaalsContact OE2-CD 3.28Å; E869-K872 WeakPolarHBondContact OE2-CD 3.36Å; E869-K872 WeakPolarHBondContact OE2-CG 3.46Å; E869-K872 IonicContact OE2-NZ 3.24Å; E869-K872 PolarHBondContact OE2-NZ 3.28Å; K872-T874 HydrophobicContact CD-CG2 4.28Å; K872-T874 HydrophobicContact CG-CG2 4.1Å; K872-V927 HydrophobicContact CG-CG1 4.25Å; K872-Q929 VanDerWaalsContact CE-NE2 3.28Å; K872-Q929 VanDerWaalsContact NZ-NE2 3.16Å; K872-I930 CarbonylContact C-O 3.56Å; K872-I930 VanDerWaalsContact CA-O 3.32Å; K872-I930 WeakPolarHBondContact CA-O 3.36Å; K872-N931 WeakPolarHBondContact CG-OD1 3.42Å
873	Y	70.7	Confident	65.7	Low	30 Å²	30	53 Å²	53	12%	0.118	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.7	167.4	175.8	-109.4	0	0	0	109	R834 K835 I836 K875 W897 T898 V927 L928 Q929 I930	R834-Y873 HydrophobicContact CB-CE2 4.14Å; R834-Y873 WeakPolarHBondContact CD-OH 3.29Å; R834-Y873 HydrophobicContact CG-CE2 4.25Å; K835-Y873 CarbonylContact O-C 3.44Å; K835-Y873 WeakPolarHBondContact O-CA 3.32Å; K835-Y873 WeakPolarHBondContact O-CD2 3.48Å; I836-Y873 HydrophobicContact CD1-CD2 4.37Å; I836-Y873 HydrophobicContact CG1-CD2 3.77Å; I836-Y873 HydrophobicContact CG1-CE2 4.27Å; Y873-K875 HydrophobicContact CE1-CB 3.83Å; Y873-W897 WeakPolarHBondContact O-CA 3.43Å; Y873-T898 WeakPolarHBondContact CB-OG1 3.26Å; Y873-T898 PolarHBondContact N-O 3.19Å; Y873-T898 PolarHBondContact O-N 3.35Å; Y873-V927 CarbonylContact O-C 3.49Å; Y873-V927 WeakPolarHBondContact O-CA 3.42Å; Y873-L928 HydrophobicContact CD1-CB 4.46Å; Y873-L928 HydrophobicContact CD1-CD2 3.99Å; Y873-L928 HydrophobicContact CE1-CD2 3.78Å; Y873-L928 PolarHBondContact N-O 2.84Å; Y873-L928 PolarHBondContact O-N 2.99Å; Y873-Q929 CarbonylContact O-C 3.57Å; Y873-Q929 VanDerWaalsContact O-CA 3.23Å; Y873-Q929 WeakPolarHBondContact O-CA 3.46Å; Y873-I930 HydrophobicContact CD1-CD1 4.07Å; Y873-I930 HydrophobicContact CD1-CG1 4.36Å; Y873-I930 PolarHBondContact N-O 2.61Å; Y873-I930 PolarHBondContact O-N 3.22Å
874	T	72.3	Confident	66	Low	21 Å²	21	59.2 Å²	59.2	13%	0.129	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.9	170.8	55.6	0	0	0	0	108.8	R834 K835 K872 W897 Q926 V927 L928 Q929	R834-T874 CarbonylContact C-O 3.51Å; R834-T874 VanDerWaalsContact CA-O 3.25Å; R834-T874 WeakPolarHBondContact CA-O 3.16Å; K835-T874 WeakPolarHBondContact CB-OG1 3.33Å; K835-T874 PolarHBondContact N-O 3.2Å; K835-T874 PolarHBondContact O-N 3.19Å; K872-T874 HydrophobicContact CD-CG2 4.28Å; K872-T874 HydrophobicContact CG-CG2 4.1Å; T874-W897 HydrophobicContact CG2-CB 4.3Å; T874-Q926 CarbonylContact C-O 3.59Å; T874-Q926 WeakPolarHBondContact CA-O 3.32Å; T874-V927 HydrophobicContact CG2-CB 4.4Å; T874-V927 HydrophobicContact CG2-CG1 3.87Å; T874-V927 HydrophobicContact CG2-CG2 3.98Å; T874-L928 CarbonylContact C-O 3.58Å; T874-L928 VanDerWaalsContact CA-O 3.31Å; T874-L928 WeakPolarHBondContact CA-O 3.3Å; T874-Q929 HydrophobicContact CG2-CB 4.32Å; T874-Q929 HydrophobicContact CG2-CG 3.96Å
875	K	71.5	Confident	65.9	Low	29.5 Å²	29.5	60.8 Å²	60.8	13%	0.128	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.7	173.4	178.1	-176.8	178.4	-143.8	0	108.3	N257 S832 D833 R834 Y873 D877 N895 H896 I925 Q926 V927 L928	N257-K875 PolarHBondContact ND2-NZ 3.47Å; S832-K875 WeakPolarHBondContact OG-CE 3.43Å; D833-K875 CarbonylContact O-C 3.51Å; D833-K875 WeakPolarHBondContact O-CA 3.25Å; R834-K875 HydrophobicContact CG-CB 4.33Å; R834-K875 HydrophobicContact CG-CG 4.15Å; Y873-K875 HydrophobicContact CE1-CB 3.83Å; K875-D877 VanDerWaalsContact CE-OD1 3.24Å; K875-D877 WeakPolarHBondContact CE-OD1 3.29Å; K875-D877 VanDerWaalsContact CE-OD2 3.27Å; K875-D877 WeakPolarHBondContact CE-OD2 3.31Å; K875-D877 IonicContact NZ-OD1 3.01Å; K875-D877 IonicContact NZ-OD2 3.3Å; K875-D877 PolarHBondContact NZ-OD2 2.96Å; K875-D877 VanDerWaalsContact NZ-OD2 3.09Å; K875-N895 WeakPolarHBondContact O-CA 3.22Å; K875-H896 HydrophobicContact CB-CB 4.36Å; K875-H896 PolarHBondContact N-O 3.02Å; K875-H896 PolarHBondContact O-N 3.17Å; K875-H896 VanDerWaalsContact O-N 3.08Å; K875-I925 WeakPolarHBondContact O-CA 3.3Å; K875-Q926 HydrophobicContact CB-CB 4.3Å; K875-Q926 PolarHBondContact N-O 2.69Å; K875-Q926 PolarHBondContact O-N 3.48Å; K875-V927 WeakPolarHBondContact O-CA 3.39Å; K875-L928 HydrophobicContact CB-CB 4.46Å; K875-L928 PolarHBondContact N-O 2.84Å; K875-L928 PolarHBondContact O-N 3.43Å
876	N	72.8	Confident	65.8	Low	45.75 Å²	45.75	63 Å²	63	25%	0.245	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.9	174.7	-58.8	-18.1	0	0	0	108.2	S832 D833 F878 N895 Q926 V927	S832-N876 CarbonylContact C-O 3.52Å; S832-N876 WeakPolarHBondContact CA-O 2.99Å; D833-N876 HydrophobicContact CB-CB 4.48Å; D833-N876 PolarHBondContact N-O 2.89Å; D833-N876 PolarHBondContact O-N 3.22Å; N876-F878 HydrophobicContact CB-CD2 4.43Å; N876-F878 HydrophobicContact CB-CE1 4.05Å; N876-F878 HydrophobicContact CB-CE2 3.64Å; N876-F878 VanDerWaalsContact CB-CE2 3.48Å; N876-F878 HydrophobicContact CB-CZ 3.44Å; N876-F878 VanDerWaalsContact CB-CZ 3.48Å; N876-N895 PolarHBondContact OD1-OD1 2.97Å; N876-N895 VanDerWaalsContact OD1-OD1 3.12Å; N876-Q926 WeakPolarHBondContact CA-O 3.42Å; N876-V927 HydrophobicContact CB-CG2 4.33Å; N876-V927 WeakPolarHBondContact OD1-CG1 3.48Å; N876-V927 WeakPolarHBondContact OD1-CG2 3.38Å
877	D	71.2	Confident	65.3	Low	11.75 Å²	11.75	57.8 Å²	57.8	6%	0.063	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.1	176.4	-67	-19.1	0	0	0	108.8	F830 Q831 S832 K875 S892 S923 S924 I925 Q926	F830-D877 HydrophobicContact CE2-CB 3.85Å; F830-D877 HydrophobicContact CZ-CB 3.75Å; F830-D877 VanDerWaalsContact CZ-CG 3.41Å; Q831-D877 CarbonylContact O-C 3.51Å; Q831-D877 WeakPolarHBondContact O-CA 3.26Å; S832-D877 VanDerWaalsContact CB-OD1 3.24Å; S832-D877 WeakPolarHBondContact CB-OD1 3.31Å; S832-D877 PolarHBondContact OG-OD1 3.09Å; K875-D877 VanDerWaalsContact CE-OD1 3.24Å; K875-D877 WeakPolarHBondContact CE-OD1 3.29Å; K875-D877 VanDerWaalsContact CE-OD2 3.27Å; K875-D877 WeakPolarHBondContact CE-OD2 3.31Å; K875-D877 IonicContact NZ-OD1 3.01Å; K875-D877 IonicContact NZ-OD2 3.3Å; K875-D877 PolarHBondContact NZ-OD2 2.96Å; K875-D877 VanDerWaalsContact NZ-OD2 3.09Å; D877-S892 VanDerWaalsContact O-O 3.11Å; D877-S923 VanDerWaalsContact O-CA 3.24Å; D877-S923 WeakPolarHBondContact O-CA 3.35Å; D877-S924 WeakPolarHBondContact CB-OG 3.4Å; D877-S924 PolarHBondContact N-O 2.81Å; D877-S924 VanDerWaalsContact N-O 3.13Å; D877-S924 PolarHBondContact O-N 3.47Å; D877-S924 VanDerWaalsContact O-O 3.05Å; D877-I925 WeakPolarHBondContact O-CA 3.44Å; D877-Q926 PolarHBondContact N-O 2.96Å; D877-Q926 PolarHBondContact O-N 3.07Å
878	F	69.5	Low	64.6	Low	46.75 Å²	46.75	56.9 Å²	56.9	21%	0.205	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.3	-179.4	-45.2	-81	0	0	0	110.6	F830 Q831 D833 N876 P885 K893 S924 I925	F830-F878 CarbonylContact C-O 3.55Å; F830-F878 WeakPolarHBondContact CA-O 3.45Å; Q831-F878 HydrophobicContact CB-CB 4.44Å; Q831-F878 HydrophobicContact CB-CD2 4.41Å; Q831-F878 HydrophobicContact CG-CD2 4.34Å; Q831-F878 PolarHBondContact N-O 3.14Å; Q831-F878 PolarHBondContact O-N 3.2Å; D833-F878 HydrophobicContact CB-CE2 4.48Å; D833-F878 WeakPolarHBondContact OD2-CE2 3.35Å; N876-F878 HydrophobicContact CB-CD2 4.43Å; N876-F878 HydrophobicContact CB-CE1 4.05Å; N876-F878 HydrophobicContact CB-CE2 3.64Å; N876-F878 VanDerWaalsContact CB-CE2 3.48Å; N876-F878 HydrophobicContact CB-CZ 3.44Å; N876-F878 VanDerWaalsContact CB-CZ 3.48Å; F878-P885 HydrophobicContact CB-CB 4.44Å; F878-P885 HydrophobicContact CD1-CB 4.46Å; F878-K893 HydrophobicContact CE1-CG 4.44Å; F878-S924 VanDerWaalsContact CA-O 3.31Å; F878-S924 WeakPolarHBondContact CA-O 3.41Å; F878-I925 HydrophobicContact CD1-CD1 4.46Å; F878-I925 HydrophobicContact CD1-CG1 4.13Å; F878-I925 HydrophobicContact CD1-CG2 3.98Å; F878-I925 HydrophobicContact CE1-CG2 4.1Å
879	L	70.7	Confident	63.6	Low	76 Å²	76	63.6 Å²	63.6	40%	0.398	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.1	161.5	-75.7	163.6	0	0	0	109.4	F830 P885 Y886 Y922 S924	F830-L879 HydrophobicContact CD2-CD2 4.21Å; L879-P885 CarbonylContact O-C 3.56Å; L879-P885 WeakPolarHBondContact O-CA 3.26Å; L879-Y886 PolarHBondContact O-N 3.24Å; L879-Y886 VanDerWaalsContact O-N 3.1Å; L879-Y922 HydrophobicContact CD1-CD1 4.3Å; L879-S924 WeakPolarHBondContact CB-OG 3.36Å; L879-S924 VanDerWaalsContact CD1-CB 3.41Å
880	M	67.5	Low	62.4	Low	12.5 Å²	12.5	70 Å²	70	6%	0.062	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.7	177.4	-64.5	-139.6	59.9	0	0	110.1	Q65 R817 Q819 E826 F828 G829 Q831 S883 K884 P885	Q65-M880 PolarHBondContact NE2-O 3.5Å; R817-M880 PolarHBondContact NE-SD 3.36Å; R817-M880 PolarHBondContact NH2-SD 3.48Å; R817-M880 VanDerWaalsContact NH2-SD 3.44Å; Q819-M880 PolarHBondContact NE2-SD 2.71Å; Q819-M880 VanDerWaalsContact NE2-SD 3.37Å; E826-M880 VanDerWaalsContact OE1-CB 3.31Å; E826-M880 WeakPolarHBondContact OE1-CB 3.2Å; F828-M880 CarbonylContact C-O 3.55Å; F828-M880 VanDerWaalsContact CA-O 3.22Å; F828-M880 WeakPolarHBondContact CA-O 3.35Å; F828-M880 WeakPolarHBondContact CB-O 2.97Å; G829-M880 PolarHBondContact N-O 3.07Å; G829-M880 PolarHBondContact O-N 3.25Å; Q831-M880 HydrophobicContact CB-CG 4.17Å; Q831-M880 HydrophobicContact CB-SD 3.97Å; Q831-M880 PolarHBondContact OE1-SD 2.91Å; Q831-M880 VanDerWaalsContact OE1-SD 3.4Å; M880-S883 VanDerWaalsContact CE-O 3.23Å; M880-S883 WeakPolarHBondContact CE-O 3.33Å; M880-K884 WeakPolarHBondContact CA-O 3.3Å; M880-P885 HydrophobicContact SD-CB 4.01Å
881	K	68.7	Low	61.1	Low	73.75 Å²	73.75	74.7 Å²	74.7	32%	0.321	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125.9	170.4	-173.8	178.6	-178	176.7	0	108.5	E95 I96 I827 F828 S883 K884 Y886	E95-K881 PolarHBondContact O-NZ 3.18Å; I96-K881 HydrophobicContact CG1-CD 4.32Å; I96-K881 HydrophobicContact CG2-CG 4.45Å; I827-K881 VanDerWaalsContact O-CA 3.29Å; I827-K881 WeakPolarHBondContact O-CA 3.38Å; I827-K881 VanDerWaalsContact O-CG 3.29Å; I827-K881 WeakPolarHBondContact O-CG 2.83Å; F828-K881 HydrophobicContact CD1-CB 4.16Å; F828-K881 HydrophobicContact CD1-CG 4.08Å; F828-K881 HydrophobicContact CE1-CB 4.09Å; F828-K881 HydrophobicContact CE1-CD 4.06Å; F828-K881 HydrophobicContact CE1-CG 4.05Å; F828-K881 HydrophobicContact CZ-CD 4.16Å; F828-K881 HydrophobicContact CZ-CG 4.26Å; K881-S883 VanDerWaalsContact C-N 3.31Å; K881-S883 PolarHBondContact O-N 3.03Å; K881-K884 PolarHBondContact N-O 2.99Å; K881-K884 PolarHBondContact O-N 3.39Å; K881-K884 VanDerWaalsContact O-N 3.14Å; K881-K884 VanDerWaalsContact O-O 3.07Å; K881-Y886 HydrophobicContact CB-CD2 4.04Å; K881-Y886 HydrophobicContact CB-CG 4.35Å; K881-Y886 HydrophobicContact CD-CD2 3.77Å; K881-Y886 VanDerWaalsContact CD-CD2 3.48Å; K881-Y886 HydrophobicContact CD-CE2 3.98Å; K881-Y886 HydrophobicContact CD-CG 4.45Å; K881-Y886 HydrophobicContact CG-CD2 4.28Å
882	N	66.8	Low	59.6	Low	87.75 Å²	87.75	76.7 Å²	76.7	47%	0.469	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	51	-178	-60	-7.8	0	0	0	113	Q97 E826 I827 K884	Q97-N882 PolarHBondContact O-ND2 2.83Å; Q97-N882 VanDerWaalsContact O-ND2 3.12Å; E826-N882 WeakPolarHBondContact O-CA 3.34Å; E826-N882 PolarHBondContact O-N 3.01Å; E826-N882 VanDerWaalsContact O-N 3.13Å; I827-N882 PolarHBondContact O-N 3.24Å; I827-N882 PolarHBondContact O-OD1 3.06Å; N882-K884 PolarHBondContact O-N 3.15Å; N882-K884 VanDerWaalsContact O-N 3.1Å
883	S	60.6	Low	58	Low	68.75 Å²	68.75	81 Å²	81	48%	0.481	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	10.5	-179	-3.1	0	0	0	0	116.5	E826 M880 K881	E826-S883 PolarHBondContact O-N 2.79Å; E826-S883 PolarHBondContact OE1-OG 3.09Å; E826-S883 VanDerWaalsContact OE2-CA 3.26Å; E826-S883 WeakPolarHBondContact OE2-CA 3.25Å; E826-S883 WeakPolarHBondContact OE2-CB 3.33Å; E826-S883 PolarHBondContact OE2-N 3.07Å; E826-S883 PolarHBondContact OE2-OG 3.02Å; M880-S883 VanDerWaalsContact CE-O 3.23Å; M880-S883 WeakPolarHBondContact CE-O 3.33Å; K881-S883 VanDerWaalsContact C-N 3.31Å; K881-S883 PolarHBondContact O-N 3.03Å
884	K	64.8	Low	56.5	Low	154.5 Å²	154.5	84.4 Å²	84.4	67%	0.672	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.1	174.6	-66.6	179.2	-178.2	177.2	0	110.3	M880 K881 N882 Y886	M880-K884 WeakPolarHBondContact CA-O 3.3Å; K881-K884 PolarHBondContact N-O 2.99Å; K881-K884 PolarHBondContact O-N 3.39Å; K881-K884 VanDerWaalsContact O-N 3.14Å; K881-K884 VanDerWaalsContact O-O 3.07Å; N882-K884 PolarHBondContact O-N 3.15Å; N882-K884 VanDerWaalsContact O-N 3.1Å; K884-Y886 PolarHBondContact O-N 3.34Å
885	P	57.8	Low	55.1	Low	75.25 Å²	75.25	87.1 Å²	87.1	49%	0.489	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	125.1	170.6	24.4	-30.8	0	0	0	109	F878 L879 M880 V887	F878-P885 HydrophobicContact CB-CB 4.44Å; F878-P885 HydrophobicContact CD1-CB 4.46Å; L879-P885 CarbonylContact O-C 3.56Å; L879-P885 WeakPolarHBondContact O-CA 3.26Å; M880-P885 HydrophobicContact SD-CB 4.01Å; P885-V887 HydrophobicContact CB-CG2 4.37Å; P885-V887 PolarHBondContact O-N 3Å; P885-V887 VanDerWaalsContact O-N 3.08Å
886	Y	54.7	Low	53.8	Low	99 Å²	99	90.8 Å²	90.8	39%	0.388	46%	0.457	S	S	.	.			trans	-79.2	102	176.6	-171.9	-100.1	0	0	0	108.4	L879 K881 K884 D888 S892 Y922	L879-Y886 PolarHBondContact O-N 3.24Å; L879-Y886 VanDerWaalsContact O-N 3.1Å; K881-Y886 HydrophobicContact CB-CD2 4.04Å; K881-Y886 HydrophobicContact CB-CG 4.35Å; K881-Y886 HydrophobicContact CD-CD2 3.77Å; K881-Y886 VanDerWaalsContact CD-CD2 3.48Å; K881-Y886 HydrophobicContact CD-CE2 3.98Å; K881-Y886 HydrophobicContact CD-CG 4.45Å; K881-Y886 HydrophobicContact CG-CD2 4.28Å; K884-Y886 PolarHBondContact O-N 3.34Å; Y886-D888 HydrophobicContact CD1-CB 4.27Å; Y886-D888 HydrophobicContact CE1-CB 3.79Å; Y886-D888 VanDerWaalsContact CE1-CG 3.46Å; Y886-D888 VanDerWaalsContact CE1-OD2 3.28Å; Y886-D888 WeakPolarHBondContact CE1-OD2 3.37Å; Y886-D888 VanDerWaalsContact CZ-CG 3.47Å; Y886-D888 VanDerWaalsContact CZ-OD2 3.23Å; Y886-D888 PolarHBondContact O-N 3.03Å; Y886-D888 VanDerWaalsContact OH-CG 3.24Å; Y886-D888 PolarHBondContact OH-OD1 3.34Å; Y886-D888 PolarHBondContact OH-OD2 3Å; Y886-S892 WeakPolarHBondContact O-CB 2.91Å; Y886-S892 PolarHBondContact O-OG 3.35Å; Y886-S892 VanDerWaalsContact O-OG 3.13Å; Y886-Y922 HydrophobicContact CD1-CD1 4.01Å; Y886-Y922 HydrophobicContact CD1-CE1 4.09Å; Y886-Y922 HydrophobicContact CD1-CG 4.35Å; Y886-Y922 HydrophobicContact CE1-CD1 4.41Å; Y886-Y922 HydrophobicContact CE1-CE1 4.06Å
887	V	48.6	Very low	52.3	Low	75.75 Å²	75.75	96.5 Å²	96.5	46%	0.459	48%	0.475	S	S	.	.			trans	-102.9	87.4	175.9	-172.1	0	0	0	0	107.6	P885 F889 I925	P885-V887 HydrophobicContact CB-CG2 4.37Å; P885-V887 PolarHBondContact O-N 3Å; P885-V887 VanDerWaalsContact O-N 3.08Å; V887-F889 VanDerWaalsContact C-N 3.32Å; V887-F889 HydrophobicContact CB-CD2 4.14Å; V887-F889 HydrophobicContact CB-CE2 4.32Å; V887-F889 HydrophobicContact CG1-CD2 3.96Å; V887-F889 HydrophobicContact CG1-CE2 3.9Å; V887-F889 HydrophobicContact CG1-CG 4.47Å; V887-F889 HydrophobicContact CG1-CZ 3.97Å; V887-F889 PolarHBondContact O-N 3.28Å; V887-I925 HydrophobicContact CG1-CD1 4.43Å; V887-I925 HydrophobicContact CG2-CD1 4.16Å
888	D	42.4	Very low	51	Low	83.75 Å²	83.75	99 Å²	99	45%	0.448	49%	0.491	S	S	.	.			trans	-77	109.8	164.3	-115.8	-17.7	0	0	0	107.9	Y886 Q890 L891 S892 Y922	Y886-D888 HydrophobicContact CD1-CB 4.27Å; Y886-D888 HydrophobicContact CE1-CB 3.79Å; Y886-D888 VanDerWaalsContact CE1-CG 3.46Å; Y886-D888 VanDerWaalsContact CE1-OD2 3.28Å; Y886-D888 WeakPolarHBondContact CE1-OD2 3.37Å; Y886-D888 VanDerWaalsContact CZ-CG 3.47Å; Y886-D888 VanDerWaalsContact CZ-OD2 3.23Å; Y886-D888 PolarHBondContact O-N 3.03Å; Y886-D888 VanDerWaalsContact OH-CG 3.24Å; Y886-D888 PolarHBondContact OH-OD1 3.34Å; Y886-D888 PolarHBondContact OH-OD2 3Å; D888-Q890 PolarHBondContact O-N 2.86Å; D888-L891 PolarHBondContact O-N 3.34Å; D888-S892 PolarHBondContact O-OG 2.95Å; D888-Y922 HydrophobicContact CB-CD2 3.66Å; D888-Y922 HydrophobicContact CB-CE2 3.18Å; D888-Y922 WeakPolarHBondContact O-CD2 3.15Å
889	F	40.2	Very low	49.9	Very low	183.25 Å²	183.25	102.7 Å²	102.7	80%	0.804	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	14.4	-171.4	-110.1	-88	0	0	0	113.5	V887 L891	V887-F889 VanDerWaalsContact C-N 3.32Å; V887-F889 HydrophobicContact CB-CD2 4.14Å; V887-F889 HydrophobicContact CB-CE2 4.32Å; V887-F889 HydrophobicContact CG1-CD2 3.96Å; V887-F889 HydrophobicContact CG1-CE2 3.9Å; V887-F889 HydrophobicContact CG1-CG 4.47Å; V887-F889 HydrophobicContact CG1-CZ 3.97Å; V887-F889 PolarHBondContact O-N 3.28Å; F889-L891 PolarHBondContact O-N 2.98Å
890	Q	40.7	Very low	48.9	Very low	178.25 Å²	178.25	102.2 Å²	102.2	83%	0.833	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	7.1	178.6	-68.9	-166.3	-18.8	0	0	114.6	D888	D888-Q890 PolarHBondContact O-N 2.86Å
891	L	33.8	Very low	48	Very low	130.25 Å²	130.25	104.5 Å²	104.5	68%	0.682	52%	0.519	S	S	*	.			trans	-113	85.3	-172.1	-80.2	129.6	0	0	0	113.3	D888 F889 K893	D888-L891 PolarHBondContact O-N 3.34Å; F889-L891 PolarHBondContact O-N 2.98Å; L891-K893 PolarHBondContact O-N 2.89Å
892	S	35.7	Very low	46.9	Very low	75.5 Å²	75.5	105.8 Å²	105.8	53%	0.528	53%	0.525	S	S	.	.			trans	-89.7	53.3	162.6	59.7	0	0	0	0	115.1	D877 Y886 D888 L894	D877-S892 VanDerWaalsContact O-O 3.11Å; Y886-S892 WeakPolarHBondContact O-CB 2.91Å; Y886-S892 PolarHBondContact O-OG 3.35Å; Y886-S892 VanDerWaalsContact O-OG 3.13Å; D888-S892 PolarHBondContact O-OG 2.95Å; S892-L894 VanDerWaalsContact C-N 3.33Å; S892-L894 PolarHBondContact O-N 3.23Å
893	K	37.4	Very low	46.1	Very low	142.5 Å²	142.5	107.5 Å²	107.5	62%	0.62	53%	0.528	S	S	*	.			trans	-99.4	92.7	169.7	-89.9	178.1	177.3	173.9	0	109.9	F878 L891 N895	F878-K893 HydrophobicContact CE1-CG 4.44Å; L891-K893 PolarHBondContact O-N 2.89Å; K893-N895 HydrophobicContact CB-CB 4.43Å; K893-N895 PolarHBondContact O-N 2.99Å
894	L	38.9	Very low	45.6	Very low	101.25 Å²	101.25	106.3 Å²	106.3	53%	0.53	52%	0.518	S	S	.	.			trans	-83.1	78.5	162	-86.7	156.7	0	0	0	108.8	S892 H896 S918	S892-L894 VanDerWaalsContact C-N 3.33Å; S892-L894 PolarHBondContact O-N 3.23Å; L894-H896 VanDerWaalsContact C-N 3.34Å; L894-H896 PolarHBondContact O-N 3.38Å; L894-H896 VanDerWaalsContact O-N 3.1Å; L894-S918 PolarHBondContact O-OG 2.79Å
895	N	42	Very low	44.8	Very low	78 Å²	78	104.4 Å²	104.4	42%	0.417	51%	0.511	S	S	.	.			trans	-86.8	76	177.5	-81.3	-3.6	0	0	0	110.3	K875 N876 K893 W897	K875-N895 WeakPolarHBondContact O-CA 3.22Å; N876-N895 PolarHBondContact OD1-OD1 2.97Å; N876-N895 VanDerWaalsContact OD1-OD1 3.12Å; K893-N895 HydrophobicContact CB-CB 4.43Å; K893-N895 PolarHBondContact O-N 2.99Å; N895-W897 PolarHBondContact O-N 3.21Å
896	H	44.7	Very low	44.4	Very low	107 Å²	107	105.3 Å²	105.3	50%	0.495	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	100.5	169.9	-75.6	-59.9	0	0	0	110.1	K875 L894 T898 C916 S918 D948	K875-H896 HydrophobicContact CB-CB 4.36Å; K875-H896 PolarHBondContact N-O 3.02Å; K875-H896 PolarHBondContact O-N 3.17Å; K875-H896 VanDerWaalsContact O-N 3.08Å; L894-H896 VanDerWaalsContact C-N 3.34Å; L894-H896 PolarHBondContact O-N 3.38Å; L894-H896 VanDerWaalsContact O-N 3.1Å; H896-T898 PolarHBondContact O-N 3.3Å; H896-C916 PolarHBondContact N-O 2.79Å; H896-C916 PolarHBondContact O-N 2.92Å; H896-S918 PolarHBondContact CD2-OG 2.88Å; H896-D948 IonicContact CE1-OD1 3.72Å; H896-D948 PolarHBondContact CE1-OD1 2.72Å; H896-D948 IonicContact ND1-OD1 3.12Å; H896-D948 PolarHBondContact ND1-OD1 2.69Å; H896-D948 VanDerWaalsContact ND1-OD1 3.1Å
897	W	41	Very low	44.1	Very low	164.5 Å²	164.5	106.5 Å²	106.5	62%	0.623	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.7	168.9	-91.9	1.8	0	0	0	108.5	Y873 T874 N895 L915	Y873-W897 WeakPolarHBondContact O-CA 3.43Å; T874-W897 HydrophobicContact CG2-CB 4.3Å; N895-W897 PolarHBondContact O-N 3.21Å; W897-L915 VanDerWaalsContact CD1-CD2 3.43Å; W897-L915 HydrophobicContact CD2-CD2 3.8Å; W897-L915 HydrophobicContact CE3-CD2 4.28Å; W897-L915 HydrophobicContact CG-CD2 3.68Å; W897-L915 HydrophobicContact CH2-CD2 4.39Å; W897-L915 HydrophobicContact CZ2-CD2 3.65Å
898	T	44.9	Very low	44	Very low	64.75 Å²	64.75	106.2 Å²	106.2	40%	0.397	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	107.6	168.1	54.5	0	0	0	0	108.8	Y873 H896 T900 K914	Y873-T898 WeakPolarHBondContact CB-OG1 3.26Å; Y873-T898 PolarHBondContact N-O 3.19Å; Y873-T898 PolarHBondContact O-N 3.35Å; H896-T898 PolarHBondContact O-N 3.3Å; T898-T900 PolarHBondContact O-N 3.27Å; T898-K914 PolarHBondContact N-O 2.83Å; T898-K914 VanDerWaalsContact N-O 3.16Å; T898-K914 PolarHBondContact O-N 2.97Å; T898-K914 VanDerWaalsContact O-N 3.1Å
899	R	46.4	Very low	44.5	Very low	125 Å²	125	103.4 Å²	103.4	47%	0.472	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.2	174	-173.2	-179.7	-140.1	176.1	-1.9	108.3	E869 T901 N911 I912 E913 Y944	E869-R899 VanDerWaalsContact CD-NH2 3.31Å; E869-R899 HydrophobicContact CG-CG 4.06Å; E869-R899 WeakPolarHBondContact OE1-CD 3.19Å; E869-R899 WeakPolarHBondContact OE1-CG 3.35Å; E869-R899 IonicContact OE1-CZ 2.78Å; E869-R899 VanDerWaalsContact OE1-CZ 3.32Å; E869-R899 IonicContact OE1-NE 2.83Å; E869-R899 PolarHBondContact OE1-NE 3.01Å; E869-R899 IonicContact OE1-NH2 3.7Å; E869-R899 PolarHBondContact OE1-NH2 3.28Å; E869-R899 IonicContact OE2-CZ 2.69Å; E869-R899 IonicContact OE2-NE 2.86Å; E869-R899 PolarHBondContact OE2-NE 3.46Å; E869-R899 IonicContact OE2-NH2 3.39Å; E869-R899 PolarHBondContact OE2-NH2 3.11Å; R899-T901 HydrophobicContact CG-CG2 4.1Å; R899-N911 VanDerWaalsContact CZ-ND2 3.34Å; R899-N911 PolarHBondContact NE-ND2 2.79Å; R899-N911 VanDerWaalsContact NE-ND2 3.2Å; R899-N911 PolarHBondContact NH2-ND2 2.88Å; R899-I912 WeakPolarHBondContact CA-O 3.29Å; R899-E913 HydrophobicContact CB-CG 4.21Å; R899-E913 WeakPolarHBondContact CD-OE1 3.4Å; R899-E913 HydrophobicContact CG-CG 3.9Å; R899-E913 IonicContact CZ-OE1 2.99Å; R899-E913 IonicContact NE-OE1 3.09Å; R899-E913 PolarHBondContact NE-OE1 2.89Å; R899-E913 IonicContact NH2-OE1 2.73Å; R899-E913 PolarHBondContact NH2-OE1 2.78Å; R899-Y944 WeakPolarHBondContact O-CA 3.28Å
900	T	48.8	Very low	45.1	Very low	64.5 Å²	64.5	96.2 Å²	96.2	40%	0.396	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.7	169.9	47	0	0	0	0	108.5	F871 T898 N911 I912	F871-T900 CarbonylContact C-O 3.55Å; F871-T900 WeakPolarHBondContact CB-OG1 3.21Å; F871-T900 WeakPolarHBondContact CD1-OG1 3.25Å; F871-T900 VanDerWaalsContact CE1-OG1 3.23Å; F871-T900 WeakPolarHBondContact CE1-OG1 3.23Å; F871-T900 PolarHBondContact O-N 2.94Å; T898-T900 PolarHBondContact O-N 3.27Å; T900-N911 WeakPolarHBondContact O-CA 3.14Å; T900-I912 PolarHBondContact N-O 2.9Å; T900-I912 PolarHBondContact O-N 3.31Å
901	T	48.8	Very low	46	Very low	62 Å²	62	88.1 Å²	88.1	38%	0.38	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.3	173.6	54.6	0	0	0	0	108.7	E869 R899 L910 N911 I933 N943	E869-T901 HydrophobicContact CG-CG2 4.02Å; E869-T901 VanDerWaalsContact OE1-CG2 3.26Å; E869-T901 WeakPolarHBondContact OE1-CG2 3.3Å; R899-T901 HydrophobicContact CG-CG2 4.1Å; T901-L910 CarbonylContact C-O 3.56Å; T901-L910 VanDerWaalsContact CA-O 3.31Å; T901-L910 WeakPolarHBondContact CA-O 3.35Å; T901-N911 VanDerWaalsContact CB-OD1 3.32Å; T901-N911 WeakPolarHBondContact CB-OD1 3.45Å; T901-N911 WeakPolarHBondContact CG2-OD1 3.38Å; T901-I933 HydrophobicContact CG2-CD1 4.14Å; T901-N943 PolarHBondContact N-O 3.02Å
902	F	46.4	Very low	46.8	Very low	101 Å²	101	83.6 Å²	83.6	44%	0.443	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129	171	-122.6	-100.8	0	0	0	109	W864 L870 F871 P904 F905 L910 L940 F942	W864-F902 HydrophobicContact CE3-CB 3.82Å; W864-F902 HydrophobicContact CE3-CG 4.42Å; W864-F902 HydrophobicContact CH2-CD2 4.24Å; W864-F902 HydrophobicContact CH2-CG 4.48Å; W864-F902 HydrophobicContact CZ3-CB 3.48Å; W864-F902 VanDerWaalsContact CZ3-CB 3.48Å; W864-F902 HydrophobicContact CZ3-CD1 4.46Å; W864-F902 AromaticContact CZ3-CD2 3.56Å; W864-F902 HydrophobicContact CZ3-CD2 3.56Å; W864-F902 HydrophobicContact CZ3-CE2 4.39Å; W864-F902 AromaticContact CZ3-CG 3.59Å; W864-F902 HydrophobicContact CZ3-CG 3.59Å; L870-F902 HydrophobicContact CB-CB 3.67Å; L870-F902 HydrophobicContact CD1-CB 4.15Å; L870-F902 HydrophobicContact CD1-CD2 3.76Å; L870-F902 HydrophobicContact CD1-CE2 3.82Å; L870-F902 HydrophobicContact CG-CB 4.49Å; L870-F902 HydrophobicContact CG-CD2 4.47Å; L870-F902 PolarHBondContact N-O 3.31Å; F871-F902 HydrophobicContact CB-CD2 3.74Å; F871-F902 HydrophobicContact CB-CE2 4.3Å; F871-F902 HydrophobicContact CD1-CD2 4.45Å; F871-F902 HydrophobicContact CG-CD2 4.41Å; F902-P904 HydrophobicContact CD1-CB 4.29Å; F902-P904 HydrophobicContact CD1-CG 4.18Å; F902-P904 HydrophobicContact CE1-CB 3.99Å; F902-P904 HydrophobicContact CE1-CG 4.06Å; F902-P904 WeakPolarHBondContact O-CD 3.29Å; F902-F905 HydrophobicContact CD1-CE2 4.43Å; F902-L910 HydrophobicContact CB-CB 4.31Å; F902-L910 HydrophobicContact CB-CD2 4.36Å; F902-L910 PolarHBondContact N-O 2.81Å; F902-L910 PolarHBondContact O-N 2.93Å; F902-L940 HydrophobicContact CD1-CD2 4.23Å; F902-F942 AromaticContact CD1-CE1 3.96Å; F902-F942 HydrophobicContact CD1-CE1 3.96Å; F902-F942 HydrophobicContact CD1-CE2 4.28Å; F902-F942 AromaticContact CD1-CZ 3.69Å; F902-F942 HydrophobicContact CD1-CZ 3.69Å; F902-F942 HydrophobicContact CD2-CD1 4.16Å; F902-F942 AromaticContact CD2-CE1 3.69Å; F902-F942 HydrophobicContact CD2-CE1 3.69Å; F902-F942 HydrophobicContact CD2-CZ 4.29Å; F902-F942 AromaticContact CE1-CE1 3.44Å; F902-F942 HydrophobicContact CE1-CE1 3.44Å; F902-F942 VanDerWaalsContact CE1-CE1 3.44Å; F902-F942 AromaticContact CE1-CE2 3.97Å; F902-F942 HydrophobicContact CE1-CE2 3.97Å; F902-F942 AromaticContact CE1-CZ 3.06Å; F902-F942 HydrophobicContact CE1-CZ 3.06Å; F902-F942 AromaticContact CE2-CD1 3.97Å; F902-F942 HydrophobicContact CE2-CD1 3.97Å; F902-F942 AromaticContact CE2-CE1 3.16Å; F902-F942 HydrophobicContact CE2-CE1 3.16Å; F902-F942 AromaticContact CE2-CZ 3.79Å; F902-F942 HydrophobicContact CE2-CZ 3.79Å; F902-F942 HydrophobicContact CG-CE1 4.1Å; F902-F942 HydrophobicContact CG-CZ 4.29Å; F902-F942 HydrophobicContact CZ-CD1 4.2Å; F902-F942 AromaticContact CZ-CE1 3.03Å; F902-F942 HydrophobicContact CZ-CE1 3.03Å; F902-F942 HydrophobicContact CZ-CE2 4.38Å; F902-F942 AromaticContact CZ-CZ 3.15Å; F902-F942 HydrophobicContact CZ-CZ 3.15Å
903	K	50.7	Low	47.9	Very low	122.75 Å²	122.75	82 Å²	82	53%	0.534	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	96.2	175.7	-63	-173.7	177.2	-178	0	109.4	F905 H909	K903-F905 WeakPolarHBondContact O-CD2 3.41Å; K903-F905 PolarHBondContact O-N 3.02Å; K903-H909 VanDerWaalsContact CD-CE1 3.47Å; K903-H909 WeakPolarHBondContact CD-CE1 3.4Å; K903-H909 WeakPolarHBondContact CG-ND1 3.37Å
904	P	48.5	Very low	48.4	Very low	43 Å²	43	79.2 Å²	79.2	28%	0.279	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	48.4	176.9	28.1	-33.1	0	0	0	110.5	W864 Y866 L870 F902 F908 L940	W864-P904 HydrophobicContact CB-CG 4.13Å; W864-P904 HydrophobicContact CD2-CB 4.17Å; W864-P904 HydrophobicContact CD2-CG 3.4Å; W864-P904 HydrophobicContact CE3-CB 3.59Å; W864-P904 HydrophobicContact CE3-CG 3.31Å; W864-P904 HydrophobicContact CG-CG 3.76Å; W864-P904 HydrophobicContact CH2-CB 4.37Å; W864-P904 HydrophobicContact CH2-CG 4.48Å; W864-P904 HydrophobicContact CZ3-CB 3.72Å; W864-P904 HydrophobicContact CZ3-CG 3.91Å; Y866-P904 HydrophobicContact CD1-CB 4.5Å; Y866-P904 HydrophobicContact CD1-CG 3.56Å; Y866-P904 HydrophobicContact CD2-CG 4.5Å; Y866-P904 HydrophobicContact CE1-CG 3.52Å; Y866-P904 HydrophobicContact CE2-CG 4.46Å; Y866-P904 HydrophobicContact CG-CG 4.06Å; L870-P904 HydrophobicContact CD1-CB 4.09Å; L870-P904 HydrophobicContact CD1-CG 3.44Å; L870-P904 VanDerWaalsContact CD1-CG 3.44Å; L870-P904 HydrophobicContact CG-CG 3.72Å; F902-P904 HydrophobicContact CD1-CB 4.29Å; F902-P904 HydrophobicContact CD1-CG 4.18Å; F902-P904 HydrophobicContact CE1-CB 3.99Å; F902-P904 HydrophobicContact CE1-CG 4.06Å; F902-P904 WeakPolarHBondContact O-CD 3.29Å; P904-F908 HydrophobicContact CG-CD1 3.71Å; P904-F908 HydrophobicContact CG-CE1 4.34Å; P904-L940 HydrophobicContact CB-CD2 4.26Å
905	F	47.8	Very low	48.9	Very low	115.75 Å²	115.75	76.7 Å²	76.7	51%	0.508	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130	169.6	-70.6	-80.7	0	0	0	108.5	F902 K903 W907 F908	F902-F905 HydrophobicContact CD1-CE2 4.43Å; K903-F905 WeakPolarHBondContact O-CD2 3.41Å; K903-F905 PolarHBondContact O-N 3.02Å; F905-W907 VanDerWaalsContact C-N 3.31Å; F905-W907 HydrophobicContact CB-CD2 4.29Å; F905-W907 HydrophobicContact CB-CE3 4.32Å; F905-W907 HydrophobicContact CB-CG 4.27Å; F905-W907 HydrophobicContact CB-CZ2 4.33Å; F905-W907 AromaticContact CD2-CZ2 3.98Å; F905-W907 HydrophobicContact CD2-CZ2 4.14Å; F905-W907 HydrophobicContact CG-CZ2 4.19Å; F905-W907 AromaticContact CG-NE1 3.84Å; F905-W907 PolarHBondContact O-N 3.01Å; F905-W907 VanDerWaalsContact O-N 3.08Å; F905-F908 HydrophobicContact CB-CB 4.44Å; F905-F908 PolarHBondContact O-N 3.15Å; F905-F908 VanDerWaalsContact O-O 3.12Å
906	N	50	Low	49.1	Very low	93.25 Å²	93.25	74.9 Å²	74.9	50%	0.499	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	49.1	167.3	-82.5	-20.8	0	0	0	111.2	P863 F908 K936 F938 R965	P863-N906 VanDerWaalsContact CD-O 3.31Å; P863-N906 WeakPolarHBondContact CD-O 3.46Å; P863-N906 WeakPolarHBondContact CG-O 3.47Å; N906-F908 VanDerWaalsContact C-N 3.32Å; N906-K936 VanDerWaalsContact CG-O 3.26Å; N906-K936 PolarHBondContact ND2-O 3.23Å; N906-K936 PolarHBondContact OD1-N 3.23Å; N906-K936 PolarHBondContact OD1-O 2.74Å; N906-F938 HydrophobicContact CB-CD1 4.4Å; N906-F938 HydrophobicContact CB-CE1 3.96Å; N906-F938 HydrophobicContact CB-CZ 4.29Å; N906-F938 WeakPolarHBondContact ND2-CD1 3.25Å; N906-F938 WeakPolarHBondContact ND2-CD2 3.48Å; N906-F938 WeakPolarHBondContact ND2-CE1 3.32Å; N906-F938 VanDerWaalsContact ND2-CE2 3.3Å; N906-F938 WeakPolarHBondContact ND2-CE2 3.26Å; N906-F938 WeakPolarHBondContact ND2-CG 3.26Å; N906-F938 VanDerWaalsContact ND2-CZ 3.32Å; N906-F938 WeakPolarHBondContact ND2-CZ 3.41Å; N906-R965 PolarHBondContact O-NH2 3.36Å
907	W	48.4	Very low	49	Very low	125 Å²	125	72.3 Å²	72.3	47%	0.473	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	4.4	-178.3	56.5	-79.1	0	0	0	111.3	P863 F905 H909 I933 E934 A935 K936 N979 N980	P863-W907 HydrophobicContact CG-CE3 3.8Å; P863-W907 HydrophobicContact CG-CZ3 4.32Å; F905-W907 VanDerWaalsContact C-N 3.31Å; F905-W907 HydrophobicContact CB-CD2 4.29Å; F905-W907 HydrophobicContact CB-CE3 4.32Å; F905-W907 HydrophobicContact CB-CG 4.27Å; F905-W907 HydrophobicContact CB-CZ2 4.33Å; F905-W907 AromaticContact CD2-CZ2 3.98Å; F905-W907 HydrophobicContact CD2-CZ2 4.14Å; F905-W907 HydrophobicContact CG-CZ2 4.19Å; F905-W907 AromaticContact CG-NE1 3.84Å; F905-W907 PolarHBondContact O-N 3.01Å; F905-W907 VanDerWaalsContact O-N 3.08Å; W907-H909 HydrophobicContact CE3-CB 4.44Å; W907-I933 HydrophobicContact CE3-CG2 4.44Å; W907-I933 HydrophobicContact CH2-CG2 3.92Å; W907-I933 HydrophobicContact CZ3-CB 4.14Å; W907-I933 HydrophobicContact CZ3-CG2 3.4Å; W907-E934 HydrophobicContact CD2-CG 3.75Å; W907-E934 HydrophobicContact CE3-CG 4.06Å; W907-E934 HydrophobicContact CH2-CG 3.47Å; W907-E934 VanDerWaalsContact CH2-CG 3.47Å; W907-E934 HydrophobicContact CZ2-CG 3.12Å; W907-E934 WeakPolarHBondContact CZ2-OE2 3.18Å; W907-E934 HydrophobicContact CZ3-CG 3.93Å; W907-E934 PolarHBondContact NE1-OE2 3.31Å; W907-A935 WeakPolarHBondContact O-CA 3.32Å; W907-K936 HydrophobicContact CB-CB 4.16Å; W907-K936 PolarHBondContact O-N 3.44Å; W907-K936 VanDerWaalsContact O-N 3.16Å; W907-N979 HydrophobicContact CH2-CB 4.33Å; W907-N979 WeakPolarHBondContact CH2-O 3.33Å; W907-N979 HydrophobicContact CZ2-CB 3.89Å; W907-N980 WeakPolarHBondContact CH2-OD1 3.13Å; W907-N980 WeakPolarHBondContact CZ3-OD1 3.47Å
908	F	47.3	Very low	49	Very low	69 Å²	69	68 Å²	68	30%	0.303	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	113.7	-177.6	-176.1	-101.1	0	0	0	109.6	F861 P904 F905 N906 L910 I932 A935	F861-F908 WeakPolarHBondContact CA-O 3.46Å; F861-F908 HydrophobicContact CB-CB 4.26Å; F861-F908 HydrophobicContact CB-CD1 4.33Å; F861-F908 WeakPolarHBondContact CB-O 3.38Å; F861-F908 HydrophobicContact CD2-CD1 4.24Å; F861-F908 PolarHBondContact N-O 3.04Å; F861-F908 PolarHBondContact O-N 2.97Å; P904-F908 HydrophobicContact CG-CD1 3.71Å; P904-F908 HydrophobicContact CG-CE1 4.34Å; F905-F908 HydrophobicContact CB-CB 4.44Å; F905-F908 PolarHBondContact O-N 3.15Å; F905-F908 VanDerWaalsContact O-O 3.12Å; N906-F908 VanDerWaalsContact C-N 3.32Å; F908-L910 HydrophobicContact CD1-CB 4.29Å; F908-L910 HydrophobicContact CD1-CD1 4.36Å; F908-L910 HydrophobicContact CD1-CG 4.11Å; F908-L910 HydrophobicContact CE1-CB 3.74Å; F908-L910 HydrophobicContact CE1-CD1 3.5Å; F908-L910 HydrophobicContact CE1-CD2 4.04Å; F908-L910 HydrophobicContact CE1-CG 4.04Å; F908-L910 VanDerWaalsContact CE1-CG 3.41Å; F908-L910 HydrophobicContact CE2-CB 4.4Å; F908-L910 HydrophobicContact CZ-CB 3.7Å; F908-L910 HydrophobicContact CZ-CD1 4.16Å; F908-L910 HydrophobicContact CZ-CD2 3.96Å; F908-L910 HydrophobicContact CZ-CG 4.09Å; F908-I932 HydrophobicContact CD2-CG2 4.43Å; F908-I932 HydrophobicContact CE2-CD1 4.4Å; F908-I932 HydrophobicContact CE2-CG1 4.42Å; F908-I932 HydrophobicContact CE2-CG2 3.66Å; F908-I932 HydrophobicContact CZ-CD1 4.02Å; F908-I932 HydrophobicContact CZ-CG1 4.29Å; F908-I932 HydrophobicContact CZ-CG2 3.85Å; F908-A935 HydrophobicContact CD2-CB 4.49Å
909	H	52.8	Low	48.9	Very low	24 Å²	24	72.5 Å²	72.5	11%	0.111	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115	173.4	-122	13	0	0	0	109.9	I859 L860 K903 W907 I933 E934	I859-H909 CarbonylContact O-C 3.58Å; I859-H909 WeakPolarHBondContact O-CA 3.45Å; I859-H909 PolarHBondContact O-ND1 3.36Å; L860-H909 HydrophobicContact CD2-CB 3.98Å; L860-H909 VanDerWaalsContact CD2-CD2 3.48Å; L860-H909 WeakPolarHBondContact CD2-CD2 3.41Å; L860-H909 VanDerWaalsContact CD2-ND1 3.26Å; L860-H909 WeakPolarHBondContact CD2-ND1 3.49Å; L860-H909 HydrophobicContact CG-CB 4.41Å; L860-H909 VanDerWaalsContact CG-CE1 3.42Å; L860-H909 WeakPolarHBondContact CG-CE1 3.17Å; L860-H909 WeakPolarHBondContact CG-ND1 3.45Å; K903-H909 VanDerWaalsContact CD-CE1 3.47Å; K903-H909 WeakPolarHBondContact CD-CE1 3.4Å; K903-H909 WeakPolarHBondContact CG-ND1 3.37Å; W907-H909 HydrophobicContact CE3-CB 4.44Å; H909-I933 HydrophobicContact CB-CB 4.07Å; H909-I933 HydrophobicContact CB-CD1 4.25Å; H909-I933 HydrophobicContact CB-CG1 4.13Å; H909-I933 HydrophobicContact CB-CG2 4.46Å; H909-I933 VanDerWaalsContact CD2-CD1 3.45Å; H909-I933 WeakPolarHBondContact CD2-CD1 3.26Å; H909-I933 VanDerWaalsContact O-CB 3.29Å; H909-I933 WeakPolarHBondContact O-CB 3.32Å; H909-I933 VanDerWaalsContact O-CG1 3.3Å; H909-I933 WeakPolarHBondContact O-CG1 3.23Å; H909-I933 PolarHBondContact O-N 3.1Å; H909-E934 HydrophobicContact CB-CB 4.31Å; H909-E934 IonicContact CD2-OE2 3.29Å; H909-E934 PolarHBondContact CD2-OE2 3.31Å; H909-E934 PolarHBondContact N-O 3.35Å; H909-E934 IonicContact NE2-OE2 3.12Å
910	L	52.6	Low	48.5	Very low	32 Å²	32	70.9 Å²	70.9	17%	0.168	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.9	175.1	-160.1	93.5	0	0	0	108.3	L857 E858 I859 L870 T901 F902 F908 I912 I930 N931 I932	L857-L910 HydrophobicContact CD2-CD2 4.47Å; L857-L910 VanDerWaalsContact O-O 3.11Å; E858-L910 CarbonylContact C-O 3.59Å; E858-L910 WeakPolarHBondContact CA-O 3.22Å; I859-L910 HydrophobicContact CB-CB 4.22Å; I859-L910 HydrophobicContact CD1-CD2 4.19Å; I859-L910 HydrophobicContact CG1-CD2 4.29Å; I859-L910 PolarHBondContact N-O 3.07Å; I859-L910 PolarHBondContact O-N 2.87Å; L870-L910 HydrophobicContact CD1-CD2 4.06Å; T901-L910 CarbonylContact C-O 3.56Å; T901-L910 VanDerWaalsContact CA-O 3.31Å; T901-L910 WeakPolarHBondContact CA-O 3.35Å; F902-L910 HydrophobicContact CB-CB 4.31Å; F902-L910 HydrophobicContact CB-CD2 4.36Å; F902-L910 PolarHBondContact N-O 2.81Å; F902-L910 PolarHBondContact O-N 2.93Å; F908-L910 HydrophobicContact CD1-CB 4.29Å; F908-L910 HydrophobicContact CD1-CD1 4.36Å; F908-L910 HydrophobicContact CD1-CG 4.11Å; F908-L910 HydrophobicContact CE1-CB 3.74Å; F908-L910 HydrophobicContact CE1-CD1 3.5Å; F908-L910 HydrophobicContact CE1-CD2 4.04Å; F908-L910 HydrophobicContact CE1-CG 4.04Å; F908-L910 VanDerWaalsContact CE1-CG 3.41Å; F908-L910 HydrophobicContact CE2-CB 4.4Å; F908-L910 HydrophobicContact CZ-CB 3.7Å; F908-L910 HydrophobicContact CZ-CD1 4.16Å; F908-L910 HydrophobicContact CZ-CD2 3.96Å; F908-L910 HydrophobicContact CZ-CG 4.09Å; L910-I912 HydrophobicContact CD1-CD1 4.43Å; L910-I912 HydrophobicContact CD1-CG1 4.24Å; L910-I912 HydrophobicContact CD2-CD1 4.1Å; L910-I912 HydrophobicContact CD2-CG1 4.26Å; L910-I912 HydrophobicContact CG-CD1 4.2Å; L910-I912 HydrophobicContact CG-CG1 4.13Å; L910-I930 HydrophobicContact CD1-CG2 4.04Å; L910-I930 HydrophobicContact CD2-CG2 4.14Å; L910-N931 CarbonylContact C-O 3.44Å; L910-N931 WeakPolarHBondContact CA-O 3.01Å; L910-I932 HydrophobicContact CD1-CG1 3.94Å; L910-I932 HydrophobicContact CD2-CG1 4.03Å
911	N	58.8	Low	48.1	Very low	8.5 Å²	8.5	74.3 Å²	74.3	5%	0.045	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.4	168.6	-130.2	-1.5	0	0	0	109.2	L856 L857 E858 R899 T900 T901 E913 I930 N931 I933	L856-N911 WeakPolarHBondContact CD2-OD1 3.44Å; L857-N911 CarbonylContact O-C 3.56Å; L857-N911 VanDerWaalsContact O-CA 3.29Å; L857-N911 WeakPolarHBondContact O-CA 3.35Å; L857-N911 PolarHBondContact O-OD1 2.66Å; E858-N911 HydrophobicContact CG-CB 4.03Å; E858-N911 WeakPolarHBondContact CG-ND2 3.18Å; E858-N911 WeakPolarHBondContact CG-OD1 3.21Å; E858-N911 PolarHBondContact OE1-ND2 3.43Å; E858-N911 VanDerWaalsContact OE1-ND2 3.14Å; R899-N911 VanDerWaalsContact CZ-ND2 3.34Å; R899-N911 PolarHBondContact NE-ND2 2.79Å; R899-N911 VanDerWaalsContact NE-ND2 3.2Å; R899-N911 PolarHBondContact NH2-ND2 2.88Å; T900-N911 WeakPolarHBondContact O-CA 3.14Å; T901-N911 VanDerWaalsContact CB-OD1 3.32Å; T901-N911 WeakPolarHBondContact CB-OD1 3.45Å; T901-N911 WeakPolarHBondContact CG2-OD1 3.38Å; N911-E913 PolarHBondContact ND2-OE1 3.13Å; N911-E913 WeakPolarHBondContact OD1-CG 3.09Å; N911-I930 WeakPolarHBondContact O-CA 3.42Å; N911-N931 HydrophobicContact CB-CB 4.3Å; N911-N931 PolarHBondContact N-O 3.16Å; N911-N931 PolarHBondContact O-N 3.05Å; N911-I933 HydrophobicContact CB-CD1 3.81Å; N911-I933 HydrophobicContact CB-CG1 3.57Å; N911-I933 WeakPolarHBondContact ND2-CD1 3.24Å; N911-I933 VanDerWaalsContact ND2-CG1 3.29Å; N911-I933 WeakPolarHBondContact ND2-CG1 3.43Å; N911-I933 WeakPolarHBondContact OD1-CD1 3.45Å
912	I	52	Low	47.8	Very low	37 Å²	37	79.1 Å²	79.1	19%	0.19	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.2	173.3	-54.4	175.9	0	0	0	107.6	Y696 L856 L857 R899 T900 L910 L928 Q929 I930	Y696-I912 HydrophobicContact CE1-CD1 4.27Å; Y696-I912 HydrophobicContact CE1-CG2 3.71Å; Y696-I912 HydrophobicContact CE2-CD1 3.91Å; Y696-I912 VanDerWaalsContact OH-CG2 3.24Å; Y696-I912 WeakPolarHBondContact OH-CG2 3.31Å; L856-I912 CarbonylContact C-O 3.56Å; L856-I912 WeakPolarHBondContact CA-O 3.1Å; L857-I912 HydrophobicContact CB-CB 4.27Å; L857-I912 HydrophobicContact CD2-CB 4.05Å; L857-I912 HydrophobicContact CD2-CD1 3.98Å; L857-I912 HydrophobicContact CD2-CG1 4.02Å; L857-I912 PolarHBondContact N-O 3.08Å; L857-I912 PolarHBondContact O-N 2.87Å; R899-I912 WeakPolarHBondContact CA-O 3.29Å; T900-I912 PolarHBondContact N-O 2.9Å; T900-I912 PolarHBondContact O-N 3.31Å; L910-I912 HydrophobicContact CD1-CD1 4.43Å; L910-I912 HydrophobicContact CD1-CG1 4.24Å; L910-I912 HydrophobicContact CD2-CD1 4.1Å; L910-I912 HydrophobicContact CD2-CG1 4.26Å; L910-I912 HydrophobicContact CG-CD1 4.2Å; L910-I912 HydrophobicContact CG-CG1 4.13Å; I912-L928 HydrophobicContact CG2-CD1 4.31Å; I912-L928 HydrophobicContact CG2-CD2 4.03Å; I912-L928 HydrophobicContact CG2-CG 4.49Å; I912-Q929 CarbonylContact C-O 2.91Å; I912-Q929 VanDerWaalsContact CA-O 3.25Å; I912-Q929 WeakPolarHBondContact CA-O 3.44Å; I912-I930 HydrophobicContact CG1-CG1 4.38Å; I912-I930 HydrophobicContact CG1-CG2 4.34Å; I912-I930 HydrophobicContact CG2-CG1 4.23Å
913	E	57.2	Low	47.4	Very low	42.25 Å²	42.25	75.8 Å²	75.8	20%	0.197	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.6	176.2	-62.1	-178.9	-175.3	0	0	109.6	L855 L856 R899 N911 L928 Q929	L855-E913 CarbonylContact O-C 3.54Å; L855-E913 VanDerWaalsContact O-C 3.31Å; L855-E913 WeakPolarHBondContact O-CA 3.46Å; L856-E913 HydrophobicContact CB-CG 4.29Å; L856-E913 HydrophobicContact CD1-CG 3.9Å; L856-E913 WeakPolarHBondContact CD1-OE1 3.28Å; L856-E913 HydrophobicContact CG-CB 4.33Å; L856-E913 VanDerWaalsContact CG-CD 3.46Å; L856-E913 HydrophobicContact CG-CG 3.76Å; L856-E913 VanDerWaalsContact CG-OE1 3.25Å; L856-E913 WeakPolarHBondContact CG-OE1 3.44Å; R899-E913 HydrophobicContact CB-CG 4.21Å; R899-E913 WeakPolarHBondContact CD-OE1 3.4Å; R899-E913 HydrophobicContact CG-CG 3.9Å; R899-E913 IonicContact CZ-OE1 2.99Å; R899-E913 IonicContact NE-OE1 3.09Å; R899-E913 PolarHBondContact NE-OE1 2.89Å; R899-E913 IonicContact NH2-OE1 2.73Å; R899-E913 PolarHBondContact NH2-OE1 2.78Å; N911-E913 PolarHBondContact ND2-OE1 3.13Å; N911-E913 WeakPolarHBondContact OD1-CG 3.09Å; E913-L928 WeakPolarHBondContact O-CA 3.48Å; E913-Q929 HydrophobicContact CB-CB 4.31Å; E913-Q929 HydrophobicContact CG-CB 4.42Å; E913-Q929 HydrophobicContact CG-CG 4.32Å; E913-Q929 PolarHBondContact N-O 3.03Å; E913-Q929 PolarHBondContact O-N 2.91Å
914	K	49.6	Very low	47	Very low	83.25 Å²	83.25	72.7 Å²	72.7	36%	0.362	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.5	168.2	-173.8	-178.7	-179	-176.6	0	108.1	Y696 N854 L855 T898 C916 V927 L928	Y696-K914 HydrophobicContact CD1-CD 3.95Å; Y696-K914 HydrophobicContact CE1-CD 3.99Å; N854-K914 CarbonylContact C-O 3.6Å; N854-K914 WeakPolarHBondContact CA-O 3.39Å; L855-K914 HydrophobicContact CB-CB 4.08Å; L855-K914 PolarHBondContact N-O 2.84Å; L855-K914 PolarHBondContact O-N 3.21Å; T898-K914 PolarHBondContact N-O 2.83Å; T898-K914 VanDerWaalsContact N-O 3.16Å; T898-K914 PolarHBondContact O-N 2.97Å; T898-K914 VanDerWaalsContact O-N 3.1Å; K914-C916 VanDerWaalsContact CE-SG 3.54Å; K914-V927 VanDerWaalsContact CA-O 3.32Å; K914-V927 WeakPolarHBondContact CA-O 3.26Å; K914-L928 HydrophobicContact CG-CD1 4.45Å
915	L	48.8	Very low	46.7	Very low	48 Å²	48	72.9 Å²	72.9	25%	0.251	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.1	172.7	-64	153.7	0	0	0	108.3	N854 W897 V927	N854-L915 WeakPolarHBondContact ND2-CD2 3.35Å; N854-L915 VanDerWaalsContact OD1-CA 3.31Å; N854-L915 WeakPolarHBondContact OD1-CA 3.42Å; N854-L915 VanDerWaalsContact OD1-CD2 3.31Å; N854-L915 WeakPolarHBondContact OD1-CD2 3.47Å; N854-L915 WeakPolarHBondContact OD1-CG 3.45Å; W897-L915 VanDerWaalsContact CD1-CD2 3.43Å; W897-L915 HydrophobicContact CD2-CD2 3.8Å; W897-L915 HydrophobicContact CE3-CD2 4.28Å; W897-L915 HydrophobicContact CG-CD2 3.68Å; W897-L915 HydrophobicContact CH2-CD2 4.39Å; W897-L915 HydrophobicContact CZ2-CD2 3.65Å; L915-V927 HydrophobicContact CB-CB 4.09Å; L915-V927 HydrophobicContact CB-CG1 3.92Å; L915-V927 HydrophobicContact CB-CG2 4.32Å; L915-V927 HydrophobicContact CD1-CB 4.36Å; L915-V927 HydrophobicContact CD1-CG1 3.77Å; L915-V927 HydrophobicContact CG-CG1 4.34Å; L915-V927 PolarHBondContact N-O 3.02Å; L915-V927 VanDerWaalsContact N-O 3.07Å; L915-V927 WeakPolarHBondContact O-CB 3.31Å; L915-V927 PolarHBondContact O-N 3.11Å
916	C	45.3	Very low	46.7	Very low	40 Å²	40	71.7 Å²	71.7	27%	0.27	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.2	168.5	-75.1	0	0	0	0	108.9	N853 N854 H896 K914 S918	N853-C916 CarbonylContact C-O 3.47Å; N853-C916 WeakPolarHBondContact CA-O 3.43Å; N853-C916 HydrophobicContact CB-CB 4.26Å; N853-C916 WeakPolarHBondContact CB-O 3.29Å; N853-C916 CarbonylContact O-C 3.53Å; N853-C916 VanDerWaalsContact O-CA 3.27Å; N853-C916 WeakPolarHBondContact O-CA 3.36Å; N853-C916 VanDerWaalsContact O-CB 3.25Å; N853-C916 WeakPolarHBondContact O-CB 3.37Å; N853-C916 PolarHBondContact O-N 3.14Å; N854-C916 PolarHBondContact OD1-N 3.33Å; H896-C916 PolarHBondContact N-O 2.79Å; H896-C916 PolarHBondContact O-N 2.92Å; K914-C916 VanDerWaalsContact CE-SG 3.54Å; C916-S918 PolarHBondContact O-N 3.27Å
917	S	43	Very low	46.6	Very low	53 Å²	53	68.3 Å²	68.3	37%	0.371	35%	0.345	S	S	.	.			trans	-94.8	116.9	166.9	53.5	0	0	0	0	109.1	E919 S923 I925	S917-E919 PolarHBondContact O-N 2.81Å; S917-S923 PolarHBondContact OG-O 2.86Å; S917-S923 PolarHBondContact OG-OG 3.44Å; S917-I925 PolarHBondContact N-O 3.37Å; S917-I925 PolarHBondContact O-N 2.71Å
918	S	41.5	Very low	46.7	Very low	74.25 Å²	74.25	64.5 Å²	64.5	52%	0.519	33%	0.334	S	S	.	.			trans	-82.4	41.4	173.1	60.8	0	0	0	0	115.2	N853 L894 H896 C916 N920	N853-S918 WeakPolarHBondContact ND2-CB 3.46Å; L894-S918 PolarHBondContact O-OG 2.79Å; H896-S918 PolarHBondContact CD2-OG 2.88Å; C916-S918 PolarHBondContact O-N 3.27Å; S918-N920 VanDerWaalsContact C-N 3.31Å; S918-N920 PolarHBondContact O-N 3.12Å
919	E	42.2	Very low	47.1	Very low	159.75 Å²	159.75	62.5 Å²	62.5	75%	0.746	33%	0.326	S	S	*	.	S	Bend	trans	-83.5	-7.7	-170.9	-71.9	-176.1	162.6	0	0	115	S917 I921	S917-E919 PolarHBondContact O-N 2.81Å; E919-I921 PolarHBondContact O-N 2.9Å
920	N	38.4	Very low	47.1	Very low	90.25 Å²	90.25	63.7 Å²	63.7	48%	0.483	33%	0.332	S	S	.	.			trans	-120.9	119	173.5	-84	-27.3	0	0	0	110.7	S918 Y922 S923	S918-N920 VanDerWaalsContact C-N 3.31Å; S918-N920 PolarHBondContact O-N 3.12Å; N920-Y922 PolarHBondContact O-N 2.88Å; N920-Y922 VanDerWaalsContact O-N 3.12Å; N920-S923 WeakPolarHBondContact CB-OG 3.14Å; N920-S923 PolarHBondContact ND2-OG 2.87Å; N920-S923 PolarHBondContact O-N 2.96Å; N920-S923 PolarHBondContact O-OG 2.96Å
921	I	40.6	Very low	47.2	Very low	137 Å²	137	62.5 Å²	62.5	70%	0.703	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-19.8	173.2	-64.9	169.2	0	0	0	111.6	R50 D63 E919	R50-I921 PolarHBondContact NH2-O 3.03Å; D63-I921 WeakPolarHBondContact OD2-CG2 3.48Å; E919-I921 PolarHBondContact O-N 2.9Å
922	Y	42	Very low	46.7	Very low	161.75 Å²	161.75	64 Å²	64	63%	0.634	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-1.3	-177	-59.7	-74.3	0	0	0	115.4	L879 Y886 D888 N920 S924	L879-Y922 HydrophobicContact CD1-CD1 4.3Å; Y886-Y922 HydrophobicContact CD1-CD1 4.01Å; Y886-Y922 HydrophobicContact CD1-CE1 4.09Å; Y886-Y922 HydrophobicContact CD1-CG 4.35Å; Y886-Y922 HydrophobicContact CE1-CD1 4.41Å; Y886-Y922 HydrophobicContact CE1-CE1 4.06Å; D888-Y922 HydrophobicContact CB-CD2 3.66Å; D888-Y922 HydrophobicContact CB-CE2 3.18Å; D888-Y922 WeakPolarHBondContact O-CD2 3.15Å; N920-Y922 PolarHBondContact O-N 2.88Å; N920-Y922 VanDerWaalsContact O-N 3.12Å; Y922-S924 PolarHBondContact O-N 2.87Å
923	S	38.3	Very low	46.8	Very low	32.25 Å²	32.25	63.7 Å²	63.7	23%	0.226	33%	0.332	C	S	.	.			trans	-123.8	100.2	175.1	63	0	0	0	0	110.8	D877 S917 N920 I925	D877-S923 VanDerWaalsContact O-CA 3.24Å; D877-S923 WeakPolarHBondContact O-CA 3.35Å; S917-S923 PolarHBondContact OG-O 2.86Å; S917-S923 PolarHBondContact OG-OG 3.44Å; N920-S923 WeakPolarHBondContact CB-OG 3.14Å; N920-S923 PolarHBondContact ND2-OG 2.87Å; N920-S923 PolarHBondContact O-N 2.96Å; N920-S923 PolarHBondContact O-OG 2.96Å; S923-I925 PolarHBondContact O-N 2.96Å
924	S	42.3	Very low	46.4	Very low	58 Å²	58	64.5 Å²	64.5	41%	0.406	34%	0.336	S	S	.	.			trans	-91.3	80.8	-173.7	62.3	0	0	0	0	111.3	D877 F878 L879 Y922 Q926	D877-S924 WeakPolarHBondContact CB-OG 3.4Å; D877-S924 PolarHBondContact N-O 2.81Å; D877-S924 VanDerWaalsContact N-O 3.13Å; D877-S924 PolarHBondContact O-N 3.47Å; D877-S924 VanDerWaalsContact O-O 3.05Å; F878-S924 VanDerWaalsContact CA-O 3.31Å; F878-S924 WeakPolarHBondContact CA-O 3.41Å; L879-S924 WeakPolarHBondContact CB-OG 3.36Å; L879-S924 VanDerWaalsContact CD1-CB 3.41Å; Y922-S924 PolarHBondContact O-N 2.87Å; S924-Q926 PolarHBondContact O-N 2.93Å
925	I	42.7	Very low	46.3	Very low	46 Å²	46	62.7 Å²	62.7	24%	0.236	34%	0.337	C	S	.	.			trans	-94.4	114.2	172.2	-62.2	166.9	0	0	0	108.3	K875 D877 F878 V887 S917 S923 V927 L945 M947 I987 N988 N989	K875-I925 WeakPolarHBondContact O-CA 3.3Å; D877-I925 WeakPolarHBondContact O-CA 3.44Å; F878-I925 HydrophobicContact CD1-CD1 4.46Å; F878-I925 HydrophobicContact CD1-CG1 4.13Å; F878-I925 HydrophobicContact CD1-CG2 3.98Å; F878-I925 HydrophobicContact CE1-CG2 4.1Å; V887-I925 HydrophobicContact CG1-CD1 4.43Å; V887-I925 HydrophobicContact CG2-CD1 4.16Å; S917-I925 PolarHBondContact N-O 3.37Å; S917-I925 PolarHBondContact O-N 2.71Å; S923-I925 PolarHBondContact O-N 2.96Å; I925-V927 HydrophobicContact CG2-CG2 3.88Å; I925-L945 HydrophobicContact CG2-CD2 4.05Å; I925-M947 HydrophobicContact CG1-CG 4.06Å; I925-I987 WeakPolarHBondContact CB-O 3.38Å; I925-I987 VanDerWaalsContact CG1-O 3.24Å; I925-I987 WeakPolarHBondContact CG1-O 3.29Å; I925-I987 WeakPolarHBondContact CG2-O 3.44Å; I925-N988 HydrophobicContact CD1-CB 4.34Å; I925-N988 WeakPolarHBondContact CD1-OD1 3.42Å; I925-N989 HydrophobicContact CD1-CB 4.44Å; I925-N989 HydrophobicContact CG1-CB 4.02Å; I925-N989 VanDerWaalsContact CG1-N 3.32Å
926	Q	46.4	Very low	46.4	Very low	91.5 Å²	91.5	64.9 Å²	64.9	43%	0.428	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.2	172	-65.7	-176.3	2	0	0	108.8	Y49 T874 K875 N876 D877 S924 L945 S946	Y49-Q926 VanDerWaalsContact CZ-NE2 3.26Å; Y49-Q926 PolarHBondContact OH-NE2 2.76Å; T874-Q926 CarbonylContact C-O 3.59Å; T874-Q926 WeakPolarHBondContact CA-O 3.32Å; K875-Q926 HydrophobicContact CB-CB 4.3Å; K875-Q926 PolarHBondContact N-O 2.69Å; K875-Q926 PolarHBondContact O-N 3.48Å; N876-Q926 WeakPolarHBondContact CA-O 3.42Å; D877-Q926 PolarHBondContact N-O 2.96Å; D877-Q926 PolarHBondContact O-N 3.07Å; S924-Q926 PolarHBondContact O-N 2.93Å; Q926-L945 WeakPolarHBondContact O-CA 3.23Å; Q926-S946 PolarHBondContact N-O 3.38Å; Q926-S946 PolarHBondContact O-N 3.03Å
927	V	48.5	Very low	46.7	Very low	21.5 Å²	21.5	63.7 Å²	63.7	13%	0.13	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.7	171	-175.1	0	0	0	0	108.1	K872 Y873 T874 K875 N876 K914 L915 I925 Q929 Y944 L945 L985 K986	K872-V927 HydrophobicContact CG-CG1 4.25Å; Y873-V927 CarbonylContact O-C 3.49Å; Y873-V927 WeakPolarHBondContact O-CA 3.42Å; T874-V927 HydrophobicContact CG2-CB 4.4Å; T874-V927 HydrophobicContact CG2-CG1 3.87Å; T874-V927 HydrophobicContact CG2-CG2 3.98Å; K875-V927 WeakPolarHBondContact O-CA 3.39Å; N876-V927 HydrophobicContact CB-CG2 4.33Å; N876-V927 WeakPolarHBondContact OD1-CG1 3.48Å; N876-V927 WeakPolarHBondContact OD1-CG2 3.38Å; K914-V927 VanDerWaalsContact CA-O 3.32Å; K914-V927 WeakPolarHBondContact CA-O 3.26Å; L915-V927 HydrophobicContact CB-CB 4.09Å; L915-V927 HydrophobicContact CB-CG1 3.92Å; L915-V927 HydrophobicContact CB-CG2 4.32Å; L915-V927 HydrophobicContact CD1-CB 4.36Å; L915-V927 HydrophobicContact CD1-CG1 3.77Å; L915-V927 HydrophobicContact CG-CG1 4.34Å; L915-V927 PolarHBondContact N-O 3.02Å; L915-V927 VanDerWaalsContact N-O 3.07Å; L915-V927 WeakPolarHBondContact O-CB 3.31Å; L915-V927 PolarHBondContact O-N 3.11Å; I925-V927 HydrophobicContact CG2-CG2 3.88Å; V927-Q929 HydrophobicContact CG1-CB 4.48Å; V927-Y944 CarbonylContact C-O 3.6Å; V927-Y944 WeakPolarHBondContact CA-O 3.26Å; V927-L945 HydrophobicContact CB-CD2 4.08Å; V927-L945 HydrophobicContact CG1-CD2 4.04Å; V927-L945 HydrophobicContact CG1-CG 4.09Å; V927-L945 HydrophobicContact CG2-CD2 3.45Å; V927-L945 VanDerWaalsContact CG2-CD2 3.45Å; V927-L945 HydrophobicContact CG2-CG 4.38Å; V927-L985 WeakPolarHBondContact CG1-O 2.76Å; V927-K986 HydrophobicContact CB-CG 4.27Å; V927-K986 HydrophobicContact CG1-CB 4.16Å; V927-K986 HydrophobicContact CG1-CG 3.36Å; V927-K986 HydrophobicContact CG2-CB 4.13Å; V927-K986 HydrophobicContact CG2-CG 3.94Å
928	L	50.2	Low	47.2	Very low	44.75 Å²	44.75	65.1 Å²	65.1	23%	0.234	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.6	170.4	-155.3	123.7	0	0	0	108.3	F254 Y696 F871 Y873 T874 K875 I912 E913 K914 I930 F942 N943 Y944	F254-L928 HydrophobicContact CE1-CD1 4.43Å; Y696-L928 HydrophobicContact CD1-CD1 4.27Å; Y696-L928 HydrophobicContact CD1-CD2 3.74Å; Y696-L928 HydrophobicContact CE1-CD1 3.61Å; Y696-L928 HydrophobicContact CE1-CD2 3.78Å; Y696-L928 HydrophobicContact CE1-CG 4.21Å; F871-L928 HydrophobicContact CD1-CD2 4.23Å; F871-L928 HydrophobicContact CE1-CD2 3.85Å; Y873-L928 HydrophobicContact CD1-CB 4.46Å; Y873-L928 HydrophobicContact CD1-CD2 3.99Å; Y873-L928 HydrophobicContact CE1-CD2 3.78Å; Y873-L928 PolarHBondContact N-O 2.84Å; Y873-L928 PolarHBondContact O-N 2.99Å; T874-L928 CarbonylContact C-O 3.58Å; T874-L928 VanDerWaalsContact CA-O 3.31Å; T874-L928 WeakPolarHBondContact CA-O 3.3Å; K875-L928 HydrophobicContact CB-CB 4.46Å; K875-L928 PolarHBondContact N-O 2.84Å; K875-L928 PolarHBondContact O-N 3.43Å; I912-L928 HydrophobicContact CG2-CD1 4.31Å; I912-L928 HydrophobicContact CG2-CD2 4.03Å; I912-L928 HydrophobicContact CG2-CG 4.49Å; E913-L928 WeakPolarHBondContact O-CA 3.48Å; K914-L928 HydrophobicContact CG-CD1 4.45Å; L928-I930 HydrophobicContact CD2-CD1 3.98Å; L928-I930 HydrophobicContact CD2-CG1 4.2Å; L928-F942 HydrophobicContact CD2-CE1 4.41Å; L928-N943 CarbonylContact O-C 3.52Å; L928-N943 VanDerWaalsContact O-CA 3.28Å; L928-N943 WeakPolarHBondContact O-CA 3.44Å; L928-Y944 PolarHBondContact N-O 3.14Å; L928-Y944 PolarHBondContact O-N 3.46Å
929	Q	55.1	Low	47.9	Very low	28 Å²	28	64.1 Å²	64.1	13%	0.131	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.8	177.3	179.2	167.7	-7.5	0	0	109.4	E869 F871 K872 Y873 T874 I912 E913 V927 N931 N941 F942 N943 F983 N984	E869-Q929 HydrophobicContact CG-CG 4.18Å; E869-Q929 PolarHBondContact OE2-NE2 3.01Å; F871-Q929 WeakPolarHBondContact O-CA 3.49Å; K872-Q929 VanDerWaalsContact CE-NE2 3.28Å; K872-Q929 VanDerWaalsContact NZ-NE2 3.16Å; Y873-Q929 CarbonylContact O-C 3.57Å; Y873-Q929 VanDerWaalsContact O-CA 3.23Å; Y873-Q929 WeakPolarHBondContact O-CA 3.46Å; T874-Q929 HydrophobicContact CG2-CB 4.32Å; T874-Q929 HydrophobicContact CG2-CG 3.96Å; I912-Q929 CarbonylContact C-O 2.91Å; I912-Q929 VanDerWaalsContact CA-O 3.25Å; I912-Q929 WeakPolarHBondContact CA-O 3.44Å; E913-Q929 HydrophobicContact CB-CB 4.31Å; E913-Q929 HydrophobicContact CG-CB 4.42Å; E913-Q929 HydrophobicContact CG-CG 4.32Å; E913-Q929 PolarHBondContact N-O 3.03Å; E913-Q929 PolarHBondContact O-N 2.91Å; V927-Q929 HydrophobicContact CG1-CB 4.48Å; Q929-N931 WeakPolarHBondContact CG-OD1 3.34Å; Q929-N931 VanDerWaalsContact NE2-CG 3.34Å; Q929-N931 PolarHBondContact NE2-ND2 3.1Å; Q929-N931 VanDerWaalsContact NE2-ND2 3.14Å; Q929-N931 PolarHBondContact NE2-OD1 3.04Å; Q929-N941 WeakPolarHBondContact CG-OD1 2.94Å; Q929-N941 PolarHBondContact NE2-ND2 2.85Å; Q929-N941 VanDerWaalsContact NE2-ND2 3.17Å; Q929-N941 PolarHBondContact NE2-OD1 2.83Å; Q929-F942 CarbonylContact C-O 3.52Å; Q929-F942 WeakPolarHBondContact CA-O 3.23Å; Q929-N943 WeakPolarHBondContact CA-OD1 3.45Å; Q929-N943 WeakPolarHBondContact CB-OD1 3.49Å; Q929-N943 WeakPolarHBondContact CG-OD1 3.17Å; Q929-F983 CarbonylContact C-O 3.53Å; Q929-F983 WeakPolarHBondContact CA-O 3.31Å; Q929-F983 WeakPolarHBondContact CG-O 3.26Å; Q929-N984 HydrophobicContact CB-CB 4.35Å; Q929-N984 VanDerWaalsContact CD-ND2 3.26Å; Q929-N984 HydrophobicContact CG-CB 3.88Å; Q929-N984 VanDerWaalsContact CG-CG 3.47Å; Q929-N984 WeakPolarHBondContact CG-OD1 3.39Å; Q929-N984 PolarHBondContact NE2-ND2 2.96Å; Q929-N984 PolarHBondContact NE2-OD1 2.85Å; Q929-N984 PolarHBondContact OE1-ND2 3.44Å
930	I	54	Low	48.6	Very low	47.75 Å²	47.75	58.4 Å²	58.4	25%	0.245	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109.5	174.3	-56.8	173.6	0	0	0	107.3	L870 F871 K872 Y873 L910 N911 I912 L928 I932 F942 F983	L870-I930 WeakPolarHBondContact CB-O 3.48Å; L870-I930 HydrophobicContact CD1-CG2 4.24Å; L870-I930 PolarHBondContact N-O 2.87Å; L870-I930 VanDerWaalsContact N-O 3.09Å; F871-I930 HydrophobicContact CB-CB 4.2Å; F871-I930 HydrophobicContact CB-CD1 4.33Å; F871-I930 HydrophobicContact CB-CG1 4.46Å; F871-I930 HydrophobicContact CD1-CD1 4.01Å; F871-I930 HydrophobicContact CD1-CG1 4.15Å; F871-I930 HydrophobicContact CD1-CG2 4.46Å; F871-I930 HydrophobicContact CE1-CB 4.44Å; F871-I930 HydrophobicContact CE1-CG2 4.29Å; F871-I930 HydrophobicContact CG-CD1 4.4Å; F871-I930 PolarHBondContact N-O 2.91Å; F871-I930 PolarHBondContact O-N 3.03Å; K872-I930 CarbonylContact C-O 3.56Å; K872-I930 VanDerWaalsContact CA-O 3.32Å; K872-I930 WeakPolarHBondContact CA-O 3.36Å; Y873-I930 HydrophobicContact CD1-CD1 4.07Å; Y873-I930 HydrophobicContact CD1-CG1 4.36Å; Y873-I930 PolarHBondContact N-O 2.61Å; Y873-I930 PolarHBondContact O-N 3.22Å; L910-I930 HydrophobicContact CD1-CG2 4.04Å; L910-I930 HydrophobicContact CD2-CG2 4.14Å; N911-I930 WeakPolarHBondContact O-CA 3.42Å; I912-I930 HydrophobicContact CG1-CG1 4.38Å; I912-I930 HydrophobicContact CG1-CG2 4.34Å; I912-I930 HydrophobicContact CG2-CG1 4.23Å; L928-I930 HydrophobicContact CD2-CD1 3.98Å; L928-I930 HydrophobicContact CD2-CG1 4.2Å; I930-I932 HydrophobicContact CG2-CD1 4.41Å; I930-I932 HydrophobicContact CG2-CG1 4.14Å; I930-F942 HydrophobicContact CB-CB 4.29Å; I930-F942 HydrophobicContact CD1-CD1 4.06Å; I930-F942 HydrophobicContact CG1-CD1 4.4Å; I930-F942 PolarHBondContact N-O 2.88Å; I930-F942 PolarHBondContact O-N 2.94Å; I930-F983 PolarHBondContact N-O 3.15Å
931	N	54	Low	49.8	Very low	8.75 Å²	8.75	55.5 Å²	55.5	5%	0.047	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.4	176.4	-62	-29.7	0	0	0	109.4	Y868 E869 F871 K872 L910 N911 Q929 I933 F939 N941 Q982 F983 N984	Y868-N931 WeakPolarHBondContact O-CA 3.41Å; E869-N931 WeakPolarHBondContact CA-OD1 3.46Å; E869-N931 HydrophobicContact CG-CB 4.47Å; E869-N931 PolarHBondContact OE1-ND2 3.41Å; F871-N931 CarbonylContact O-C 3.57Å; F871-N931 VanDerWaalsContact O-CA 3.26Å; F871-N931 WeakPolarHBondContact O-CA 3.48Å; K872-N931 WeakPolarHBondContact CG-OD1 3.42Å; L910-N931 CarbonylContact C-O 3.44Å; L910-N931 WeakPolarHBondContact CA-O 3.01Å; N911-N931 HydrophobicContact CB-CB 4.3Å; N911-N931 PolarHBondContact N-O 3.16Å; N911-N931 PolarHBondContact O-N 3.05Å; Q929-N931 WeakPolarHBondContact CG-OD1 3.34Å; Q929-N931 VanDerWaalsContact NE2-CG 3.34Å; Q929-N931 PolarHBondContact NE2-ND2 3.1Å; Q929-N931 VanDerWaalsContact NE2-ND2 3.14Å; Q929-N931 PolarHBondContact NE2-OD1 3.04Å; N931-I933 HydrophobicContact CB-CD1 3.78Å; N931-I933 HydrophobicContact CB-CG1 3.98Å; N931-I933 PolarHBondContact O-N 3.47Å; N931-F939 HydrophobicContact CB-CE2 4.2Å; N931-F939 HydrophobicContact CB-CZ 4.31Å; N931-F939 WeakPolarHBondContact OD1-CZ 3.02Å; N931-N941 VanDerWaalsContact OD1-CG 3.22Å; N931-N941 PolarHBondContact OD1-OD1 3.02Å; N931-N941 VanDerWaalsContact OD1-OD1 3.07Å; N931-Q982 HydrophobicContact CB-CB 4.25Å; N931-Q982 HydrophobicContact CB-CG 3.9Å; N931-Q982 VanDerWaalsContact CG-CG 3.41Å; N931-Q982 PolarHBondContact ND2-NE2 2.93Å; N931-Q982 WeakPolarHBondContact OD1-CA 3.15Å; N931-Q982 WeakPolarHBondContact OD1-CB 3.43Å; N931-Q982 WeakPolarHBondContact OD1-CG 3.26Å; N931-F983 PolarHBondContact OD1-N 3.47Å; N931-F983 PolarHBondContact OD1-O 2.93Å; N931-N984 PolarHBondContact OD1-OD1 3.12Å
932	I	49.4	Very low	50.6	Low	38.75 Å²	38.75	51.4 Å²	51.4	20%	0.199	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	105.3	165.3	-59.2	170.7	0	0	0	106.4	W864 N867 Y868 E869 L870 F871 F908 L910 I930 E934 A935 L940 F981	W864-I932 HydrophobicContact CB-CD1 4.41Å; W864-I932 HydrophobicContact CD2-CD1 3.26Å; W864-I932 HydrophobicContact CE3-CD1 3.62Å; W864-I932 HydrophobicContact CG-CD1 3.58Å; W864-I932 HydrophobicContact CH2-CD1 4.22Å; W864-I932 HydrophobicContact CZ2-CD1 3.89Å; W864-I932 HydrophobicContact CZ3-CD1 4.07Å; N867-I932 CarbonylContact C-O 3.58Å; N867-I932 WeakPolarHBondContact CA-O 3.21Å; N867-I932 PolarHBondContact N-O 3.21Å; Y868-I932 PolarHBondContact N-O 2.93Å; Y868-I932 PolarHBondContact O-N 3.46Å; E869-I932 CarbonylContact C-O 3.55Å; E869-I932 WeakPolarHBondContact CA-O 3.47Å; L870-I932 HydrophobicContact CB-CB 4.46Å; L870-I932 HydrophobicContact CB-CG2 4.35Å; L870-I932 HydrophobicContact CD1-CD1 3.52Å; L870-I932 HydrophobicContact CD1-CG1 3.34Å; L870-I932 HydrophobicContact CD2-CD1 4.09Å; L870-I932 HydrophobicContact CG-CD1 3.56Å; L870-I932 HydrophobicContact CG-CG1 3.7Å; L870-I932 PolarHBondContact N-O 2.73Å; F871-I932 HydrophobicContact CB-CB 4.18Å; F871-I932 HydrophobicContact CB-CD1 3.67Å; F871-I932 HydrophobicContact CB-CG1 3.93Å; F871-I932 HydrophobicContact CD1-CD1 4.45Å; F871-I932 HydrophobicContact CD1-CG1 4.49Å; F871-I932 HydrophobicContact CG-CD1 4.32Å; F871-I932 PolarHBondContact O-N 3.33Å; F908-I932 HydrophobicContact CD2-CG2 4.43Å; F908-I932 HydrophobicContact CE2-CD1 4.4Å; F908-I932 HydrophobicContact CE2-CG1 4.42Å; F908-I932 HydrophobicContact CE2-CG2 3.66Å; F908-I932 HydrophobicContact CZ-CD1 4.02Å; F908-I932 HydrophobicContact CZ-CG1 4.29Å; F908-I932 HydrophobicContact CZ-CG2 3.85Å; L910-I932 HydrophobicContact CD1-CG1 3.94Å; L910-I932 HydrophobicContact CD2-CG1 4.03Å; I930-I932 HydrophobicContact CG2-CD1 4.41Å; I930-I932 HydrophobicContact CG2-CG1 4.14Å; I932-E934 PolarHBondContact O-N 2.97Å; I932-A935 HydrophobicContact CG2-CB 3.94Å; I932-L940 HydrophobicContact CB-CB 4.24Å; I932-L940 HydrophobicContact CD1-CB 4.49Å; I932-L940 HydrophobicContact CD1-CD1 4.14Å; I932-L940 PolarHBondContact N-O 3.1Å; I932-L940 PolarHBondContact O-N 3.25Å; I932-F981 CarbonylContact C-O 3.56Å; I932-F981 VanDerWaalsContact C-O 3.26Å; I932-F981 PolarHBondContact N-O 2.89Å; I932-F981 VanDerWaalsContact O-CB 3.25Å; I932-F981 WeakPolarHBondContact O-CB 3.34Å
933	I	52.3	Low	51.5	Low	31 Å²	31	45.6 Å²	45.6	16%	0.159	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-24.4	-169.9	-57.6	-176.7	0	0	0	110.8	Y866 N867 Y868 E869 T901 W907 H909 N911 N931 F939 N980 F981 Q982	Y866-I933 WeakPolarHBondContact CD2-O 3.42Å; Y866-I933 WeakPolarHBondContact CE2-O 3.46Å; N867-I933 PolarHBondContact N-O 2.77Å; Y868-I933 VanDerWaalsContact O-O 3.1Å; E869-I933 HydrophobicContact CG-CG1 4.29Å; T901-I933 HydrophobicContact CG2-CD1 4.14Å; W907-I933 HydrophobicContact CE3-CG2 4.44Å; W907-I933 HydrophobicContact CH2-CG2 3.92Å; W907-I933 HydrophobicContact CZ3-CB 4.14Å; W907-I933 HydrophobicContact CZ3-CG2 3.4Å; H909-I933 HydrophobicContact CB-CB 4.07Å; H909-I933 HydrophobicContact CB-CD1 4.25Å; H909-I933 HydrophobicContact CB-CG1 4.13Å; H909-I933 HydrophobicContact CB-CG2 4.46Å; H909-I933 VanDerWaalsContact CD2-CD1 3.45Å; H909-I933 WeakPolarHBondContact CD2-CD1 3.26Å; H909-I933 VanDerWaalsContact O-CB 3.29Å; H909-I933 WeakPolarHBondContact O-CB 3.32Å; H909-I933 VanDerWaalsContact O-CG1 3.3Å; H909-I933 WeakPolarHBondContact O-CG1 3.23Å; H909-I933 PolarHBondContact O-N 3.1Å; N911-I933 HydrophobicContact CB-CD1 3.81Å; N911-I933 HydrophobicContact CB-CG1 3.57Å; N911-I933 WeakPolarHBondContact ND2-CD1 3.24Å; N911-I933 VanDerWaalsContact ND2-CG1 3.29Å; N911-I933 WeakPolarHBondContact ND2-CG1 3.43Å; N911-I933 WeakPolarHBondContact OD1-CD1 3.45Å; N931-I933 HydrophobicContact CB-CD1 3.78Å; N931-I933 HydrophobicContact CB-CG1 3.98Å; N931-I933 PolarHBondContact O-N 3.47Å; I933-F939 HydrophobicContact CG1-CE2 4.13Å; I933-N980 HydrophobicContact CG2-CB 3.31Å; I933-N980 WeakPolarHBondContact CG2-OD1 3.49Å; I933-N980 CarbonylContact O-C 3.37Å; I933-N980 VanDerWaalsContact O-CA 3.32Å; I933-N980 WeakPolarHBondContact O-CA 3.5Å; I933-F981 WeakPolarHBondContact CA-O 3.27Å; I933-F981 PolarHBondContact O-N 3.26Å; I933-Q982 HydrophobicContact CD1-CG 4.48Å
934	E	49.8	Very low	52.4	Low	59.5 Å²	59.5	46.7 Å²	46.7	28%	0.278	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	122.7	172.1	-137.7	-179.1	149.2	0	0	113.2	W907 H909 I932 K936 N979	W907-E934 HydrophobicContact CD2-CG 3.75Å; W907-E934 HydrophobicContact CE3-CG 4.06Å; W907-E934 HydrophobicContact CH2-CG 3.47Å; W907-E934 VanDerWaalsContact CH2-CG 3.47Å; W907-E934 HydrophobicContact CZ2-CG 3.12Å; W907-E934 WeakPolarHBondContact CZ2-OE2 3.18Å; W907-E934 HydrophobicContact CZ3-CG 3.93Å; W907-E934 PolarHBondContact NE1-OE2 3.31Å; H909-E934 HydrophobicContact CB-CB 4.31Å; H909-E934 IonicContact CD2-OE2 3.29Å; H909-E934 PolarHBondContact CD2-OE2 3.31Å; H909-E934 PolarHBondContact N-O 3.35Å; H909-E934 IonicContact NE2-OE2 3.12Å; I932-E934 PolarHBondContact O-N 2.97Å; E934-K936 HydrophobicContact CB-CG 4.46Å; E934-K936 VanDerWaalsContact CD-NZ 3.27Å; E934-K936 HydrophobicContact CG-CG 4.23Å; E934-K936 WeakPolarHBondContact OE1-CD 3.19Å; E934-K936 WeakPolarHBondContact OE1-CE 3.39Å; E934-K936 WeakPolarHBondContact OE1-CG 3.41Å; E934-K936 IonicContact OE1-NZ 2.93Å; E934-K936 PolarHBondContact OE1-NZ 3.12Å; E934-K936 VanDerWaalsContact OE2-CD 3.22Å; E934-K936 WeakPolarHBondContact OE2-CD 3.33Å; E934-K936 IonicContact OE2-NZ 3.98Å; E934-K936 PolarHBondContact OE2-NZ 2.89Å; E934-N979 HydrophobicContact CG-CB 4.37Å; E934-N979 WeakPolarHBondContact CG-O 3.14Å; E934-N979 WeakPolarHBondContact OE1-CB 3.44Å; E934-N979 VanDerWaalsContact OE2-CB 3.25Å; E934-N979 WeakPolarHBondContact OE2-CB 3.06Å; E934-N979 PolarHBondContact OE2-ND2 2.82Å
935	A	47.6	Very low	53.3	Low	45.5 Å²	45.5	46.8 Å²	46.8	38%	0.376	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	99.9	159.7	0	0	0	0	0	107.5	P863 W864 W907 F908 I932 G937 F938	P863-A935 HydrophobicContact CG-CB 4.3Å; W864-A935 HydrophobicContact CD2-CB 4.03Å; W864-A935 HydrophobicContact CE3-CB 3.85Å; W864-A935 HydrophobicContact CH2-CB 3.57Å; W864-A935 HydrophobicContact CZ2-CB 3.91Å; W864-A935 HydrophobicContact CZ3-CB 3.59Å; W907-A935 WeakPolarHBondContact O-CA 3.32Å; F908-A935 HydrophobicContact CD2-CB 4.49Å; I932-A935 HydrophobicContact CG2-CB 3.94Å; A935-G937 PolarHBondContact O-N 3Å; A935-G937 VanDerWaalsContact O-N 3.16Å; A935-F938 PolarHBondContact O-N 2.91Å
936	K	51.1	Low	53.8	Low	93.75 Å²	93.75	45.7 Å²	45.7	41%	0.408	23%	0.232	S	C	.	.			trans	-63	101.7	179	-70.8	-175.8	174.6	164.8	0	111.1	N906 W907 E934 F938 N979	N906-K936 VanDerWaalsContact CG-O 3.26Å; N906-K936 PolarHBondContact ND2-O 3.23Å; N906-K936 PolarHBondContact OD1-N 3.23Å; N906-K936 PolarHBondContact OD1-O 2.74Å; W907-K936 HydrophobicContact CB-CB 4.16Å; W907-K936 PolarHBondContact O-N 3.44Å; W907-K936 VanDerWaalsContact O-N 3.16Å; E934-K936 HydrophobicContact CB-CG 4.46Å; E934-K936 VanDerWaalsContact CD-NZ 3.27Å; E934-K936 HydrophobicContact CG-CG 4.23Å; E934-K936 WeakPolarHBondContact OE1-CD 3.19Å; E934-K936 WeakPolarHBondContact OE1-CE 3.39Å; E934-K936 WeakPolarHBondContact OE1-CG 3.41Å; E934-K936 IonicContact OE1-NZ 2.93Å; E934-K936 PolarHBondContact OE1-NZ 3.12Å; E934-K936 VanDerWaalsContact OE2-CD 3.22Å; E934-K936 WeakPolarHBondContact OE2-CD 3.33Å; E934-K936 IonicContact OE2-NZ 3.98Å; E934-K936 PolarHBondContact OE2-NZ 2.89Å; K936-F938 VanDerWaalsContact C-N 3.34Å; K936-F938 PolarHBondContact O-N 2.84Å; K936-N979 PolarHBondContact NZ-ND2 3.39Å; K936-N979 PolarHBondContact NZ-OD1 3.48Å; K936-N979 VanDerWaalsContact NZ-OD1 3.1Å
937	G	50.9	Low	54.3	Low	13.75 Å²	13.75	46 Å²	46	14%	0.142	23%	0.234	C	C	.	.			trans	-31.5	134.8	175.6	0	0	0	0	0	113.9	F861 A935 F939 I963 T966	F861-G937 CarbonylContact O-C 3.56Å; F861-G937 WeakPolarHBondContact O-CA 3.27Å; A935-G937 PolarHBondContact O-N 3Å; A935-G937 VanDerWaalsContact O-N 3.16Å; G937-F939 PolarHBondContact O-N 3.15Å; G937-I963 CarbonylContact C-O 3.47Å; G937-I963 VanDerWaalsContact C-O 3.27Å; G937-I963 WeakPolarHBondContact CA-O 3.49Å; G937-T966 VanDerWaalsContact C-OG1 3.25Å; G937-T966 WeakPolarHBondContact CA-OG1 3.3Å; G937-T966 PolarHBondContact O-N 3.21Å; G937-T966 PolarHBondContact O-OG1 3.33Å; G937-T966 VanDerWaalsContact O-OG1 3.12Å
938	F	54.4	Low	54.3	Low	83.75 Å²	83.75	48.6 Å²	48.6	37%	0.367	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.8	175	-3.5	-89.7	0	0	0	110.2	F861 N906 A935 K936 L940 I963 H964 R965	F861-F938 HydrophobicContact CB-CD1 4.15Å; F861-F938 HydrophobicContact CB-CD2 4.26Å; F861-F938 HydrophobicContact CB-CE1 3.81Å; F861-F938 HydrophobicContact CB-CE2 4.13Å; F861-F938 HydrophobicContact CB-CG 4.46Å; F861-F938 HydrophobicContact CB-CZ 3.8Å; F861-F938 HydrophobicContact CD1-CD1 4.36Å; F861-F938 AromaticContact CD1-CE1 3.67Å; F861-F938 HydrophobicContact CD1-CE1 3.9Å; F861-F938 AromaticContact CD1-CZ 3.88Å; F861-F938 HydrophobicContact CD1-CZ 4Å; F861-F938 HydrophobicContact CD2-CD1 4.43Å; F861-F938 AromaticContact CD2-CD2 3.79Å; F861-F938 HydrophobicContact CD2-CD2 3.79Å; F861-F938 AromaticContact CD2-CE1 3.86Å; F861-F938 HydrophobicContact CD2-CE1 3.86Å; F861-F938 AromaticContact CD2-CE2 3.12Å; F861-F938 HydrophobicContact CD2-CE2 3.12Å; F861-F938 HydrophobicContact CD2-CG 4.4Å; F861-F938 AromaticContact CD2-CZ 3.17Å; F861-F938 HydrophobicContact CD2-CZ 3.17Å; F861-F938 HydrophobicContact CE1-CZ 4.04Å; F861-F938 HydrophobicContact CE2-CD2 4.34Å; F861-F938 HydrophobicContact CE2-CE1 4.4Å; F861-F938 AromaticContact CE2-CE2 3.31Å; F861-F938 HydrophobicContact CE2-CE2 3.31Å; F861-F938 AromaticContact CE2-CZ 3.35Å; F861-F938 HydrophobicContact CE2-CZ 3.35Å; F861-F938 HydrophobicContact CG-CD1 4.32Å; F861-F938 HydrophobicContact CG-CD2 4.46Å; F861-F938 AromaticContact CG-CE1 3.79Å; F861-F938 HydrophobicContact CG-CE1 3.79Å; F861-F938 AromaticContact CG-CE2 3.87Å; F861-F938 HydrophobicContact CG-CE2 3.87Å; F861-F938 AromaticContact CG-CZ 3.64Å; F861-F938 HydrophobicContact CG-CZ 3.64Å; F861-F938 VanDerWaalsContact CG-CZ 3.45Å; F861-F938 HydrophobicContact CZ-CE2 4.19Å; F861-F938 AromaticContact CZ-CZ 3.8Å; F861-F938 HydrophobicContact CZ-CZ 3.8Å; F861-F938 PolarHBondContact N-O 3.39Å; F861-F938 PolarHBondContact O-N 3.22Å; N906-F938 HydrophobicContact CB-CD1 4.4Å; N906-F938 HydrophobicContact CB-CE1 3.96Å; N906-F938 HydrophobicContact CB-CZ 4.29Å; N906-F938 WeakPolarHBondContact ND2-CD1 3.25Å; N906-F938 WeakPolarHBondContact ND2-CD2 3.48Å; N906-F938 WeakPolarHBondContact ND2-CE1 3.32Å; N906-F938 VanDerWaalsContact ND2-CE2 3.3Å; N906-F938 WeakPolarHBondContact ND2-CE2 3.26Å; N906-F938 WeakPolarHBondContact ND2-CG 3.26Å; N906-F938 VanDerWaalsContact ND2-CZ 3.32Å; N906-F938 WeakPolarHBondContact ND2-CZ 3.41Å; A935-F938 PolarHBondContact O-N 2.91Å; K936-F938 VanDerWaalsContact C-N 3.34Å; K936-F938 PolarHBondContact O-N 2.84Å; F938-L940 HydrophobicContact CD2-CD1 4.14Å; F938-L940 HydrophobicContact CD2-CD2 4.35Å; F938-L940 HydrophobicContact CD2-CG 3.9Å; F938-L940 HydrophobicContact CE2-CD1 3.81Å; F938-L940 HydrophobicContact CE2-CG 4.08Å; F938-I963 HydrophobicContact CB-CB 4.32Å; F938-I963 HydrophobicContact CD1-CG2 4.08Å; F938-I963 PolarHBondContact N-O 3.14Å; F938-I963 VanDerWaalsContact N-O 3.15Å; F938-I963 PolarHBondContact O-N 3.13Å; F938-H964 CarbonylContact C-O 3.59Å; F938-H964 WeakPolarHBondContact CA-O 3.43Å; F938-R965 HydrophobicContact CD1-CG 4.48Å; F938-R965 HydrophobicContact CE1-CB 4.38Å; F938-R965 HydrophobicContact CE1-CG 4.05Å; F938-R965 HydrophobicContact CZ-CG 4.48Å
939	F	56.5	Low	54.3	Low	52.25 Å²	52.25	52 Å²	52	23%	0.229	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.4	169.1	179.1	-108.5	0	0	0	107.9	E858 I859 L860 N931 I933 G937 N941 F961 L962 I963 H964 T966	E858-F939 HydrophobicContact CB-CE2 3.98Å; E858-F939 HydrophobicContact CB-CZ 4.31Å; E858-F939 HydrophobicContact CG-CE2 4.05Å; E858-F939 HydrophobicContact CG-CZ 3.87Å; I859-F939 WeakPolarHBondContact O-CA 3.41Å; L860-F939 HydrophobicContact CB-CD2 4.34Å; L860-F939 HydrophobicContact CD1-CD2 4.2Å; N931-F939 HydrophobicContact CB-CE2 4.2Å; N931-F939 HydrophobicContact CB-CZ 4.31Å; N931-F939 WeakPolarHBondContact OD1-CZ 3.02Å; I933-F939 HydrophobicContact CG1-CE2 4.13Å; G937-F939 PolarHBondContact O-N 3.15Å; F939-N941 HydrophobicContact CD1-CB 4.26Å; F939-N941 HydrophobicContact CE1-CB 3.57Å; F939-N941 VanDerWaalsContact CE1-CB 3.5Å; F939-N941 HydrophobicContact CZ-CB 4Å; F939-F961 CarbonylContact C-O 3.57Å; F939-F961 VanDerWaalsContact CA-O 3.32Å; F939-F961 WeakPolarHBondContact CA-O 3.48Å; F939-L962 HydrophobicContact CD1-CD2 4.45Å; F939-L962 HydrophobicContact CD2-CD1 4.27Å; F939-I963 WeakPolarHBondContact O-CA 3.4Å; F939-H964 HydrophobicContact CB-CB 4.3Å; F939-H964 HydrophobicContact CD1-CB 4.3Å; F939-H964 PolarHBondContact N-O 3.08Å; F939-H964 PolarHBondContact O-N 3.12Å; F939-T966 HydrophobicContact CB-CG2 4.12Å
940	L	57	Low	54	Low	40.5 Å²	40.5	59.3 Å²	59.3	21%	0.212	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.7	173.3	-62.7	163.5	0	0	0	107.7	E858 I859 F861 F902 P904 I932 F938 F942 S960 F961 I963	E858-L940 WeakPolarHBondContact CA-O 3.27Å; I859-L940 HydrophobicContact CB-CB 4.24Å; I859-L940 HydrophobicContact CB-CD1 4.44Å; I859-L940 HydrophobicContact CD1-CD1 4.47Å; I859-L940 PolarHBondContact N-O 3.15Å; I859-L940 PolarHBondContact O-N 2.95Å; F861-L940 HydrophobicContact CE2-CD1 4.48Å; F902-L940 HydrophobicContact CD1-CD2 4.23Å; P904-L940 HydrophobicContact CB-CD2 4.26Å; I932-L940 HydrophobicContact CB-CB 4.24Å; I932-L940 HydrophobicContact CD1-CB 4.49Å; I932-L940 HydrophobicContact CD1-CD1 4.14Å; I932-L940 PolarHBondContact N-O 3.1Å; I932-L940 PolarHBondContact O-N 3.25Å; F938-L940 HydrophobicContact CD2-CD1 4.14Å; F938-L940 HydrophobicContact CD2-CD2 4.35Å; F938-L940 HydrophobicContact CD2-CG 3.9Å; F938-L940 HydrophobicContact CE2-CD1 3.81Å; F938-L940 HydrophobicContact CE2-CG 4.08Å; L940-F942 HydrophobicContact CB-CE2 4.02Å; L940-S960 CarbonylContact O-C 3.51Å; L940-S960 WeakPolarHBondContact O-CA 3.34Å; L940-F961 HydrophobicContact CB-CB 4.03Å; L940-F961 HydrophobicContact CB-CD2 4.39Å; L940-F961 HydrophobicContact CD1-CB 4.26Å; L940-F961 HydrophobicContact CD2-CE2 4.42Å; L940-F961 HydrophobicContact CD2-CZ 4.09Å; L940-F961 PolarHBondContact N-O 3.09Å; L940-F961 PolarHBondContact O-N 2.93Å; L940-I963 HydrophobicContact CD2-CB 4.17Å; L940-I963 HydrophobicContact CD2-CD1 3.81Å; L940-I963 HydrophobicContact CD2-CG1 3.59Å; L940-I963 VanDerWaalsContact CD2-CG1 3.46Å; L940-I963 HydrophobicContact CD2-CG2 3.91Å
941	N	62.2	Low	53.8	Low	30 Å²	30	65.2 Å²	65.2	16%	0.16	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.6	171.7	-170.8	2.5	0	0	0	109.5	L857 Q929 N931 F939 N943 L962	L857-N941 WeakPolarHBondContact O-CA 3.28Å; Q929-N941 WeakPolarHBondContact CG-OD1 2.94Å; Q929-N941 PolarHBondContact NE2-ND2 2.85Å; Q929-N941 VanDerWaalsContact NE2-ND2 3.17Å; Q929-N941 PolarHBondContact NE2-OD1 2.83Å; N931-N941 VanDerWaalsContact OD1-CG 3.22Å; N931-N941 PolarHBondContact OD1-OD1 3.02Å; N931-N941 VanDerWaalsContact OD1-OD1 3.07Å; F939-N941 HydrophobicContact CD1-CB 4.26Å; F939-N941 HydrophobicContact CE1-CB 3.57Å; F939-N941 VanDerWaalsContact CE1-CB 3.5Å; F939-N941 HydrophobicContact CZ-CB 4Å; N941-N943 PolarHBondContact ND2-OD1 2.78Å; N941-N943 PolarHBondContact OD1-OD1 3.06Å; N941-N943 VanDerWaalsContact OD1-OD1 3.11Å; N941-L962 HydrophobicContact CB-CB 4.42Å; N941-L962 HydrophobicContact CB-CD2 4.41Å; N941-L962 PolarHBondContact N-O 3.1Å; N941-L962 PolarHBondContact O-N 3.08Å
942	F	57	Low	53.4	Low	50.5 Å²	50.5	70.6 Å²	70.6	22%	0.221	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.1	171.8	-166.8	-93.9	0	0	0	108.4	L855 L856 L857 F902 L928 Q929 I930 L940 S958 I959 F961	L855-F942 HydrophobicContact CD2-CD1 3.75Å; L855-F942 HydrophobicContact CD2-CE1 3.6Å; L856-F942 CarbonylContact C-O 3.56Å; L856-F942 WeakPolarHBondContact CA-O 3.3Å; L857-F942 HydrophobicContact CB-CB 4.25Å; L857-F942 HydrophobicContact CD2-CB 4.31Å; L857-F942 PolarHBondContact N-O 3.16Å; L857-F942 PolarHBondContact O-N 3.22Å; F902-F942 AromaticContact CD1-CE1 3.96Å; F902-F942 HydrophobicContact CD1-CE1 3.96Å; F902-F942 HydrophobicContact CD1-CE2 4.28Å; F902-F942 AromaticContact CD1-CZ 3.69Å; F902-F942 HydrophobicContact CD1-CZ 3.69Å; F902-F942 HydrophobicContact CD2-CD1 4.16Å; F902-F942 AromaticContact CD2-CE1 3.69Å; F902-F942 HydrophobicContact CD2-CE1 3.69Å; F902-F942 HydrophobicContact CD2-CZ 4.29Å; F902-F942 AromaticContact CE1-CE1 3.44Å; F902-F942 HydrophobicContact CE1-CE1 3.44Å; F902-F942 VanDerWaalsContact CE1-CE1 3.44Å; F902-F942 AromaticContact CE1-CE2 3.97Å; F902-F942 HydrophobicContact CE1-CE2 3.97Å; F902-F942 AromaticContact CE1-CZ 3.06Å; F902-F942 HydrophobicContact CE1-CZ 3.06Å; F902-F942 AromaticContact CE2-CD1 3.97Å; F902-F942 HydrophobicContact CE2-CD1 3.97Å; F902-F942 AromaticContact CE2-CE1 3.16Å; F902-F942 HydrophobicContact CE2-CE1 3.16Å; F902-F942 AromaticContact CE2-CZ 3.79Å; F902-F942 HydrophobicContact CE2-CZ 3.79Å; F902-F942 HydrophobicContact CG-CE1 4.1Å; F902-F942 HydrophobicContact CG-CZ 4.29Å; F902-F942 HydrophobicContact CZ-CD1 4.2Å; F902-F942 AromaticContact CZ-CE1 3.03Å; F902-F942 HydrophobicContact CZ-CE1 3.03Å; F902-F942 HydrophobicContact CZ-CE2 4.38Å; F902-F942 AromaticContact CZ-CZ 3.15Å; F902-F942 HydrophobicContact CZ-CZ 3.15Å; L928-F942 HydrophobicContact CD2-CE1 4.41Å; Q929-F942 CarbonylContact C-O 3.52Å; Q929-F942 WeakPolarHBondContact CA-O 3.23Å; I930-F942 HydrophobicContact CB-CB 4.29Å; I930-F942 HydrophobicContact CD1-CD1 4.06Å; I930-F942 HydrophobicContact CG1-CD1 4.4Å; I930-F942 PolarHBondContact N-O 2.88Å; I930-F942 PolarHBondContact O-N 2.94Å; L940-F942 HydrophobicContact CB-CE2 4.02Å; F942-S958 CarbonylContact O-C 3.53Å; F942-S958 VanDerWaalsContact O-CA 3.31Å; F942-S958 WeakPolarHBondContact O-CA 3Å; F942-I959 HydrophobicContact CB-CB 4.17Å; F942-I959 WeakPolarHBondContact CB-O 3.49Å; F942-I959 HydrophobicContact CD2-CG2 4.45Å; F942-I959 WeakPolarHBondContact CD2-O 3.42Å; F942-I959 HydrophobicContact CE2-CG2 3.7Å; F942-I959 HydrophobicContact CZ-CG2 4.15Å; F942-I959 PolarHBondContact N-O 3.37Å; F942-I959 PolarHBondContact O-N 3.45Å; F942-F961 HydrophobicContact CB-CD2 4.16Å; F942-F961 HydrophobicContact CD2-CB 4.39Å; F942-F961 AromaticContact CD2-CD2 3.75Å; F942-F961 HydrophobicContact CD2-CD2 3.91Å; F942-F961 AromaticContact CD2-CE2 3.52Å; F942-F961 HydrophobicContact CD2-CE2 3.52Å; F942-F961 AromaticContact CE2-CD2 3.29Å; F942-F961 HydrophobicContact CE2-CD2 3.29Å; F942-F961 AromaticContact CE2-CE2 3.22Å; F942-F961 HydrophobicContact CE2-CE2 3.22Å; F942-F961 HydrophobicContact CE2-CG 4.42Å; F942-F961 HydrophobicContact CE2-CZ 4.31Å; F942-F961 HydrophobicContact CZ-CD2 4.4Å; F942-F961 HydrophobicContact CZ-CE2 4.02Å
943	N	62.2	Low	53.5	Low	39.25 Å²	39.25	74.1 Å²	74.1	21%	0.21	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117	175.7	-129.5	0.9	0	0	0	109.2	N854 L855 L856 T901 L928 Q929 N941 S958 S960	N854-N943 PolarHBondContact OD1-OD1 3.44Å; L855-N943 VanDerWaalsContact O-CA 3.3Å; L855-N943 WeakPolarHBondContact O-CA 3.14Å; L856-N943 HydrophobicContact CD1-CB 4.35Å; T901-N943 PolarHBondContact N-O 3.02Å; L928-N943 CarbonylContact O-C 3.52Å; L928-N943 VanDerWaalsContact O-CA 3.28Å; L928-N943 WeakPolarHBondContact O-CA 3.44Å; Q929-N943 WeakPolarHBondContact CA-OD1 3.45Å; Q929-N943 WeakPolarHBondContact CB-OD1 3.49Å; Q929-N943 WeakPolarHBondContact CG-OD1 3.17Å; N941-N943 PolarHBondContact ND2-OD1 2.78Å; N941-N943 PolarHBondContact OD1-OD1 3.06Å; N941-N943 VanDerWaalsContact OD1-OD1 3.11Å; N943-S958 WeakPolarHBondContact OD1-CB 3.42Å; N943-S960 WeakPolarHBondContact CB-OG 3.3Å; N943-S960 PolarHBondContact N-O 2.97Å; N943-S960 PolarHBondContact O-N 2.82Å; N943-S960 VanDerWaalsContact O-O 3.09Å; N943-S960 PolarHBondContact O-OG 3.06Å; N943-S960 VanDerWaalsContact O-OG 3.05Å
944	Y	57.1	Low	53.3	Low	55.25 Å²	55.25	75 Å²	75	22%	0.217	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.7	170.3	155.2	-100.2	0	0	0	109.7	K631 Y696 N854 L855 R899 V927 L928 N957 I959	K631-Y944 HydrophobicContact CD-CE1 4.37Å; K631-Y944 PolarHBondContact NZ-OH 2.98Å; Y696-Y944 AromaticContact CD1-CD1 3.71Å; Y696-Y944 HydrophobicContact CD1-CD1 3.71Å; Y696-Y944 AromaticContact CD1-CE1 3.54Å; Y696-Y944 HydrophobicContact CD1-CE1 3.54Å; Y696-Y944 AromaticContact CE1-CD1 3.93Å; Y696-Y944 HydrophobicContact CE1-CD1 3.93Å; Y696-Y944 AromaticContact CE1-CE1 3.98Å; Y696-Y944 HydrophobicContact CE1-CE1 3.98Å; N854-Y944 CarbonylContact C-O 3.53Å; N854-Y944 VanDerWaalsContact CA-O 3.29Å; N854-Y944 WeakPolarHBondContact CA-O 3.43Å; N854-Y944 PolarHBondContact OD1-O 3.48Å; L855-Y944 PolarHBondContact N-O 3.07Å; L855-Y944 PolarHBondContact O-N 3.1Å; R899-Y944 WeakPolarHBondContact O-CA 3.28Å; V927-Y944 CarbonylContact C-O 3.6Å; V927-Y944 WeakPolarHBondContact CA-O 3.26Å; L928-Y944 PolarHBondContact N-O 3.14Å; L928-Y944 PolarHBondContact O-N 3.46Å; Y944-N957 HydrophobicContact CD1-CB 3.59Å; Y944-N957 HydrophobicContact CE1-CB 3.14Å; Y944-N957 HydrophobicContact CE2-CB 4.45Å; Y944-N957 HydrophobicContact CG-CB 4.43Å; Y944-N957 VanDerWaalsContact CZ-ND2 3.31Å; Y944-N957 PolarHBondContact N-O 3.01Å; Y944-N957 PolarHBondContact O-N 2.75Å; Y944-N957 PolarHBondContact OH-ND2 3.15Å; Y944-N957 PolarHBondContact OH-OD1 2.98Å; Y944-I959 HydrophobicContact CD2-CD1 4.21Å; Y944-I959 HydrophobicContact CD2-CG1 3.67Å; Y944-I959 HydrophobicContact CE2-CD1 4.17Å; Y944-I959 HydrophobicContact CE2-CG1 4.12Å
945	L	60.3	Low	53.5	Low	60.25 Å²	60.25	77.3 Å²	77.3	32%	0.315	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.7	177.9	-81.8	157.4	0	0	0	109	N853 N854 I925 Q926 V927 T956 S958	N853-L945 WeakPolarHBondContact O-CA 3.39Å; N854-L945 HydrophobicContact CB-CD2 3.75Å; I925-L945 HydrophobicContact CG2-CD2 4.05Å; Q926-L945 WeakPolarHBondContact O-CA 3.23Å; V927-L945 HydrophobicContact CB-CD2 4.08Å; V927-L945 HydrophobicContact CG1-CD2 4.04Å; V927-L945 HydrophobicContact CG1-CG 4.09Å; V927-L945 HydrophobicContact CG2-CD2 3.45Å; V927-L945 VanDerWaalsContact CG2-CD2 3.45Å; V927-L945 HydrophobicContact CG2-CG 4.38Å; L945-T956 HydrophobicContact CD2-CG2 3.29Å; L945-T956 HydrophobicContact CG-CG2 3.94Å; L945-S958 WeakPolarHBondContact CB-OG 3.3Å; L945-S958 PolarHBondContact N-O 3.02Å; L945-S958 PolarHBondContact O-N 3.17Å; L945-S958 VanDerWaalsContact O-O 3.13Å; L945-S958 PolarHBondContact O-OG 3.16Å; L945-S958 VanDerWaalsContact O-OG 3.09Å
946	S	53.6	Low	53.9	Low	24.25 Å²	24.25	78.1 Å²	78.1	17%	0.17	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123	169.9	173.7	0	0	0	0	108.8	N853 Q926 N957	N853-S946 WeakPolarHBondContact CB-O 3.44Å; N853-S946 PolarHBondContact O-N 3.19Å; N853-S946 VanDerWaalsContact O-N 3.1Å; Q926-S946 PolarHBondContact N-O 3.38Å; Q926-S946 PolarHBondContact O-N 3.03Å; S946-N957 WeakPolarHBondContact CB-OD1 3.46Å; S946-N957 PolarHBondContact OG-OD1 3.01Å; S946-N957 VanDerWaalsContact OG-OD1 3.1Å
947	M	56.1	Low	54.3	Low	96.25 Å²	96.25	75.9 Å²	75.9	47%	0.474	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.2	173.4	-79.8	-151.4	69.6	0	0	109.3	I925 E949 T956	I925-M947 HydrophobicContact CG1-CG 4.06Å; M947-E949 HydrophobicContact CE-CG 4.24Å; M947-T956 WeakPolarHBondContact CB-OG1 3.4Å; M947-T956 PolarHBondContact N-O 3.05Å; M947-T956 PolarHBondContact O-N 3.16Å; M947-T956 PolarHBondContact O-OG1 3.16Å
948	D	49.5	Very low	54.6	Low	76.75 Å²	76.75	77.4 Å²	77.4	41%	0.41	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	112.9	167.4	-72	-14.4	0	0	0	107.2	H896 E950 E951 K955	H896-D948 IonicContact CE1-OD1 3.72Å; H896-D948 PolarHBondContact CE1-OD1 2.72Å; H896-D948 IonicContact ND1-OD1 3.12Å; H896-D948 PolarHBondContact ND1-OD1 2.69Å; H896-D948 VanDerWaalsContact ND1-OD1 3.1Å; D948-E950 PolarHBondContact O-N 2.89Å; D948-E950 VanDerWaalsContact O-N 3.09Å; D948-E951 CarbonylContact O-C 3.59Å; D948-E951 PolarHBondContact O-N 3.25Å; D948-K955 WeakPolarHBondContact OD1-CD 3.35Å; D948-K955 VanDerWaalsContact OD1-CE 3.31Å; D948-K955 WeakPolarHBondContact OD1-CE 3.39Å; D948-K955 VanDerWaalsContact OD1-CG 3.3Å; D948-K955 WeakPolarHBondContact OD1-CG 3.22Å; D948-K955 VanDerWaalsContact OD2-CE 3.31Å; D948-K955 WeakPolarHBondContact OD2-CE 3.47Å; D948-K955 IonicContact OD2-NZ 3.35Å; D948-K955 PolarHBondContact OD2-NZ 3.04Å
949	E	50.3	Low	54.9	Low	116.75 Å²	116.75	76.1 Å²	76.1	55%	0.546	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	88	172.7	-78.4	-174.5	170.1	0	0	109.9	M947 E951 N952 N954	M947-E949 HydrophobicContact CE-CG 4.24Å; E949-E951 PolarHBondContact O-N 2.97Å; E949-N952 PolarHBondContact O-N 3.01Å; E949-N954 PolarHBondContact N-O 2.97Å; E949-N954 VanDerWaalsContact N-O 3.1Å
950	E	48.9	Very low	55	Low	180.75 Å²	180.75	75.8 Å²	75.8	85%	0.845	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.3	-177.4	-72.4	-170.1	163.7	0	0	113.5	D948 N952	D948-E950 PolarHBondContact O-N 2.89Å; D948-E950 VanDerWaalsContact O-N 3.09Å; E950-N952 VanDerWaalsContact C-N 3.26Å; E950-N952 PolarHBondContact O-N 3.43Å; E950-N952 VanDerWaalsContact O-N 3.09Å
951	E	48.5	Very low	55.1	Low	170.75 Å²	170.75	76.8 Å²	76.8	80%	0.798	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.2	-178.6	-72.9	-170.2	163.9	0	0	113	D948 E949 N953	D948-E951 CarbonylContact O-C 3.59Å; D948-E951 PolarHBondContact O-N 3.25Å; E949-E951 PolarHBondContact O-N 2.97Å; E951-N953 HydrophobicContact CB-CB 4.37Å; E951-N953 PolarHBondContact O-N 3.49Å
952	N	47.6	Very low	55	Low	122.5 Å²	122.5	77.7 Å²	77.7	66%	0.655	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	14.6	-177.5	-90	-31.8	0	0	0	115.7	E949 E950 N954	E949-N952 PolarHBondContact O-N 3.01Å; E950-N952 VanDerWaalsContact C-N 3.26Å; E950-N952 PolarHBondContact O-N 3.43Å; E950-N952 VanDerWaalsContact O-N 3.09Å; N952-N954 HydrophobicContact CB-CB 4.48Å; N952-N954 PolarHBondContact O-N 3.13Å; N952-N954 VanDerWaalsContact O-N 3.16Å; N952-N954 PolarHBondContact O-OD1 2.94Å
953	N	49.6	Very low	54.9	Low	113.75 Å²	113.75	78.1 Å²	78.1	61%	0.608	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	31.7	44.1	-176.1	-77.7	-16.7	0	0	0	112.8	E951 K955 N991	E951-N953 HydrophobicContact CB-CB 4.37Å; E951-N953 PolarHBondContact O-N 3.49Å; N953-K955 PolarHBondContact O-N 3.14Å; N953-N991 PolarHBondContact O-N 2.96Å
954	N	49.3	Very low	54.6	Low	49.75 Å²	49.75	79.1 Å²	79.1	27%	0.266	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	112.4	173.4	-78.7	-20.2	0	0	0	108.7	E949 N952 T956 N989 Q990	E949-N954 PolarHBondContact N-O 2.97Å; E949-N954 VanDerWaalsContact N-O 3.1Å; N952-N954 HydrophobicContact CB-CB 4.48Å; N952-N954 PolarHBondContact O-N 3.13Å; N952-N954 VanDerWaalsContact O-N 3.16Å; N952-N954 PolarHBondContact O-OD1 2.94Å; N954-T956 PolarHBondContact O-N 2.67Å; N954-T956 VanDerWaalsContact O-N 3.1Å; N954-N989 WeakPolarHBondContact CA-O 3.05Å; N954-Q990 WeakPolarHBondContact OD1-CB 3.4Å; N954-Q990 VanDerWaalsContact OD1-CD 3.3Å; N954-Q990 WeakPolarHBondContact OD1-CG 3.24Å; N954-Q990 PolarHBondContact OD1-NE2 3.43Å
955	K	53.9	Low	54.3	Low	106.5 Å²	106.5	83.1 Å²	83.1	46%	0.463	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	112.4	170.5	-68	-164.9	171.7	175.8	0	109.2	D948 N953 N988 N989	D948-K955 WeakPolarHBondContact OD1-CD 3.35Å; D948-K955 VanDerWaalsContact OD1-CE 3.31Å; D948-K955 WeakPolarHBondContact OD1-CE 3.39Å; D948-K955 VanDerWaalsContact OD1-CG 3.3Å; D948-K955 WeakPolarHBondContact OD1-CG 3.22Å; D948-K955 VanDerWaalsContact OD2-CE 3.31Å; D948-K955 WeakPolarHBondContact OD2-CE 3.47Å; D948-K955 IonicContact OD2-NZ 3.35Å; D948-K955 PolarHBondContact OD2-NZ 3.04Å; N953-K955 PolarHBondContact O-N 3.14Å; K955-N988 WeakPolarHBondContact O-CA 3.5Å; K955-N988 PolarHBondContact O-OD1 2.96Å; K955-N989 HydrophobicContact CB-CB 4.49Å; K955-N989 PolarHBondContact N-O 2.83Å; K955-N989 VanDerWaalsContact N-O 3.08Å; K955-N989 PolarHBondContact O-N 3.17Å
956	T	55.8	Low	53.8	Low	62.75 Å²	62.75	83.4 Å²	83.4	39%	0.385	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.5	171.8	55.6	0	0	0	0	109.6	L945 M947 N954 I987 N988	L945-T956 HydrophobicContact CD2-CG2 3.29Å; L945-T956 HydrophobicContact CG-CG2 3.94Å; M947-T956 WeakPolarHBondContact CB-OG1 3.4Å; M947-T956 PolarHBondContact N-O 3.05Å; M947-T956 PolarHBondContact O-N 3.16Å; M947-T956 PolarHBondContact O-OG1 3.16Å; N954-T956 PolarHBondContact O-N 2.67Å; N954-T956 VanDerWaalsContact O-N 3.1Å; T956-I987 WeakPolarHBondContact CA-O 3.47Å; T956-N988 HydrophobicContact CG2-CB 4.21Å; T956-N988 VanDerWaalsContact CG2-OD1 3.28Å; T956-N988 WeakPolarHBondContact CG2-OD1 3.39Å
957	N	58.5	Low	53.4	Low	48.25 Å²	48.25	87.3 Å²	87.3	26%	0.258	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.1	173.7	-74.6	-23.3	0	0	0	108.6	Y944 S946 K986 I987	Y944-N957 HydrophobicContact CD1-CB 3.59Å; Y944-N957 HydrophobicContact CE1-CB 3.14Å; Y944-N957 HydrophobicContact CE2-CB 4.45Å; Y944-N957 HydrophobicContact CG-CB 4.43Å; Y944-N957 VanDerWaalsContact CZ-ND2 3.31Å; Y944-N957 PolarHBondContact N-O 3.01Å; Y944-N957 PolarHBondContact O-N 2.75Å; Y944-N957 PolarHBondContact OH-ND2 3.15Å; Y944-N957 PolarHBondContact OH-OD1 2.98Å; S946-N957 WeakPolarHBondContact CB-OD1 3.46Å; S946-N957 PolarHBondContact OG-OD1 3.01Å; S946-N957 VanDerWaalsContact OG-OD1 3.1Å; N957-K986 WeakPolarHBondContact O-CA 3.36Å; N957-I987 PolarHBondContact N-O 3.06Å; N957-I987 PolarHBondContact O-N 3.2Å
958	S	58.3	Low	52.6	Low	45.25 Å²	45.25	86.6 Å²	86.6	32%	0.316	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.9	175.1	61.5	0	0	0	0	110.5	F942 N943 L945 L985	F942-S958 CarbonylContact O-C 3.53Å; F942-S958 VanDerWaalsContact O-CA 3.31Å; F942-S958 WeakPolarHBondContact O-CA 3Å; N943-S958 WeakPolarHBondContact OD1-CB 3.42Å; L945-S958 WeakPolarHBondContact CB-OG 3.3Å; L945-S958 PolarHBondContact N-O 3.02Å; L945-S958 PolarHBondContact O-N 3.17Å; L945-S958 VanDerWaalsContact O-O 3.13Å; L945-S958 PolarHBondContact O-OG 3.16Å; L945-S958 VanDerWaalsContact O-OG 3.09Å; S958-L985 CarbonylContact C-O 3.55Å; S958-L985 VanDerWaalsContact CA-O 3.32Å; S958-L985 WeakPolarHBondContact CA-O 3.38Å
959	I	59.9	Low	52	Low	56.5 Å²	56.5	86.9 Å²	86.9	29%	0.29	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.4	171.6	-58.3	169.4	0	0	0	106.7	F942 Y944 F961 F983 N984 L985	F942-I959 HydrophobicContact CB-CB 4.17Å; F942-I959 WeakPolarHBondContact CB-O 3.49Å; F942-I959 HydrophobicContact CD2-CG2 4.45Å; F942-I959 WeakPolarHBondContact CD2-O 3.42Å; F942-I959 HydrophobicContact CE2-CG2 3.7Å; F942-I959 HydrophobicContact CZ-CG2 4.15Å; F942-I959 PolarHBondContact N-O 3.37Å; F942-I959 PolarHBondContact O-N 3.45Å; Y944-I959 HydrophobicContact CD2-CD1 4.21Å; Y944-I959 HydrophobicContact CD2-CG1 3.67Å; Y944-I959 HydrophobicContact CE2-CD1 4.17Å; Y944-I959 HydrophobicContact CE2-CG1 4.12Å; I959-F961 HydrophobicContact CG2-CD2 4.25Å; I959-F961 HydrophobicContact CG2-CE2 3.66Å; I959-F961 HydrophobicContact CG2-CZ 4.24Å; I959-F983 HydrophobicContact CG2-CE1 4.49Å; I959-N984 WeakPolarHBondContact O-CA 3.41Å; I959-L985 HydrophobicContact CB-CB 4.39Å; I959-L985 HydrophobicContact CD1-CD2 4.19Å; I959-L985 HydrophobicContact CG1-CD2 4.33Å; I959-L985 PolarHBondContact N-O 3.13Å; I959-L985 PolarHBondContact O-N 3.13Å
960	S	60.1	Low	51.2	Low	46.25 Å²	46.25	90 Å²	90	32%	0.323	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.7	173.8	54.5	0	0	0	0	109.8	L940 N943 F983 N984	L940-S960 CarbonylContact O-C 3.51Å; L940-S960 WeakPolarHBondContact O-CA 3.34Å; N943-S960 WeakPolarHBondContact CB-OG 3.3Å; N943-S960 PolarHBondContact N-O 2.97Å; N943-S960 PolarHBondContact O-N 2.82Å; N943-S960 VanDerWaalsContact O-O 3.09Å; N943-S960 PolarHBondContact O-OG 3.06Å; N943-S960 VanDerWaalsContact O-OG 3.05Å; S960-F983 WeakPolarHBondContact CA-O 3.42Å; S960-N984 WeakPolarHBondContact CB-OD1 3.39Å
961	F	58.8	Low	50.5	Low	60.5 Å²	60.5	90 Å²	90	27%	0.265	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.1	174.5	-163.8	-104.4	0	0	0	108.9	F939 L940 F942 I959 I963 F981 Q982 F983	F939-F961 CarbonylContact C-O 3.57Å; F939-F961 VanDerWaalsContact CA-O 3.32Å; F939-F961 WeakPolarHBondContact CA-O 3.48Å; L940-F961 HydrophobicContact CB-CB 4.03Å; L940-F961 HydrophobicContact CB-CD2 4.39Å; L940-F961 HydrophobicContact CD1-CB 4.26Å; L940-F961 HydrophobicContact CD2-CE2 4.42Å; L940-F961 HydrophobicContact CD2-CZ 4.09Å; L940-F961 PolarHBondContact N-O 3.09Å; L940-F961 PolarHBondContact O-N 2.93Å; F942-F961 HydrophobicContact CB-CD2 4.16Å; F942-F961 HydrophobicContact CD2-CB 4.39Å; F942-F961 AromaticContact CD2-CD2 3.75Å; F942-F961 HydrophobicContact CD2-CD2 3.91Å; F942-F961 AromaticContact CD2-CE2 3.52Å; F942-F961 HydrophobicContact CD2-CE2 3.52Å; F942-F961 AromaticContact CE2-CD2 3.29Å; F942-F961 HydrophobicContact CE2-CD2 3.29Å; F942-F961 AromaticContact CE2-CE2 3.22Å; F942-F961 HydrophobicContact CE2-CE2 3.22Å; F942-F961 HydrophobicContact CE2-CG 4.42Å; F942-F961 HydrophobicContact CE2-CZ 4.31Å; F942-F961 HydrophobicContact CZ-CD2 4.4Å; F942-F961 HydrophobicContact CZ-CE2 4.02Å; I959-F961 HydrophobicContact CG2-CD2 4.25Å; I959-F961 HydrophobicContact CG2-CE2 3.66Å; I959-F961 HydrophobicContact CG2-CZ 4.24Å; F961-I963 HydrophobicContact CD1-CG1 4.23Å; F961-I963 HydrophobicContact CE1-CD1 3.5Å; F961-I963 VanDerWaalsContact CE1-CD1 3.47Å; F961-I963 HydrophobicContact CE1-CG1 3.39Å; F961-I963 VanDerWaalsContact CE1-CG1 3.43Å; F961-I963 HydrophobicContact CE2-CG1 4.42Å; F961-I963 HydrophobicContact CZ-CD1 3.65Å; F961-I963 HydrophobicContact CZ-CG1 3.55Å; F961-I963 VanDerWaalsContact CZ-CG1 3.46Å; F961-F981 HydrophobicContact CD1-CD1 4.12Å; F961-F981 AromaticContact CD1-CE1 3.89Å; F961-F981 HydrophobicContact CD1-CE1 3.89Å; F961-F981 HydrophobicContact CE1-CD1 4.16Å; F961-F981 AromaticContact CE1-CE1 3.89Å; F961-F981 HydrophobicContact CE1-CE1 4.03Å; F961-Q982 WeakPolarHBondContact O-CA 3.38Å; F961-F983 HydrophobicContact CB-CB 4.37Å; F961-F983 HydrophobicContact CB-CD1 4.44Å; F961-F983 PolarHBondContact N-O 3.14Å; F961-F983 PolarHBondContact O-N 3.22Å
962	L	59.1	Low	49.7	Very low	48.25 Å²	48.25	89.8 Å²	89.8	25%	0.253	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.1	-179	-173.7	104.2	0	0	0	109.3	F939 N941 H964 M970 N980 F981 Q982	F939-L962 HydrophobicContact CD1-CD2 4.45Å; F939-L962 HydrophobicContact CD2-CD1 4.27Å; N941-L962 HydrophobicContact CB-CB 4.42Å; N941-L962 HydrophobicContact CB-CD2 4.41Å; N941-L962 PolarHBondContact N-O 3.1Å; N941-L962 PolarHBondContact O-N 3.08Å; L962-H964 HydrophobicContact CD1-CB 4.35Å; L962-H964 HydrophobicContact CD2-CB 4Å; L962-H964 HydrophobicContact CG-CB 3.89Å; L962-H964 PolarHBondContact O-N 3.21Å; L962-M970 HydrophobicContact CD1-CE 3.33Å; L962-M970 HydrophobicContact CD1-SD 3.73Å; L962-M970 HydrophobicContact CD2-CG 4.21Å; L962-M970 HydrophobicContact CD2-SD 3.92Å; L962-M970 HydrophobicContact CG-SD 4.45Å; L962-N980 HydrophobicContact CD1-CB 4.4Å; L962-F981 WeakPolarHBondContact CA-O 3.21Å; L962-Q982 HydrophobicContact CD1-CB 4.3Å; L962-Q982 HydrophobicContact CD1-CG 4.31Å
963	I	56	Low	49	Very low	59.25 Å²	59.25	91 Å²	91	30%	0.304	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109	166.8	-50	-174.6	0	0	0	107.4	G937 F938 F939 L940 F961 N980 F981 F1004	G937-I963 CarbonylContact C-O 3.47Å; G937-I963 VanDerWaalsContact C-O 3.27Å; G937-I963 WeakPolarHBondContact CA-O 3.49Å; F938-I963 HydrophobicContact CB-CB 4.32Å; F938-I963 HydrophobicContact CD1-CG2 4.08Å; F938-I963 PolarHBondContact N-O 3.14Å; F938-I963 VanDerWaalsContact N-O 3.15Å; F938-I963 PolarHBondContact O-N 3.13Å; F939-I963 WeakPolarHBondContact O-CA 3.4Å; L940-I963 HydrophobicContact CD2-CB 4.17Å; L940-I963 HydrophobicContact CD2-CD1 3.81Å; L940-I963 HydrophobicContact CD2-CG1 3.59Å; L940-I963 VanDerWaalsContact CD2-CG1 3.46Å; L940-I963 HydrophobicContact CD2-CG2 3.91Å; F961-I963 HydrophobicContact CD1-CG1 4.23Å; F961-I963 HydrophobicContact CE1-CD1 3.5Å; F961-I963 VanDerWaalsContact CE1-CD1 3.47Å; F961-I963 HydrophobicContact CE1-CG1 3.39Å; F961-I963 VanDerWaalsContact CE1-CG1 3.43Å; F961-I963 HydrophobicContact CE2-CG1 4.42Å; F961-I963 HydrophobicContact CZ-CD1 3.65Å; F961-I963 HydrophobicContact CZ-CG1 3.55Å; F961-I963 VanDerWaalsContact CZ-CG1 3.46Å; I963-N980 WeakPolarHBondContact O-CA 3.26Å; I963-F981 HydrophobicContact CB-CB 4.21Å; I963-F981 HydrophobicContact CD1-CD1 4.3Å; I963-F981 HydrophobicContact CG1-CB 4.43Å; I963-F981 HydrophobicContact CG1-CD1 4.15Å; I963-F981 PolarHBondContact N-O 3.03Å; I963-F981 PolarHBondContact O-N 3.23Å; I963-F981 VanDerWaalsContact O-N 3.15Å; I963-F1004 HydrophobicContact CB-CZ 4.31Å; I963-F1004 HydrophobicContact CG2-CZ 4.21Å
964	H	55.1	Low	48.3	Very low	60.5 Å²	60.5	94.3 Å²	94.3	28%	0.28	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.2	175.2	178.9	-73.2	0	0	0	110.8	F938 F939 L962 T966 V968 N980	F938-H964 CarbonylContact C-O 3.59Å; F938-H964 WeakPolarHBondContact CA-O 3.43Å; F939-H964 HydrophobicContact CB-CB 4.3Å; F939-H964 HydrophobicContact CD1-CB 4.3Å; F939-H964 PolarHBondContact N-O 3.08Å; F939-H964 PolarHBondContact O-N 3.12Å; L962-H964 HydrophobicContact CD1-CB 4.35Å; L962-H964 HydrophobicContact CD2-CB 4Å; L962-H964 HydrophobicContact CG-CB 3.89Å; L962-H964 PolarHBondContact O-N 3.21Å; H964-T966 PolarHBondContact O-N 3.42Å; H964-V968 PolarHBondContact CD2-O 3.05Å; H964-V968 VanDerWaalsContact CD2-O 3.24Å; H964-N980 PolarHBondContact CD2-ND2 3.3Å; H964-N980 PolarHBondContact CD2-OD1 3.26Å; H964-N980 PolarHBondContact CE1-OD1 2.92Å; H964-N980 PolarHBondContact ND1-OD1 3.24Å; H964-N980 PolarHBondContact NE2-ND2 2.91Å; H964-N980 PolarHBondContact NE2-OD1 3.41Å
965	R	50.7	Low	47.8	Very low	139 Å²	139	97.8 Å²	97.8	53%	0.525	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.5	169.5	-128.6	-178.2	176.3	-177.9	1	109.3	N906 F938 N967 V968	N906-R965 PolarHBondContact O-NH2 3.36Å; F938-R965 HydrophobicContact CD1-CG 4.48Å; F938-R965 HydrophobicContact CE1-CB 4.38Å; F938-R965 HydrophobicContact CE1-CG 4.05Å; F938-R965 HydrophobicContact CZ-CG 4.48Å; R965-N967 PolarHBondContact O-N 3.33Å; R965-V968 PolarHBondContact O-N 3.27Å
966	T	49.8	Very low	47	Very low	67 Å²	67	97.7 Å²	97.7	41%	0.411	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	19.3	-173.4	53.4	0	0	0	0	114.1	L860 G937 F939 H964 V968	L860-T966 HydrophobicContact CD1-CG2 4.22Å; G937-T966 VanDerWaalsContact C-OG1 3.25Å; G937-T966 WeakPolarHBondContact CA-OG1 3.3Å; G937-T966 PolarHBondContact O-N 3.21Å; G937-T966 PolarHBondContact O-OG1 3.33Å; G937-T966 VanDerWaalsContact O-OG1 3.12Å; F939-T966 HydrophobicContact CB-CG2 4.12Å; H964-T966 PolarHBondContact O-N 3.42Å; T966-V968 VanDerWaalsContact C-N 3.31Å; T966-V968 PolarHBondContact O-N 2.95Å
967	N	45.7	Very low	46.3	Very low	106 Å²	106	102.4 Å²	102.4	57%	0.567	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	12.7	-178.1	-81.4	8.9	0	0	0	114.8	R965	R965-N967 PolarHBondContact O-N 3.33Å
968	V	39.4	Very low	45.6	Very low	80.75 Å²	80.75	104.9 Å²	104.9	49%	0.489	55%	0.545	S	S	.	.	S	Bend	trans	-119.8	116	174.4	-170.2	0	0	0	0	108.8	H964 R965 T966 M970 Q972 N979	H964-V968 PolarHBondContact CD2-O 3.05Å; H964-V968 VanDerWaalsContact CD2-O 3.24Å; R965-V968 PolarHBondContact O-N 3.27Å; T966-V968 VanDerWaalsContact C-N 3.31Å; T966-V968 PolarHBondContact O-N 2.95Å; V968-M970 PolarHBondContact O-N 3.14Å; V968-Q972 HydrophobicContact CG1-CB 4.08Å; V968-N979 WeakPolarHBondContact CG2-ND2 3.26Å
969	S	36.3	Very low	45.3	Very low	84 Å²	84	105 Å²	105	59%	0.587	54%	0.542	S	S	*	.			trans	-53.4	125.8	173.5	50	0	0	0	0	110.8	Q971 Q972	S969-Q971 PolarHBondContact O-N 3.18Å; S969-Q972 PolarHBondContact O-N 3.34Å; S969-Q972 VanDerWaalsContact O-N 3.15Å
970	M	33.3	Very low	45.1	Very low	181 Å²	181	104.3 Å²	104.3	89%	0.892	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	20.4	-178.2	-88.5	-126.1	179.9	0	0	115.5	L962 V968	L962-M970 HydrophobicContact CD1-CE 3.33Å; L962-M970 HydrophobicContact CD1-SD 3.73Å; L962-M970 HydrophobicContact CD2-CG 4.21Å; L962-M970 HydrophobicContact CD2-SD 3.92Å; L962-M970 HydrophobicContact CG-SD 4.45Å; V968-M970 PolarHBondContact O-N 3.14Å
971	Q	34.8	Very low	45	Very low	180.5 Å²	180.5	104.8 Å²	104.8	84%	0.843	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	22.1	177.7	-71.1	-170.1	-17.4	0	0	114	S969	S969-Q971 PolarHBondContact O-N 3.18Å
972	Q	32.3	Very low	45.4	Very low	167.25 Å²	167.25	105.1 Å²	105.1	78%	0.782	54%	0.538	S	S	*	.	S	Bend	trans	-136.3	110.2	169.4	-75.5	179.9	-7.6	0	0	112.7	V968 S969	V968-Q972 HydrophobicContact CG1-CB 4.08Å; S969-Q972 PolarHBondContact O-N 3.34Å; S969-Q972 VanDerWaalsContact O-N 3.15Å
973	N	32.6	Very low	45.7	Very low	147.5 Å²	147.5	105.7 Å²	105.7	79%	0.789	54%	0.538	S	S	*	.			trans	-22.5	135.8	169.4	-70.9	-24.8	0	0	0	117.7	V975	N973-V975 PolarHBondContact O-N 3.12Å
974	H	34.9	Very low	46.4	Very low	183.5 Å²	183.5	104.9 Å²	104.9	85%	0.85	54%	0.535	S	S	*	.	S	Bend	trans	3.7	48.3	159.1	-66.5	-67.4	0	0	0	118.6	T976	H974-T976 VanDerWaalsContact C-N 3.28Å; H974-T976 PolarHBondContact O-N 3.13Å
975	V	38.1	Very low	47	Very low	123.5 Å²	123.5	103.6 Å²	103.6	75%	0.748	53%	0.53	S	S	*	.			trans	-125.9	76.8	158.7	-168.7	0	0	0	0	109.6	N973 Q977	N973-V975 PolarHBondContact O-N 3.12Å; V975-Q977 HydrophobicContact CG1-CG 4.32Å; V975-Q977 PolarHBondContact O-N 3.27Å
976	T	38.2	Very low	47.9	Very low	105 Å²	105	102.4 Å²	102.4	64%	0.644	53%	0.528	S	S	*	.			trans	-93.3	51.9	-179	47.9	0	0	0	0	113.5	H974 N978	H974-T976 VanDerWaalsContact C-N 3.28Å; H974-T976 PolarHBondContact O-N 3.13Å; T976-N978 PolarHBondContact O-N 3.42Å
977	Q	40.7	Very low	48.7	Very low	160 Å²	160	101.4 Å²	101.4	75%	0.748	52%	0.52	S	S	*	.			trans	-78.3	59	170.3	-65.4	-175	-19.3	0	0	114	V975 N979 Q1005	V975-Q977 HydrophobicContact CG1-CG 4.32Å; V975-Q977 PolarHBondContact O-N 3.27Å; Q977-N979 PolarHBondContact O-N 3.11Å; Q977-N979 PolarHBondContact O-OD1 3.05Å; Q977-N979 VanDerWaalsContact O-OD1 3.09Å; Q977-Q1005 HydrophobicContact CB-CB 3.82Å; Q977-Q1005 HydrophobicContact CB-CG 3.28Å; Q977-Q1005 HydrophobicContact CG-CG 4.15Å; Q977-Q1005 PolarHBondContact O-OE1 3.32Å
978	N	44	Very low	49.7	Very low	101.5 Å²	101.5	98.9 Å²	98.9	54%	0.543	51%	0.507	S	S	.	.			trans	-73.6	51.9	-174.1	-69	-16.5	0	0	0	115.6	T976 N980 Q1005	T976-N978 PolarHBondContact O-N 3.42Å; N978-N980 VanDerWaalsContact C-N 3.28Å; N978-N980 PolarHBondContact O-N 2.82Å; N978-Q1005 VanDerWaalsContact C-NE2 3.3Å; N978-Q1005 VanDerWaalsContact C-OE1 3.23Å; N978-Q1005 VanDerWaalsContact N-CD 3.34Å; N978-Q1005 PolarHBondContact O-NE2 3.11Å; N978-Q1005 PolarHBondContact O-OE1 3.02Å; N978-Q1005 VanDerWaalsContact O-OE1 3.04Å; N978-Q1005 PolarHBondContact OD1-NE2 3.13Å
979	N	51.1	Low	50.7	Low	48.25 Å²	48.25	97.3 Å²	97.3	26%	0.258	50%	0.495	S	S	.	.	S	Bend	trans	-114.7	44.1	-175.4	-73.3	-34.3	0	0	0	112.5	W907 E934 K936 V968 Q977 F1004	W907-N979 HydrophobicContact CH2-CB 4.33Å; W907-N979 WeakPolarHBondContact CH2-O 3.33Å; W907-N979 HydrophobicContact CZ2-CB 3.89Å; E934-N979 HydrophobicContact CG-CB 4.37Å; E934-N979 WeakPolarHBondContact CG-O 3.14Å; E934-N979 WeakPolarHBondContact OE1-CB 3.44Å; E934-N979 VanDerWaalsContact OE2-CB 3.25Å; E934-N979 WeakPolarHBondContact OE2-CB 3.06Å; E934-N979 PolarHBondContact OE2-ND2 2.82Å; K936-N979 PolarHBondContact NZ-ND2 3.39Å; K936-N979 PolarHBondContact NZ-OD1 3.48Å; K936-N979 VanDerWaalsContact NZ-OD1 3.1Å; V968-N979 WeakPolarHBondContact CG2-ND2 3.26Å; Q977-N979 PolarHBondContact O-N 3.11Å; Q977-N979 PolarHBondContact O-OD1 3.05Å; Q977-N979 VanDerWaalsContact O-OD1 3.09Å; N979-F1004 HydrophobicContact CB-CD1 4.41Å; N979-F1004 HydrophobicContact CB-CD2 3.69Å; N979-F1004 HydrophobicContact CB-CE2 3.96Å; N979-F1004 HydrophobicContact CB-CG 3.99Å; N979-F1004 HydrophobicContact CB-CZ 4.31Å; N979-F1004 WeakPolarHBondContact O-CE1 3.32Å; N979-F1004 WeakPolarHBondContact OD1-CE1 3.46Å; N979-F1004 VanDerWaalsContact OD1-CE2 3.31Å; N979-F1004 WeakPolarHBondContact OD1-CE2 3.46Å; N979-F1004 WeakPolarHBondContact OD1-CZ 3.25Å
980	N	55.7	Low	51.7	Low	39.75 Å²	39.75	96.9 Å²	96.9	21%	0.213	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	-170.2	-61.1	9.4	0	0	0	110.3	W907 I933 L962 I963 H964 N978 S1002 F1004	W907-N980 WeakPolarHBondContact CH2-OD1 3.13Å; W907-N980 WeakPolarHBondContact CZ3-OD1 3.47Å; I933-N980 HydrophobicContact CG2-CB 3.31Å; I933-N980 WeakPolarHBondContact CG2-OD1 3.49Å; I933-N980 CarbonylContact O-C 3.37Å; I933-N980 VanDerWaalsContact O-CA 3.32Å; I933-N980 WeakPolarHBondContact O-CA 3.5Å; L962-N980 HydrophobicContact CD1-CB 4.4Å; I963-N980 WeakPolarHBondContact O-CA 3.26Å; H964-N980 PolarHBondContact CD2-ND2 3.3Å; H964-N980 PolarHBondContact CD2-OD1 3.26Å; H964-N980 PolarHBondContact CE1-OD1 2.92Å; H964-N980 PolarHBondContact ND1-OD1 3.24Å; H964-N980 PolarHBondContact NE2-ND2 2.91Å; H964-N980 PolarHBondContact NE2-OD1 3.41Å; N978-N980 VanDerWaalsContact C-N 3.28Å; N978-N980 PolarHBondContact O-N 2.82Å; N980-S1002 VanDerWaalsContact O-O 3.07Å; N980-F1004 PolarHBondContact O-N 2.87Å
981	F	59.3	Low	52.8	Low	57.75 Å²	57.75	94.1 Å²	94.1	25%	0.253	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.4	159.3	176.6	-87.3	0	0	0	107.4	I932 I933 F961 L962 I963 F983 L1001 S1002 V1003 F1004	I932-F981 CarbonylContact C-O 3.56Å; I932-F981 VanDerWaalsContact C-O 3.26Å; I932-F981 PolarHBondContact N-O 2.89Å; I932-F981 VanDerWaalsContact O-CB 3.25Å; I932-F981 WeakPolarHBondContact O-CB 3.34Å; I933-F981 WeakPolarHBondContact CA-O 3.27Å; I933-F981 PolarHBondContact O-N 3.26Å; F961-F981 HydrophobicContact CD1-CD1 4.12Å; F961-F981 AromaticContact CD1-CE1 3.89Å; F961-F981 HydrophobicContact CD1-CE1 3.89Å; F961-F981 HydrophobicContact CE1-CD1 4.16Å; F961-F981 AromaticContact CE1-CE1 3.89Å; F961-F981 HydrophobicContact CE1-CE1 4.03Å; L962-F981 WeakPolarHBondContact CA-O 3.21Å; I963-F981 HydrophobicContact CB-CB 4.21Å; I963-F981 HydrophobicContact CD1-CD1 4.3Å; I963-F981 HydrophobicContact CG1-CB 4.43Å; I963-F981 HydrophobicContact CG1-CD1 4.15Å; I963-F981 PolarHBondContact N-O 3.03Å; I963-F981 PolarHBondContact O-N 3.23Å; I963-F981 VanDerWaalsContact O-N 3.15Å; F981-F983 HydrophobicContact CE1-CB 4.09Å; F981-F983 HydrophobicContact CZ-CB 4.47Å; F981-L1001 HydrophobicContact CD2-CD1 4.47Å; F981-L1001 HydrophobicContact CE1-CD1 4.37Å; F981-L1001 HydrophobicContact CE2-CD1 3.67Å; F981-L1001 HydrophobicContact CE2-CG 4.46Å; F981-L1001 HydrophobicContact CZ-CD1 3.55Å; F981-L1001 VanDerWaalsContact CZ-CD1 3.49Å; F981-S1002 CarbonylContact C-O 3.51Å; F981-S1002 VanDerWaalsContact CA-O 3.24Å; F981-S1002 WeakPolarHBondContact CA-O 3.32Å; F981-V1003 HydrophobicContact CD2-CG1 4.43Å; F981-V1003 HydrophobicContact CD2-CG2 4.21Å; F981-V1003 HydrophobicContact CE2-CG2 4.17Å; F981-F1004 HydrophobicContact CB-CD1 4.5Å; F981-F1004 HydrophobicContact CB-CD2 4.19Å; F981-F1004 HydrophobicContact CB-CE1 4.09Å; F981-F1004 HydrophobicContact CB-CE2 3.86Å; F981-F1004 HydrophobicContact CB-CZ 3.6Å; F981-F1004 HydrophobicContact CD2-CE2 4.38Å; F981-F1004 HydrophobicContact CG-CE2 4.42Å
982	Q	66	Low	53.7	Low	67.25 Å²	67.25	92.9 Å²	92.9	31%	0.314	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127	175.8	-156.3	-178.6	-13.2	0	0	109.7	N931 I933 F961 L962 N984 L1001 S1002	N931-Q982 HydrophobicContact CB-CB 4.25Å; N931-Q982 HydrophobicContact CB-CG 3.9Å; N931-Q982 VanDerWaalsContact CG-CG 3.41Å; N931-Q982 PolarHBondContact ND2-NE2 2.93Å; N931-Q982 WeakPolarHBondContact OD1-CA 3.15Å; N931-Q982 WeakPolarHBondContact OD1-CB 3.43Å; N931-Q982 WeakPolarHBondContact OD1-CG 3.26Å; I933-Q982 HydrophobicContact CD1-CG 4.48Å; F961-Q982 WeakPolarHBondContact O-CA 3.38Å; L962-Q982 HydrophobicContact CD1-CB 4.3Å; L962-Q982 HydrophobicContact CD1-CG 4.31Å; Q982-N984 WeakPolarHBondContact CG-OD1 3.44Å; Q982-N984 PolarHBondContact NE2-ND2 3.08Å; Q982-N984 PolarHBondContact NE2-OD1 3.11Å; Q982-N984 VanDerWaalsContact NE2-OD1 3.15Å; Q982-L1001 CarbonylContact O-C 3.53Å; Q982-L1001 VanDerWaalsContact O-CA 3.25Å; Q982-L1001 WeakPolarHBondContact O-CA 3.34Å; Q982-S1002 WeakPolarHBondContact CB-OG 3.45Å; Q982-S1002 PolarHBondContact N-O 2.88Å; Q982-S1002 PolarHBondContact O-N 3.19Å; Q982-S1002 PolarHBondContact O-OG 3.15Å; Q982-S1002 PolarHBondContact OE1-OG 2.65Å; Q982-S1002 VanDerWaalsContact OE1-OG 3.11Å
983	F	66.1	Low	54.9	Low	60.75 Å²	60.75	87.3 Å²	87.3	27%	0.266	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.3	171.2	172.8	-95.1	0	0	0	108.7	Q929 I930 N931 I959 S960 F961 F981 L985 L999 K1000 L1001	Q929-F983 CarbonylContact C-O 3.53Å; Q929-F983 WeakPolarHBondContact CA-O 3.31Å; Q929-F983 WeakPolarHBondContact CG-O 3.26Å; I930-F983 PolarHBondContact N-O 3.15Å; N931-F983 PolarHBondContact OD1-N 3.47Å; N931-F983 PolarHBondContact OD1-O 2.93Å; I959-F983 HydrophobicContact CG2-CE1 4.49Å; S960-F983 WeakPolarHBondContact CA-O 3.42Å; F961-F983 HydrophobicContact CB-CB 4.37Å; F961-F983 HydrophobicContact CB-CD1 4.44Å; F961-F983 PolarHBondContact N-O 3.14Å; F961-F983 PolarHBondContact O-N 3.22Å; F981-F983 HydrophobicContact CE1-CB 4.09Å; F981-F983 HydrophobicContact CZ-CB 4.47Å; F983-L985 HydrophobicContact CE1-CB 3.77Å; F983-L985 HydrophobicContact CZ-CB 3.84Å; F983-L985 HydrophobicContact CZ-CD2 4.39Å; F983-L999 HydrophobicContact CD2-CD2 4.3Å; F983-L999 HydrophobicContact CE2-CD1 4.05Å; F983-L999 HydrophobicContact CE2-CD2 3.73Å; F983-L999 HydrophobicContact CE2-CG 4.16Å; F983-L999 HydrophobicContact CZ-CD1 4.46Å; F983-L999 HydrophobicContact CZ-CD2 3.91Å; F983-L999 HydrophobicContact CZ-CG 4.45Å; F983-K1000 CarbonylContact C-O 3.53Å; F983-K1000 WeakPolarHBondContact CA-O 3.45Å; F983-L1001 HydrophobicContact CB-CD1 4.26Å; F983-L1001 HydrophobicContact CD2-CD1 4.04Å
984	N	71.1	Confident	56	Low	41.75 Å²	41.75	84.3 Å²	84.3	22%	0.223	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.9	175	-58.8	-21.1	0	0	0	108.8	Q929 N931 I959 S960 Q982 L999 K1000	Q929-N984 HydrophobicContact CB-CB 4.35Å; Q929-N984 VanDerWaalsContact CD-ND2 3.26Å; Q929-N984 HydrophobicContact CG-CB 3.88Å; Q929-N984 VanDerWaalsContact CG-CG 3.47Å; Q929-N984 WeakPolarHBondContact CG-OD1 3.39Å; Q929-N984 PolarHBondContact NE2-ND2 2.96Å; Q929-N984 PolarHBondContact NE2-OD1 2.85Å; Q929-N984 PolarHBondContact OE1-ND2 3.44Å; N931-N984 PolarHBondContact OD1-OD1 3.12Å; I959-N984 WeakPolarHBondContact O-CA 3.41Å; S960-N984 WeakPolarHBondContact CB-OD1 3.39Å; Q982-N984 WeakPolarHBondContact CG-OD1 3.44Å; Q982-N984 PolarHBondContact NE2-ND2 3.08Å; Q982-N984 PolarHBondContact NE2-OD1 3.11Å; Q982-N984 VanDerWaalsContact NE2-OD1 3.15Å; N984-L999 CarbonylContact O-C 3.45Å; N984-L999 VanDerWaalsContact O-CA 3.25Å; N984-L999 WeakPolarHBondContact O-CA 3.46Å; N984-K1000 HydrophobicContact CB-CB 4.28Å; N984-K1000 PolarHBondContact N-O 3.08Å; N984-K1000 PolarHBondContact O-N 2.95Å
985	L	67.6	Low	57.7	Low	33.5 Å²	33.5	78.4 Å²	78.4	18%	0.175	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.7	174.1	172.4	67.2	0	0	0	108.5	V927 S958 I959 F983 I987 V997 D998 L999	V927-L985 WeakPolarHBondContact CG1-O 2.76Å; S958-L985 CarbonylContact C-O 3.55Å; S958-L985 VanDerWaalsContact CA-O 3.32Å; S958-L985 WeakPolarHBondContact CA-O 3.38Å; I959-L985 HydrophobicContact CB-CB 4.39Å; I959-L985 HydrophobicContact CD1-CD2 4.19Å; I959-L985 HydrophobicContact CG1-CD2 4.33Å; I959-L985 PolarHBondContact N-O 3.13Å; I959-L985 PolarHBondContact O-N 3.13Å; F983-L985 HydrophobicContact CE1-CB 3.77Å; F983-L985 HydrophobicContact CZ-CB 3.84Å; F983-L985 HydrophobicContact CZ-CD2 4.39Å; L985-I987 HydrophobicContact CD1-CD1 4.15Å; L985-I987 HydrophobicContact CD1-CG1 3.95Å; L985-I987 HydrophobicContact CD2-CD1 3.95Å; L985-I987 HydrophobicContact CD2-CG1 4.39Å; L985-I987 HydrophobicContact CG-CD1 4.11Å; L985-I987 HydrophobicContact CG-CG1 4Å; L985-V997 HydrophobicContact CD1-CG1 3.95Å; L985-D998 CarbonylContact C-O 3.55Å; L985-D998 WeakPolarHBondContact CA-O 3.24Å; L985-L999 HydrophobicContact CB-CD2 4.06Å; L985-L999 HydrophobicContact CD1-CB 4.17Å; L985-L999 HydrophobicContact CD1-CD1 4.16Å; L985-L999 HydrophobicContact CD1-CD2 3.46Å; L985-L999 VanDerWaalsContact CD1-CD2 3.46Å; L985-L999 HydrophobicContact CD1-CG 3.83Å; L985-L999 HydrophobicContact CG-CD2 4.29Å
986	K	68.7	Low	59.4	Low	113 Å²	113	75.1 Å²	75.1	49%	0.491	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.3	170.5	-72.6	-177.9	177.3	-173.7	0	109.1	V927 N957 V997 D998	V927-K986 HydrophobicContact CB-CG 4.27Å; V927-K986 HydrophobicContact CG1-CB 4.16Å; V927-K986 HydrophobicContact CG1-CG 3.36Å; V927-K986 HydrophobicContact CG2-CB 4.13Å; V927-K986 HydrophobicContact CG2-CG 3.94Å; N957-K986 WeakPolarHBondContact O-CA 3.36Å; K986-V997 CarbonylContact O-C 3.5Å; K986-V997 WeakPolarHBondContact O-CA 3.37Å; K986-D998 HydrophobicContact CB-CB 4.22Å; K986-D998 HydrophobicContact CD-CB 4.48Å; K986-D998 PolarHBondContact N-O 3.14Å; K986-D998 PolarHBondContact O-N 3.19Å
987	I	66	Low	60.9	Low	46.5 Å²	46.5	71.2 Å²	71.2	24%	0.238	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.8	177.6	-59.8	171.9	0	0	0	107.7	I925 T956 N957 L985 N989 L994 H996 V997	I925-I987 WeakPolarHBondContact CB-O 3.38Å; I925-I987 VanDerWaalsContact CG1-O 3.24Å; I925-I987 WeakPolarHBondContact CG1-O 3.29Å; I925-I987 WeakPolarHBondContact CG2-O 3.44Å; T956-I987 WeakPolarHBondContact CA-O 3.47Å; N957-I987 PolarHBondContact N-O 3.06Å; N957-I987 PolarHBondContact O-N 3.2Å; L985-I987 HydrophobicContact CD1-CD1 4.15Å; L985-I987 HydrophobicContact CD1-CG1 3.95Å; L985-I987 HydrophobicContact CD2-CD1 3.95Å; L985-I987 HydrophobicContact CD2-CG1 4.39Å; L985-I987 HydrophobicContact CG-CD1 4.11Å; L985-I987 HydrophobicContact CG-CG1 4Å; I987-N989 WeakPolarHBondContact CG2-OD1 3.42Å; I987-L994 HydrophobicContact CG2-CD1 4.04Å; I987-L994 HydrophobicContact CG2-CD2 3.63Å; I987-L994 HydrophobicContact CG2-CG 4.38Å; I987-H996 CarbonylContact C-O 3.51Å; I987-H996 WeakPolarHBondContact CA-O 3.35Å; I987-V997 HydrophobicContact CG1-CG1 4.31Å; I987-V997 HydrophobicContact CG1-CG2 4.44Å; I987-V997 HydrophobicContact CG2-CG2 4.32Å
988	N	68.3	Low	62.7	Low	54.75 Å²	54.75	64.7 Å²	64.7	29%	0.293	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.5	174.3	-142.7	3.2	0	0	0	110.1	I925 K955 T956 R995 H996	I925-N988 HydrophobicContact CD1-CB 4.34Å; I925-N988 WeakPolarHBondContact CD1-OD1 3.42Å; K955-N988 WeakPolarHBondContact O-CA 3.5Å; K955-N988 PolarHBondContact O-OD1 2.96Å; T956-N988 HydrophobicContact CG2-CB 4.21Å; T956-N988 VanDerWaalsContact CG2-OD1 3.28Å; T956-N988 WeakPolarHBondContact CG2-OD1 3.39Å; N988-R995 PolarHBondContact O-N 3.07Å; N988-H996 HydrophobicContact CB-CB 4.07Å; N988-H996 PolarHBondContact N-O 3.22Å; N988-H996 PolarHBondContact O-N 2.97Å; N988-H996 VanDerWaalsContact O-N 3.13Å
989	N	58.5	Low	64.1	Low	46.5 Å²	46.5	62.1 Å²	62.1	25%	0.249	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.6	175.7	-82.5	2.1	0	0	0	109.3	I925 N954 K955 I987 S993 L994	I925-N989 HydrophobicContact CD1-CB 4.44Å; I925-N989 HydrophobicContact CG1-CB 4.02Å; I925-N989 VanDerWaalsContact CG1-N 3.32Å; N954-N989 WeakPolarHBondContact CA-O 3.05Å; K955-N989 HydrophobicContact CB-CB 4.49Å; K955-N989 PolarHBondContact N-O 2.83Å; K955-N989 VanDerWaalsContact N-O 3.08Å; K955-N989 PolarHBondContact O-N 3.17Å; I987-N989 WeakPolarHBondContact CG2-OD1 3.42Å; N989-S993 WeakPolarHBondContact CA-O 3.36Å; N989-S993 PolarHBondContact OD1-O 2.99Å; N989-S993 VanDerWaalsContact OD1-O 3.1Å; N989-L994 WeakPolarHBondContact OD1-CA 3.31Å; N989-L994 WeakPolarHBondContact OD1-CG 3.32Å; N989-L994 PolarHBondContact OD1-N 3.49Å
990	Q	57.7	Low	65.2	Low	75.5 Å²	75.5	64.1 Å²	64.1	35%	0.353	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.3	174	-137.9	175.6	0.3	0	0	108.3	N954 D992 S993 R995	N954-Q990 WeakPolarHBondContact OD1-CB 3.4Å; N954-Q990 VanDerWaalsContact OD1-CD 3.3Å; N954-Q990 WeakPolarHBondContact OD1-CG 3.24Å; N954-Q990 PolarHBondContact OD1-NE2 3.43Å; Q990-D992 VanDerWaalsContact C-N 3.3Å; Q990-D992 PolarHBondContact O-N 3.4Å; Q990-S993 PolarHBondContact N-O 3.2Å; Q990-S993 VanDerWaalsContact N-O 3.13Å; Q990-S993 PolarHBondContact O-N 3.06Å; Q990-S993 VanDerWaalsContact O-N 3.11Å; Q990-S993 VanDerWaalsContact O-O 3.14Å; Q990-S993 PolarHBondContact O-OG 2.94Å; Q990-R995 HydrophobicContact CB-CG 3.96Å; Q990-R995 VanDerWaalsContact OE1-CD 3.3Å
991	N	56.7	Low	65.9	Low	122.25 Å²	122.25	64.4 Å²	64.4	65%	0.654	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	48.3	-176.1	-63.2	-16.9	0	0	0	113.3	N953 S993	N953-N991 PolarHBondContact O-N 2.96Å; N991-S993 PolarHBondContact O-N 3.18Å
992	D	54.5	Low	66.2	Low	154.75 Å²	154.75	63.4 Å²	63.4	83%	0.828	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	7.6	-177.5	-65.6	-32.8	0	0	0	116.2	Q990	Q990-D992 VanDerWaalsContact C-N 3.3Å; Q990-D992 PolarHBondContact O-N 3.4Å
993	S	56.9	Low	66.1	Low	50.75 Å²	50.75	62.5 Å²	62.5	36%	0.355	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.1	172	69.1	0	0	0	0	111.4	N989 Q990 N991 R995	N989-S993 WeakPolarHBondContact CA-O 3.36Å; N989-S993 PolarHBondContact OD1-O 2.99Å; N989-S993 VanDerWaalsContact OD1-O 3.1Å; Q990-S993 PolarHBondContact N-O 3.2Å; Q990-S993 VanDerWaalsContact N-O 3.13Å; Q990-S993 PolarHBondContact O-N 3.06Å; Q990-S993 VanDerWaalsContact O-N 3.11Å; Q990-S993 VanDerWaalsContact O-O 3.14Å; Q990-S993 PolarHBondContact O-OG 2.94Å; N991-S993 PolarHBondContact O-N 3.18Å; S993-R995 PolarHBondContact O-N 3.25Å; S993-R995 PolarHBondContact OG-NE 2.81Å
994	L	56.4	Low	65.5	Low	82.75 Å²	82.75	63.8 Å²	63.8	43%	0.433	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	112.6	177.3	-126.8	151.3	0	0	0	108.4	I987 N989 V997 I1015	I987-L994 HydrophobicContact CG2-CD1 4.04Å; I987-L994 HydrophobicContact CG2-CD2 3.63Å; I987-L994 HydrophobicContact CG2-CG 4.38Å; N989-L994 WeakPolarHBondContact OD1-CA 3.31Å; N989-L994 WeakPolarHBondContact OD1-CG 3.32Å; N989-L994 PolarHBondContact OD1-N 3.49Å; L994-V997 HydrophobicContact CD1-CG2 4.08Å; L994-V997 HydrophobicContact CD2-CG2 3.6Å; L994-V997 VanDerWaalsContact CD2-CG2 3.43Å; L994-V997 HydrophobicContact CG-CG2 4.1Å; L994-I1015 HydrophobicContact CB-CD1 4.38Å; L994-I1015 HydrophobicContact CD2-CD1 3.68Å; L994-I1015 VanDerWaalsContact O-CB 3.29Å; L994-I1015 WeakPolarHBondContact O-CB 3.47Å; L994-I1015 WeakPolarHBondContact O-CD1 3.33Å
995	R	69.3	Low	64.7	Low	60 Å²	60	68.1 Å²	68.1	23%	0.226	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-34.9	-179.5	-70.1	-109.9	-176.6	160.5	1	113.3	N988 Q990 S993 D1014 I1015 E1017	N988-R995 PolarHBondContact O-N 3.07Å; Q990-R995 HydrophobicContact CB-CG 3.96Å; Q990-R995 VanDerWaalsContact OE1-CD 3.3Å; S993-R995 PolarHBondContact O-N 3.25Å; S993-R995 PolarHBondContact OG-NE 2.81Å; R995-D1014 CarbonylContact O-C 3.54Å; R995-D1014 WeakPolarHBondContact O-CA 3.42Å; R995-I1015 WeakPolarHBondContact CA-O 2.86Å; R995-I1015 WeakPolarHBondContact CD-O 3.39Å; R995-I1015 PolarHBondContact O-N 3.11Å; R995-I1015 VanDerWaalsContact O-N 3.17Å; R995-E1017 VanDerWaalsContact CZ-CG 3.45Å; R995-E1017 IonicContact CZ-OE1 3.03Å; R995-E1017 VanDerWaalsContact CZ-OE1 3.22Å; R995-E1017 IonicContact NH1-OE1 3.13Å; R995-E1017 PolarHBondContact NH1-OE1 3.15Å; R995-E1017 VanDerWaalsContact NH2-CD 3.28Å; R995-E1017 VanDerWaalsContact NH2-CG 3.27Å; R995-E1017 IonicContact NH2-OE1 2.98Å; R995-E1017 PolarHBondContact NH2-OE1 3.3Å
996	H	73.8	Confident	64.1	Low	55 Å²	55	74 Å²	74	26%	0.255	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	134.2	-174	-175.1	78.8	0	0	0	112.1	I987 N988 I1012 I1013 D1014	I987-H996 CarbonylContact C-O 3.51Å; I987-H996 WeakPolarHBondContact CA-O 3.35Å; N988-H996 HydrophobicContact CB-CB 4.07Å; N988-H996 PolarHBondContact N-O 3.22Å; N988-H996 PolarHBondContact O-N 2.97Å; N988-H996 VanDerWaalsContact O-N 3.13Å; H996-I1012 VanDerWaalsContact CE1-CG2 3.44Å; H996-I1012 WeakPolarHBondContact CE1-CG2 3.34Å; H996-I1013 CarbonylContact C-O 3.49Å; H996-I1013 VanDerWaalsContact CA-O 3.31Å; H996-I1013 WeakPolarHBondContact CA-O 3.26Å; H996-D1014 IonicContact CE1-OD1 3.03Å; H996-D1014 PolarHBondContact CE1-OD1 3.07Å; H996-D1014 IonicContact CG-OD1 3.03Å; H996-D1014 IonicContact ND1-OD1 3.36Å; H996-D1014 PolarHBondContact ND1-OD1 2.96Å
997	V	70.5	Confident	63.9	Low	22.75 Å²	22.75	70.9 Å²	70.9	14%	0.138	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.5	171.2	-179.6	0	0	0	0	109	L985 K986 I987 L994 L999 I1012 I1013	L985-V997 HydrophobicContact CD1-CG1 3.95Å; K986-V997 CarbonylContact O-C 3.5Å; K986-V997 WeakPolarHBondContact O-CA 3.37Å; I987-V997 HydrophobicContact CG1-CG1 4.31Å; I987-V997 HydrophobicContact CG1-CG2 4.44Å; I987-V997 HydrophobicContact CG2-CG2 4.32Å; L994-V997 HydrophobicContact CD1-CG2 4.08Å; L994-V997 HydrophobicContact CD2-CG2 3.6Å; L994-V997 VanDerWaalsContact CD2-CG2 3.43Å; L994-V997 HydrophobicContact CG-CG2 4.1Å; V997-L999 HydrophobicContact CG1-CD1 4.04Å; V997-L999 HydrophobicContact CG1-CG 4.1Å; V997-I1012 CarbonylContact O-C 3.47Å; V997-I1012 WeakPolarHBondContact O-CA 3.32Å; V997-I1013 HydrophobicContact CB-CB 4.28Å; V997-I1013 HydrophobicContact CB-CD1 4.43Å; V997-I1013 PolarHBondContact N-O 3.06Å; V997-I1013 VanDerWaalsContact N-O 3.11Å; V997-I1013 PolarHBondContact O-N 3.26Å; V997-I1013 VanDerWaalsContact O-N 3.13Å
998	D	78	Confident	64	Low	24.25 Å²	24.25	70.6 Å²	70.6	13%	0.13	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.9	173.5	177.2	12.9	0	0	0	109.5	L985 K986 K1000 H1010 L1011 I1012	L985-D998 CarbonylContact C-O 3.55Å; L985-D998 WeakPolarHBondContact CA-O 3.24Å; K986-D998 HydrophobicContact CB-CB 4.22Å; K986-D998 HydrophobicContact CD-CB 4.48Å; K986-D998 PolarHBondContact N-O 3.14Å; K986-D998 PolarHBondContact O-N 3.19Å; D998-K1000 WeakPolarHBondContact OD1-CE 3.42Å; D998-K1000 IonicContact OD1-NZ 3.13Å; D998-K1000 WeakPolarHBondContact OD2-CE 3.24Å; D998-K1000 IonicContact OD2-NZ 2.72Å; D998-K1000 PolarHBondContact OD2-NZ 3.22Å; D998-H1010 IonicContact OD1-CD2 3.1Å; D998-H1010 PolarHBondContact OD1-CD2 3.04Å; D998-H1010 VanDerWaalsContact OD1-CD2 3.3Å; D998-H1010 IonicContact OD1-CE1 3.38Å; D998-H1010 IonicContact OD1-NE2 3.55Å; D998-H1010 PolarHBondContact OD1-NE2 3.16Å; D998-H1010 IonicContact OD2-NE2 3.25Å; D998-L1011 CarbonylContact C-O 3.58Å; D998-I1012 HydrophobicContact CB-CG1 4.29Å
999	L	73.4	Confident	64.2	Low	47 Å²	47	72.3 Å²	72.3	25%	0.246	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.1	-177.3	-125.3	165.4	0	0	0	109.6	F983 N984 L985 V997 L1001 H1010 L1011	F983-L999 HydrophobicContact CD2-CD2 4.3Å; F983-L999 HydrophobicContact CE2-CD1 4.05Å; F983-L999 HydrophobicContact CE2-CD2 3.73Å; F983-L999 HydrophobicContact CE2-CG 4.16Å; F983-L999 HydrophobicContact CZ-CD1 4.46Å; F983-L999 HydrophobicContact CZ-CD2 3.91Å; F983-L999 HydrophobicContact CZ-CG 4.45Å; N984-L999 CarbonylContact O-C 3.45Å; N984-L999 VanDerWaalsContact O-CA 3.25Å; N984-L999 WeakPolarHBondContact O-CA 3.46Å; L985-L999 HydrophobicContact CB-CD2 4.06Å; L985-L999 HydrophobicContact CD1-CB 4.17Å; L985-L999 HydrophobicContact CD1-CD1 4.16Å; L985-L999 HydrophobicContact CD1-CD2 3.46Å; L985-L999 VanDerWaalsContact CD1-CD2 3.46Å; L985-L999 HydrophobicContact CD1-CG 3.83Å; L985-L999 HydrophobicContact CG-CD2 4.29Å; V997-L999 HydrophobicContact CG1-CD1 4.04Å; V997-L999 HydrophobicContact CG1-CG 4.1Å; L999-L1001 HydrophobicContact CD2-CB 4.33Å; L999-H1010 CarbonylContact O-C 3.45Å; L999-H1010 VanDerWaalsContact O-CA 3.3Å; L999-H1010 WeakPolarHBondContact O-CA 3.39Å; L999-H1010 PolarHBondContact O-CD2 3.39Å; L999-L1011 HydrophobicContact CB-CB 4.21Å; L999-L1011 WeakPolarHBondContact CB-O 3.3Å; L999-L1011 HydrophobicContact CD1-CD2 4.07Å; L999-L1011 PolarHBondContact N-O 3.05Å; L999-L1011 PolarHBondContact O-N 3.23Å
1000	K	74.3	Confident	65.3	Low	89.75 Å²	89.75	72.2 Å²	72.2	39%	0.39	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.4	176.7	-88.5	172.9	-174.5	163.3	0	110.7	F983 N984 D998 Y1009 H1010	F983-K1000 CarbonylContact C-O 3.53Å; F983-K1000 WeakPolarHBondContact CA-O 3.45Å; N984-K1000 HydrophobicContact CB-CB 4.28Å; N984-K1000 PolarHBondContact N-O 3.08Å; N984-K1000 PolarHBondContact O-N 2.95Å; D998-K1000 WeakPolarHBondContact OD1-CE 3.42Å; D998-K1000 IonicContact OD1-NZ 3.13Å; D998-K1000 WeakPolarHBondContact OD2-CE 3.24Å; D998-K1000 IonicContact OD2-NZ 2.72Å; D998-K1000 PolarHBondContact OD2-NZ 3.22Å; K1000-Y1009 CarbonylContact C-O 3.43Å; K1000-Y1009 WeakPolarHBondContact CA-O 3.27Å; K1000-H1010 HydrophobicContact CD-CB 4.49Å; K1000-H1010 VanDerWaalsContact CE-NE2 3.3Å; K1000-H1010 WeakPolarHBondContact CE-NE2 3.36Å; K1000-H1010 HydrophobicContact CG-CB 4.12Å; K1000-H1010 VanDerWaalsContact CG-CD2 3.45Å; K1000-H1010 WeakPolarHBondContact CG-CD2 3.4Å
1001	L	70	Confident	66.2	Low	45 Å²	45	71 Å²	71	24%	0.236	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.7	175.3	178.5	75.3	0	0	0	109.4	F981 Q982 F983 L999 V1003 S1008 Y1009	F981-L1001 HydrophobicContact CD2-CD1 4.47Å; F981-L1001 HydrophobicContact CE1-CD1 4.37Å; F981-L1001 HydrophobicContact CE2-CD1 3.67Å; F981-L1001 HydrophobicContact CE2-CG 4.46Å; F981-L1001 HydrophobicContact CZ-CD1 3.55Å; F981-L1001 VanDerWaalsContact CZ-CD1 3.49Å; Q982-L1001 CarbonylContact O-C 3.53Å; Q982-L1001 VanDerWaalsContact O-CA 3.25Å; Q982-L1001 WeakPolarHBondContact O-CA 3.34Å; F983-L1001 HydrophobicContact CB-CD1 4.26Å; F983-L1001 HydrophobicContact CD2-CD1 4.04Å; L999-L1001 HydrophobicContact CD2-CB 4.33Å; L1001-V1003 HydrophobicContact CD1-CG2 4.36Å; L1001-V1003 HydrophobicContact CD2-CG2 3.86Å; L1001-V1003 HydrophobicContact CG-CG2 3.9Å; L1001-S1008 CarbonylContact O-C 3.49Å; L1001-S1008 VanDerWaalsContact O-CA 3.29Å; L1001-S1008 WeakPolarHBondContact O-CA 3.24Å; L1001-Y1009 CarbonylContact C-O 3.49Å; L1001-Y1009 WeakPolarHBondContact CA-O 3.4Å; L1001-Y1009 HydrophobicContact CB-CD2 4.31Å; L1001-Y1009 HydrophobicContact CD2-CD2 4Å; L1001-Y1009 HydrophobicContact CG-CD2 4.26Å; L1001-Y1009 PolarHBondContact N-O 3.08Å; L1001-Y1009 WeakPolarHBondContact O-CA 3.36Å; L1001-Y1009 WeakPolarHBondContact O-CD2 3.41Å; L1001-Y1009 PolarHBondContact O-N 3.13Å; L1001-Y1009 VanDerWaalsContact O-O 3.13Å
1002	S	67.4	Low	67.4	Low	37.8 Å²	37.8	66.6 Å²	66.6	26%	0.264	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.7	168.6	49.2	0	0	0	0	109.9	N980 F981 Q982 D1007	N980-S1002 VanDerWaalsContact O-O 3.07Å; F981-S1002 CarbonylContact C-O 3.51Å; F981-S1002 VanDerWaalsContact CA-O 3.24Å; F981-S1002 WeakPolarHBondContact CA-O 3.32Å; Q982-S1002 WeakPolarHBondContact CB-OG 3.45Å; Q982-S1002 PolarHBondContact N-O 2.88Å; Q982-S1002 PolarHBondContact O-N 3.19Å; Q982-S1002 PolarHBondContact O-OG 3.15Å; Q982-S1002 PolarHBondContact OE1-OG 2.65Å; Q982-S1002 VanDerWaalsContact OE1-OG 3.11Å; S1002-D1007 CarbonylContact C-O 3.44Å; S1002-D1007 VanDerWaalsContact CA-O 3.28Å; S1002-D1007 WeakPolarHBondContact CA-O 3.17Å
1003	V	62.7	Low	68.5	Low	47.8 Å²	47.8	61.3 Å²	61.3	29%	0.29	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.3	-177.4	-173.2	0	0	0	0	109.2	F981 L1001 Q1005 K1006 D1007 Y1009	F981-V1003 HydrophobicContact CD2-CG1 4.43Å; F981-V1003 HydrophobicContact CD2-CG2 4.21Å; F981-V1003 HydrophobicContact CE2-CG2 4.17Å; L1001-V1003 HydrophobicContact CD1-CG2 4.36Å; L1001-V1003 HydrophobicContact CD2-CG2 3.86Å; L1001-V1003 HydrophobicContact CG-CG2 3.9Å; V1003-Q1005 VanDerWaalsContact C-N 3.31Å; V1003-Q1005 PolarHBondContact O-N 3.16Å; V1003-Q1005 VanDerWaalsContact O-N 3.11Å; V1003-K1006 PolarHBondContact O-N 3.27Å; V1003-K1006 VanDerWaalsContact O-N 3.1Å; V1003-D1007 CarbonylContact C-O 3.54Å; V1003-D1007 PolarHBondContact N-O 3Å; V1003-D1007 VanDerWaalsContact N-O 3.1Å; V1003-D1007 CarbonylContact O-C 3.55Å; V1003-D1007 PolarHBondContact O-N 3.22Å; V1003-Y1009 HydrophobicContact CG2-CD2 4.37Å; V1003-Y1009 HydrophobicContact CG2-CE2 4.22Å
1004	F	54.5	Low	69.5	Low	88.4 Å²	88.4	61.6 Å²	61.6	39%	0.388	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	0.6	70	168.4	-74	-65.5	0	0	0	114.4	I963 N979 N980 F981 K1006	I963-F1004 HydrophobicContact CB-CZ 4.31Å; I963-F1004 HydrophobicContact CG2-CZ 4.21Å; N979-F1004 HydrophobicContact CB-CD1 4.41Å; N979-F1004 HydrophobicContact CB-CD2 3.69Å; N979-F1004 HydrophobicContact CB-CE2 3.96Å; N979-F1004 HydrophobicContact CB-CG 3.99Å; N979-F1004 HydrophobicContact CB-CZ 4.31Å; N979-F1004 WeakPolarHBondContact O-CE1 3.32Å; N979-F1004 WeakPolarHBondContact OD1-CE1 3.46Å; N979-F1004 VanDerWaalsContact OD1-CE2 3.31Å; N979-F1004 WeakPolarHBondContact OD1-CE2 3.46Å; N979-F1004 WeakPolarHBondContact OD1-CZ 3.25Å; N980-F1004 PolarHBondContact O-N 2.87Å; F981-F1004 HydrophobicContact CB-CD1 4.5Å; F981-F1004 HydrophobicContact CB-CD2 4.19Å; F981-F1004 HydrophobicContact CB-CE1 4.09Å; F981-F1004 HydrophobicContact CB-CE2 3.86Å; F981-F1004 HydrophobicContact CB-CZ 3.6Å; F981-F1004 HydrophobicContact CD2-CE2 4.38Å; F981-F1004 HydrophobicContact CG-CE2 4.42Å; F1004-K1006 VanDerWaalsContact C-N 3.33Å; F1004-K1006 PolarHBondContact O-N 3.2Å; F1004-K1006 VanDerWaalsContact O-N 3.16Å
1005	Q	53.5	Low	70.2	Confident	133 Å²	133	59.8 Å²	59.8	62%	0.621	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	28	177.6	-63.4	171.1	-20.3	0	0	117.5	Q977 N978 V1003 D1007	Q977-Q1005 HydrophobicContact CB-CB 3.82Å; Q977-Q1005 HydrophobicContact CB-CG 3.28Å; Q977-Q1005 HydrophobicContact CG-CG 4.15Å; Q977-Q1005 PolarHBondContact O-OE1 3.32Å; N978-Q1005 VanDerWaalsContact C-NE2 3.3Å; N978-Q1005 VanDerWaalsContact C-OE1 3.23Å; N978-Q1005 VanDerWaalsContact N-CD 3.34Å; N978-Q1005 PolarHBondContact O-NE2 3.11Å; N978-Q1005 PolarHBondContact O-OE1 3.02Å; N978-Q1005 VanDerWaalsContact O-OE1 3.04Å; N978-Q1005 PolarHBondContact OD1-NE2 3.13Å; V1003-Q1005 VanDerWaalsContact C-N 3.31Å; V1003-Q1005 PolarHBondContact O-N 3.16Å; V1003-Q1005 VanDerWaalsContact O-N 3.11Å; Q1005-D1007 PolarHBondContact O-N 3.41Å
1006	K	54.2	Low	70.3	Confident	157.2 Å²	157.2	59.9 Å²	59.9	68%	0.683	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	-27.3	172.6	-75.2	-177	177.4	-173.7	0	115.4	V1003 F1004 S1008 F1027 N1028	V1003-K1006 PolarHBondContact O-N 3.27Å; V1003-K1006 VanDerWaalsContact O-N 3.1Å; F1004-K1006 VanDerWaalsContact C-N 3.33Å; F1004-K1006 PolarHBondContact O-N 3.2Å; F1004-K1006 VanDerWaalsContact O-N 3.16Å; K1006-S1008 PolarHBondContact O-N 3.32Å; K1006-F1027 WeakPolarHBondContact O-CE1 3.38Å; K1006-F1027 WeakPolarHBondContact O-CZ 3.19Å; K1006-N1028 PolarHBondContact O-ND2 3Å; K1006-N1028 PolarHBondContact O-OD1 3.15Å
1007	D	64.5	Low	69.7	Low	47.4 Å²	47.4	64 Å²	64	25%	0.253	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.1	-167	-60.2	-23.7	0	0	0	110.9	S1002 V1003 Q1005 Y1009 F1027 N1028 Q1519	S1002-D1007 CarbonylContact C-O 3.44Å; S1002-D1007 VanDerWaalsContact CA-O 3.28Å; S1002-D1007 WeakPolarHBondContact CA-O 3.17Å; V1003-D1007 CarbonylContact C-O 3.54Å; V1003-D1007 PolarHBondContact N-O 3Å; V1003-D1007 VanDerWaalsContact N-O 3.1Å; V1003-D1007 CarbonylContact O-C 3.55Å; V1003-D1007 PolarHBondContact O-N 3.22Å; Q1005-D1007 PolarHBondContact O-N 3.41Å; D1007-Y1009 HydrophobicContact CB-CD2 4.27Å; D1007-Y1009 HydrophobicContact CB-CE2 3.74Å; D1007-Y1009 VanDerWaalsContact CB-CE2 3.47Å; D1007-Y1009 PolarHBondContact OD2-OH 3.3Å; D1007-F1027 HydrophobicContact CB-CD2 4.16Å; D1007-F1027 HydrophobicContact CB-CE2 3.74Å; D1007-F1027 HydrophobicContact CB-CZ 4.07Å; D1007-F1027 VanDerWaalsContact CG-CE2 3.44Å; D1007-F1027 VanDerWaalsContact OD1-CE2 3.31Å; D1007-F1027 WeakPolarHBondContact OD1-CE2 3.09Å; D1007-F1027 VanDerWaalsContact OD1-CZ 3.26Å; D1007-F1027 WeakPolarHBondContact OD1-CZ 3.21Å; D1007-F1027 VanDerWaalsContact OD2-CE2 3.25Å; D1007-F1027 WeakPolarHBondContact OD2-CE2 3.08Å; D1007-N1028 WeakPolarHBondContact CA-OD1 3.44Å; D1007-N1028 PolarHBondContact N-OD1 3.31Å; D1007-N1028 PolarHBondContact OD1-ND2 2.84Å; D1007-Q1519 HydrophobicContact CB-CB 4.16Å; D1007-Q1519 VanDerWaalsContact CG-NE2 3.3Å; D1007-Q1519 VanDerWaalsContact CG-OE1 3.25Å; D1007-Q1519 PolarHBondContact OD1-NE2 2.87Å; D1007-Q1519 PolarHBondContact OD1-OE1 3.08Å; D1007-Q1519 VanDerWaalsContact OD1-OE1 3.11Å
1008	S	69.2	Low	69.4	Low	40 Å²	40	69.4 Å²	69.4	28%	0.28	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.3	173.7	54.7	0	0	0	0	110.5	L1001 K1006 F1027 N1028	L1001-S1008 CarbonylContact O-C 3.49Å; L1001-S1008 VanDerWaalsContact O-CA 3.29Å; L1001-S1008 WeakPolarHBondContact O-CA 3.24Å; K1006-S1008 PolarHBondContact O-N 3.32Å; S1008-F1027 CarbonylContact O-C 3.52Å; S1008-F1027 VanDerWaalsContact O-CA 3.3Å; S1008-F1027 WeakPolarHBondContact O-CA 3.37Å; S1008-N1028 PolarHBondContact N-OD1 2.98Å; S1008-N1028 PolarHBondContact O-N 3.27Å; S1008-N1028 WeakPolarHBondContact OG-CA 3.23Å; S1008-N1028 PolarHBondContact OG-N 2.93Å; S1008-N1028 VanDerWaalsContact OG-N 3.13Å; S1008-N1028 PolarHBondContact OG-OD1 2.94Å
1009	Y	72.9	Confident	68.6	Low	90.8 Å²	90.8	73.4 Å²	73.4	36%	0.356	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.8	173.6	-56.8	-91.4	0	0	0	108.7	K1000 L1001 V1003 D1007 Y1026 F1027 I1032 I1518 S1520	K1000-Y1009 CarbonylContact C-O 3.43Å; K1000-Y1009 WeakPolarHBondContact CA-O 3.27Å; L1001-Y1009 CarbonylContact C-O 3.49Å; L1001-Y1009 WeakPolarHBondContact CA-O 3.4Å; L1001-Y1009 HydrophobicContact CB-CD2 4.31Å; L1001-Y1009 HydrophobicContact CD2-CD2 4Å; L1001-Y1009 HydrophobicContact CG-CD2 4.26Å; L1001-Y1009 PolarHBondContact N-O 3.08Å; L1001-Y1009 WeakPolarHBondContact O-CA 3.36Å; L1001-Y1009 WeakPolarHBondContact O-CD2 3.41Å; L1001-Y1009 PolarHBondContact O-N 3.13Å; L1001-Y1009 VanDerWaalsContact O-O 3.13Å; V1003-Y1009 HydrophobicContact CG2-CD2 4.37Å; V1003-Y1009 HydrophobicContact CG2-CE2 4.22Å; D1007-Y1009 HydrophobicContact CB-CD2 4.27Å; D1007-Y1009 HydrophobicContact CB-CE2 3.74Å; D1007-Y1009 VanDerWaalsContact CB-CE2 3.47Å; D1007-Y1009 PolarHBondContact OD2-OH 3.3Å; Y1009-Y1026 CarbonylContact C-O 3.54Å; Y1009-Y1026 WeakPolarHBondContact CA-O 3.38Å; Y1009-F1027 AromaticContact CD1-CD2 3.75Å; Y1009-F1027 HydrophobicContact CD1-CD2 3.8Å; Y1009-F1027 HydrophobicContact CD1-CE2 4.31Å; Y1009-F1027 AromaticContact CE1-CD2 3.42Å; Y1009-F1027 HydrophobicContact CE1-CD2 3.42Å; Y1009-F1027 VanDerWaalsContact CE1-CD2 3.43Å; Y1009-F1027 AromaticContact CE1-CE2 3.71Å; Y1009-F1027 HydrophobicContact CE1-CE2 3.71Å; Y1009-F1027 VanDerWaalsContact CE1-CE2 3.5Å; Y1009-F1027 HydrophobicContact CE1-CG 4.33Å; Y1009-F1027 HydrophobicContact CE2-CD2 4.42Å; Y1009-F1027 HydrophobicContact CE2-CE2 4.36Å; Y1009-F1027 HydrophobicContact CG-CD2 4.41Å; Y1009-F1027 AromaticContact CZ-CD2 3.83Å; Y1009-F1027 AromaticContact CZ-CE2 3.69Å; Y1009-F1027 WeakPolarHBondContact OH-CE2 3.12Å; Y1009-I1032 HydrophobicContact CD1-CD1 4.32Å; Y1009-I1518 HydrophobicContact CE1-CG2 4.38Å; Y1009-S1520 WeakPolarHBondContact OH-CA 3.47Å; Y1009-S1520 VanDerWaalsContact OH-CB 3.31Å; Y1009-S1520 WeakPolarHBondContact OH-CB 3.47Å; Y1009-S1520 PolarHBondContact OH-N 3.45Å
1010	H	80	Confident	68.4	Low	43.6 Å²	43.6	75.1 Å²	75.1	20%	0.202	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	110.5	178.8	176.5	-148.1	0	0	0	108.9	D998 L999 K1000 I1012 G1025 Y1026	D998-H1010 IonicContact OD1-CD2 3.1Å; D998-H1010 PolarHBondContact OD1-CD2 3.04Å; D998-H1010 VanDerWaalsContact OD1-CD2 3.3Å; D998-H1010 IonicContact OD1-CE1 3.38Å; D998-H1010 IonicContact OD1-NE2 3.55Å; D998-H1010 PolarHBondContact OD1-NE2 3.16Å; D998-H1010 IonicContact OD2-NE2 3.25Å; L999-H1010 CarbonylContact O-C 3.45Å; L999-H1010 VanDerWaalsContact O-CA 3.3Å; L999-H1010 WeakPolarHBondContact O-CA 3.39Å; L999-H1010 PolarHBondContact O-CD2 3.39Å; K1000-H1010 HydrophobicContact CD-CB 4.49Å; K1000-H1010 VanDerWaalsContact CE-NE2 3.3Å; K1000-H1010 WeakPolarHBondContact CE-NE2 3.36Å; K1000-H1010 HydrophobicContact CG-CB 4.12Å; K1000-H1010 VanDerWaalsContact CG-CD2 3.45Å; K1000-H1010 WeakPolarHBondContact CG-CD2 3.4Å; H1010-I1012 VanDerWaalsContact NE2-CG1 3.32Å; H1010-I1012 WeakPolarHBondContact NE2-CG1 3.31Å; H1010-G1025 CarbonylContact O-C 3.51Å; H1010-G1025 WeakPolarHBondContact O-CA 3.47Å; H1010-Y1026 HydrophobicContact CB-CD2 4.31Å; H1010-Y1026 HydrophobicContact CB-CG 4.37Å; H1010-Y1026 AromaticContact CE1-CD2 3.95Å; H1010-Y1026 AromaticContact CG-CD2 3.9Å; H1010-Y1026 PolarHBondContact N-O 3.04Å; H1010-Y1026 AromaticContact ND1-CD2 3.71Å; H1010-Y1026 VanDerWaalsContact ND1-CD2 3.33Å; H1010-Y1026 WeakPolarHBondContact ND1-CD2 3.46Å; H1010-Y1026 AromaticContact ND1-CE2 3.77Å; H1010-Y1026 AromaticContact ND1-CG 3.82Å; H1010-Y1026 WeakPolarHBondContact O-CA 3.4Å; H1010-Y1026 WeakPolarHBondContact O-CB 3.33Å; H1010-Y1026 WeakPolarHBondContact O-CD2 3.15Å; H1010-Y1026 PolarHBondContact O-N 3.07Å
1011	L	78	Confident	68.2	Low	51 Å²	51	74.5 Å²	74.5	27%	0.267	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.2	-179.9	179.8	70.9	0	0	0	108.9	D998 L999 I1013 A1023 I1024 F1033	D998-L1011 CarbonylContact C-O 3.58Å; L999-L1011 HydrophobicContact CB-CB 4.21Å; L999-L1011 WeakPolarHBondContact CB-O 3.3Å; L999-L1011 HydrophobicContact CD1-CD2 4.07Å; L999-L1011 PolarHBondContact N-O 3.05Å; L999-L1011 PolarHBondContact O-N 3.23Å; L1011-I1013 HydrophobicContact CD1-CG1 4.26Å; L1011-I1013 HydrophobicContact CD2-CD1 4.05Å; L1011-I1013 HydrophobicContact CD2-CG1 4.29Å; L1011-I1013 HydrophobicContact CG-CD1 4.41Å; L1011-I1013 HydrophobicContact CG-CG1 4.11Å; L1011-A1023 HydrophobicContact CD1-CB 4.23Å; L1011-I1024 CarbonylContact C-O 3.41Å; L1011-I1024 VanDerWaalsContact CA-O 3.28Å; L1011-I1024 WeakPolarHBondContact CA-O 3.4Å; L1011-F1033 HydrophobicContact CD1-CE2 4.05Å; L1011-F1033 HydrophobicContact CD1-CZ 3.87Å
1012	I	81.2	Confident	68.5	Low	30.4 Å²	30.4	75.7 Å²	75.7	16%	0.156	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.9	172.3	-55	178.2	0	0	0	108	H996 V997 D998 H1010 D1014 A1023 I1024 Y1026	H996-I1012 VanDerWaalsContact CE1-CG2 3.44Å; H996-I1012 WeakPolarHBondContact CE1-CG2 3.34Å; V997-I1012 CarbonylContact O-C 3.47Å; V997-I1012 WeakPolarHBondContact O-CA 3.32Å; D998-I1012 HydrophobicContact CB-CG1 4.29Å; H1010-I1012 VanDerWaalsContact NE2-CG1 3.32Å; H1010-I1012 WeakPolarHBondContact NE2-CG1 3.31Å; I1012-D1014 WeakPolarHBondContact CG2-OD1 3.41Å; I1012-A1023 CarbonylContact O-C 3.57Å; I1012-A1023 VanDerWaalsContact O-C 3.3Å; I1012-A1023 WeakPolarHBondContact O-CA 3.35Å; I1012-A1023 WeakPolarHBondContact O-CB 3.49Å; I1012-I1024 HydrophobicContact CB-CB 4.46Å; I1012-I1024 PolarHBondContact N-O 2.96Å; I1012-I1024 PolarHBondContact O-N 3.04Å; I1012-Y1026 HydrophobicContact CD1-CD2 4.41Å; I1012-Y1026 HydrophobicContact CD1-CE2 3.93Å; I1012-Y1026 HydrophobicContact CG1-CD2 4.36Å; I1012-Y1026 HydrophobicContact CG1-CE2 4.36Å
1013	I	77.4	Confident	69	Low	41.6 Å²	41.6	74.5 Å²	74.5	21%	0.213	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115.5	173.4	-50.8	176.5	0	0	0	107.7	H996 V997 L1011 I1015 I1021 Q1022 A1023	H996-I1013 CarbonylContact C-O 3.49Å; H996-I1013 VanDerWaalsContact CA-O 3.31Å; H996-I1013 WeakPolarHBondContact CA-O 3.26Å; V997-I1013 HydrophobicContact CB-CB 4.28Å; V997-I1013 HydrophobicContact CB-CD1 4.43Å; V997-I1013 PolarHBondContact N-O 3.06Å; V997-I1013 VanDerWaalsContact N-O 3.11Å; V997-I1013 PolarHBondContact O-N 3.26Å; V997-I1013 VanDerWaalsContact O-N 3.13Å; L1011-I1013 HydrophobicContact CD1-CG1 4.26Å; L1011-I1013 HydrophobicContact CD2-CD1 4.05Å; L1011-I1013 HydrophobicContact CD2-CG1 4.29Å; L1011-I1013 HydrophobicContact CG-CD1 4.41Å; L1011-I1013 HydrophobicContact CG-CG1 4.11Å; I1013-I1015 HydrophobicContact CG2-CG1 4.32Å; I1013-I1021 HydrophobicContact CG2-CG2 4.07Å; I1013-Q1022 CarbonylContact C-O 3.52Å; I1013-Q1022 VanDerWaalsContact CA-O 3.29Å; I1013-Q1022 WeakPolarHBondContact CA-O 3.48Å; I1013-A1023 HydrophobicContact CB-CB 4.31Å; I1013-A1023 HydrophobicContact CG1-CB 4.06Å; I1013-A1023 HydrophobicContact CG2-CB 4.19Å
1014	D	78.6	Confident	69.8	Low	58 Å²	58	73.1 Å²	73.1	31%	0.31	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.5	171.8	-61.6	-48.4	0	0	0	109.4	R995 H996 I1012 I1021 Q1022	R995-D1014 CarbonylContact O-C 3.54Å; R995-D1014 WeakPolarHBondContact O-CA 3.42Å; H996-D1014 IonicContact CE1-OD1 3.03Å; H996-D1014 PolarHBondContact CE1-OD1 3.07Å; H996-D1014 IonicContact CG-OD1 3.03Å; H996-D1014 IonicContact ND1-OD1 3.36Å; H996-D1014 PolarHBondContact ND1-OD1 2.96Å; I1012-D1014 WeakPolarHBondContact CG2-OD1 3.41Å; D1014-I1021 CarbonylContact O-C 3.52Å; D1014-I1021 WeakPolarHBondContact O-CA 3.33Å; D1014-Q1022 HydrophobicContact CB-CB 4.28Å; D1014-Q1022 PolarHBondContact N-O 2.96Å; D1014-Q1022 PolarHBondContact O-N 3.17Å; D1014-Q1022 PolarHBondContact OD2-NE2 2.79Å
1015	I	70.5	Confident	71	Confident	44 Å²	44	69.1 Å²	69.1	23%	0.226	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.3	175.8	-54.5	177.5	0	0	0	107.6	L994 R995 I1013 L1020 I1021	L994-I1015 HydrophobicContact CB-CD1 4.38Å; L994-I1015 HydrophobicContact CD2-CD1 3.68Å; L994-I1015 VanDerWaalsContact O-CB 3.29Å; L994-I1015 WeakPolarHBondContact O-CB 3.47Å; L994-I1015 WeakPolarHBondContact O-CD1 3.33Å; R995-I1015 WeakPolarHBondContact CA-O 2.86Å; R995-I1015 WeakPolarHBondContact CD-O 3.39Å; R995-I1015 PolarHBondContact O-N 3.11Å; R995-I1015 VanDerWaalsContact O-N 3.17Å; I1013-I1015 HydrophobicContact CG2-CG1 4.32Å; I1015-L1020 CarbonylContact C-O 3.5Å; I1015-L1020 VanDerWaalsContact CA-O 3.29Å; I1015-L1020 WeakPolarHBondContact CA-O 3.37Å; I1015-I1021 HydrophobicContact CD1-CD1 4.34Å; I1015-I1021 HydrophobicContact CD1-CG1 4.03Å; I1015-I1021 HydrophobicContact CD1-CG2 4.42Å; I1015-I1021 HydrophobicContact CG1-CB 4.45Å; I1015-I1021 HydrophobicContact CG1-CG1 4.29Å; I1015-I1021 HydrophobicContact CG1-CG2 4.31Å; I1015-I1021 HydrophobicContact CG2-CG1 4.21Å
1016	T	71.4	Confident	72.2	Confident	62.6 Å²	62.6	65.8 Å²	65.8	38%	0.384	33%	0.331	S	S	.	.			trans	-80.6	168.7	178.5	66.2	0	0	0	0	111.7	D1018 D1019 L1020	T1016-D1018 VanDerWaalsContact C-N 3.3Å; T1016-D1018 PolarHBondContact O-N 3.2Å; T1016-D1018 VanDerWaalsContact O-N 3.13Å; T1016-D1018 PolarHBondContact OG1-N 3Å; T1016-D1019 PolarHBondContact O-N 3.01Å; T1016-D1019 VanDerWaalsContact O-N 3.12Å; T1016-L1020 HydrophobicContact CG2-CB 4.25Å; T1016-L1020 PolarHBondContact N-O 3.04Å; T1016-L1020 VanDerWaalsContact N-O 3.08Å; T1016-L1020 VanDerWaalsContact OG1-CB 3.29Å; T1016-L1020 WeakPolarHBondContact OG1-CB 3.29Å; T1016-L1020 WeakPolarHBondContact OG1-CG 3.23Å; T1016-L1020 PolarHBondContact OG1-N 3.08Å; T1016-L1020 VanDerWaalsContact OG1-N 3.15Å; T1016-L1020 PolarHBondContact OG1-O 3.02Å
1017	E	62.1	Low	73	Confident	141 Å²	141	60.7 Å²	60.7	66%	0.659	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.4	175.2	-63.3	-165.6	159	0	0	113.5	R995 D1019	R995-E1017 VanDerWaalsContact CZ-CG 3.45Å; R995-E1017 IonicContact CZ-OE1 3.03Å; R995-E1017 VanDerWaalsContact CZ-OE1 3.22Å; R995-E1017 IonicContact NH1-OE1 3.13Å; R995-E1017 PolarHBondContact NH1-OE1 3.15Å; R995-E1017 VanDerWaalsContact NH2-CD 3.28Å; R995-E1017 VanDerWaalsContact NH2-CG 3.27Å; R995-E1017 IonicContact NH2-OE1 2.98Å; R995-E1017 PolarHBondContact NH2-OE1 3.3Å; E1017-D1019 VanDerWaalsContact C-N 3.31Å; E1017-D1019 PolarHBondContact O-N 3.16Å; E1017-D1019 VanDerWaalsContact O-N 3.12Å
1018	D	62.8	Low	73.3	Confident	136 Å²	136	61.1 Å²	61.1	73%	0.727	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	24.5	177	-55.2	-42.3	0	0	0	113.5	T1016 L1020	T1016-D1018 VanDerWaalsContact C-N 3.3Å; T1016-D1018 PolarHBondContact O-N 3.2Å; T1016-D1018 VanDerWaalsContact O-N 3.13Å; T1016-D1018 PolarHBondContact OG1-N 3Å; D1018-L1020 HydrophobicContact CB-CD1 4.49Å; D1018-L1020 HydrophobicContact CB-CG 4.28Å; D1018-L1020 PolarHBondContact O-N 3.17Å; D1018-L1020 VanDerWaalsContact O-N 3.08Å
1019	D	62.6	Low	73.4	Confident	109.4 Å²	109.4	67.5 Å²	67.5	59%	0.585	34%	0.336	S	S	*	.	S	Bend	trans	55.1	23.6	-178.3	-71.2	-37.2	0	0	0	115.4	T1016 E1017 I1021 S1038 L1039	T1016-D1019 PolarHBondContact O-N 3.01Å; T1016-D1019 VanDerWaalsContact O-N 3.12Å; E1017-D1019 VanDerWaalsContact C-N 3.31Å; E1017-D1019 PolarHBondContact O-N 3.16Å; E1017-D1019 VanDerWaalsContact O-N 3.12Å; D1019-I1021 PolarHBondContact O-N 3.11Å; D1019-S1038 CarbonylContact O-C 3.6Å; D1019-S1038 WeakPolarHBondContact O-CA 3.45Å; D1019-L1039 HydrophobicContact CB-CB 4.27Å; D1019-L1039 WeakPolarHBondContact CB-O 3.27Å; D1019-L1039 PolarHBondContact O-N 2.82Å
1020	L	67.7	Low	73.2	Confident	82.8 Å²	82.8	68.3 Å²	68.3	43%	0.434	34%	0.343	S	S	.	.			trans	-79.6	119.3	170.3	-60.3	164	0	0	0	109.9	I1015 T1016 D1018 Q1022 G1037	I1015-L1020 CarbonylContact C-O 3.5Å; I1015-L1020 VanDerWaalsContact CA-O 3.29Å; I1015-L1020 WeakPolarHBondContact CA-O 3.37Å; T1016-L1020 HydrophobicContact CG2-CB 4.25Å; T1016-L1020 PolarHBondContact N-O 3.04Å; T1016-L1020 VanDerWaalsContact N-O 3.08Å; T1016-L1020 VanDerWaalsContact OG1-CB 3.29Å; T1016-L1020 WeakPolarHBondContact OG1-CB 3.29Å; T1016-L1020 WeakPolarHBondContact OG1-CG 3.23Å; T1016-L1020 PolarHBondContact OG1-N 3.08Å; T1016-L1020 VanDerWaalsContact OG1-N 3.15Å; T1016-L1020 PolarHBondContact OG1-O 3.02Å; D1018-L1020 HydrophobicContact CB-CD1 4.49Å; D1018-L1020 HydrophobicContact CB-CG 4.28Å; D1018-L1020 PolarHBondContact O-N 3.17Å; D1018-L1020 VanDerWaalsContact O-N 3.08Å; L1020-Q1022 PolarHBondContact O-N 2.79Å; L1020-G1037 CarbonylContact C-O 3.49Å; L1020-G1037 VanDerWaalsContact CA-O 3.24Å; L1020-G1037 WeakPolarHBondContact CA-O 3.25Å
1021	I	70.8	Confident	72.7	Confident	76.8 Å²	76.8	71.6 Å²	71.6	39%	0.394	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.6	178.8	-55.5	173.5	0	0	0	108.9	I1013 D1014 I1015 D1019 N1036 G1037 L1039	I1013-I1021 HydrophobicContact CG2-CG2 4.07Å; D1014-I1021 CarbonylContact O-C 3.52Å; D1014-I1021 WeakPolarHBondContact O-CA 3.33Å; I1015-I1021 HydrophobicContact CD1-CD1 4.34Å; I1015-I1021 HydrophobicContact CD1-CG1 4.03Å; I1015-I1021 HydrophobicContact CD1-CG2 4.42Å; I1015-I1021 HydrophobicContact CG1-CB 4.45Å; I1015-I1021 HydrophobicContact CG1-CG1 4.29Å; I1015-I1021 HydrophobicContact CG1-CG2 4.31Å; I1015-I1021 HydrophobicContact CG2-CG1 4.21Å; D1019-I1021 PolarHBondContact O-N 3.11Å; I1021-N1036 CarbonylContact O-C 3.49Å; I1021-N1036 WeakPolarHBondContact O-CA 3.22Å; I1021-G1037 PolarHBondContact N-O 3.28Å; I1021-G1037 WeakPolarHBondContact O-CA 3.44Å; I1021-G1037 PolarHBondContact O-N 3.05Å; I1021-G1037 VanDerWaalsContact O-N 3.1Å; I1021-L1039 HydrophobicContact CD1-CB 4.38Å
1022	Q	77.3	Confident	72.3	Confident	69.2 Å²	69.2	72.1 Å²	72.1	32%	0.323	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.6	171.4	-157.4	178.2	-29.4	0	0	110.4	I1013 D1014 L1020 I1024 V1035 N1036	I1013-Q1022 CarbonylContact C-O 3.52Å; I1013-Q1022 VanDerWaalsContact CA-O 3.29Å; I1013-Q1022 WeakPolarHBondContact CA-O 3.48Å; D1014-Q1022 HydrophobicContact CB-CB 4.28Å; D1014-Q1022 PolarHBondContact N-O 2.96Å; D1014-Q1022 PolarHBondContact O-N 3.17Å; D1014-Q1022 PolarHBondContact OD2-NE2 2.79Å; L1020-Q1022 PolarHBondContact O-N 2.79Å; Q1022-I1024 HydrophobicContact CG-CG1 4.42Å; Q1022-V1035 CarbonylContact C-O 3.55Å; Q1022-V1035 VanDerWaalsContact CA-O 3.29Å; Q1022-V1035 WeakPolarHBondContact CA-O 3.37Å; Q1022-N1036 VanDerWaalsContact CG-OD1 3.3Å; Q1022-N1036 WeakPolarHBondContact CG-OD1 3.34Å; Q1022-N1036 PolarHBondContact NE2-OD1 2.77Å
1023	A	76.8	Confident	71.7	Confident	13.8 Å²	13.8	73.8 Å²	73.8	11%	0.114	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.9	173.7	0	0	0	0	0	111.9	L1011 I1012 I1013 K1034 V1035	L1011-A1023 HydrophobicContact CD1-CB 4.23Å; I1012-A1023 CarbonylContact O-C 3.57Å; I1012-A1023 VanDerWaalsContact O-C 3.3Å; I1012-A1023 WeakPolarHBondContact O-CA 3.35Å; I1012-A1023 WeakPolarHBondContact O-CB 3.49Å; I1013-A1023 HydrophobicContact CB-CB 4.31Å; I1013-A1023 HydrophobicContact CG1-CB 4.06Å; I1013-A1023 HydrophobicContact CG2-CB 4.19Å; A1023-K1034 CarbonylContact O-C 3.48Å; A1023-K1034 VanDerWaalsContact O-CA 3.26Å; A1023-K1034 WeakPolarHBondContact O-CA 3.33Å; A1023-V1035 HydrophobicContact CB-CB 4.22Å; A1023-V1035 HydrophobicContact CB-CG2 4.48Å; A1023-V1035 PolarHBondContact N-O 3.09Å; A1023-V1035 WeakPolarHBondContact O-CA 3.49Å; A1023-V1035 WeakPolarHBondContact O-CB 3.23Å; A1023-V1035 WeakPolarHBondContact O-CG2 3.49Å; A1023-V1035 PolarHBondContact O-N 2.88Å; A1023-V1035 VanDerWaalsContact O-O 3.13Å
1024	I	80.6	Confident	71.7	Confident	18.8 Å²	18.8	74.2 Å²	74.2	10%	0.096	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.1	176.9	-49.4	173.1	0	0	0	109.3	L1011 I1012 Q1022 Y1026 R1031 F1033 K1034	L1011-I1024 CarbonylContact C-O 3.41Å; L1011-I1024 VanDerWaalsContact CA-O 3.28Å; L1011-I1024 WeakPolarHBondContact CA-O 3.4Å; I1012-I1024 HydrophobicContact CB-CB 4.46Å; I1012-I1024 PolarHBondContact N-O 2.96Å; I1012-I1024 PolarHBondContact O-N 3.04Å; Q1022-I1024 HydrophobicContact CG-CG1 4.42Å; I1024-Y1026 HydrophobicContact CB-CD2 4.1Å; I1024-Y1026 HydrophobicContact CB-CE2 4.12Å; I1024-Y1026 HydrophobicContact CD1-CE2 4.3Å; I1024-Y1026 HydrophobicContact CG2-CD2 4.15Å; I1024-Y1026 HydrophobicContact CG2-CE1 4.32Å; I1024-Y1026 HydrophobicContact CG2-CE2 3.5Å; I1024-Y1026 VanDerWaalsContact CG2-CE2 3.5Å; I1024-Y1026 HydrophobicContact CG2-CG 4.38Å; I1024-Y1026 WeakPolarHBondContact O-CD2 3.36Å; I1024-Y1026 PolarHBondContact O-N 2.95Å; I1024-R1031 HydrophobicContact CG2-CB 4.31Å; I1024-R1031 HydrophobicContact CG2-CG 3.97Å; I1024-R1031 VanDerWaalsContact CG2-NE 3.3Å; I1024-F1033 CarbonylContact C-O 3.42Å; I1024-F1033 WeakPolarHBondContact CA-O 3.47Å; I1024-K1034 HydrophobicContact CG1-CB 4.43Å; I1024-K1034 HydrophobicContact CG1-CG 4.22Å
1025	G	79.9	Confident	71.5	Confident	3.4 Å²	3.4	72.9 Å²	72.9	4%	0.035	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.1	174	0	0	0	0	0	112	H1010 R1031 I1032 F1033	H1010-G1025 CarbonylContact O-C 3.51Å; H1010-G1025 WeakPolarHBondContact O-CA 3.47Å; G1025-R1031 CarbonylContact O-C 3.52Å; G1025-R1031 WeakPolarHBondContact O-CA 3.21Å; G1025-I1032 PolarHBondContact O-N 3.14Å; G1025-F1033 CarbonylContact C-O 3.43Å; G1025-F1033 PolarHBondContact N-O 3.02Å; G1025-F1033 PolarHBondContact O-N 2.82Å
1026	Y	77.3	Confident	71.9	Confident	64.4 Å²	64.4	72.8 Å²	72.8	25%	0.253	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.8	171	-55.4	-96.4	0	0	0	111.4	Y1009 H1010 I1012 I1024 Q1030 R1031	Y1009-Y1026 CarbonylContact C-O 3.54Å; Y1009-Y1026 WeakPolarHBondContact CA-O 3.38Å; H1010-Y1026 HydrophobicContact CB-CD2 4.31Å; H1010-Y1026 HydrophobicContact CB-CG 4.37Å; H1010-Y1026 AromaticContact CE1-CD2 3.95Å; H1010-Y1026 AromaticContact CG-CD2 3.9Å; H1010-Y1026 PolarHBondContact N-O 3.04Å; H1010-Y1026 AromaticContact ND1-CD2 3.71Å; H1010-Y1026 VanDerWaalsContact ND1-CD2 3.33Å; H1010-Y1026 WeakPolarHBondContact ND1-CD2 3.46Å; H1010-Y1026 AromaticContact ND1-CE2 3.77Å; H1010-Y1026 AromaticContact ND1-CG 3.82Å; H1010-Y1026 WeakPolarHBondContact O-CA 3.4Å; H1010-Y1026 WeakPolarHBondContact O-CB 3.33Å; H1010-Y1026 WeakPolarHBondContact O-CD2 3.15Å; H1010-Y1026 PolarHBondContact O-N 3.07Å; I1012-Y1026 HydrophobicContact CD1-CD2 4.41Å; I1012-Y1026 HydrophobicContact CD1-CE2 3.93Å; I1012-Y1026 HydrophobicContact CG1-CD2 4.36Å; I1012-Y1026 HydrophobicContact CG1-CE2 4.36Å; I1024-Y1026 HydrophobicContact CB-CD2 4.1Å; I1024-Y1026 HydrophobicContact CB-CE2 4.12Å; I1024-Y1026 HydrophobicContact CD1-CE2 4.3Å; I1024-Y1026 HydrophobicContact CG2-CD2 4.15Å; I1024-Y1026 HydrophobicContact CG2-CE1 4.32Å; I1024-Y1026 HydrophobicContact CG2-CE2 3.5Å; I1024-Y1026 VanDerWaalsContact CG2-CE2 3.5Å; I1024-Y1026 HydrophobicContact CG2-CG 4.38Å; I1024-Y1026 WeakPolarHBondContact O-CD2 3.36Å; I1024-Y1026 PolarHBondContact O-N 2.95Å; Y1026-Q1030 CarbonylContact C-O 3.42Å; Y1026-Q1030 VanDerWaalsContact CA-O 3.24Å; Y1026-Q1030 WeakPolarHBondContact CA-O 3.34Å; Y1026-Q1030 WeakPolarHBondContact CB-O 3.32Å; Y1026-Q1030 WeakPolarHBondContact CD1-O 3.32Å; Y1026-R1031 HydrophobicContact CD1-CB 4.14Å; Y1026-R1031 HydrophobicContact CD1-CG 4.29Å; Y1026-R1031 HydrophobicContact CE1-CB 4.11Å; Y1026-R1031 HydrophobicContact CE1-CG 4.32Å
1027	F	71.8	Confident	72.1	Confident	48.8 Å²	48.8	70.6 Å²	70.6	21%	0.214	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	121.6	171.7	173.4	-102.7	0	0	0	108.1	K1006 D1007 S1008 Y1009 Q1029 Q1030 I1032 F1492 D1494 I1518 Q1519	K1006-F1027 WeakPolarHBondContact O-CE1 3.38Å; K1006-F1027 WeakPolarHBondContact O-CZ 3.19Å; D1007-F1027 HydrophobicContact CB-CD2 4.16Å; D1007-F1027 HydrophobicContact CB-CE2 3.74Å; D1007-F1027 HydrophobicContact CB-CZ 4.07Å; D1007-F1027 VanDerWaalsContact CG-CE2 3.44Å; D1007-F1027 VanDerWaalsContact OD1-CE2 3.31Å; D1007-F1027 WeakPolarHBondContact OD1-CE2 3.09Å; D1007-F1027 VanDerWaalsContact OD1-CZ 3.26Å; D1007-F1027 WeakPolarHBondContact OD1-CZ 3.21Å; D1007-F1027 VanDerWaalsContact OD2-CE2 3.25Å; D1007-F1027 WeakPolarHBondContact OD2-CE2 3.08Å; S1008-F1027 CarbonylContact O-C 3.52Å; S1008-F1027 VanDerWaalsContact O-CA 3.3Å; S1008-F1027 WeakPolarHBondContact O-CA 3.37Å; Y1009-F1027 AromaticContact CD1-CD2 3.75Å; Y1009-F1027 HydrophobicContact CD1-CD2 3.8Å; Y1009-F1027 HydrophobicContact CD1-CE2 4.31Å; Y1009-F1027 AromaticContact CE1-CD2 3.42Å; Y1009-F1027 HydrophobicContact CE1-CD2 3.42Å; Y1009-F1027 VanDerWaalsContact CE1-CD2 3.43Å; Y1009-F1027 AromaticContact CE1-CE2 3.71Å; Y1009-F1027 HydrophobicContact CE1-CE2 3.71Å; Y1009-F1027 VanDerWaalsContact CE1-CE2 3.5Å; Y1009-F1027 HydrophobicContact CE1-CG 4.33Å; Y1009-F1027 HydrophobicContact CE2-CD2 4.42Å; Y1009-F1027 HydrophobicContact CE2-CE2 4.36Å; Y1009-F1027 HydrophobicContact CG-CD2 4.41Å; Y1009-F1027 AromaticContact CZ-CD2 3.83Å; Y1009-F1027 AromaticContact CZ-CE2 3.69Å; Y1009-F1027 WeakPolarHBondContact OH-CE2 3.12Å; F1027-Q1029 VanDerWaalsContact C-N 3.25Å; F1027-Q1029 PolarHBondContact O-N 3.05Å; F1027-Q1029 VanDerWaalsContact O-N 3.16Å; F1027-Q1030 PolarHBondContact N-O 3.11Å; F1027-Q1030 WeakPolarHBondContact O-CA 2.88Å; F1027-Q1030 WeakPolarHBondContact O-CB 3.24Å; F1027-Q1030 PolarHBondContact O-N 3.1Å; F1027-Q1030 VanDerWaalsContact O-O 3.04Å; F1027-I1032 HydrophobicContact CB-CD1 3.26Å; F1027-I1032 HydrophobicContact CB-CG1 3.6Å; F1027-I1032 HydrophobicContact CD1-CD1 4.2Å; F1027-I1032 HydrophobicContact CD2-CD1 4.23Å; F1027-I1032 HydrophobicContact CG-CD1 4.11Å; F1027-I1032 HydrophobicContact CG-CG1 4.27Å; F1027-I1032 VanDerWaalsContact N-CG1 3.31Å; F1027-F1492 HydrophobicContact CD1-CD1 4.33Å; F1027-F1492 WeakPolarHBondContact O-CE1 3.45Å; F1027-D1494 VanDerWaalsContact CE1-OD1 3.26Å; F1027-D1494 WeakPolarHBondContact CE1-OD1 3.05Å; F1027-D1494 WeakPolarHBondContact CE1-OD2 3.18Å; F1027-D1494 WeakPolarHBondContact CZ-OD1 3.24Å; F1027-I1518 HydrophobicContact CE2-CG2 4Å; F1027-I1518 HydrophobicContact CZ-CG2 4.29Å; F1027-Q1519 HydrophobicContact CE1-CG 4.42Å; F1027-Q1519 HydrophobicContact CE2-CB 3.83Å; F1027-Q1519 HydrophobicContact CE2-CG 4.27Å; F1027-Q1519 HydrophobicContact CZ-CB 3.62Å; F1027-Q1519 HydrophobicContact CZ-CG 3.55Å
1028	N	71.4	Confident	72.8	Confident	56.6 Å²	56.6	65.9 Å²	65.9	30%	0.303	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	41.4	-176.1	-69.7	-17.1	0	0	0	113.1	K1006 D1007 S1008 Q1030 F1492 Q1519	K1006-N1028 PolarHBondContact O-ND2 3Å; K1006-N1028 PolarHBondContact O-OD1 3.15Å; D1007-N1028 WeakPolarHBondContact CA-OD1 3.44Å; D1007-N1028 PolarHBondContact N-OD1 3.31Å; D1007-N1028 PolarHBondContact OD1-ND2 2.84Å; S1008-N1028 PolarHBondContact N-OD1 2.98Å; S1008-N1028 PolarHBondContact O-N 3.27Å; S1008-N1028 WeakPolarHBondContact OG-CA 3.23Å; S1008-N1028 PolarHBondContact OG-N 2.93Å; S1008-N1028 VanDerWaalsContact OG-N 3.13Å; S1008-N1028 PolarHBondContact OG-OD1 2.94Å; N1028-Q1030 PolarHBondContact O-N 3.14Å; N1028-Q1030 VanDerWaalsContact O-N 3.16Å; N1028-F1492 HydrophobicContact CB-CD1 3.81Å; N1028-F1492 HydrophobicContact CB-CE1 3.76Å; N1028-F1492 WeakPolarHBondContact O-CE1 3.18Å; N1028-Q1519 PolarHBondContact ND2-OE1 3.23Å
1029	Q	70	Confident	72.9	Confident	173.8 Å²	173.8	64 Å²	64	81%	0.812	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	-0.4	-176.4	-50.8	173.9	-11.1	0	0	115.8	F1027	F1027-Q1029 VanDerWaalsContact C-N 3.25Å; F1027-Q1029 PolarHBondContact O-N 3.05Å; F1027-Q1029 VanDerWaalsContact O-N 3.16Å
1030	Q	69.5	Low	73.3	Confident	108 Å²	108	62.9 Å²	62.9	51%	0.505	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	136.3	170.1	-70.3	172.5	8.1	0	0	110.2	Y1026 F1027 N1028 I1032 Q1491 F1492	Y1026-Q1030 CarbonylContact C-O 3.42Å; Y1026-Q1030 VanDerWaalsContact CA-O 3.24Å; Y1026-Q1030 WeakPolarHBondContact CA-O 3.34Å; Y1026-Q1030 WeakPolarHBondContact CB-O 3.32Å; Y1026-Q1030 WeakPolarHBondContact CD1-O 3.32Å; F1027-Q1030 PolarHBondContact N-O 3.11Å; F1027-Q1030 WeakPolarHBondContact O-CA 2.88Å; F1027-Q1030 WeakPolarHBondContact O-CB 3.24Å; F1027-Q1030 PolarHBondContact O-N 3.1Å; F1027-Q1030 VanDerWaalsContact O-O 3.04Å; N1028-Q1030 PolarHBondContact O-N 3.14Å; N1028-Q1030 VanDerWaalsContact O-N 3.16Å; Q1030-I1032 PolarHBondContact O-N 3.24Å; Q1030-I1032 VanDerWaalsContact O-N 3.11Å; Q1030-Q1491 PolarHBondContact NE2-O 2.8Å; Q1030-F1492 VanDerWaalsContact CA-CZ 3.49Å; Q1030-F1492 HydrophobicContact CB-CD1 3.92Å; Q1030-F1492 HydrophobicContact CB-CE1 3.1Å; Q1030-F1492 HydrophobicContact CB-CE2 4.15Å; Q1030-F1492 HydrophobicContact CB-CZ 3.28Å; Q1030-F1492 HydrophobicContact CG-CD1 3.65Å; Q1030-F1492 HydrophobicContact CG-CD2 3.46Å; Q1030-F1492 VanDerWaalsContact CG-CD2 3.46Å; Q1030-F1492 HydrophobicContact CG-CE1 2.99Å; Q1030-F1492 HydrophobicContact CG-CE2 2.77Å; Q1030-F1492 HydrophobicContact CG-CG 3.89Å; Q1030-F1492 HydrophobicContact CG-CZ 2.52Å; Q1030-F1492 VanDerWaalsContact N-CZ 3.33Å; Q1030-F1492 VanDerWaalsContact OE1-CE2 3.3Å
1031	R	69.2	Low	73	Confident	113.8 Å²	113.8	64 Å²	64	43%	0.429	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	118.7	172.6	-173.2	-178.8	-155.1	171.4	3.6	109.4	I1024 G1025 Y1026 K1034 P1055	I1024-R1031 HydrophobicContact CG2-CB 4.31Å; I1024-R1031 HydrophobicContact CG2-CG 3.97Å; I1024-R1031 VanDerWaalsContact CG2-NE 3.3Å; G1025-R1031 CarbonylContact O-C 3.52Å; G1025-R1031 WeakPolarHBondContact O-CA 3.21Å; Y1026-R1031 HydrophobicContact CD1-CB 4.14Å; Y1026-R1031 HydrophobicContact CD1-CG 4.29Å; Y1026-R1031 HydrophobicContact CE1-CB 4.11Å; Y1026-R1031 HydrophobicContact CE1-CG 4.32Å; R1031-K1034 VanDerWaalsContact NH2-CE 3.28Å; R1031-P1055 WeakPolarHBondContact O-CD 3.47Å; R1031-P1055 WeakPolarHBondContact O-CG 3.17Å
1032	I	68.5	Low	72.5	Confident	61.4 Å²	61.4	67.1 Å²	67.1	32%	0.315	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-43.8	174.1	-54.4	169.8	0	0	0	110.2	Y1009 G1025 F1027 Q1030 N1054 P1055	Y1009-I1032 HydrophobicContact CD1-CD1 4.32Å; G1025-I1032 PolarHBondContact O-N 3.14Å; F1027-I1032 HydrophobicContact CB-CD1 3.26Å; F1027-I1032 HydrophobicContact CB-CG1 3.6Å; F1027-I1032 HydrophobicContact CD1-CD1 4.2Å; F1027-I1032 HydrophobicContact CD2-CD1 4.23Å; F1027-I1032 HydrophobicContact CG-CD1 4.11Å; F1027-I1032 HydrophobicContact CG-CG1 4.27Å; F1027-I1032 VanDerWaalsContact N-CG1 3.31Å; Q1030-I1032 PolarHBondContact O-N 3.24Å; Q1030-I1032 VanDerWaalsContact O-N 3.11Å; I1032-N1054 WeakPolarHBondContact O-CA 3.38Å; I1032-N1054 WeakPolarHBondContact O-CB 3.18Å; I1032-N1054 PolarHBondContact O-ND2 2.92Å; I1032-P1055 VanDerWaalsContact O-CD 3.23Å; I1032-P1055 WeakPolarHBondContact O-CD 3.4Å
1033	F	70	Confident	71.9	Confident	64.8 Å²	64.8	67.1 Å²	67.1	28%	0.284	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	150.8	-175.7	61.4	-96.3	0	0	0	111.9	L1011 I1024 G1025 V1035 L1052 Y1053	L1011-F1033 HydrophobicContact CD1-CE2 4.05Å; L1011-F1033 HydrophobicContact CD1-CZ 3.87Å; I1024-F1033 CarbonylContact C-O 3.42Å; I1024-F1033 WeakPolarHBondContact CA-O 3.47Å; G1025-F1033 CarbonylContact C-O 3.43Å; G1025-F1033 PolarHBondContact N-O 3.02Å; G1025-F1033 PolarHBondContact O-N 2.82Å; F1033-V1035 HydrophobicContact CD2-CG2 3.86Å; F1033-V1035 HydrophobicContact CE2-CG2 4.29Å; F1033-V1035 HydrophobicContact CG-CG2 4.48Å; F1033-L1052 HydrophobicContact CB-CD2 3.99Å; F1033-L1052 HydrophobicContact CB-CG 4.47Å; F1033-L1052 HydrophobicContact CD2-CD2 4.44Å; F1033-L1052 HydrophobicContact CG-CD2 4.27Å; F1033-Y1053 CarbonylContact C-O 3.44Å; F1033-Y1053 VanDerWaalsContact CA-O 3.26Å; F1033-Y1053 WeakPolarHBondContact CA-O 3.36Å
1034	K	76.8	Confident	71.1	Confident	50.4 Å²	50.4	72.3 Å²	72.3	22%	0.219	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.2	161	-175.3	-175.9	-170.8	-173.1	0	107.2	A1023 I1024 R1031 N1036 Q1051 L1052 Y1053	A1023-K1034 CarbonylContact O-C 3.48Å; A1023-K1034 VanDerWaalsContact O-CA 3.26Å; A1023-K1034 WeakPolarHBondContact O-CA 3.33Å; I1024-K1034 HydrophobicContact CG1-CB 4.43Å; I1024-K1034 HydrophobicContact CG1-CG 4.22Å; R1031-K1034 VanDerWaalsContact NH2-CE 3.28Å; K1034-N1036 VanDerWaalsContact CD-OD1 3.26Å; K1034-N1036 WeakPolarHBondContact CD-OD1 3.41Å; K1034-N1036 VanDerWaalsContact CE-OD1 3.28Å; K1034-N1036 WeakPolarHBondContact CE-OD1 3.28Å; K1034-N1036 PolarHBondContact NZ-OD1 2.77Å; K1034-Q1051 CarbonylContact C-O 3.53Å; K1034-Q1051 CarbonylContact O-C 3.47Å; K1034-L1052 CarbonylContact O-C 3.49Å; K1034-L1052 VanDerWaalsContact O-C 3.24Å; K1034-L1052 WeakPolarHBondContact O-CA 3.02Å; K1034-Y1053 HydrophobicContact CB-CD2 4.05Å; K1034-Y1053 HydrophobicContact CB-CG 4.01Å; K1034-Y1053 HydrophobicContact CD-CD2 3.75Å; K1034-Y1053 HydrophobicContact CD-CE2 4.19Å; K1034-Y1053 HydrophobicContact CD-CG 4.2Å; K1034-Y1053 HydrophobicContact CG-CD2 4.08Å; K1034-Y1053 PolarHBondContact N-O 3.05Å; K1034-Y1053 VanDerWaalsContact N-O 3.1Å; K1034-Y1053 PolarHBondContact O-N 3.03Å
1035	V	75.4	Confident	70.2	Confident	30.8 Å²	30.8	73.6 Å²	73.6	19%	0.187	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.6	171	-176.2	0	0	0	0	107.5	Q1022 A1023 F1033 I1050 Q1051 L1052	Q1022-V1035 CarbonylContact C-O 3.55Å; Q1022-V1035 VanDerWaalsContact CA-O 3.29Å; Q1022-V1035 WeakPolarHBondContact CA-O 3.37Å; A1023-V1035 HydrophobicContact CB-CB 4.22Å; A1023-V1035 HydrophobicContact CB-CG2 4.48Å; A1023-V1035 PolarHBondContact N-O 3.09Å; A1023-V1035 WeakPolarHBondContact O-CA 3.49Å; A1023-V1035 WeakPolarHBondContact O-CB 3.23Å; A1023-V1035 WeakPolarHBondContact O-CG2 3.49Å; A1023-V1035 PolarHBondContact O-N 2.88Å; A1023-V1035 VanDerWaalsContact O-O 3.13Å; F1033-V1035 HydrophobicContact CD2-CG2 3.86Å; F1033-V1035 HydrophobicContact CE2-CG2 4.29Å; F1033-V1035 HydrophobicContact CG-CG2 4.48Å; V1035-I1050 HydrophobicContact CG1-CG2 3.71Å; V1035-I1050 VanDerWaalsContact CG1-CG2 3.48Å; V1035-Q1051 CarbonylContact C-O 3.51Å; V1035-Q1051 WeakPolarHBondContact CA-O 3.16Å; V1035-L1052 HydrophobicContact CB-CD2 4.49Å; V1035-L1052 HydrophobicContact CG1-CD2 4.4Å; V1035-L1052 HydrophobicContact CG1-CG 4.44Å; V1035-L1052 HydrophobicContact CG2-CB 3.9Å; V1035-L1052 HydrophobicContact CG2-CD1 4.04Å; V1035-L1052 HydrophobicContact CG2-CD2 3.59Å; V1035-L1052 HydrophobicContact CG2-CG 3.98Å
1036	N	77.7	Confident	69.7	Low	41.4 Å²	41.4	75.5 Å²	75.5	22%	0.221	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.3	164	-63.8	-10.6	0	0	0	107.8	I1021 Q1022 K1034 R1049 I1050 Q1051 Y1053	I1021-N1036 CarbonylContact O-C 3.49Å; I1021-N1036 WeakPolarHBondContact O-CA 3.22Å; Q1022-N1036 VanDerWaalsContact CG-OD1 3.3Å; Q1022-N1036 WeakPolarHBondContact CG-OD1 3.34Å; Q1022-N1036 PolarHBondContact NE2-OD1 2.77Å; K1034-N1036 VanDerWaalsContact CD-OD1 3.26Å; K1034-N1036 WeakPolarHBondContact CD-OD1 3.41Å; K1034-N1036 VanDerWaalsContact CE-OD1 3.28Å; K1034-N1036 WeakPolarHBondContact CE-OD1 3.28Å; K1034-N1036 PolarHBondContact NZ-OD1 2.77Å; N1036-R1049 VanDerWaalsContact O-O 3.13Å; N1036-I1050 CarbonylContact O-C 3.53Å; N1036-I1050 VanDerWaalsContact O-CA 3.28Å; N1036-I1050 WeakPolarHBondContact O-CA 3.35Å; N1036-Q1051 HydrophobicContact CB-CB 4.27Å; N1036-Q1051 HydrophobicContact CB-CG 4.45Å; N1036-Q1051 PolarHBondContact N-O 3.22Å; N1036-Q1051 VanDerWaalsContact N-O 3.13Å; N1036-Q1051 PolarHBondContact ND2-OE1 3.34Å; N1036-Q1051 PolarHBondContact O-N 3.15Å; N1036-Y1053 HydrophobicContact CB-CE2 4.3Å; N1036-Y1053 WeakPolarHBondContact ND2-CE2 3.24Å
1037	G	76	Confident	69.3	Low	17.2 Å²	17.2	74.5 Å²	74.5	18%	0.177	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.5	174.7	0	0	0	0	0	111.8	L1020 I1021 R1049	L1020-G1037 CarbonylContact C-O 3.49Å; L1020-G1037 VanDerWaalsContact CA-O 3.24Å; L1020-G1037 WeakPolarHBondContact CA-O 3.25Å; I1021-G1037 PolarHBondContact N-O 3.28Å; I1021-G1037 WeakPolarHBondContact O-CA 3.44Å; I1021-G1037 PolarHBondContact O-N 3.05Å; I1021-G1037 VanDerWaalsContact O-N 3.1Å; G1037-R1049 CarbonylContact C-O 3.25Å; G1037-R1049 VanDerWaalsContact CA-O 3.32Å; G1037-R1049 WeakPolarHBondContact CA-O 3.23Å
1038	S	76.2	Confident	69.4	Low	42.6 Å²	42.6	73.2 Å²	73.2	30%	0.298	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.4	168.4	68.5	0	0	0	0	109.3	D1019 A1048 R1049	D1019-S1038 CarbonylContact O-C 3.6Å; D1019-S1038 WeakPolarHBondContact O-CA 3.45Å; S1038-A1048 CarbonylContact O-C 3.39Å; S1038-A1048 VanDerWaalsContact O-CA 3.22Å; S1038-A1048 WeakPolarHBondContact O-CA 3.33Å; S1038-R1049 PolarHBondContact N-O 2.96Å; S1038-R1049 PolarHBondContact O-N 3.09Å; S1038-R1049 VanDerWaalsContact O-N 3.14Å; S1038-R1049 WeakPolarHBondContact OG-CB 3.08Å
1039	L	66.3	Low	69.5	Low	96.6 Å²	96.6	77.5 Å²	77.5	51%	0.506	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	108.2	176.4	-171.1	83.5	0	0	0	109.3	D1019 I1021 I1041 N1047 A1048	D1019-L1039 HydrophobicContact CB-CB 4.27Å; D1019-L1039 WeakPolarHBondContact CB-O 3.27Å; D1019-L1039 PolarHBondContact O-N 2.82Å; I1021-L1039 HydrophobicContact CD1-CB 4.38Å; L1039-I1041 HydrophobicContact CD1-CG1 4.42Å; L1039-I1041 HydrophobicContact CD2-CD1 3.96Å; L1039-I1041 HydrophobicContact CD2-CG1 4.11Å; L1039-I1041 HydrophobicContact CG-CD1 4.24Å; L1039-I1041 HydrophobicContact CG-CG1 4.23Å; L1039-N1047 WeakPolarHBondContact CA-O 3.44Å; L1039-A1048 HydrophobicContact CD1-CB 3.97Å
1040	D	69.6	Low	69.8	Low	85.4 Å²	85.4	72.5 Å²	72.5	46%	0.457	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.6	175.2	-141.4	-1.2	0	0	0	109.5	Q1042 T1046 N1047	D1040-Q1042 WeakPolarHBondContact OD1-CG 3.13Å; D1040-Q1042 PolarHBondContact OD1-NE2 2.81Å; D1040-Q1042 PolarHBondContact OD2-NE2 2.79Å; D1040-T1046 CarbonylContact O-C 3.38Å; D1040-T1046 WeakPolarHBondContact O-CA 3.28Å; D1040-N1047 HydrophobicContact CB-CB 4.27Å; D1040-N1047 PolarHBondContact N-O 3.1Å; D1040-N1047 VanDerWaalsContact N-O 3.11Å; D1040-N1047 PolarHBondContact O-N 3.04Å; D1040-N1047 VanDerWaalsContact O-N 3.07Å; D1040-N1047 PolarHBondContact OD2-ND2 2.79Å; D1040-N1047 VanDerWaalsContact OD2-ND2 3.13Å
1041	I	61.3	Low	70.1	Confident	106 Å²	106	70.8 Å²	70.8	54%	0.544	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	105.7	179.1	-55	176.7	0	0	0	108.2	L1039 D1045 T1046	L1039-I1041 HydrophobicContact CD1-CG1 4.42Å; L1039-I1041 HydrophobicContact CD2-CD1 3.96Å; L1039-I1041 HydrophobicContact CD2-CG1 4.11Å; L1039-I1041 HydrophobicContact CG-CD1 4.24Å; L1039-I1041 HydrophobicContact CG-CG1 4.23Å; I1041-D1045 CarbonylContact C-O 3.39Å; I1041-D1045 WeakPolarHBondContact CA-O 3.16Å; I1041-T1046 HydrophobicContact CG1-CG2 4.29Å; I1041-T1046 HydrophobicContact CG2-CG2 4.32Å
1042	Q	61.2	Low	70.1	Confident	142.4 Å²	142.4	68.2 Å²	68.2	67%	0.665	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	96.9	176.2	-69.4	-173.4	2.8	0	0	109.4	D1040 N1044 D1045	D1040-Q1042 WeakPolarHBondContact OD1-CG 3.13Å; D1040-Q1042 PolarHBondContact OD1-NE2 2.81Å; D1040-Q1042 PolarHBondContact OD2-NE2 2.79Å; Q1042-N1044 PolarHBondContact O-N 3.11Å; Q1042-N1044 VanDerWaalsContact O-N 3.12Å; Q1042-D1045 PolarHBondContact N-O 3.05Å; Q1042-D1045 VanDerWaalsContact N-O 3.16Å; Q1042-D1045 PolarHBondContact O-N 3.16Å; Q1042-D1045 VanDerWaalsContact O-N 3.12Å
1043	G	64.4	Low	70.1	Confident	69 Å²	69	69.1 Å²	69.1	71%	0.711	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	-116.9	-176.6	0	0	0	0	0	111.9
1044	N	60.7	Low	69.8	Low	122.4 Å²	122.4	68.9 Å²	68.9	66%	0.655	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-6.9	178	-79.6	-17.8	0	0	0	113.9	Q1042 H1067	Q1042-N1044 PolarHBondContact O-N 3.11Å; Q1042-N1044 VanDerWaalsContact O-N 3.12Å; N1044-H1067 HydrophobicContact CB-CB 4.11Å; N1044-H1067 WeakPolarHBondContact CB-NE2 3.23Å; N1044-H1067 PolarHBondContact ND2-CE1 3.39Å; N1044-H1067 PolarHBondContact ND2-NE2 2.82Å
1045	D	60.9	Low	69	Low	46.8 Å²	46.8	71 Å²	71	25%	0.25	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.6	178.5	-70	-5.9	0	0	0	109.5	I1041 Q1042 K1065 Y1066 H1067	I1041-D1045 CarbonylContact C-O 3.39Å; I1041-D1045 WeakPolarHBondContact CA-O 3.16Å; Q1042-D1045 PolarHBondContact N-O 3.05Å; Q1042-D1045 VanDerWaalsContact N-O 3.16Å; Q1042-D1045 PolarHBondContact O-N 3.16Å; Q1042-D1045 VanDerWaalsContact O-N 3.12Å; D1045-K1065 CarbonylContact C-O 3.53Å; D1045-K1065 VanDerWaalsContact CA-O 3.27Å; D1045-K1065 WeakPolarHBondContact CA-O 3.41Å; D1045-Y1066 VanDerWaalsContact OD1-CA 3.26Å; D1045-Y1066 WeakPolarHBondContact OD1-CA 3.28Å; D1045-Y1066 VanDerWaalsContact OD2-CD1 3.26Å; D1045-Y1066 WeakPolarHBondContact OD2-CD1 3.13Å; D1045-H1067 WeakPolarHBondContact OD1-CB 3.27Å; D1045-H1067 IonicContact OD1-CD2 3.54Å; D1045-H1067 IonicContact OD1-CE1 3.63Å; D1045-H1067 IonicContact OD1-CG 3.81Å; D1045-H1067 PolarHBondContact OD1-N 3.18Å; D1045-H1067 VanDerWaalsContact OD1-N 3.17Å; D1045-H1067 IonicContact OD1-ND1 2.73Å; D1045-H1067 PolarHBondContact OD1-ND1 2.88Å; D1045-H1067 IonicContact OD2-ND1 2.72Å
1046	T	68.6	Low	68.1	Low	42.2 Å²	42.2	77.1 Å²	77.1	26%	0.259	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.7	176.3	58.2	0	0	0	0	109.7	D1040 I1041 R1064 K1065	D1040-T1046 CarbonylContact O-C 3.38Å; D1040-T1046 WeakPolarHBondContact O-CA 3.28Å; I1041-T1046 HydrophobicContact CG1-CG2 4.29Å; I1041-T1046 HydrophobicContact CG2-CG2 4.32Å; T1046-R1064 CarbonylContact O-C 3.51Å; T1046-R1064 WeakPolarHBondContact O-CA 3.22Å; T1046-K1065 PolarHBondContact N-O 3.01Å; T1046-K1065 VanDerWaalsContact N-O 3.14Å; T1046-K1065 PolarHBondContact O-N 3.18Å; T1046-K1065 WeakPolarHBondContact OG1-CB 3.28Å
1047	N	70.5	Confident	67.2	Low	44.2 Å²	44.2	78.3 Å²	78.3	24%	0.236	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	104.1	176.7	-74.2	-38.8	0	0	0	109.6	L1039 D1040 F1063 R1064	L1039-N1047 WeakPolarHBondContact CA-O 3.44Å; D1040-N1047 HydrophobicContact CB-CB 4.27Å; D1040-N1047 PolarHBondContact N-O 3.1Å; D1040-N1047 VanDerWaalsContact N-O 3.11Å; D1040-N1047 PolarHBondContact O-N 3.04Å; D1040-N1047 VanDerWaalsContact O-N 3.07Å; D1040-N1047 PolarHBondContact OD2-ND2 2.79Å; D1040-N1047 VanDerWaalsContact OD2-ND2 3.13Å; N1047-F1063 CarbonylContact C-O 3.58Å; N1047-F1063 WeakPolarHBondContact CA-O 3.16Å; N1047-R1064 VanDerWaalsContact OD1-CB 3.31Å; N1047-R1064 WeakPolarHBondContact OD1-CB 3.03Å; N1047-R1064 WeakPolarHBondContact OD1-CD 3.19Å; N1047-R1064 VanDerWaalsContact OD1-CG 3.27Å; N1047-R1064 WeakPolarHBondContact OD1-CG 3.19Å
1048	A	72.8	Confident	66.9	Low	22.2 Å²	22.2	80.6 Å²	80.6	18%	0.183	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.6	170.3	0	0	0	0	0	109.9	S1038 L1039 S1062 F1063	S1038-A1048 CarbonylContact O-C 3.39Å; S1038-A1048 VanDerWaalsContact O-CA 3.22Å; S1038-A1048 WeakPolarHBondContact O-CA 3.33Å; L1039-A1048 HydrophobicContact CD1-CB 3.97Å; A1048-S1062 CarbonylContact O-C 3.47Å; A1048-S1062 WeakPolarHBondContact O-CA 3.34Å; A1048-F1063 CarbonylContact C-O 3.34Å; A1048-F1063 HydrophobicContact CB-CB 4.27Å; A1048-F1063 HydrophobicContact CB-CD1 4.28Å; A1048-F1063 PolarHBondContact N-O 3.2Å; A1048-F1063 WeakPolarHBondContact O-CA 3.41Å; A1048-F1063 PolarHBondContact O-N 3.04Å; A1048-F1063 VanDerWaalsContact O-N 3.08Å
1049	R	74.7	Confident	66.6	Low	146.2 Å²	146.2	80.4 Å²	80.4	55%	0.552	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.1	171.3	-62.9	-179.1	-175.4	171.2	3.6	108.8	N1036 G1037 S1038	N1036-R1049 VanDerWaalsContact O-O 3.13Å; G1037-R1049 CarbonylContact C-O 3.25Å; G1037-R1049 VanDerWaalsContact CA-O 3.32Å; G1037-R1049 WeakPolarHBondContact CA-O 3.23Å; S1038-R1049 PolarHBondContact N-O 2.96Å; S1038-R1049 PolarHBondContact O-N 3.09Å; S1038-R1049 VanDerWaalsContact O-N 3.14Å; S1038-R1049 WeakPolarHBondContact OG-CB 3.08Å
1050	I	75.5	Confident	67	Low	69 Å²	69	77.9 Å²	77.9	35%	0.354	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.9	179.6	-61.8	170.5	0	0	0	107.7	V1035 N1036 L1052 V1061	V1035-I1050 HydrophobicContact CG1-CG2 3.71Å; V1035-I1050 VanDerWaalsContact CG1-CG2 3.48Å; N1036-I1050 CarbonylContact O-C 3.53Å; N1036-I1050 VanDerWaalsContact O-CA 3.28Å; N1036-I1050 WeakPolarHBondContact O-CA 3.35Å; I1050-L1052 HydrophobicContact CG2-CD1 4.07Å; I1050-L1052 HydrophobicContact CG2-CG 4.17Å; I1050-V1061 CarbonylContact C-O 3.15Å; I1050-V1061 WeakPolarHBondContact CA-O 3.36Å; I1050-V1061 HydrophobicContact CB-CB 4.32Å; I1050-V1061 WeakPolarHBondContact CB-O 3.28Å; I1050-V1061 PolarHBondContact N-O 3.03Å; I1050-V1061 CarbonylContact O-C 3.53Å; I1050-V1061 WeakPolarHBondContact O-CA 3.49Å; I1050-V1061 PolarHBondContact O-N 3.22Å; I1050-V1061 VanDerWaalsContact O-N 3.16Å; I1050-V1061 VanDerWaalsContact O-O 3.07Å
1051	Q	75	Confident	67.3	Low	72.8 Å²	72.8	75.1 Å²	75.1	34%	0.34	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	108.8	172.5	-58.2	-172.3	-39.5	0	0	109.2	K1034 V1035 N1036 Y1053 N1060	K1034-Q1051 CarbonylContact C-O 3.53Å; K1034-Q1051 CarbonylContact O-C 3.47Å; V1035-Q1051 CarbonylContact C-O 3.51Å; V1035-Q1051 WeakPolarHBondContact CA-O 3.16Å; N1036-Q1051 HydrophobicContact CB-CB 4.27Å; N1036-Q1051 HydrophobicContact CB-CG 4.45Å; N1036-Q1051 PolarHBondContact N-O 3.22Å; N1036-Q1051 VanDerWaalsContact N-O 3.13Å; N1036-Q1051 PolarHBondContact ND2-OE1 3.34Å; N1036-Q1051 PolarHBondContact O-N 3.15Å; Q1051-Y1053 HydrophobicContact CB-CD2 4.3Å; Q1051-Y1053 HydrophobicContact CB-CE2 3.72Å; Q1051-Y1053 VanDerWaalsContact CB-CE2 3.48Å; Q1051-Y1053 HydrophobicContact CG-CE2 4.46Å; Q1051-Y1053 VanDerWaalsContact O-CD2 3.29Å; Q1051-Y1053 WeakPolarHBondContact O-CD2 3.39Å; Q1051-Y1053 PolarHBondContact O-N 3.4Å; Q1051-Y1053 PolarHBondContact OE1-OH 3.13Å; Q1051-N1060 WeakPolarHBondContact CB-OD1 3.18Å; Q1051-N1060 VanDerWaalsContact CG-OD1 3.28Å; Q1051-N1060 WeakPolarHBondContact CG-OD1 3.41Å; Q1051-N1060 PolarHBondContact NE2-OD1 3.17Å
1052	L	69.1	Low	68	Low	58.6 Å²	58.6	71.1 Å²	71.1	31%	0.307	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	106.7	177.1	-124	152.8	0	0	0	109.3	F1033 K1034 V1035 I1050 N1054 I1058 L1059	F1033-L1052 HydrophobicContact CB-CD2 3.99Å; F1033-L1052 HydrophobicContact CB-CG 4.47Å; F1033-L1052 HydrophobicContact CD2-CD2 4.44Å; F1033-L1052 HydrophobicContact CG-CD2 4.27Å; K1034-L1052 CarbonylContact O-C 3.49Å; K1034-L1052 VanDerWaalsContact O-C 3.24Å; K1034-L1052 WeakPolarHBondContact O-CA 3.02Å; V1035-L1052 HydrophobicContact CB-CD2 4.49Å; V1035-L1052 HydrophobicContact CG1-CD2 4.4Å; V1035-L1052 HydrophobicContact CG1-CG 4.44Å; V1035-L1052 HydrophobicContact CG2-CB 3.9Å; V1035-L1052 HydrophobicContact CG2-CD1 4.04Å; V1035-L1052 HydrophobicContact CG2-CD2 3.59Å; V1035-L1052 HydrophobicContact CG2-CG 3.98Å; I1050-L1052 HydrophobicContact CG2-CD1 4.07Å; I1050-L1052 HydrophobicContact CG2-CG 4.17Å; L1052-N1054 HydrophobicContact CD2-CB 4.14Å; L1052-N1054 PolarHBondContact O-N 2.99Å; L1052-I1058 WeakPolarHBondContact O-CA 3.24Å; L1052-L1059 WeakPolarHBondContact CA-O 3.15Å; L1052-L1059 HydrophobicContact CB-CB 4.14Å; L1052-L1059 WeakPolarHBondContact CB-O 3.39Å; L1052-L1059 HydrophobicContact CD1-CD2 4.29Å; L1052-L1059 PolarHBondContact N-O 3.28Å; L1052-L1059 VanDerWaalsContact N-O 3.16Å; L1052-L1059 PolarHBondContact O-N 3.19Å
1053	Y	69.1	Low	68.6	Low	80 Å²	80	67.9 Å²	67.9	31%	0.314	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	107.5	173.1	-61.4	-95.4	0	0	0	110.2	F1033 K1034 N1036 Q1051 I1058	F1033-Y1053 CarbonylContact C-O 3.44Å; F1033-Y1053 VanDerWaalsContact CA-O 3.26Å; F1033-Y1053 WeakPolarHBondContact CA-O 3.36Å; K1034-Y1053 HydrophobicContact CB-CD2 4.05Å; K1034-Y1053 HydrophobicContact CB-CG 4.01Å; K1034-Y1053 HydrophobicContact CD-CD2 3.75Å; K1034-Y1053 HydrophobicContact CD-CE2 4.19Å; K1034-Y1053 HydrophobicContact CD-CG 4.2Å; K1034-Y1053 HydrophobicContact CG-CD2 4.08Å; K1034-Y1053 PolarHBondContact N-O 3.05Å; K1034-Y1053 VanDerWaalsContact N-O 3.1Å; K1034-Y1053 PolarHBondContact O-N 3.03Å; N1036-Y1053 HydrophobicContact CB-CE2 4.3Å; N1036-Y1053 WeakPolarHBondContact ND2-CE2 3.24Å; Q1051-Y1053 HydrophobicContact CB-CD2 4.3Å; Q1051-Y1053 HydrophobicContact CB-CE2 3.72Å; Q1051-Y1053 VanDerWaalsContact CB-CE2 3.48Å; Q1051-Y1053 HydrophobicContact CG-CE2 4.46Å; Q1051-Y1053 VanDerWaalsContact O-CD2 3.29Å; Q1051-Y1053 WeakPolarHBondContact O-CD2 3.39Å; Q1051-Y1053 PolarHBondContact O-N 3.4Å; Q1051-Y1053 PolarHBondContact OE1-OH 3.13Å; Y1053-I1058 HydrophobicContact CD1-CB 4.35Å; Y1053-I1058 HydrophobicContact CD1-CD1 3.97Å; Y1053-I1058 HydrophobicContact CD1-CG1 4Å; Y1053-I1058 HydrophobicContact CD1-CG2 3.98Å; Y1053-I1058 HydrophobicContact CE1-CD1 4.1Å; Y1053-I1058 HydrophobicContact CE1-CG1 4.25Å; Y1053-I1058 HydrophobicContact CE1-CG2 4Å; Y1053-I1058 HydrophobicContact CG-CG1 4.46Å; Y1053-I1058 HydrophobicContact CG-CG2 4.13Å
1054	N	63.4	Low	69.1	Low	61.2 Å²	61.2	68.7 Å²	68.7	33%	0.327	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	147	162.6	177.6	-39.5	0	0	0	107.8	I1032 L1052 F1056 I1057	I1032-N1054 WeakPolarHBondContact O-CA 3.38Å; I1032-N1054 WeakPolarHBondContact O-CB 3.18Å; I1032-N1054 PolarHBondContact O-ND2 2.92Å; L1052-N1054 HydrophobicContact CD2-CB 4.14Å; L1052-N1054 PolarHBondContact O-N 2.99Å; N1054-F1056 PolarHBondContact O-N 3.04Å; N1054-F1056 WeakPolarHBondContact OD1-CD2 3.26Å; N1054-F1056 PolarHBondContact OD1-N 3.08Å; N1054-F1056 VanDerWaalsContact OD1-N 3.12Å; N1054-I1057 WeakPolarHBondContact CA-O 3.25Å; N1054-I1057 HydrophobicContact CB-CB 4.31Å; N1054-I1057 VanDerWaalsContact CB-O 3.3Å; N1054-I1057 WeakPolarHBondContact CB-O 3.13Å; N1054-I1057 PolarHBondContact N-O 3.02Å; N1054-I1057 VanDerWaalsContact N-O 3.14Å; N1054-I1057 CarbonylContact O-C 3.57Å; N1054-I1057 PolarHBondContact O-N 3.06Å; N1054-I1057 VanDerWaalsContact O-N 3.09Å; N1054-I1057 VanDerWaalsContact O-O 3.09Å
1055	P	60.5	Low	69.5	Low	94.6 Å²	94.6	67.6 Å²	67.6	61%	0.614	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-23.7	177	13.9	-29.7	0	0	0	115.3	R1031 I1032	R1031-P1055 WeakPolarHBondContact O-CD 3.47Å; R1031-P1055 WeakPolarHBondContact O-CG 3.17Å; I1032-P1055 VanDerWaalsContact O-CD 3.23Å; I1032-P1055 WeakPolarHBondContact O-CD 3.4Å
1056	F	56.9	Low	69.9	Low	158.4 Å²	158.4	69.2 Å²	69.2	70%	0.695	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-18.4	178	-59.2	-75	0	0	0	115	N1054 A1079 I1496	N1054-F1056 PolarHBondContact O-N 3.04Å; N1054-F1056 WeakPolarHBondContact OD1-CD2 3.26Å; N1054-F1056 PolarHBondContact OD1-N 3.08Å; N1054-F1056 VanDerWaalsContact OD1-N 3.12Å; F1056-A1079 WeakPolarHBondContact O-CA 3.49Å; F1056-A1079 WeakPolarHBondContact O-CB 3.47Å; F1056-I1496 HydrophobicContact CD2-CD1 4.42Å; F1056-I1496 HydrophobicContact CE1-CD1 4.46Å; F1056-I1496 HydrophobicContact CE2-CD1 3.38Å; F1056-I1496 HydrophobicContact CZ-CD1 3.41Å; F1056-I1496 VanDerWaalsContact CZ-CD1 3.41Å
1057	I	59	Low	69.6	Low	67.2 Å²	67.2	73.1 Å²	73.1	35%	0.345	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	125.6	-168.6	-56.5	179.5	0	0	0	109.9	N1054 L1059 S1077 A1079	N1054-I1057 WeakPolarHBondContact CA-O 3.25Å; N1054-I1057 HydrophobicContact CB-CB 4.31Å; N1054-I1057 VanDerWaalsContact CB-O 3.3Å; N1054-I1057 WeakPolarHBondContact CB-O 3.13Å; N1054-I1057 PolarHBondContact N-O 3.02Å; N1054-I1057 VanDerWaalsContact N-O 3.14Å; N1054-I1057 CarbonylContact O-C 3.57Å; N1054-I1057 PolarHBondContact O-N 3.06Å; N1054-I1057 VanDerWaalsContact O-N 3.09Å; N1054-I1057 VanDerWaalsContact O-O 3.09Å; I1057-L1059 HydrophobicContact CG2-CB 4.38Å; I1057-L1059 HydrophobicContact CG2-CD1 4.38Å; I1057-L1059 PolarHBondContact O-N 2.71Å; I1057-S1077 WeakPolarHBondContact CG2-OG 3.4Å; I1057-A1079 HydrophobicContact CB-CB 4.26Å; I1057-A1079 HydrophobicContact CD1-CB 4.16Å; I1057-A1079 HydrophobicContact CG1-CB 3.84Å; I1057-A1079 HydrophobicContact CG2-CB 4.17Å
1058	I	69	Low	68.9	Low	64.4 Å²	64.4	76.7 Å²	76.7	33%	0.33	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.7	162.8	-55.1	174.1	0	0	0	107	L1052 Y1053 S1077 Q1078	L1052-I1058 WeakPolarHBondContact O-CA 3.24Å; Y1053-I1058 HydrophobicContact CD1-CB 4.35Å; Y1053-I1058 HydrophobicContact CD1-CD1 3.97Å; Y1053-I1058 HydrophobicContact CD1-CG1 4Å; Y1053-I1058 HydrophobicContact CD1-CG2 3.98Å; Y1053-I1058 HydrophobicContact CE1-CD1 4.1Å; Y1053-I1058 HydrophobicContact CE1-CG1 4.25Å; Y1053-I1058 HydrophobicContact CE1-CG2 4Å; Y1053-I1058 HydrophobicContact CG-CG1 4.46Å; Y1053-I1058 HydrophobicContact CG-CG2 4.13Å; I1058-S1077 CarbonylContact O-C 3.54Å; I1058-S1077 VanDerWaalsContact O-CA 3.31Å; I1058-S1077 WeakPolarHBondContact O-CA 3.34Å; I1058-S1077 WeakPolarHBondContact O-CB 3.48Å; I1058-S1077 PolarHBondContact O-OG 2.67Å; I1058-Q1078 HydrophobicContact CB-CB 4.24Å; I1058-Q1078 PolarHBondContact O-N 2.89Å
1059	L	70.1	Confident	68.4	Low	38.2 Å²	38.2	77.3 Å²	77.3	20%	0.2	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110	177	-171.9	78.8	0	0	0	109.7	L1052 I1057 V1061 A1075 I1076 F1084	L1052-L1059 WeakPolarHBondContact CA-O 3.15Å; L1052-L1059 HydrophobicContact CB-CB 4.14Å; L1052-L1059 WeakPolarHBondContact CB-O 3.39Å; L1052-L1059 HydrophobicContact CD1-CD2 4.29Å; L1052-L1059 PolarHBondContact N-O 3.28Å; L1052-L1059 VanDerWaalsContact N-O 3.16Å; L1052-L1059 PolarHBondContact O-N 3.19Å; I1057-L1059 HydrophobicContact CG2-CB 4.38Å; I1057-L1059 HydrophobicContact CG2-CD1 4.38Å; I1057-L1059 PolarHBondContact O-N 2.71Å; L1059-V1061 HydrophobicContact CD1-CG2 4.35Å; L1059-V1061 HydrophobicContact CD2-CG2 3.73Å; L1059-V1061 VanDerWaalsContact CD2-CG2 3.4Å; L1059-V1061 HydrophobicContact CG-CG2 3.97Å; L1059-V1061 PolarHBondContact O-N 3.31Å; L1059-A1075 HydrophobicContact CD1-CB 4.27Å; L1059-A1075 HydrophobicContact CD2-CB 4.29Å; L1059-A1075 HydrophobicContact CG-CB 4.32Å; L1059-I1076 CarbonylContact C-O 3.47Å; L1059-I1076 WeakPolarHBondContact CA-O 3.07Å; L1059-F1084 HydrophobicContact CD1-CE1 3.95Å; L1059-F1084 HydrophobicContact CD1-CE2 4.17Å; L1059-F1084 HydrophobicContact CD1-CZ 3.64Å; L1059-F1084 VanDerWaalsContact CD1-CZ 3.4Å; L1059-F1084 HydrophobicContact CD2-CZ 4.2Å; L1059-F1084 HydrophobicContact CG-CZ 4.41Å
1060	N	75.6	Confident	67.9	Low	44.6 Å²	44.6	72.3 Å²	72.3	24%	0.239	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.6	172	-69.5	-30.1	0	0	0	109	Q1051 A1075 I1076	Q1051-N1060 WeakPolarHBondContact CB-OD1 3.18Å; Q1051-N1060 VanDerWaalsContact CG-OD1 3.28Å; Q1051-N1060 WeakPolarHBondContact CG-OD1 3.41Å; Q1051-N1060 PolarHBondContact NE2-OD1 3.17Å; N1060-A1075 WeakPolarHBondContact O-CA 3.29Å; N1060-I1076 HydrophobicContact CB-CB 4.49Å; N1060-I1076 PolarHBondContact N-O 3.07Å; N1060-I1076 PolarHBondContact O-N 3.04Å; N1060-I1076 VanDerWaalsContact O-N 3.08Å
1061	V	74.5	Confident	67.5	Low	26 Å²	26	71 Å²	71	16%	0.158	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.2	172.1	-174	0	0	0	0	109	I1050 L1059 F1063 M1073 Q1074 A1075	I1050-V1061 CarbonylContact C-O 3.15Å; I1050-V1061 WeakPolarHBondContact CA-O 3.36Å; I1050-V1061 HydrophobicContact CB-CB 4.32Å; I1050-V1061 WeakPolarHBondContact CB-O 3.28Å; I1050-V1061 PolarHBondContact N-O 3.03Å; I1050-V1061 CarbonylContact O-C 3.53Å; I1050-V1061 WeakPolarHBondContact O-CA 3.49Å; I1050-V1061 PolarHBondContact O-N 3.22Å; I1050-V1061 VanDerWaalsContact O-N 3.16Å; I1050-V1061 VanDerWaalsContact O-O 3.07Å; L1059-V1061 HydrophobicContact CD1-CG2 4.35Å; L1059-V1061 HydrophobicContact CD2-CG2 3.73Å; L1059-V1061 VanDerWaalsContact CD2-CG2 3.4Å; L1059-V1061 HydrophobicContact CG-CG2 3.97Å; L1059-V1061 PolarHBondContact O-N 3.31Å; V1061-F1063 HydrophobicContact CG1-CD2 3.97Å; V1061-F1063 HydrophobicContact CG1-CE2 4.05Å; V1061-M1073 HydrophobicContact CG1-CE 4Å; V1061-M1073 HydrophobicContact CG1-CG 4.33Å; V1061-Q1074 CarbonylContact C-O 3.37Å; V1061-Q1074 VanDerWaalsContact CA-O 3.25Å; V1061-Q1074 WeakPolarHBondContact CA-O 3.22Å; V1061-A1075 HydrophobicContact CB-CB 4.44Å; V1061-A1075 HydrophobicContact CG1-CB 4.31Å; V1061-A1075 HydrophobicContact CG2-CB 4.12Å
1062	S	76.9	Confident	67.3	Low	22.2 Å²	22.2	68.4 Å²	68.4	16%	0.155	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.1	169.6	67.1	0	0	0	0	110	A1048 V1072 M1073 Q1074	A1048-S1062 CarbonylContact O-C 3.47Å; A1048-S1062 WeakPolarHBondContact O-CA 3.34Å; S1062-V1072 VanDerWaalsContact O-O 3.05Å; S1062-M1073 CarbonylContact O-C 3.57Å; S1062-M1073 VanDerWaalsContact O-CA 3.24Å; S1062-M1073 WeakPolarHBondContact O-CA 3.44Å; S1062-Q1074 PolarHBondContact N-O 3.21Å; S1062-Q1074 VanDerWaalsContact N-O 3.12Å; S1062-Q1074 PolarHBondContact O-N 3.04Å; S1062-Q1074 PolarHBondContact OG-O 2.8Å
1063	F	72.4	Confident	67.4	Low	75.2 Å²	75.2	68.5 Å²	68.5	33%	0.33	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.2	171.5	-168.9	-88.3	0	0	0	108.5	N1047 A1048 V1061 K1065 I1071 V1072 M1073	N1047-F1063 CarbonylContact C-O 3.58Å; N1047-F1063 WeakPolarHBondContact CA-O 3.16Å; A1048-F1063 CarbonylContact C-O 3.34Å; A1048-F1063 HydrophobicContact CB-CB 4.27Å; A1048-F1063 HydrophobicContact CB-CD1 4.28Å; A1048-F1063 PolarHBondContact N-O 3.2Å; A1048-F1063 WeakPolarHBondContact O-CA 3.41Å; A1048-F1063 PolarHBondContact O-N 3.04Å; A1048-F1063 VanDerWaalsContact O-N 3.08Å; V1061-F1063 HydrophobicContact CG1-CD2 3.97Å; V1061-F1063 HydrophobicContact CG1-CE2 4.05Å; F1063-K1065 HydrophobicContact CE1-CB 4.11Å; F1063-K1065 HydrophobicContact CZ-CB 4.29Å; F1063-I1071 HydrophobicContact CD1-CG2 4.12Å; F1063-I1071 HydrophobicContact CD2-CG2 4.16Å; F1063-I1071 HydrophobicContact CE1-CG2 3.98Å; F1063-I1071 HydrophobicContact CE2-CG2 3.63Å; F1063-I1071 VanDerWaalsContact CE2-CG2 3.43Å; F1063-I1071 HydrophobicContact CZ-CG2 3.92Å; F1063-V1072 CarbonylContact C-O 3.43Å; F1063-V1072 VanDerWaalsContact CA-O 3.23Å; F1063-V1072 WeakPolarHBondContact CA-O 3.34Å; F1063-M1073 HydrophobicContact CD2-CB 4.36Å; F1063-M1073 HydrophobicContact CD2-CG 4.44Å; F1063-M1073 HydrophobicContact CE1-CB 4.06Å; F1063-M1073 HydrophobicContact CE1-CG 4.31Å; F1063-M1073 HydrophobicContact CE2-CB 4.34Å; F1063-M1073 HydrophobicContact CE2-CE 3.98Å; F1063-M1073 HydrophobicContact CE2-CG 3.73Å; F1063-M1073 HydrophobicContact CZ-CB 3.9Å; F1063-M1073 HydrophobicContact CZ-CE 4.07Å; F1063-M1073 HydrophobicContact CZ-CG 3.66Å; F1063-M1073 HydrophobicContact CZ-SD 4.33Å
1064	R	74.6	Confident	67.7	Low	87 Å²	87	67.6 Å²	67.6	33%	0.328	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.8	175.8	-54.1	-169.4	-171.9	170	0.6	109.3	T1046 N1047 Y1066 I1071 V1072	T1046-R1064 CarbonylContact O-C 3.51Å; T1046-R1064 WeakPolarHBondContact O-CA 3.22Å; N1047-R1064 VanDerWaalsContact OD1-CB 3.31Å; N1047-R1064 WeakPolarHBondContact OD1-CB 3.03Å; N1047-R1064 WeakPolarHBondContact OD1-CD 3.19Å; N1047-R1064 VanDerWaalsContact OD1-CG 3.27Å; N1047-R1064 WeakPolarHBondContact OD1-CG 3.19Å; R1064-Y1066 HydrophobicContact CB-CD2 4.22Å; R1064-Y1066 HydrophobicContact CB-CE2 3.75Å; R1064-Y1066 VanDerWaalsContact CD-OH 3.26Å; R1064-Y1066 WeakPolarHBondContact CD-OH 3.36Å; R1064-Y1066 HydrophobicContact CG-CE2 4.14Å; R1064-Y1066 PolarHBondContact NH1-OH 2.98Å; R1064-I1071 CarbonylContact O-C 3.57Å; R1064-I1071 WeakPolarHBondContact O-CA 3.27Å; R1064-V1072 HydrophobicContact CB-CB 4.35Å; R1064-V1072 PolarHBondContact N-O 3.04Å; R1064-V1072 VanDerWaalsContact N-O 3.15Å; R1064-V1072 PolarHBondContact O-N 3.17Å; R1064-V1072 VanDerWaalsContact O-N 3.14Å
1065	K	69.6	Low	68	Low	97.6 Å²	97.6	65.2 Å²	65.2	42%	0.424	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120	167.9	-177.9	-173	173.7	-167.7	0	107.6	D1045 T1046 F1063 L1070 I1071	D1045-K1065 CarbonylContact C-O 3.53Å; D1045-K1065 VanDerWaalsContact CA-O 3.27Å; D1045-K1065 WeakPolarHBondContact CA-O 3.41Å; T1046-K1065 PolarHBondContact N-O 3.01Å; T1046-K1065 VanDerWaalsContact N-O 3.14Å; T1046-K1065 PolarHBondContact O-N 3.18Å; T1046-K1065 WeakPolarHBondContact OG1-CB 3.28Å; F1063-K1065 HydrophobicContact CE1-CB 4.11Å; F1063-K1065 HydrophobicContact CZ-CB 4.29Å; K1065-L1070 CarbonylContact C-O 3.4Å; K1065-L1070 WeakPolarHBondContact CA-O 3.3Å; K1065-I1071 HydrophobicContact CG-CG1 4.27Å
1066	Y	69.8	Low	68.5	Low	81.4 Å²	81.4	63.6 Å²	63.6	32%	0.319	31%	0.31	S	S	.	.			trans	-101	148.5	176.2	-64.9	-86.6	0	0	0	110.7	D1045 R1064 N1068 S1069 L1070 V1072	D1045-Y1066 VanDerWaalsContact OD1-CA 3.26Å; D1045-Y1066 WeakPolarHBondContact OD1-CA 3.28Å; D1045-Y1066 VanDerWaalsContact OD2-CD1 3.26Å; D1045-Y1066 WeakPolarHBondContact OD2-CD1 3.13Å; R1064-Y1066 HydrophobicContact CB-CD2 4.22Å; R1064-Y1066 HydrophobicContact CB-CE2 3.75Å; R1064-Y1066 VanDerWaalsContact CD-OH 3.26Å; R1064-Y1066 WeakPolarHBondContact CD-OH 3.36Å; R1064-Y1066 HydrophobicContact CG-CE2 4.14Å; R1064-Y1066 PolarHBondContact NH1-OH 2.98Å; Y1066-N1068 PolarHBondContact O-N 3.16Å; Y1066-N1068 VanDerWaalsContact O-N 3.11Å; Y1066-S1069 WeakPolarHBondContact O-CA 3.49Å; Y1066-S1069 PolarHBondContact O-N 2.93Å; Y1066-L1070 HydrophobicContact CD2-CB 4.39Å; Y1066-L1070 HydrophobicContact CD2-CD2 3.68Å; Y1066-L1070 HydrophobicContact CD2-CG 4.04Å; Y1066-L1070 HydrophobicContact CE2-CD2 4.12Å; Y1066-L1070 HydrophobicContact CG-CD2 4.33Å; Y1066-L1070 PolarHBondContact N-O 3.09Å; Y1066-L1070 VanDerWaalsContact N-O 3.08Å; Y1066-L1070 PolarHBondContact O-N 2.89Å; Y1066-V1072 HydrophobicContact CE2-CG2 4.28Å
1067	H	61.8	Low	69.2	Low	124.2 Å²	124.2	56.2 Å²	56.2	58%	0.575	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.5	-44.2	179.5	-168.7	-70.4	0	0	0	114.1	N1044 D1045 S1069	N1044-H1067 HydrophobicContact CB-CB 4.11Å; N1044-H1067 WeakPolarHBondContact CB-NE2 3.23Å; N1044-H1067 PolarHBondContact ND2-CE1 3.39Å; N1044-H1067 PolarHBondContact ND2-NE2 2.82Å; D1045-H1067 WeakPolarHBondContact OD1-CB 3.27Å; D1045-H1067 IonicContact OD1-CD2 3.54Å; D1045-H1067 IonicContact OD1-CE1 3.63Å; D1045-H1067 IonicContact OD1-CG 3.81Å; D1045-H1067 PolarHBondContact OD1-N 3.18Å; D1045-H1067 VanDerWaalsContact OD1-N 3.17Å; D1045-H1067 IonicContact OD1-ND1 2.73Å; D1045-H1067 PolarHBondContact OD1-ND1 2.88Å; D1045-H1067 IonicContact OD2-ND1 2.72Å; H1067-S1069 VanDerWaalsContact C-N 3.26Å; H1067-S1069 PolarHBondContact O-N 3.18Å; H1067-S1069 VanDerWaalsContact O-N 3.13Å
1068	N	57.1	Low	69.4	Low	118.8 Å²	118.8	59.3 Å²	59.3	64%	0.635	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	23.3	179.4	-68.6	-11.8	0	0	0	114	Y1066 L1070	Y1066-N1068 PolarHBondContact O-N 3.16Å; Y1066-N1068 VanDerWaalsContact O-N 3.11Å; N1068-L1070 PolarHBondContact O-N 3.02Å; N1068-L1070 VanDerWaalsContact O-N 3.14Å
1069	S	61.1	Low	68.9	Low	36.4 Å²	36.4	57.2 Å²	57.2	26%	0.255	28%	0.283	S	S	.	.	S	Bend	trans	61.8	20.6	-176.7	42.2	0	0	0	0	115.8	Y1066 H1067 V1092 N1094	Y1066-S1069 WeakPolarHBondContact O-CA 3.49Å; Y1066-S1069 PolarHBondContact O-N 2.93Å; H1067-S1069 VanDerWaalsContact C-N 3.26Å; H1067-S1069 PolarHBondContact O-N 3.18Å; H1067-S1069 VanDerWaalsContact O-N 3.13Å; S1069-V1092 CarbonylContact C-O 3.44Å; S1069-V1092 WeakPolarHBondContact CA-O 3.43Å; S1069-V1092 VanDerWaalsContact CB-O 3.28Å; S1069-V1092 WeakPolarHBondContact CB-O 3.42Å; S1069-V1092 CarbonylContact O-C 3.52Å; S1069-V1092 PolarHBondContact O-N 3.04Å; S1069-V1092 PolarHBondContact OG-O 2.96Å; S1069-V1092 VanDerWaalsContact OG-O 3.06Å; S1069-N1094 PolarHBondContact OG-ND2 2.76Å
1070	L	64.8	Low	68.3	Low	39.6 Å²	39.6	62.7 Å²	62.7	21%	0.207	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.2	169.5	-172.1	99.3	0	0	0	109.4	K1065 Y1066 N1068 V1072 I1089 N1090 Y1091	K1065-L1070 CarbonylContact C-O 3.4Å; K1065-L1070 WeakPolarHBondContact CA-O 3.3Å; Y1066-L1070 HydrophobicContact CD2-CB 4.39Å; Y1066-L1070 HydrophobicContact CD2-CD2 3.68Å; Y1066-L1070 HydrophobicContact CD2-CG 4.04Å; Y1066-L1070 HydrophobicContact CE2-CD2 4.12Å; Y1066-L1070 HydrophobicContact CG-CD2 4.33Å; Y1066-L1070 PolarHBondContact N-O 3.09Å; Y1066-L1070 VanDerWaalsContact N-O 3.08Å; Y1066-L1070 PolarHBondContact O-N 2.89Å; N1068-L1070 PolarHBondContact O-N 3.02Å; N1068-L1070 VanDerWaalsContact O-N 3.14Å; L1070-V1072 HydrophobicContact CD1-CG2 4.18Å; L1070-V1072 HydrophobicContact CD2-CG2 3.6Å; L1070-V1072 VanDerWaalsContact CD2-CG2 3.46Å; L1070-V1072 HydrophobicContact CG-CG2 4.08Å; L1070-I1089 HydrophobicContact CD1-CG2 3.92Å; L1070-I1089 VanDerWaalsContact CD1-CG2 3.49Å; L1070-N1090 CarbonylContact C-O 3.47Å; L1070-N1090 WeakPolarHBondContact CA-O 3.33Å; L1070-Y1091 HydrophobicContact CB-CD1 4.28Å; L1070-Y1091 HydrophobicContact CB-CD2 4.02Å; L1070-Y1091 HydrophobicContact CB-CE1 4.47Å; L1070-Y1091 HydrophobicContact CB-CE2 4.23Å; L1070-Y1091 HydrophobicContact CD1-CD1 3.73Å; L1070-Y1091 VanDerWaalsContact CD1-CD1 3.46Å; L1070-Y1091 HydrophobicContact CD1-CD2 4.04Å; L1070-Y1091 HydrophobicContact CD1-CE1 3.44Å; L1070-Y1091 VanDerWaalsContact CD1-CE1 3.43Å; L1070-Y1091 HydrophobicContact CD1-CE2 4.04Å; L1070-Y1091 HydrophobicContact CD1-CG 4.15Å; L1070-Y1091 HydrophobicContact CD2-CE1 4.3Å; L1070-Y1091 HydrophobicContact CG-CD2 4.17Å; L1070-Y1091 HydrophobicContact CG-CE1 4.39Å
1071	I	66.4	Low	67.4	Low	42.8 Å²	42.8	68 Å²	68	22%	0.219	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120	173	-58.3	172.7	0	0	0	107.9	F1063 R1064 K1065 W1088 I1089 N1090 V1092	F1063-I1071 HydrophobicContact CD1-CG2 4.12Å; F1063-I1071 HydrophobicContact CD2-CG2 4.16Å; F1063-I1071 HydrophobicContact CE1-CG2 3.98Å; F1063-I1071 HydrophobicContact CE2-CG2 3.63Å; F1063-I1071 VanDerWaalsContact CE2-CG2 3.43Å; F1063-I1071 HydrophobicContact CZ-CG2 3.92Å; R1064-I1071 CarbonylContact O-C 3.57Å; R1064-I1071 WeakPolarHBondContact O-CA 3.27Å; K1065-I1071 HydrophobicContact CG-CG1 4.27Å; I1071-W1088 HydrophobicContact CB-CZ3 4.4Å; I1071-W1088 HydrophobicContact CG2-CE3 4.33Å; I1071-W1088 HydrophobicContact CG2-CH2 4.23Å; I1071-W1088 HydrophobicContact CG2-CZ3 3.81Å; I1071-I1089 CarbonylContact O-C 3.47Å; I1071-I1089 VanDerWaalsContact O-CA 3.27Å; I1071-I1089 WeakPolarHBondContact O-CA 3.39Å; I1071-N1090 HydrophobicContact CB-CB 4.39Å; I1071-N1090 PolarHBondContact N-O 3.12Å; I1071-N1090 VanDerWaalsContact N-O 3.14Å; I1071-N1090 CarbonylContact O-C 3.4Å; I1071-N1090 PolarHBondContact O-N 3Å; I1071-V1092 HydrophobicContact CD1-CG2 3.81Å; I1071-V1092 HydrophobicContact CG1-CG2 4.25Å
1072	V	71.7	Confident	66.6	Low	18.8 Å²	18.8	73.2 Å²	73.2	11%	0.114	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.2	176.4	178.3	0	0	0	0	108.6	S1062 F1063 R1064 Y1066 L1070 Q1074 W1088 I1089	S1062-V1072 VanDerWaalsContact O-O 3.05Å; F1063-V1072 CarbonylContact C-O 3.43Å; F1063-V1072 VanDerWaalsContact CA-O 3.23Å; F1063-V1072 WeakPolarHBondContact CA-O 3.34Å; R1064-V1072 HydrophobicContact CB-CB 4.35Å; R1064-V1072 PolarHBondContact N-O 3.04Å; R1064-V1072 VanDerWaalsContact N-O 3.15Å; R1064-V1072 PolarHBondContact O-N 3.17Å; R1064-V1072 VanDerWaalsContact O-N 3.14Å; Y1066-V1072 HydrophobicContact CE2-CG2 4.28Å; L1070-V1072 HydrophobicContact CD1-CG2 4.18Å; L1070-V1072 HydrophobicContact CD2-CG2 3.6Å; L1070-V1072 VanDerWaalsContact CD2-CG2 3.46Å; L1070-V1072 HydrophobicContact CG-CG2 4.08Å; V1072-Q1074 HydrophobicContact CG1-CG 3.97Å; V1072-W1088 CarbonylContact C-O 3.5Å; V1072-W1088 WeakPolarHBondContact CA-O 3.3Å; V1072-I1089 HydrophobicContact CG1-CG1 4.22Å; V1072-I1089 HydrophobicContact CG2-CG1 4.37Å; V1072-I1089 HydrophobicContact CG2-CG2 4.33Å
1073	M	71.9	Confident	66	Low	60.8 Å²	60.8	75.3 Å²	75.3	30%	0.3	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124	166.8	-173.4	-159.3	-167.1	0	0	108.7	V1061 S1062 F1063 F1086 S1087 W1088	V1061-M1073 HydrophobicContact CG1-CE 4Å; V1061-M1073 HydrophobicContact CG1-CG 4.33Å; S1062-M1073 CarbonylContact O-C 3.57Å; S1062-M1073 VanDerWaalsContact O-CA 3.24Å; S1062-M1073 WeakPolarHBondContact O-CA 3.44Å; F1063-M1073 HydrophobicContact CD2-CB 4.36Å; F1063-M1073 HydrophobicContact CD2-CG 4.44Å; F1063-M1073 HydrophobicContact CE1-CB 4.06Å; F1063-M1073 HydrophobicContact CE1-CG 4.31Å; F1063-M1073 HydrophobicContact CE2-CB 4.34Å; F1063-M1073 HydrophobicContact CE2-CE 3.98Å; F1063-M1073 HydrophobicContact CE2-CG 3.73Å; F1063-M1073 HydrophobicContact CZ-CB 3.9Å; F1063-M1073 HydrophobicContact CZ-CE 4.07Å; F1063-M1073 HydrophobicContact CZ-CG 3.66Å; F1063-M1073 HydrophobicContact CZ-SD 4.33Å; M1073-F1086 HydrophobicContact SD-CD1 3.96Å; M1073-F1086 HydrophobicContact SD-CE1 3.97Å; M1073-S1087 CarbonylContact O-C 3.54Å; M1073-S1087 WeakPolarHBondContact O-CA 3.27Å; M1073-W1088 HydrophobicContact CB-CB 4.4Å; M1073-W1088 HydrophobicContact CB-CE3 4.18Å; M1073-W1088 PolarHBondContact N-O 3.22Å; M1073-W1088 VanDerWaalsContact N-O 3.08Å; M1073-W1088 PolarHBondContact O-N 3.14Å; M1073-W1088 VanDerWaalsContact O-N 3.11Å; M1073-W1088 VanDerWaalsContact O-O 3.12Å
1074	Q	73.8	Confident	65.8	Low	61 Å²	61	75 Å²	75	29%	0.285	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.5	173.3	-70.8	177.8	-7.6	0	0	109.2	V1061 S1062 V1072 F1086	V1061-Q1074 CarbonylContact C-O 3.37Å; V1061-Q1074 VanDerWaalsContact CA-O 3.25Å; V1061-Q1074 WeakPolarHBondContact CA-O 3.22Å; S1062-Q1074 PolarHBondContact N-O 3.21Å; S1062-Q1074 VanDerWaalsContact N-O 3.12Å; S1062-Q1074 PolarHBondContact O-N 3.04Å; S1062-Q1074 PolarHBondContact OG-O 2.8Å; V1072-Q1074 HydrophobicContact CG1-CG 3.97Å; Q1074-F1086 CarbonylContact C-O 3.45Å; Q1074-F1086 WeakPolarHBondContact CA-O 3.4Å
1075	A	69.9	Low	65.6	Low	9.2 Å²	9.2	75.6 Å²	75.6	8%	0.076	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.2	171.4	0	0	0	0	0	108.8	L1059 N1060 V1061 F1086	L1059-A1075 HydrophobicContact CD1-CB 4.27Å; L1059-A1075 HydrophobicContact CD2-CB 4.29Å; L1059-A1075 HydrophobicContact CG-CB 4.32Å; N1060-A1075 WeakPolarHBondContact O-CA 3.29Å; V1061-A1075 HydrophobicContact CB-CB 4.44Å; V1061-A1075 HydrophobicContact CG1-CB 4.31Å; V1061-A1075 HydrophobicContact CG2-CB 4.12Å; A1075-F1086 HydrophobicContact CB-CB 4.34Å; A1075-F1086 HydrophobicContact CB-CD1 4.32Å; A1075-F1086 PolarHBondContact N-O 2.83Å; A1075-F1086 VanDerWaalsContact N-O 3.09Å; A1075-F1086 PolarHBondContact O-N 2.89Å; A1075-F1086 VanDerWaalsContact O-N 3.13Å
1076	I	72.5	Confident	65.7	Low	61.8 Å²	61.8	74.2 Å²	74.2	32%	0.317	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121	-177.1	-57.5	171.5	0	0	0	108.3	L1059 N1060 Q1078 F1084 Q1085	L1059-I1076 CarbonylContact C-O 3.47Å; L1059-I1076 WeakPolarHBondContact CA-O 3.07Å; N1060-I1076 HydrophobicContact CB-CB 4.49Å; N1060-I1076 PolarHBondContact N-O 3.07Å; N1060-I1076 PolarHBondContact O-N 3.04Å; N1060-I1076 VanDerWaalsContact O-N 3.08Å; I1076-Q1078 HydrophobicContact CG2-CG 4.21Å; I1076-F1084 CarbonylContact C-O 3.38Å; I1076-F1084 WeakPolarHBondContact CA-O 2.94Å; I1076-Q1085 HydrophobicContact CG1-CB 4.35Å; I1076-Q1085 HydrophobicContact CG1-CG 4.33Å
1077	S	69.8	Low	65.7	Low	4 Å²	4	71.2 Å²	71.2	3%	0.028	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123	167.6	176	0	0	0	0	110	I1057 I1058 A1079 P1083 F1084	I1057-S1077 WeakPolarHBondContact CG2-OG 3.4Å; I1058-S1077 CarbonylContact O-C 3.54Å; I1058-S1077 VanDerWaalsContact O-CA 3.31Å; I1058-S1077 WeakPolarHBondContact O-CA 3.34Å; I1058-S1077 WeakPolarHBondContact O-CB 3.48Å; I1058-S1077 PolarHBondContact O-OG 2.67Å; S1077-A1079 VanDerWaalsContact C-N 3.32Å; S1077-A1079 PolarHBondContact O-N 2.88Å; S1077-A1079 VanDerWaalsContact O-N 3.16Å; S1077-A1079 VanDerWaalsContact OG-CB 3.29Å; S1077-A1079 WeakPolarHBondContact OG-CB 3.4Å; S1077-A1079 PolarHBondContact OG-N 2.94Å; S1077-P1083 WeakPolarHBondContact O-CA 3.27Å; S1077-F1084 VanDerWaalsContact CB-CD1 3.46Å; S1077-F1084 VanDerWaalsContact CB-CE1 3.49Å; S1077-F1084 WeakPolarHBondContact CB-O 3.33Å; S1077-F1084 PolarHBondContact N-O 3.06Å; S1077-F1084 PolarHBondContact O-N 3.07Å
1078	Q	63.6	Low	66.1	Low	132.2 Å²	132.2	69.2 Å²	69.2	62%	0.618	35%	0.347	S	S	*	.			trans	-96.9	31.1	173.1	-65.1	-176.8	-30.2	0	0	111.8	I1058 I1076	I1058-Q1078 HydrophobicContact CB-CB 4.24Å; I1058-Q1078 PolarHBondContact O-N 2.89Å; I1076-Q1078 HydrophobicContact CG2-CG 4.21Å
1079	A	59.7	Low	66.6	Low	18.6 Å²	18.6	66.3 Å²	66.3	15%	0.154	33%	0.331	C	S	.	.			trans	-73.7	137.1	178.4	0	0	0	0	0	111.6	F1056 I1057 S1077 H1081 F1082 P1083	F1056-A1079 WeakPolarHBondContact O-CA 3.49Å; F1056-A1079 WeakPolarHBondContact O-CB 3.47Å; I1057-A1079 HydrophobicContact CB-CB 4.26Å; I1057-A1079 HydrophobicContact CD1-CB 4.16Å; I1057-A1079 HydrophobicContact CG1-CB 3.84Å; I1057-A1079 HydrophobicContact CG2-CB 4.17Å; S1077-A1079 VanDerWaalsContact C-N 3.32Å; S1077-A1079 PolarHBondContact O-N 2.88Å; S1077-A1079 VanDerWaalsContact O-N 3.16Å; S1077-A1079 VanDerWaalsContact OG-CB 3.29Å; S1077-A1079 WeakPolarHBondContact OG-CB 3.4Å; S1077-A1079 PolarHBondContact OG-N 2.94Å; A1079-H1081 PolarHBondContact O-N 2.86Å; A1079-H1081 VanDerWaalsContact O-N 3.11Å; A1079-F1082 CarbonylContact O-C 3.54Å; A1079-F1082 PolarHBondContact O-N 3Å; A1079-F1082 VanDerWaalsContact O-N 3.1Å; A1079-P1083 WeakPolarHBondContact O-CD 3.43Å; A1079-P1083 VanDerWaalsContact O-N 3.16Å
1080	D	57.5	Low	66.6	Low	154.6 Å²	154.6	65.9 Å²	65.9	83%	0.827	33%	0.326	S	S	*	.	S	Bend	trans	-61.5	-23.1	-177	-67.8	-32.9	0	0	0	114.2
1081	H	55.8	Low	66.4	Low	156.2 Å²	156.2	69 Å²	69	72%	0.723	34%	0.336	S	S	*	.	S	Bend	trans	-102.9	-27.1	-172.1	-63.9	-27.6	0	0	0	115	A1079	A1079-H1081 PolarHBondContact O-N 2.86Å; A1079-H1081 VanDerWaalsContact O-N 3.11Å
1082	F	58.4	Low	65.7	Low	135.4 Å²	135.4	69 Å²	69	59%	0.594	34%	0.338	S	S	*	.			trans	-152.5	76	176.4	-75.4	-78.1	0	0	0	110.4	A1079 F1084 V1114	A1079-F1082 CarbonylContact O-C 3.54Å; A1079-F1082 PolarHBondContact O-N 3Å; A1079-F1082 VanDerWaalsContact O-N 3.1Å; F1082-F1084 PolarHBondContact O-N 2.95Å; F1082-V1114 HydrophobicContact CB-CG1 4.21Å; F1082-V1114 HydrophobicContact CD1-CG1 4.37Å; F1082-V1114 HydrophobicContact CD1-CG2 4.48Å; F1082-V1114 HydrophobicContact CE1-CG1 3.87Å; F1082-V1114 HydrophobicContact CE1-CG2 4.43Å
1083	P	63.3	Low	64.6	Low	66.6 Å²	66.6	70.7 Å²	70.7	43%	0.432	35%	0.348	S	S	.	.			trans	-64.5	126.9	170.5	27.1	-32.1	0	0	0	108.9	S1077 A1079 N1113 S1115	S1077-P1083 WeakPolarHBondContact O-CA 3.27Å; A1079-P1083 WeakPolarHBondContact O-CD 3.43Å; A1079-P1083 VanDerWaalsContact O-N 3.16Å; P1083-N1113 WeakPolarHBondContact CD-O 3.31Å; P1083-N1113 HydrophobicContact CG-CB 4.11Å; P1083-N1113 VanDerWaalsContact CG-O 3.25Å; P1083-N1113 WeakPolarHBondContact CG-O 3.24Å; P1083-N1113 PolarHBondContact O-N 2.97Å; P1083-S1115 PolarHBondContact O-N 3.23Å
1084	F	68.8	Low	63.3	Low	68 Å²	68	73.6 Å²	73.6	30%	0.298	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.3	172.1	75.8	-96.4	0	0	0	109.7	L1059 I1076 S1077 F1082 F1086 S1111 F1112 N1113 V1114	L1059-F1084 HydrophobicContact CD1-CE1 3.95Å; L1059-F1084 HydrophobicContact CD1-CE2 4.17Å; L1059-F1084 HydrophobicContact CD1-CZ 3.64Å; L1059-F1084 VanDerWaalsContact CD1-CZ 3.4Å; L1059-F1084 HydrophobicContact CD2-CZ 4.2Å; L1059-F1084 HydrophobicContact CG-CZ 4.41Å; I1076-F1084 CarbonylContact C-O 3.38Å; I1076-F1084 WeakPolarHBondContact CA-O 2.94Å; S1077-F1084 VanDerWaalsContact CB-CD1 3.46Å; S1077-F1084 VanDerWaalsContact CB-CE1 3.49Å; S1077-F1084 WeakPolarHBondContact CB-O 3.33Å; S1077-F1084 PolarHBondContact N-O 3.06Å; S1077-F1084 PolarHBondContact O-N 3.07Å; F1082-F1084 PolarHBondContact O-N 2.95Å; F1084-F1086 HydrophobicContact CD2-CB 4.17Å; F1084-F1086 HydrophobicContact CE2-CB 4.16Å; F1084-S1111 CarbonylContact C-O 3.39Å; F1084-S1111 WeakPolarHBondContact CA-O 3.49Å; F1084-S1111 WeakPolarHBondContact CB-O 3.21Å; F1084-F1112 HydrophobicContact CB-CD1 3.61Å; F1084-F1112 HydrophobicContact CB-CE1 4.02Å; F1084-F1112 HydrophobicContact CB-CE2 4.11Å; F1084-F1112 HydrophobicContact CB-CZ 4.27Å; F1084-F1112 HydrophobicContact CD2-CD2 4.5Å; F1084-F1112 AromaticContact CD2-CE2 3.85Å; F1084-F1112 HydrophobicContact CD2-CE2 3.85Å; F1084-F1112 HydrophobicContact CE2-CE2 4.45Å; F1084-F1112 HydrophobicContact CG-CD1 4.44Å; F1084-F1112 HydrophobicContact CG-CE1 4.39Å; F1084-F1112 AromaticContact CG-CE2 4Å; F1084-F1112 HydrophobicContact CG-CE2 4.17Å; F1084-N1113 CarbonylContact C-O 3.56Å; F1084-N1113 WeakPolarHBondContact CA-O 3.27Å; F1084-V1114 HydrophobicContact CB-CB 4.46Å; F1084-V1114 HydrophobicContact CB-CG2 4.16Å
1085	Q	71.4	Confident	61.7	Low	100 Å²	100	76.8 Å²	76.8	47%	0.467	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.5	170.9	178.3	177.3	-2.6	0	0	108.1	I1076 I1110 S1111 N1113	I1076-Q1085 HydrophobicContact CG1-CB 4.35Å; I1076-Q1085 HydrophobicContact CG1-CG 4.33Å; Q1085-I1110 CarbonylContact O-C 3.52Å; Q1085-I1110 WeakPolarHBondContact O-CA 3.18Å; Q1085-S1111 WeakPolarHBondContact CB-OG 3.17Å; Q1085-S1111 PolarHBondContact N-O 3.24Å; Q1085-S1111 PolarHBondContact O-N 3.31Å; Q1085-N1113 PolarHBondContact N-O 3.14Å; Q1085-N1113 PolarHBondContact O-N 3.33Å
1086	F	70.8	Confident	60.3	Low	67 Å²	67	81 Å²	81	29%	0.294	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.4	167.1	176	-103.6	0	0	0	108.6	M1073 Q1074 A1075 F1084 W1088 T1108 S1109 I1110 F1112	M1073-F1086 HydrophobicContact SD-CD1 3.96Å; M1073-F1086 HydrophobicContact SD-CE1 3.97Å; Q1074-F1086 CarbonylContact C-O 3.45Å; Q1074-F1086 WeakPolarHBondContact CA-O 3.4Å; A1075-F1086 HydrophobicContact CB-CB 4.34Å; A1075-F1086 HydrophobicContact CB-CD1 4.32Å; A1075-F1086 PolarHBondContact N-O 2.83Å; A1075-F1086 VanDerWaalsContact N-O 3.09Å; A1075-F1086 PolarHBondContact O-N 2.89Å; A1075-F1086 VanDerWaalsContact O-N 3.13Å; F1084-F1086 HydrophobicContact CD2-CB 4.17Å; F1084-F1086 HydrophobicContact CE2-CB 4.16Å; F1086-W1088 HydrophobicContact CD1-CB 4.35Å; F1086-W1088 HydrophobicContact CE1-CB 3.88Å; F1086-W1088 HydrophobicContact CE1-CG 4.49Å; F1086-W1088 HydrophobicContact CE2-CB 4.17Å; F1086-W1088 HydrophobicContact CZ-CB 3.91Å; F1086-T1108 HydrophobicContact CE2-CG2 4.24Å; F1086-S1109 CarbonylContact C-O 3.53Å; F1086-S1109 WeakPolarHBondContact CA-O 3.44Å; F1086-S1109 WeakPolarHBondContact CD2-O 3.36Å; F1086-I1110 HydrophobicContact CD2-CD1 4.49Å; F1086-I1110 HydrophobicContact CD2-CG1 3.67Å; F1086-I1110 HydrophobicContact CE2-CG1 4.31Å; F1086-I1110 HydrophobicContact CE2-CG2 3.78Å; F1086-I1110 HydrophobicContact CZ-CG2 4.23Å; F1086-F1112 HydrophobicContact CB-CD2 4.13Å; F1086-F1112 HydrophobicContact CD2-CB 4.49Å; F1086-F1112 HydrophobicContact CD2-CD2 4.15Å
1087	S	69.9	Low	58.6	Low	20.2 Å²	20.2	83.9 Å²	83.9	14%	0.141	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124	169.2	58.9	0	0	0	0	110.1	M1073 T1108 S1109 S1111	M1073-S1087 CarbonylContact O-C 3.54Å; M1073-S1087 WeakPolarHBondContact O-CA 3.27Å; S1087-T1108 CarbonylContact O-C 3.5Å; S1087-T1108 WeakPolarHBondContact O-CA 3.39Å; S1087-S1109 PolarHBondContact N-O 3.24Å; S1087-S1109 PolarHBondContact O-N 2.76Å; S1087-S1111 PolarHBondContact N-O 2.98Å; S1087-S1111 VanDerWaalsContact N-O 3.09Å; S1087-S1111 PolarHBondContact O-N 3.04Å; S1087-S1111 PolarHBondContact OG-OG 3.19Å
1088	W	69.4	Low	56.9	Low	81.2 Å²	81.2	87.7 Å²	87.7	31%	0.308	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.1	167.9	178.7	53.4	0	0	0	108.5	I1071 V1072 M1073 F1086 N1090 Q1107 T1108 S1109 I1110	I1071-W1088 HydrophobicContact CB-CZ3 4.4Å; I1071-W1088 HydrophobicContact CG2-CE3 4.33Å; I1071-W1088 HydrophobicContact CG2-CH2 4.23Å; I1071-W1088 HydrophobicContact CG2-CZ3 3.81Å; V1072-W1088 CarbonylContact C-O 3.5Å; V1072-W1088 WeakPolarHBondContact CA-O 3.3Å; M1073-W1088 HydrophobicContact CB-CB 4.4Å; M1073-W1088 HydrophobicContact CB-CE3 4.18Å; M1073-W1088 PolarHBondContact N-O 3.22Å; M1073-W1088 VanDerWaalsContact N-O 3.08Å; M1073-W1088 PolarHBondContact O-N 3.14Å; M1073-W1088 VanDerWaalsContact O-N 3.11Å; M1073-W1088 VanDerWaalsContact O-O 3.12Å; F1086-W1088 HydrophobicContact CD1-CB 4.35Å; F1086-W1088 HydrophobicContact CE1-CB 3.88Å; F1086-W1088 HydrophobicContact CE1-CG 4.49Å; F1086-W1088 HydrophobicContact CE2-CB 4.17Å; F1086-W1088 HydrophobicContact CZ-CB 3.91Å; W1088-N1090 HydrophobicContact CD2-CB 4.19Å; W1088-N1090 HydrophobicContact CE3-CB 4.13Å; W1088-N1090 HydrophobicContact CH2-CB 4.07Å; W1088-N1090 WeakPolarHBondContact CH2-ND2 3.44Å; W1088-N1090 HydrophobicContact CZ2-CB 3.71Å; W1088-N1090 WeakPolarHBondContact CZ2-ND2 3.12Å; W1088-N1090 HydrophobicContact CZ3-CB 4Å; W1088-N1090 PolarHBondContact O-N 3.34Å; W1088-Q1107 CarbonylContact C-O 3.51Å; W1088-Q1107 WeakPolarHBondContact CA-O 2.98Å; W1088-T1108 HydrophobicContact CB-CG2 4.37Å; W1088-T1108 HydrophobicContact CG-CG2 4.25Å; W1088-T1108 HydrophobicContact CZ2-CG2 4.41Å; W1088-S1109 WeakPolarHBondContact CA-O 3.44Å; W1088-I1110 HydrophobicContact CG-CG1 4.47Å
1089	I	68.6	Low	55.5	Low	58.4 Å²	58.4	89.8 Å²	89.8	30%	0.299	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.2	175.2	-55.5	174.9	0	0	0	106.5	L1070 I1071 V1072 Y1091 F1106 Q1107 T1108 S1109	L1070-I1089 HydrophobicContact CD1-CG2 3.92Å; L1070-I1089 VanDerWaalsContact CD1-CG2 3.49Å; I1071-I1089 CarbonylContact O-C 3.47Å; I1071-I1089 VanDerWaalsContact O-CA 3.27Å; I1071-I1089 WeakPolarHBondContact O-CA 3.39Å; V1072-I1089 HydrophobicContact CG1-CG1 4.22Å; V1072-I1089 HydrophobicContact CG2-CG1 4.37Å; V1072-I1089 HydrophobicContact CG2-CG2 4.33Å; I1089-Y1091 HydrophobicContact CG2-CD2 4.03Å; I1089-Y1091 VanDerWaalsContact CG2-CD2 3.49Å; I1089-Y1091 HydrophobicContact CG2-CE2 3.72Å; I1089-Y1091 PolarHBondContact O-N 3.08Å; I1089-F1106 CarbonylContact O-C 3.59Å; I1089-F1106 WeakPolarHBondContact O-CA 3.17Å; I1089-Q1107 HydrophobicContact CB-CB 4.14Å; I1089-Q1107 PolarHBondContact N-O 2.82Å; I1089-Q1107 PolarHBondContact O-N 3.49Å; I1089-T1108 WeakPolarHBondContact O-CA 3.43Å; I1089-S1109 PolarHBondContact N-O 2.92Å; I1089-S1109 PolarHBondContact O-N 3.35Å
1090	N	61.3	Low	54.3	Low	26.8 Å²	26.8	97.7 Å²	97.7	14%	0.143	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	113.6	176.5	-167.9	16.2	0	0	0	109.2	L1070 I1071 W1088 V1092 N1104 A1105 F1106 Q1107 T1108	L1070-N1090 CarbonylContact C-O 3.47Å; L1070-N1090 WeakPolarHBondContact CA-O 3.33Å; I1071-N1090 HydrophobicContact CB-CB 4.39Å; I1071-N1090 PolarHBondContact N-O 3.12Å; I1071-N1090 VanDerWaalsContact N-O 3.14Å; I1071-N1090 CarbonylContact O-C 3.4Å; I1071-N1090 PolarHBondContact O-N 3Å; W1088-N1090 HydrophobicContact CD2-CB 4.19Å; W1088-N1090 HydrophobicContact CE3-CB 4.13Å; W1088-N1090 HydrophobicContact CH2-CB 4.07Å; W1088-N1090 WeakPolarHBondContact CH2-ND2 3.44Å; W1088-N1090 HydrophobicContact CZ2-CB 3.71Å; W1088-N1090 WeakPolarHBondContact CZ2-ND2 3.12Å; W1088-N1090 HydrophobicContact CZ3-CB 4Å; W1088-N1090 PolarHBondContact O-N 3.34Å; N1090-V1092 PolarHBondContact O-N 2.87Å; N1090-N1104 WeakPolarHBondContact OD1-CB 3.42Å; N1090-A1105 CarbonylContact C-O 3.44Å; N1090-A1105 WeakPolarHBondContact CA-O 3.27Å; N1090-F1106 HydrophobicContact CB-CB 4.17Å; N1090-Q1107 WeakPolarHBondContact CA-O 3.44Å; N1090-Q1107 PolarHBondContact OD1-O 3.04Å; N1090-T1108 HydrophobicContact CB-CG2 4.12Å; N1090-T1108 WeakPolarHBondContact OD1-CG2 3.24Å
1091	Y	59.2	Low	53.3	Low	105.4 Å²	105.4	96.4 Å²	96.4	41%	0.413	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	109.3	169.6	-108.8	-100.3	0	0	0	108.5	L1070 I1089 T1093 N1104 A1105 F1106 Q1107 T1129	L1070-Y1091 HydrophobicContact CB-CD1 4.28Å; L1070-Y1091 HydrophobicContact CB-CD2 4.02Å; L1070-Y1091 HydrophobicContact CB-CE1 4.47Å; L1070-Y1091 HydrophobicContact CB-CE2 4.23Å; L1070-Y1091 HydrophobicContact CD1-CD1 3.73Å; L1070-Y1091 VanDerWaalsContact CD1-CD1 3.46Å; L1070-Y1091 HydrophobicContact CD1-CD2 4.04Å; L1070-Y1091 HydrophobicContact CD1-CE1 3.44Å; L1070-Y1091 VanDerWaalsContact CD1-CE1 3.43Å; L1070-Y1091 HydrophobicContact CD1-CE2 4.04Å; L1070-Y1091 HydrophobicContact CD1-CG 4.15Å; L1070-Y1091 HydrophobicContact CD2-CE1 4.3Å; L1070-Y1091 HydrophobicContact CG-CD2 4.17Å; L1070-Y1091 HydrophobicContact CG-CE1 4.39Å; I1089-Y1091 HydrophobicContact CG2-CD2 4.03Å; I1089-Y1091 VanDerWaalsContact CG2-CD2 3.49Å; I1089-Y1091 HydrophobicContact CG2-CE2 3.72Å; I1089-Y1091 PolarHBondContact O-N 3.08Å; Y1091-T1093 HydrophobicContact CD1-CG2 3.89Å; Y1091-T1093 HydrophobicContact CE1-CG2 3.24Å; Y1091-T1093 HydrophobicContact CG-CG2 4.41Å; Y1091-T1093 PolarHBondContact O-N 2.84Å; Y1091-T1093 PolarHBondContact O-OG1 3.29Å; Y1091-N1104 WeakPolarHBondContact O-CA 3.07Å; Y1091-A1105 HydrophobicContact CD2-CB 4.39Å; Y1091-A1105 PolarHBondContact N-O 2.69Å; Y1091-A1105 PolarHBondContact O-N 3.16Å; Y1091-F1106 VanDerWaalsContact O-CA 3.28Å; Y1091-F1106 WeakPolarHBondContact O-CA 3.1Å; Y1091-Q1107 PolarHBondContact N-O 2.95Å; Y1091-Q1107 PolarHBondContact O-N 3.02Å; Y1091-T1129 HydrophobicContact CG-CG2 4.48Å
1092	V	52.3	Low	52.5	Low	43.4 Å²	43.4	92.3 Å²	92.3	26%	0.263	48%	0.477	S	S	.	.			trans	-99.7	106.2	168.4	-177.2	0	0	0	0	107.2	S1069 I1071 N1090 N1094 N1104 F1106	S1069-V1092 CarbonylContact C-O 3.44Å; S1069-V1092 WeakPolarHBondContact CA-O 3.43Å; S1069-V1092 VanDerWaalsContact CB-O 3.28Å; S1069-V1092 WeakPolarHBondContact CB-O 3.42Å; S1069-V1092 CarbonylContact O-C 3.52Å; S1069-V1092 PolarHBondContact O-N 3.04Å; S1069-V1092 PolarHBondContact OG-O 2.96Å; S1069-V1092 VanDerWaalsContact OG-O 3.06Å; I1071-V1092 HydrophobicContact CD1-CG2 3.81Å; I1071-V1092 HydrophobicContact CG1-CG2 4.25Å; N1090-V1092 PolarHBondContact O-N 2.87Å; V1092-N1094 PolarHBondContact O-N 3.12Å; V1092-N1104 HydrophobicContact CG1-CB 3.94Å; V1092-N1104 VanDerWaalsContact CG1-ND2 3.3Å; V1092-N1104 WeakPolarHBondContact CG1-ND2 3.5Å; V1092-F1106 HydrophobicContact CG2-CB 4.33Å
1093	T	49.8	Very low	51.6	Low	54 Å²	54	91.3 Å²	91.3	33%	0.331	48%	0.476	S	S	.	.			trans	-78.6	109.8	169.2	48	0	0	0	0	109.4	Y1091 Q1095 P1096 A1105	Y1091-T1093 HydrophobicContact CD1-CG2 3.89Å; Y1091-T1093 HydrophobicContact CE1-CG2 3.24Å; Y1091-T1093 HydrophobicContact CG-CG2 4.41Å; Y1091-T1093 PolarHBondContact O-N 2.84Å; Y1091-T1093 PolarHBondContact O-OG1 3.29Å; T1093-Q1095 VanDerWaalsContact CA-N 3.31Å; T1093-Q1095 WeakPolarHBondContact CA-O 3.43Å; T1093-Q1095 VanDerWaalsContact CB-CA 3.47Å; T1093-Q1095 WeakPolarHBondContact CB-O 3.04Å; T1093-Q1095 WeakPolarHBondContact CG2-O 3.05Å; T1093-Q1095 PolarHBondContact O-N 3Å; T1093-P1096 VanDerWaalsContact CG2-N 3.32Å; T1093-P1096 WeakPolarHBondContact CG2-O 3.4Å; T1093-A1105 PolarHBondContact N-O 3.07Å; T1093-A1105 VanDerWaalsContact N-O 3.12Å; T1093-A1105 WeakPolarHBondContact OG1-CB 3.39Å; T1093-A1105 PolarHBondContact OG1-O 2.94Å
1094	N	43.2	Very low	50.7	Low	122.2 Å²	122.2	92.5 Å²	92.5	65%	0.653	48%	0.479	S	S	*	.			trans	-80.2	68.3	165.1	-80	-16.5	0	0	0	109.7	S1069 V1092 N1104	S1069-N1094 PolarHBondContact OG-ND2 2.76Å; V1092-N1094 PolarHBondContact O-N 3.12Å; N1094-N1104 PolarHBondContact OD1-ND2 3.02Å
1095	Q	40.2	Very low	49.7	Very low	127 Å²	127	90.9 Å²	90.9	59%	0.593	48%	0.478	S	S	*	.			trans	-94.2	131.7	173.9	-72.8	-162.5	-6.2	0	0	111.8	T1093 N1097 E1130	T1093-Q1095 VanDerWaalsContact CA-N 3.31Å; T1093-Q1095 WeakPolarHBondContact CA-O 3.43Å; T1093-Q1095 VanDerWaalsContact CB-CA 3.47Å; T1093-Q1095 WeakPolarHBondContact CB-O 3.04Å; T1093-Q1095 WeakPolarHBondContact CG2-O 3.05Å; T1093-Q1095 PolarHBondContact O-N 3Å; Q1095-N1097 VanDerWaalsContact C-N 3.29Å; Q1095-N1097 PolarHBondContact O-N 2.98Å; Q1095-N1097 VanDerWaalsContact O-N 3.16Å; Q1095-E1130 PolarHBondContact NE2-OE1 3.27Å
1096	P	40.8	Very low	48.9	Very low	97.4 Å²	97.4	90 Å²	90	63%	0.632	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.5	-155.8	19.7	-18.5	0	0	0	114.9	T1093 L1098	T1093-P1096 VanDerWaalsContact CG2-N 3.32Å; T1093-P1096 WeakPolarHBondContact CG2-O 3.4Å; P1096-L1098 PolarHBondContact O-N 3.11Å
1097	N	37.8	Very low	48.3	Very low	124 Å²	124	91.6 Å²	91.6	66%	0.663	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	12.1	-176	-68.9	-11.1	0	0	0	117.3	Q1095 K1099 D1131	Q1095-N1097 VanDerWaalsContact C-N 3.29Å; Q1095-N1097 PolarHBondContact O-N 2.98Å; Q1095-N1097 VanDerWaalsContact O-N 3.16Å; N1097-K1099 PolarHBondContact O-N 3.07Å; N1097-D1131 VanDerWaalsContact CB-OD1 3.31Å; N1097-D1131 WeakPolarHBondContact CB-OD1 3.23Å; N1097-D1131 VanDerWaalsContact ND2-CA 3.3Å; N1097-D1131 WeakPolarHBondContact ND2-CA 3.43Å; N1097-D1131 PolarHBondContact ND2-O 2.87Å; N1097-D1131 PolarHBondContact ND2-OD1 3.27Å
1098	L	32.2	Very low	47.9	Very low	82.8 Å²	82.8	92 Å²	92	43%	0.434	48%	0.482	S	S	.	.			trans	-96.7	69.1	174.1	-78.5	150.6	0	0	0	112.3	P1096 M1100 L1101 G1102 L1126 S1128	P1096-L1098 PolarHBondContact O-N 3.11Å; L1098-M1100 PolarHBondContact O-N 3.27Å; L1098-M1100 VanDerWaalsContact O-N 3.13Å; L1098-L1101 HydrophobicContact CD2-CB 4.3Å; L1098-L1101 PolarHBondContact O-N 2.87Å; L1098-G1102 PolarHBondContact O-N 3.14Å; L1098-L1126 HydrophobicContact CD2-CD1 4.13Å; L1098-L1126 HydrophobicContact CD2-CD2 3.75Å; L1098-L1126 HydrophobicContact CD2-CG 4.26Å; L1098-S1128 WeakPolarHBondContact CD1-OG 3.47Å; L1098-S1128 WeakPolarHBondContact CD2-OG 3.4Å; L1098-S1128 WeakPolarHBondContact O-CB 3.29Å; L1098-S1128 PolarHBondContact O-OG 2.79Å
1099	K	35.7	Very low	47.7	Very low	175.8 Å²	175.8	89.6 Å²	89.6	76%	0.764	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.5	174.6	-93.1	-174.8	175	179.1	0	117.2	N1097 S1128 E1130	N1097-K1099 PolarHBondContact O-N 3.07Å; K1099-S1128 WeakPolarHBondContact CE-O 3.26Å; K1099-S1128 VanDerWaalsContact CG-O 3.31Å; K1099-S1128 WeakPolarHBondContact CG-O 3.32Å; K1099-S1128 WeakPolarHBondContact CG-OG 3.42Å; K1099-E1130 VanDerWaalsContact NZ-CA 3.31Å; K1099-E1130 IonicContact NZ-OE1 2.72Å; K1099-E1130 PolarHBondContact NZ-OE1 3.44Å
1100	M	34.9	Very low	47.6	Very low	185.8 Å²	185.8	89.4 Å²	89.4	92%	0.915	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-2.7	-175.2	-99	-178.8	87.8	0	0	115.6	L1098	L1098-M1100 PolarHBondContact O-N 3.27Å; L1098-M1100 VanDerWaalsContact O-N 3.13Å
1101	L	34.5	Very low	47.9	Very low	127.8 Å²	127.8	89.9 Å²	89.9	67%	0.669	48%	0.482	S	S	*	.			trans	-134.3	93.3	174.6	-83.7	163.1	0	0	0	108.9	L1098 M1103	L1098-L1101 HydrophobicContact CD2-CB 4.3Å; L1098-L1101 PolarHBondContact O-N 2.87Å; L1101-M1103 VanDerWaalsContact C-N 3.32Å; L1101-M1103 HydrophobicContact CB-CB 4.35Å; L1101-M1103 HydrophobicContact CD2-CG 4.45Å; L1101-M1103 PolarHBondContact O-N 3.16Å; L1101-M1103 VanDerWaalsContact O-N 3.09Å
1102	G	39	Very low	48.2	Very low	69.4 Å²	69.4	87.9 Å²	87.9	72%	0.715	48%	0.476	S	S	*	.			trans	-51.1	51.6	174.6	0	0	0	0	0	113.6	L1098 N1104	L1098-G1102 PolarHBondContact O-N 3.14Å; G1102-N1104 PolarHBondContact O-N 2.9Å; G1102-N1104 VanDerWaalsContact O-N 3.09Å; G1102-N1104 PolarHBondContact O-OD1 3.47Å
1103	M	39.5	Very low	48.6	Very low	113.8 Å²	113.8	88.7 Å²	88.7	56%	0.561	48%	0.479	S	S	*	.			trans	-77.8	103.7	171	-76.8	-171	164.7	0	0	109.8	L1101 A1105 F1106 L1126 S1128 Y1137	L1101-M1103 VanDerWaalsContact C-N 3.32Å; L1101-M1103 HydrophobicContact CB-CB 4.35Å; L1101-M1103 HydrophobicContact CD2-CG 4.45Å; L1101-M1103 PolarHBondContact O-N 3.16Å; L1101-M1103 VanDerWaalsContact O-N 3.09Å; M1103-A1105 PolarHBondContact O-N 2.83Å; M1103-F1106 HydrophobicContact SD-CB 4Å; M1103-L1126 HydrophobicContact CB-CD2 4.07Å; M1103-L1126 HydrophobicContact SD-CD1 4.19Å; M1103-S1128 PolarHBondContact O-OG 3.09Å; M1103-Y1137 WeakPolarHBondContact CE-OH 3.12Å; M1103-Y1137 PolarHBondContact SD-OH 2.79Å; M1103-Y1137 VanDerWaalsContact SD-OH 3.38Å
1104	N	46	Very low	49.1	Very low	91.8 Å²	91.8	87.5 Å²	87.5	49%	0.491	47%	0.472	S	S	.	.			trans	-66.7	123.3	168.1	-67.8	-11.4	0	0	0	109	N1090 Y1091 V1092 N1094 G1102 F1106	N1090-N1104 WeakPolarHBondContact OD1-CB 3.42Å; Y1091-N1104 WeakPolarHBondContact O-CA 3.07Å; V1092-N1104 HydrophobicContact CG1-CB 3.94Å; V1092-N1104 VanDerWaalsContact CG1-ND2 3.3Å; V1092-N1104 WeakPolarHBondContact CG1-ND2 3.5Å; N1094-N1104 PolarHBondContact OD1-ND2 3.02Å; G1102-N1104 PolarHBondContact O-N 2.9Å; G1102-N1104 VanDerWaalsContact O-N 3.09Å; G1102-N1104 PolarHBondContact O-OD1 3.47Å; N1104-F1106 WeakPolarHBondContact O-CD1 3.31Å; N1104-F1106 PolarHBondContact O-N 3.25Å
1105	A	48.2	Very low	50	Low	33.8 Å²	33.8	83.6 Å²	83.6	28%	0.279	45%	0.454	S	S	.	.			trans	-75.2	118.9	170.2	0	0	0	0	0	110.9	N1090 Y1091 T1093 M1103 Q1107 L1126 S1128 T1129	N1090-A1105 CarbonylContact C-O 3.44Å; N1090-A1105 WeakPolarHBondContact CA-O 3.27Å; Y1091-A1105 HydrophobicContact CD2-CB 4.39Å; Y1091-A1105 PolarHBondContact N-O 2.69Å; Y1091-A1105 PolarHBondContact O-N 3.16Å; T1093-A1105 PolarHBondContact N-O 3.07Å; T1093-A1105 VanDerWaalsContact N-O 3.12Å; T1093-A1105 WeakPolarHBondContact OG1-CB 3.39Å; T1093-A1105 PolarHBondContact OG1-O 2.94Å; M1103-A1105 PolarHBondContact O-N 2.83Å; A1105-Q1107 HydrophobicContact CB-CG 4.37Å; A1105-L1126 CarbonylContact C-O 3.42Å; A1105-L1126 VanDerWaalsContact CA-O 3.28Å; A1105-L1126 WeakPolarHBondContact CA-O 3.37Å; A1105-L1126 VanDerWaalsContact CB-O 3.31Å; A1105-L1126 WeakPolarHBondContact CB-O 3.35Å; A1105-S1128 WeakPolarHBondContact CA-OG 3.4Å; A1105-S1128 WeakPolarHBondContact CB-OG 3.42Å; A1105-S1128 PolarHBondContact N-OG 2.75Å; A1105-T1129 HydrophobicContact CB-CG2 3.54Å
1106	F	54.2	Low	50.8	Low	81.8 Å²	81.8	83.7 Å²	83.7	36%	0.359	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.9	171.5	115.3	-96.3	0	0	0	110.1	I1089 N1090 Y1091 V1092 M1103 N1104 T1108 F1124 N1125 L1126	I1089-F1106 CarbonylContact O-C 3.59Å; I1089-F1106 WeakPolarHBondContact O-CA 3.17Å; N1090-F1106 HydrophobicContact CB-CB 4.17Å; Y1091-F1106 VanDerWaalsContact O-CA 3.28Å; Y1091-F1106 WeakPolarHBondContact O-CA 3.1Å; V1092-F1106 HydrophobicContact CG2-CB 4.33Å; M1103-F1106 HydrophobicContact SD-CB 4Å; N1104-F1106 WeakPolarHBondContact O-CD1 3.31Å; N1104-F1106 PolarHBondContact O-N 3.25Å; F1106-T1108 HydrophobicContact CD1-CG2 4.25Å; F1106-T1108 HydrophobicContact CD2-CG2 4.07Å; F1106-T1108 HydrophobicContact CE1-CG2 3.31Å; F1106-T1108 HydrophobicContact CE2-CG2 4.14Å; F1106-T1108 HydrophobicContact CZ-CG2 3.41Å; F1106-F1124 HydrophobicContact CD1-CD1 4.38Å; F1106-F1124 HydrophobicContact CD2-CD1 4.18Å; F1106-F1124 HydrophobicContact CD2-CE1 4.36Å; F1106-F1124 HydrophobicContact CE1-CD1 4.14Å; F1106-F1124 AromaticContact CE1-CE1 3.69Å; F1106-F1124 HydrophobicContact CE1-CE1 4.01Å; F1106-F1124 AromaticContact CE2-CD1 3.51Å; F1106-F1124 HydrophobicContact CE2-CD1 3.51Å; F1106-F1124 AromaticContact CE2-CE1 3.49Å; F1106-F1124 HydrophobicContact CE2-CE1 3.68Å; F1106-F1124 VanDerWaalsContact CE2-CE1 3.48Å; F1106-F1124 AromaticContact CZ-CD1 3.72Å; F1106-F1124 HydrophobicContact CZ-CD1 3.72Å; F1106-F1124 AromaticContact CZ-CE1 3.36Å; F1106-F1124 HydrophobicContact CZ-CE1 3.36Å; F1106-F1124 HydrophobicContact CZ-CZ 4.36Å; F1106-N1125 CarbonylContact O-C 3.44Å; F1106-N1125 WeakPolarHBondContact O-CA 3.26Å; F1106-L1126 HydrophobicContact CD1-CB 4.2Å; F1106-L1126 HydrophobicContact CD1-CD1 4.02Å; F1106-L1126 HydrophobicContact CE1-CB 4.35Å; F1106-L1126 HydrophobicContact CE1-CD1 4.09Å; F1106-L1126 PolarHBondContact N-O 2.73Å; F1106-L1126 PolarHBondContact O-N 3.01Å; F1106-L1126 VanDerWaalsContact O-N 3.12Å
1107	Q	57.1	Low	51.4	Low	101.4 Å²	101.4	83.2 Å²	83.2	47%	0.474	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	109.3	175.9	-140.2	177.7	3.8	0	0	108.9	W1088 I1089 N1090 Y1091 A1105 S1109 F1124 N1125	W1088-Q1107 CarbonylContact C-O 3.51Å; W1088-Q1107 WeakPolarHBondContact CA-O 2.98Å; I1089-Q1107 HydrophobicContact CB-CB 4.14Å; I1089-Q1107 PolarHBondContact N-O 2.82Å; I1089-Q1107 PolarHBondContact O-N 3.49Å; N1090-Q1107 WeakPolarHBondContact CA-O 3.44Å; N1090-Q1107 PolarHBondContact OD1-O 3.04Å; Y1091-Q1107 PolarHBondContact N-O 2.95Å; Y1091-Q1107 PolarHBondContact O-N 3.02Å; A1105-Q1107 HydrophobicContact CB-CG 4.37Å; Q1107-S1109 PolarHBondContact O-N 3.35Å; Q1107-F1124 CarbonylContact C-O 3.43Å; Q1107-F1124 VanDerWaalsContact CA-O 3.26Å; Q1107-F1124 WeakPolarHBondContact CA-O 3.29Å; Q1107-N1125 HydrophobicContact CB-CB 4.38Å; Q1107-N1125 VanDerWaalsContact CB-OD1 3.26Å; Q1107-N1125 WeakPolarHBondContact CB-OD1 3.24Å; Q1107-N1125 VanDerWaalsContact CD-OD1 3.29Å; Q1107-N1125 HydrophobicContact CG-CB 3.98Å; Q1107-N1125 VanDerWaalsContact CG-OD1 3.3Å; Q1107-N1125 WeakPolarHBondContact CG-OD1 3.33Å; Q1107-N1125 PolarHBondContact NE2-OD1 3.34Å
1108	T	62.2	Low	52.3	Low	27.4 Å²	27.4	79.3 Å²	79.3	17%	0.168	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.4	163.4	48	0	0	0	0	108.8	F1086 S1087 W1088 I1089 N1090 F1106 I1110 W1122 S1123 F1124	F1086-T1108 HydrophobicContact CE2-CG2 4.24Å; S1087-T1108 CarbonylContact O-C 3.5Å; S1087-T1108 WeakPolarHBondContact O-CA 3.39Å; W1088-T1108 HydrophobicContact CB-CG2 4.37Å; W1088-T1108 HydrophobicContact CG-CG2 4.25Å; W1088-T1108 HydrophobicContact CZ2-CG2 4.41Å; I1089-T1108 WeakPolarHBondContact O-CA 3.43Å; N1090-T1108 HydrophobicContact CB-CG2 4.12Å; N1090-T1108 WeakPolarHBondContact OD1-CG2 3.24Å; F1106-T1108 HydrophobicContact CD1-CG2 4.25Å; F1106-T1108 HydrophobicContact CD2-CG2 4.07Å; F1106-T1108 HydrophobicContact CE1-CG2 3.31Å; F1106-T1108 HydrophobicContact CE2-CG2 4.14Å; F1106-T1108 HydrophobicContact CZ-CG2 3.41Å; T1108-I1110 PolarHBondContact O-N 2.74Å; T1108-W1122 WeakPolarHBondContact OG1-CH2 3.19Å; T1108-W1122 WeakPolarHBondContact OG1-CZ3 3.29Å; T1108-S1123 CarbonylContact O-C 3.41Å; T1108-S1123 VanDerWaalsContact O-CA 3.29Å; T1108-S1123 WeakPolarHBondContact O-CA 3.31Å; T1108-F1124 PolarHBondContact N-O 3.18Å; T1108-F1124 VanDerWaalsContact N-O 3.15Å; T1108-F1124 PolarHBondContact O-N 2.95Å; T1108-F1124 VanDerWaalsContact O-O 3.08Å; T1108-F1124 WeakPolarHBondContact OG1-CB 3.43Å
1109	S	64.5	Low	53.7	Low	31.8 Å²	31.8	78.2 Å²	78.2	22%	0.222	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.2	165.7	62.2	0	0	0	0	109.6	F1086 S1087 W1088 I1089 Q1107 S1111 W1122	F1086-S1109 CarbonylContact C-O 3.53Å; F1086-S1109 WeakPolarHBondContact CA-O 3.44Å; F1086-S1109 WeakPolarHBondContact CD2-O 3.36Å; S1087-S1109 PolarHBondContact N-O 3.24Å; S1087-S1109 PolarHBondContact O-N 2.76Å; W1088-S1109 WeakPolarHBondContact CA-O 3.44Å; I1089-S1109 PolarHBondContact N-O 2.92Å; I1089-S1109 PolarHBondContact O-N 3.35Å; Q1107-S1109 PolarHBondContact O-N 3.35Å; S1109-S1111 PolarHBondContact O-N 2.81Å; S1109-W1122 CarbonylContact C-O 3.54Å; S1109-W1122 VanDerWaalsContact CA-O 3.3Å; S1109-W1122 WeakPolarHBondContact CA-O 3.26Å; S1109-W1122 WeakPolarHBondContact CB-O 3.28Å
1110	I	66.3	Low	55	Low	53.8 Å²	53.8	72.2 Å²	72.2	28%	0.276	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.6	168.6	-64.2	170.9	0	0	0	106.1	Q1085 F1086 W1088 T1108 F1112 Y1121 W1122	Q1085-I1110 CarbonylContact O-C 3.52Å; Q1085-I1110 WeakPolarHBondContact O-CA 3.18Å; F1086-I1110 HydrophobicContact CD2-CD1 4.49Å; F1086-I1110 HydrophobicContact CD2-CG1 3.67Å; F1086-I1110 HydrophobicContact CE2-CG1 4.31Å; F1086-I1110 HydrophobicContact CE2-CG2 3.78Å; F1086-I1110 HydrophobicContact CZ-CG2 4.23Å; W1088-I1110 HydrophobicContact CG-CG1 4.47Å; T1108-I1110 PolarHBondContact O-N 2.74Å; I1110-F1112 HydrophobicContact CG2-CD2 3.81Å; I1110-F1112 HydrophobicContact CG2-CE1 4.24Å; I1110-F1112 HydrophobicContact CG2-CE2 3.29Å; I1110-F1112 HydrophobicContact CG2-CG 4.49Å; I1110-F1112 HydrophobicContact CG2-CZ 3.53Å; I1110-F1112 PolarHBondContact O-N 2.87Å; I1110-Y1121 CarbonylContact O-C 3.51Å; I1110-W1122 HydrophobicContact CB-CB 4.32Å; I1110-W1122 HydrophobicContact CB-CE3 4.47Å; I1110-W1122 HydrophobicContact CD1-CE3 3.79Å; I1110-W1122 HydrophobicContact CD1-CZ3 4.06Å; I1110-W1122 HydrophobicContact CG1-CE3 4.14Å; I1110-W1122 PolarHBondContact N-O 3.06Å; I1110-W1122 PolarHBondContact O-N 3.12Å; I1110-W1122 VanDerWaalsContact O-N 3.12Å
1111	S	67.9	Low	56.5	Low	36.4 Å²	36.4	68.4 Å²	68.4	26%	0.255	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.2	169.5	61.6	0	0	0	0	110.2	F1084 Q1085 S1087 S1109 N1113 I1120	F1084-S1111 CarbonylContact C-O 3.39Å; F1084-S1111 WeakPolarHBondContact CA-O 3.49Å; F1084-S1111 WeakPolarHBondContact CB-O 3.21Å; Q1085-S1111 WeakPolarHBondContact CB-OG 3.17Å; Q1085-S1111 PolarHBondContact N-O 3.24Å; Q1085-S1111 PolarHBondContact O-N 3.31Å; S1087-S1111 PolarHBondContact N-O 2.98Å; S1087-S1111 VanDerWaalsContact N-O 3.09Å; S1087-S1111 PolarHBondContact O-N 3.04Å; S1087-S1111 PolarHBondContact OG-OG 3.19Å; S1109-S1111 PolarHBondContact O-N 2.81Å; S1111-N1113 PolarHBondContact O-N 3.22Å; S1111-I1120 CarbonylContact C-O 3.47Å; S1111-I1120 VanDerWaalsContact CA-O 3.28Å; S1111-I1120 WeakPolarHBondContact CA-O 3.37Å
1112	F	65.7	Low	57.8	Low	65 Å²	65	67.5 Å²	67.5	29%	0.285	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.6	170.6	-161.6	-102.2	0	0	0	107.8	F1084 F1086 I1110 V1114 L1118 N1119 I1120	F1084-F1112 HydrophobicContact CB-CD1 3.61Å; F1084-F1112 HydrophobicContact CB-CE1 4.02Å; F1084-F1112 HydrophobicContact CB-CE2 4.11Å; F1084-F1112 HydrophobicContact CB-CZ 4.27Å; F1084-F1112 HydrophobicContact CD2-CD2 4.5Å; F1084-F1112 AromaticContact CD2-CE2 3.85Å; F1084-F1112 HydrophobicContact CD2-CE2 3.85Å; F1084-F1112 HydrophobicContact CE2-CE2 4.45Å; F1084-F1112 HydrophobicContact CG-CD1 4.44Å; F1084-F1112 HydrophobicContact CG-CE1 4.39Å; F1084-F1112 AromaticContact CG-CE2 4Å; F1084-F1112 HydrophobicContact CG-CE2 4.17Å; F1086-F1112 HydrophobicContact CB-CD2 4.13Å; F1086-F1112 HydrophobicContact CD2-CB 4.49Å; F1086-F1112 HydrophobicContact CD2-CD2 4.15Å; I1110-F1112 HydrophobicContact CG2-CD2 3.81Å; I1110-F1112 HydrophobicContact CG2-CE1 4.24Å; I1110-F1112 HydrophobicContact CG2-CE2 3.29Å; I1110-F1112 HydrophobicContact CG2-CG 4.49Å; I1110-F1112 HydrophobicContact CG2-CZ 3.53Å; I1110-F1112 PolarHBondContact O-N 2.87Å; F1112-V1114 HydrophobicContact CD1-CG2 3.79Å; F1112-V1114 VanDerWaalsContact CD1-CG2 3.47Å; F1112-V1114 HydrophobicContact CE1-CB 4.45Å; F1112-V1114 HydrophobicContact CE1-CG2 3.09Å; F1112-V1114 HydrophobicContact CE2-CG2 4.18Å; F1112-V1114 HydrophobicContact CG-CG2 4.37Å; F1112-V1114 HydrophobicContact CZ-CG2 3.32Å; F1112-V1114 VanDerWaalsContact CZ-CG2 3.46Å; F1112-L1118 CarbonylContact C-O 3.57Å; F1112-L1118 HydrophobicContact CD1-CB 4.02Å; F1112-L1118 HydrophobicContact CD1-CD2 3.76Å; F1112-L1118 VanDerWaalsContact CD1-CD2 3.44Å; F1112-L1118 HydrophobicContact CD1-CG 4.28Å; F1112-L1118 HydrophobicContact CE1-CB 3.97Å; F1112-L1118 HydrophobicContact CE1-CD2 3.76Å; F1112-L1118 HydrophobicContact CE1-CG 4.21Å; F1112-N1119 CarbonylContact O-C 3.54Å; F1112-N1119 WeakPolarHBondContact O-CA 3.31Å; F1112-I1120 HydrophobicContact CB-CB 4.26Å; F1112-I1120 HydrophobicContact CB-CD1 4.36Å; F1112-I1120 HydrophobicContact CB-CG1 4.43Å; F1112-I1120 HydrophobicContact CD1-CD1 4.18Å; F1112-I1120 HydrophobicContact CD1-CG1 4.42Å; F1112-I1120 HydrophobicContact CG-CD1 4.4Å; F1112-I1120 PolarHBondContact N-O 3.12Å; F1112-I1120 PolarHBondContact O-N 3.26Å
1113	N	61.7	Low	59.1	Low	59.6 Å²	59.6	64.9 Å²	64.9	32%	0.319	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.6	174.5	-136.1	-7.6	0	0	0	108.3	P1083 F1084 Q1085 S1111 S1115 N1116 L1118 N1119	P1083-N1113 WeakPolarHBondContact CD-O 3.31Å; P1083-N1113 HydrophobicContact CG-CB 4.11Å; P1083-N1113 VanDerWaalsContact CG-O 3.25Å; P1083-N1113 WeakPolarHBondContact CG-O 3.24Å; P1083-N1113 PolarHBondContact O-N 2.97Å; F1084-N1113 CarbonylContact C-O 3.56Å; F1084-N1113 WeakPolarHBondContact CA-O 3.27Å; Q1085-N1113 PolarHBondContact N-O 3.14Å; Q1085-N1113 PolarHBondContact O-N 3.33Å; S1111-N1113 PolarHBondContact O-N 3.22Å; N1113-S1115 PolarHBondContact O-N 2.7Å; N1113-N1116 WeakPolarHBondContact OD1-CA 3.4Å; N1113-N1116 PolarHBondContact OD1-N 3.34Å; N1113-L1118 CarbonylContact C-O 3.49Å; N1113-L1118 WeakPolarHBondContact CA-O 3.26Å; N1113-N1119 WeakPolarHBondContact CB-OD1 3.17Å; N1113-N1119 VanDerWaalsContact CG-CG 3.49Å; N1113-N1119 VanDerWaalsContact CG-OD1 3.27Å; N1113-N1119 PolarHBondContact ND2-OD1 3.1Å; N1113-N1119 WeakPolarHBondContact OD1-CB 3.48Å; N1113-N1119 PolarHBondContact OD1-OD1 3.14Å
1114	V	60.6	Low	60.1	Low	29.2 Å²	29.2	62.8 Å²	62.8	18%	0.177	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	86.5	175.3	-175.2	0	0	0	0	107.8	F1082 F1084 F1112 N1116 F1117 L1118	F1082-V1114 HydrophobicContact CB-CG1 4.21Å; F1082-V1114 HydrophobicContact CD1-CG1 4.37Å; F1082-V1114 HydrophobicContact CD1-CG2 4.48Å; F1082-V1114 HydrophobicContact CE1-CG1 3.87Å; F1082-V1114 HydrophobicContact CE1-CG2 4.43Å; F1084-V1114 HydrophobicContact CB-CB 4.46Å; F1084-V1114 HydrophobicContact CB-CG2 4.16Å; F1112-V1114 HydrophobicContact CD1-CG2 3.79Å; F1112-V1114 VanDerWaalsContact CD1-CG2 3.47Å; F1112-V1114 HydrophobicContact CE1-CB 4.45Å; F1112-V1114 HydrophobicContact CE1-CG2 3.09Å; F1112-V1114 HydrophobicContact CE2-CG2 4.18Å; F1112-V1114 HydrophobicContact CG-CG2 4.37Å; F1112-V1114 HydrophobicContact CZ-CG2 3.32Å; F1112-V1114 VanDerWaalsContact CZ-CG2 3.46Å; V1114-N1116 CarbonylContact O-C 3.59Å; V1114-N1116 PolarHBondContact O-N 3.2Å; V1114-F1117 HydrophobicContact CB-CB 4.44Å; V1114-F1117 WeakPolarHBondContact O-CA 3.23Å; V1114-F1117 WeakPolarHBondContact O-CB 3.34Å; V1114-F1117 PolarHBondContact O-N 3.01Å; V1114-L1118 HydrophobicContact CB-CB 4.3Å; V1114-L1118 HydrophobicContact CB-CD2 3.88Å; V1114-L1118 HydrophobicContact CG2-CB 3.92Å; V1114-L1118 HydrophobicContact CG2-CD2 4Å; V1114-L1118 PolarHBondContact N-O 2.93Å; V1114-L1118 VanDerWaalsContact N-O 3.13Å; V1114-L1118 PolarHBondContact O-N 2.85Å
1115	S	60.3	Low	60.8	Low	39.6 Å²	39.6	61 Å²	61	28%	0.277	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	62.7	171.6	55.9	0	0	0	0	113.9	P1083 N1113 F1117 L1118 N1119	P1083-S1115 PolarHBondContact O-N 3.23Å; N1113-S1115 PolarHBondContact O-N 2.7Å; S1115-F1117 VanDerWaalsContact CB-CE2 3.4Å; S1115-F1117 WeakPolarHBondContact O-CD2 3.24Å; S1115-F1117 WeakPolarHBondContact O-CE2 3.18Å; S1115-F1117 PolarHBondContact O-N 3.03Å; S1115-F1117 VanDerWaalsContact O-N 3.16Å; S1115-F1117 WeakPolarHBondContact OG-CB 3.11Å; S1115-F1117 VanDerWaalsContact OG-CD2 3.25Å; S1115-F1117 WeakPolarHBondContact OG-CD2 3.34Å; S1115-F1117 VanDerWaalsContact OG-CE2 3.26Å; S1115-F1117 WeakPolarHBondContact OG-CE2 3.28Å; S1115-F1117 VanDerWaalsContact OG-CG 3.29Å; S1115-F1117 WeakPolarHBondContact OG-CG 3.41Å; S1115-F1117 PolarHBondContact OG-N 2.65Å; S1115-L1118 PolarHBondContact O-N 2.9Å; S1115-N1119 PolarHBondContact O-OD1 2.72Å
1116	N	57	Low	61	Low	128.4 Å²	128.4	61.3 Å²	61.3	69%	0.687	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	24.8	-1.5	-177.5	-60.1	-20.4	0	0	0	115.5	N1113 V1114 T1146	N1113-N1116 WeakPolarHBondContact OD1-CA 3.4Å; N1113-N1116 PolarHBondContact OD1-N 3.34Å; V1114-N1116 CarbonylContact O-C 3.59Å; V1114-N1116 PolarHBondContact O-N 3.2Å; N1116-T1146 CarbonylContact C-O 3.52Å; N1116-T1146 CarbonylContact O-C 3.54Å; N1116-T1146 VanDerWaalsContact O-C 3.31Å; N1116-T1146 VanDerWaalsContact O-CB 3.32Å; N1116-T1146 WeakPolarHBondContact O-CB 3.26Å; N1116-T1146 PolarHBondContact O-OG1 3.12Å
1117	F	54.2	Low	60.9	Low	86.8 Å²	86.8	61.9 Å²	61.9	38%	0.381	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-35.7	-178.8	-73.3	-79.5	0	0	0	114.4	V1114 S1115 V1145 T1146 I1147 F1148	V1114-F1117 HydrophobicContact CB-CB 4.44Å; V1114-F1117 WeakPolarHBondContact O-CA 3.23Å; V1114-F1117 WeakPolarHBondContact O-CB 3.34Å; V1114-F1117 PolarHBondContact O-N 3.01Å; S1115-F1117 VanDerWaalsContact CB-CE2 3.4Å; S1115-F1117 WeakPolarHBondContact O-CD2 3.24Å; S1115-F1117 WeakPolarHBondContact O-CE2 3.18Å; S1115-F1117 PolarHBondContact O-N 3.03Å; S1115-F1117 VanDerWaalsContact O-N 3.16Å; S1115-F1117 WeakPolarHBondContact OG-CB 3.11Å; S1115-F1117 VanDerWaalsContact OG-CD2 3.25Å; S1115-F1117 WeakPolarHBondContact OG-CD2 3.34Å; S1115-F1117 VanDerWaalsContact OG-CE2 3.26Å; S1115-F1117 WeakPolarHBondContact OG-CE2 3.28Å; S1115-F1117 VanDerWaalsContact OG-CG 3.29Å; S1115-F1117 WeakPolarHBondContact OG-CG 3.41Å; S1115-F1117 PolarHBondContact OG-N 2.65Å; F1117-V1145 CarbonylContact O-C 3.51Å; F1117-V1145 WeakPolarHBondContact O-CA 3.31Å; F1117-V1145 WeakPolarHBondContact O-CB 3.25Å; F1117-V1145 WeakPolarHBondContact O-CG1 3.34Å; F1117-T1146 CarbonylContact C-O 3.55Å; F1117-T1146 VanDerWaalsContact CA-C 3.46Å; F1117-T1146 WeakPolarHBondContact CA-O 3.24Å; F1117-T1146 WeakPolarHBondContact CA-OG1 3.29Å; F1117-T1146 WeakPolarHBondContact CB-O 3.38Å; F1117-T1146 WeakPolarHBondContact CD1-O 3.31Å; F1117-T1146 PolarHBondContact N-O 3.3Å; F1117-T1146 CarbonylContact O-C 3.52Å; F1117-T1146 PolarHBondContact O-N 2.96Å; F1117-T1146 VanDerWaalsContact O-N 3.1Å; F1117-T1146 VanDerWaalsContact O-O 3.07Å; F1117-I1147 HydrophobicContact CB-CB 4.41Å; F1117-I1147 HydrophobicContact CB-CG1 3.71Å; F1117-I1147 HydrophobicContact CD1-CB 3.58Å; F1117-I1147 HydrophobicContact CD1-CD1 4.19Å; F1117-I1147 HydrophobicContact CD1-CG1 3.5Å; F1117-I1147 VanDerWaalsContact CD1-CG1 3.5Å; F1117-I1147 HydrophobicContact CD1-CG2 3.34Å; F1117-I1147 HydrophobicContact CE1-CB 4.18Å; F1117-I1147 HydrophobicContact CE1-CG2 3.94Å; F1117-I1147 VanDerWaalsContact CE1-CG2 3.5Å; F1117-I1147 HydrophobicContact CG-CB 4.08Å; F1117-I1147 HydrophobicContact CG-CG1 3.86Å; F1117-I1147 HydrophobicContact CG-CG2 4.29Å; F1117-I1147 WeakPolarHBondContact O-CG1 3.18Å; F1117-F1148 HydrophobicContact CD1-CD2 4.46Å; F1117-F1148 HydrophobicContact CE1-CD1 4.47Å; F1117-F1148 AromaticContact CE1-CD2 3.48Å; F1117-F1148 HydrophobicContact CE1-CD2 3.48Å; F1117-F1148 HydrophobicContact CE1-CE1 4.43Å; F1117-F1148 AromaticContact CE1-CE2 3.39Å; F1117-F1148 HydrophobicContact CE1-CE2 3.39Å; F1117-F1148 VanDerWaalsContact CE1-CE2 3.48Å; F1117-F1148 AromaticContact CE1-CG 3.98Å; F1117-F1148 HydrophobicContact CE1-CG 4.13Å; F1117-F1148 AromaticContact CE1-CZ 3.92Å; F1117-F1148 HydrophobicContact CE1-CZ 3.97Å; F1117-F1148 AromaticContact CE2-CD1 3.94Å; F1117-F1148 HydrophobicContact CE2-CD1 3.94Å; F1117-F1148 HydrophobicContact CE2-CD2 4.22Å; F1117-F1148 HydrophobicContact CE2-CE1 4.03Å; F1117-F1148 HydrophobicContact CE2-CE2 4.31Å; F1117-F1148 HydrophobicContact CE2-CG 4.07Å; F1117-F1148 HydrophobicContact CE2-CZ 4.25Å; F1117-F1148 AromaticContact CZ-CD1 3.57Å; F1117-F1148 HydrophobicContact CZ-CD1 3.93Å; F1117-F1148 AromaticContact CZ-CD2 3.57Å; F1117-F1148 HydrophobicContact CZ-CD2 3.57Å; F1117-F1148 AromaticContact CZ-CE1 3.66Å; F1117-F1148 HydrophobicContact CZ-CE1 3.66Å; F1117-F1148 VanDerWaalsContact CZ-CE1 3.44Å; F1117-F1148 AromaticContact CZ-CE2 3.27Å; F1117-F1148 HydrophobicContact CZ-CE2 3.27Å; F1117-F1148 VanDerWaalsContact CZ-CE2 3.42Å; F1117-F1148 AromaticContact CZ-CG 3.5Å; F1117-F1148 HydrophobicContact CZ-CG 3.91Å; F1117-F1148 AromaticContact CZ-CZ 3.34Å; F1117-F1148 HydrophobicContact CZ-CZ 3.34Å; F1117-F1148 VanDerWaalsContact CZ-CZ 3.44Å
1118	L	57.2	Low	60.4	Low	43.4 Å²	43.4	59.2 Å²	59.2	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	113	-173.2	-171.6	118.4	0	0	0	109.6	F1112 N1113 V1114 S1115 I1120 F1143 N1144 V1145	F1112-L1118 CarbonylContact C-O 3.57Å; F1112-L1118 HydrophobicContact CD1-CB 4.02Å; F1112-L1118 HydrophobicContact CD1-CD2 3.76Å; F1112-L1118 VanDerWaalsContact CD1-CD2 3.44Å; F1112-L1118 HydrophobicContact CD1-CG 4.28Å; F1112-L1118 HydrophobicContact CE1-CB 3.97Å; F1112-L1118 HydrophobicContact CE1-CD2 3.76Å; F1112-L1118 HydrophobicContact CE1-CG 4.21Å; N1113-L1118 CarbonylContact C-O 3.49Å; N1113-L1118 WeakPolarHBondContact CA-O 3.26Å; V1114-L1118 HydrophobicContact CB-CB 4.3Å; V1114-L1118 HydrophobicContact CB-CD2 3.88Å; V1114-L1118 HydrophobicContact CG2-CB 3.92Å; V1114-L1118 HydrophobicContact CG2-CD2 4Å; V1114-L1118 PolarHBondContact N-O 2.93Å; V1114-L1118 VanDerWaalsContact N-O 3.13Å; V1114-L1118 PolarHBondContact O-N 2.85Å; S1115-L1118 PolarHBondContact O-N 2.9Å; L1118-I1120 HydrophobicContact CD1-CD1 4.28Å; L1118-I1120 HydrophobicContact CD1-CG1 4.02Å; L1118-I1120 HydrophobicContact CD2-CD1 3.86Å; L1118-I1120 VanDerWaalsContact CD2-CD1 3.49Å; L1118-I1120 HydrophobicContact CD2-CG1 3.82Å; L1118-I1120 HydrophobicContact CG-CD1 4.3Å; L1118-I1120 HydrophobicContact CG-CG1 4.27Å; L1118-F1143 HydrophobicContact CD1-CD2 4.46Å; L1118-F1143 HydrophobicContact CD1-CE1 3.7Å; L1118-F1143 HydrophobicContact CD1-CE2 4.1Å; L1118-F1143 HydrophobicContact CD1-CZ 3.89Å; L1118-F1143 HydrophobicContact CD2-CE2 3.98Å; L1118-F1143 HydrophobicContact CD2-CZ 4.34Å; L1118-F1143 HydrophobicContact CG-CE1 4.29Å; L1118-F1143 HydrophobicContact CG-CE2 4.18Å; L1118-F1143 HydrophobicContact CG-CZ 4.28Å; L1118-N1144 WeakPolarHBondContact CA-O 3.05Å; L1118-V1145 HydrophobicContact CB-CG2 4.37Å; L1118-V1145 HydrophobicContact CD1-CB 4.26Å; L1118-V1145 HydrophobicContact CD1-CG1 3.95Å; L1118-V1145 HydrophobicContact CD1-CG2 3.76Å; L1118-V1145 VanDerWaalsContact CD1-CG2 3.41Å; L1118-V1145 HydrophobicContact CG-CG2 4.03Å
1119	N	61.4	Low	59.6	Low	59 Å²	59	62.1 Å²	62.1	32%	0.316	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	109.1	172.6	-73.5	-22.7	0	0	0	108.6	F1112 N1113 S1115 Y1121 N1144	F1112-N1119 CarbonylContact O-C 3.54Å; F1112-N1119 WeakPolarHBondContact O-CA 3.31Å; N1113-N1119 WeakPolarHBondContact CB-OD1 3.17Å; N1113-N1119 VanDerWaalsContact CG-CG 3.49Å; N1113-N1119 VanDerWaalsContact CG-OD1 3.27Å; N1113-N1119 PolarHBondContact ND2-OD1 3.1Å; N1113-N1119 WeakPolarHBondContact OD1-CB 3.48Å; N1113-N1119 PolarHBondContact OD1-OD1 3.14Å; S1115-N1119 PolarHBondContact O-OD1 2.72Å; N1119-Y1121 PolarHBondContact O-N 3.13Å; N1119-N1144 CarbonylContact C-O 3.55Å; N1119-N1144 WeakPolarHBondContact CA-O 3Å; N1119-N1144 HydrophobicContact CB-CB 4.4Å; N1119-N1144 WeakPolarHBondContact CB-O 3.25Å; N1119-N1144 PolarHBondContact N-O 3.03Å; N1119-N1144 PolarHBondContact O-N 3.02Å; N1119-N1144 VanDerWaalsContact O-O 3.07Å
1120	I	62.3	Low	58.6	Low	50.2 Å²	50.2	67.9 Å²	67.9	26%	0.257	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.9	169.8	-52.5	179.8	0	0	0	107	S1111 F1112 L1118 F1143	S1111-I1120 CarbonylContact C-O 3.47Å; S1111-I1120 VanDerWaalsContact CA-O 3.28Å; S1111-I1120 WeakPolarHBondContact CA-O 3.37Å; F1112-I1120 HydrophobicContact CB-CB 4.26Å; F1112-I1120 HydrophobicContact CB-CD1 4.36Å; F1112-I1120 HydrophobicContact CB-CG1 4.43Å; F1112-I1120 HydrophobicContact CD1-CD1 4.18Å; F1112-I1120 HydrophobicContact CD1-CG1 4.42Å; F1112-I1120 HydrophobicContact CG-CD1 4.4Å; F1112-I1120 PolarHBondContact N-O 3.12Å; F1112-I1120 PolarHBondContact O-N 3.26Å; L1118-I1120 HydrophobicContact CD1-CD1 4.28Å; L1118-I1120 HydrophobicContact CD1-CG1 4.02Å; L1118-I1120 HydrophobicContact CD2-CD1 3.86Å; L1118-I1120 VanDerWaalsContact CD2-CD1 3.49Å; L1118-I1120 HydrophobicContact CD2-CG1 3.82Å; L1118-I1120 HydrophobicContact CG-CD1 4.3Å; L1118-I1120 HydrophobicContact CG-CG1 4.27Å; I1120-F1143 HydrophobicContact CB-CD2 4.31Å; I1120-F1143 HydrophobicContact CB-CE2 4.27Å; I1120-F1143 HydrophobicContact CD1-CD2 4.12Å; I1120-F1143 HydrophobicContact CD1-CE2 3.91Å; I1120-F1143 HydrophobicContact CD1-CZ 3.76Å; I1120-F1143 HydrophobicContact CG1-CD2 3.84Å; I1120-F1143 HydrophobicContact CG1-CE2 3.85Å; I1120-F1143 HydrophobicContact CG1-CZ 3.77Å; I1120-F1143 HydrophobicContact CG2-CD2 3.88Å; I1120-F1143 HydrophobicContact CG2-CE2 4.05Å
1121	Y	66.1	Low	57.4	Low	105.2 Å²	105.2	71.1 Å²	71.1	41%	0.413	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.4	170.3	-173.5	-94.3	0	0	0	108.9	I1110 N1119 S1123 T1140 M1141 L1142	I1110-Y1121 CarbonylContact O-C 3.51Å; N1119-Y1121 PolarHBondContact O-N 3.13Å; Y1121-S1123 VanDerWaalsContact C-N 3.31Å; Y1121-S1123 WeakPolarHBondContact CE1-OG 3.34Å; Y1121-S1123 PolarHBondContact O-N 2.88Å; Y1121-S1123 VanDerWaalsContact O-N 3.12Å; Y1121-S1123 WeakPolarHBondContact OH-CB 3.32Å; Y1121-T1140 WeakPolarHBondContact CE1-OG1 2.87Å; Y1121-M1141 CarbonylContact O-C 3.4Å; Y1121-M1141 WeakPolarHBondContact O-CA 3.36Å; Y1121-L1142 HydrophobicContact CD1-CB 4.46Å; Y1121-L1142 HydrophobicContact CD1-CD1 4.19Å; Y1121-L1142 PolarHBondContact N-O 3.29Å; Y1121-L1142 PolarHBondContact O-N 3.23Å
1122	W	62.1	Low	56.3	Low	108.8 Å²	108.8	76.7 Å²	76.7	41%	0.412	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.2	170.5	-173.5	43.4	0	0	0	109	T1108 S1109 I1110 F1124 S1139 T1140	T1108-W1122 WeakPolarHBondContact OG1-CH2 3.19Å; T1108-W1122 WeakPolarHBondContact OG1-CZ3 3.29Å; S1109-W1122 CarbonylContact C-O 3.54Å; S1109-W1122 VanDerWaalsContact CA-O 3.3Å; S1109-W1122 WeakPolarHBondContact CA-O 3.26Å; S1109-W1122 WeakPolarHBondContact CB-O 3.28Å; I1110-W1122 HydrophobicContact CB-CB 4.32Å; I1110-W1122 HydrophobicContact CB-CE3 4.47Å; I1110-W1122 HydrophobicContact CD1-CE3 3.79Å; I1110-W1122 HydrophobicContact CD1-CZ3 4.06Å; I1110-W1122 HydrophobicContact CG1-CE3 4.14Å; I1110-W1122 PolarHBondContact N-O 3.06Å; I1110-W1122 PolarHBondContact O-N 3.12Å; I1110-W1122 VanDerWaalsContact O-N 3.12Å; W1122-F1124 HydrophobicContact CH2-CB 3.85Å; W1122-F1124 HydrophobicContact CZ2-CB 3.67Å; W1122-S1139 PolarHBondContact NE1-OG 3.14Å; W1122-S1139 VanDerWaalsContact NE1-OG 3.13Å; W1122-T1140 CarbonylContact C-O 3.57Å; W1122-T1140 WeakPolarHBondContact CA-O 3.47Å
1123	S	66	Low	55.2	Low	15.6 Å²	15.6	79.5 Å²	79.5	11%	0.109	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.3	169.8	61.6	0	0	0	0	110.4	T1108 Y1121 N1125 S1139 T1140	T1108-S1123 CarbonylContact O-C 3.41Å; T1108-S1123 VanDerWaalsContact O-CA 3.29Å; T1108-S1123 WeakPolarHBondContact O-CA 3.31Å; Y1121-S1123 VanDerWaalsContact C-N 3.31Å; Y1121-S1123 WeakPolarHBondContact CE1-OG 3.34Å; Y1121-S1123 PolarHBondContact O-N 2.88Å; Y1121-S1123 VanDerWaalsContact O-N 3.12Å; Y1121-S1123 WeakPolarHBondContact OH-CB 3.32Å; S1123-N1125 PolarHBondContact O-N 3.1Å; S1123-S1139 CarbonylContact O-C 3.56Å; S1123-S1139 WeakPolarHBondContact O-CA 3.45Å; S1123-S1139 PolarHBondContact O-OG 2.75Å; S1123-T1140 PolarHBondContact N-O 3.18Å; S1123-T1140 PolarHBondContact O-N 3.17Å; S1123-T1140 VanDerWaalsContact O-O 3.08Å; S1123-T1140 PolarHBondContact OG-OG1 2.94Å
1124	F	62.1	Low	54.5	Low	69 Å²	69	79.1 Å²	79.1	30%	0.303	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.2	168.2	-175.6	-91.9	0	0	0	107.9	F1106 Q1107 T1108 W1122 L1126 Y1137 Y1138	F1106-F1124 HydrophobicContact CD1-CD1 4.38Å; F1106-F1124 HydrophobicContact CD2-CD1 4.18Å; F1106-F1124 HydrophobicContact CD2-CE1 4.36Å; F1106-F1124 HydrophobicContact CE1-CD1 4.14Å; F1106-F1124 AromaticContact CE1-CE1 3.69Å; F1106-F1124 HydrophobicContact CE1-CE1 4.01Å; F1106-F1124 AromaticContact CE2-CD1 3.51Å; F1106-F1124 HydrophobicContact CE2-CD1 3.51Å; F1106-F1124 AromaticContact CE2-CE1 3.49Å; F1106-F1124 HydrophobicContact CE2-CE1 3.68Å; F1106-F1124 VanDerWaalsContact CE2-CE1 3.48Å; F1106-F1124 AromaticContact CZ-CD1 3.72Å; F1106-F1124 HydrophobicContact CZ-CD1 3.72Å; F1106-F1124 AromaticContact CZ-CE1 3.36Å; F1106-F1124 HydrophobicContact CZ-CE1 3.36Å; F1106-F1124 HydrophobicContact CZ-CZ 4.36Å; Q1107-F1124 CarbonylContact C-O 3.43Å; Q1107-F1124 VanDerWaalsContact CA-O 3.26Å; Q1107-F1124 WeakPolarHBondContact CA-O 3.29Å; T1108-F1124 PolarHBondContact N-O 3.18Å; T1108-F1124 VanDerWaalsContact N-O 3.15Å; T1108-F1124 PolarHBondContact O-N 2.95Å; T1108-F1124 VanDerWaalsContact O-O 3.08Å; T1108-F1124 WeakPolarHBondContact OG1-CB 3.43Å; W1122-F1124 HydrophobicContact CH2-CB 3.85Å; W1122-F1124 HydrophobicContact CZ2-CB 3.67Å; F1124-L1126 HydrophobicContact CD1-CD1 4.48Å; F1124-L1126 HydrophobicContact CD1-CG 4.47Å; F1124-L1126 HydrophobicContact CE1-CB 4.1Å; F1124-L1126 HydrophobicContact CE1-CD1 4.09Å; F1124-L1126 HydrophobicContact CE1-CG 3.68Å; F1124-L1126 HydrophobicContact CZ-CB 4.37Å; F1124-L1126 HydrophobicContact CZ-CD1 3.98Å; F1124-L1126 HydrophobicContact CZ-CG 4.28Å; F1124-Y1137 HydrophobicContact CZ-CD1 4.47Å; F1124-Y1138 CarbonylContact C-O 3.35Å; F1124-Y1138 VanDerWaalsContact CA-O 3.32Å; F1124-Y1138 WeakPolarHBondContact CA-O 3.21Å
1125	N	59.1	Low	54.1	Low	55.4 Å²	55.4	79.6 Å²	79.6	30%	0.296	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.7	177	-112.5	4	0	0	0	109.7	F1106 Q1107 S1123 N1127 Y1137 Y1138	F1106-N1125 CarbonylContact O-C 3.44Å; F1106-N1125 WeakPolarHBondContact O-CA 3.26Å; Q1107-N1125 HydrophobicContact CB-CB 4.38Å; Q1107-N1125 VanDerWaalsContact CB-OD1 3.26Å; Q1107-N1125 WeakPolarHBondContact CB-OD1 3.24Å; Q1107-N1125 VanDerWaalsContact CD-OD1 3.29Å; Q1107-N1125 HydrophobicContact CG-CB 3.98Å; Q1107-N1125 VanDerWaalsContact CG-OD1 3.3Å; Q1107-N1125 WeakPolarHBondContact CG-OD1 3.33Å; Q1107-N1125 PolarHBondContact NE2-OD1 3.34Å; S1123-N1125 PolarHBondContact O-N 3.1Å; N1125-N1127 PolarHBondContact ND2-OD1 2.7Å; N1125-N1127 PolarHBondContact OD1-OD1 2.67Å; N1125-Y1137 CarbonylContact O-C 3.47Å; N1125-Y1137 WeakPolarHBondContact O-CA 3.26Å; N1125-Y1138 PolarHBondContact N-O 3.26Å; N1125-Y1138 PolarHBondContact O-N 3.11Å
1126	L	53.7	Low	53.7	Low	39 Å²	39	80.3 Å²	80.3	20%	0.204	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	102	172	-152.2	147.5	0	0	0	107.7	L1098 M1103 A1105 F1106 F1124 S1128 S1136 Y1137	L1098-L1126 HydrophobicContact CD2-CD1 4.13Å; L1098-L1126 HydrophobicContact CD2-CD2 3.75Å; L1098-L1126 HydrophobicContact CD2-CG 4.26Å; M1103-L1126 HydrophobicContact CB-CD2 4.07Å; M1103-L1126 HydrophobicContact SD-CD1 4.19Å; A1105-L1126 CarbonylContact C-O 3.42Å; A1105-L1126 VanDerWaalsContact CA-O 3.28Å; A1105-L1126 WeakPolarHBondContact CA-O 3.37Å; A1105-L1126 VanDerWaalsContact CB-O 3.31Å; A1105-L1126 WeakPolarHBondContact CB-O 3.35Å; F1106-L1126 HydrophobicContact CD1-CB 4.2Å; F1106-L1126 HydrophobicContact CD1-CD1 4.02Å; F1106-L1126 HydrophobicContact CE1-CB 4.35Å; F1106-L1126 HydrophobicContact CE1-CD1 4.09Å; F1106-L1126 PolarHBondContact N-O 2.73Å; F1106-L1126 PolarHBondContact O-N 3.01Å; F1106-L1126 VanDerWaalsContact O-N 3.12Å; F1124-L1126 HydrophobicContact CD1-CD1 4.48Å; F1124-L1126 HydrophobicContact CD1-CG 4.47Å; F1124-L1126 HydrophobicContact CE1-CB 4.1Å; F1124-L1126 HydrophobicContact CE1-CD1 4.09Å; F1124-L1126 HydrophobicContact CE1-CG 3.68Å; F1124-L1126 HydrophobicContact CZ-CB 4.37Å; F1124-L1126 HydrophobicContact CZ-CD1 3.98Å; F1124-L1126 HydrophobicContact CZ-CG 4.28Å; L1126-S1128 WeakPolarHBondContact CD2-OG 3.18Å; L1126-S1136 CarbonylContact C-O 3.5Å; L1126-S1136 WeakPolarHBondContact CA-O 3.36Å; L1126-Y1137 HydrophobicContact CB-CD1 4.43Å; L1126-Y1137 HydrophobicContact CD1-CD1 3.78Å; L1126-Y1137 HydrophobicContact CD1-CE1 3.5Å; L1126-Y1137 VanDerWaalsContact CD1-CE1 3.43Å; L1126-Y1137 HydrophobicContact CD2-CD1 3.64Å; L1126-Y1137 HydrophobicContact CD2-CE1 4.12Å; L1126-Y1137 HydrophobicContact CG-CD1 4.02Å; L1126-Y1137 HydrophobicContact CG-CE1 4Å; L1126-Y1137 HydrophobicContact CG-CG 4.38Å
1127	N	52	Low	53.8	Low	95.6 Å²	95.6	77.9 Å²	77.9	51%	0.511	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.7	174.5	-81.2	-2.5	0	0	0	109.4	N1125 T1129 P1135 S1136	N1125-N1127 PolarHBondContact ND2-OD1 2.7Å; N1125-N1127 PolarHBondContact OD1-OD1 2.67Å; N1127-T1129 HydrophobicContact CB-CG2 4.32Å; N1127-T1129 PolarHBondContact O-N 3.02Å; N1127-P1135 WeakPolarHBondContact O-CA 3.37Å; N1127-S1136 WeakPolarHBondContact CB-OG 3.4Å; N1127-S1136 PolarHBondContact N-O 2.99Å; N1127-S1136 PolarHBondContact O-N 2.86Å; N1127-S1136 VanDerWaalsContact O-N 3.1Å; N1127-S1136 PolarHBondContact O-OG 3.35Å; N1127-S1136 VanDerWaalsContact O-OG 3.08Å
1128	S	46.6	Very low	54.2	Low	44.2 Å²	44.2	78.6 Å²	78.6	31%	0.309	40%	0.401	S	S	.	.			trans	-102.7	103.8	167.2	161.1	0	0	0	0	109.3	L1098 K1099 M1103 A1105 L1126 E1130	L1098-S1128 WeakPolarHBondContact CD1-OG 3.47Å; L1098-S1128 WeakPolarHBondContact CD2-OG 3.4Å; L1098-S1128 WeakPolarHBondContact O-CB 3.29Å; L1098-S1128 PolarHBondContact O-OG 2.79Å; K1099-S1128 WeakPolarHBondContact CE-O 3.26Å; K1099-S1128 VanDerWaalsContact CG-O 3.31Å; K1099-S1128 WeakPolarHBondContact CG-O 3.32Å; K1099-S1128 WeakPolarHBondContact CG-OG 3.42Å; M1103-S1128 PolarHBondContact O-OG 3.09Å; A1105-S1128 WeakPolarHBondContact CA-OG 3.4Å; A1105-S1128 WeakPolarHBondContact CB-OG 3.42Å; A1105-S1128 PolarHBondContact N-OG 2.75Å; L1126-S1128 WeakPolarHBondContact CD2-OG 3.18Å; S1128-E1130 PolarHBondContact O-N 3.23Å
1129	T	44.4	Very low	54.4	Low	87.8 Å²	87.8	78.1 Å²	78.1	54%	0.539	40%	0.401	S	S	.	.			trans	-95.2	106.3	-177.1	49.7	0	0	0	0	111.4	Y1091 A1105 N1127 D1131 N1133	Y1091-T1129 HydrophobicContact CG-CG2 4.48Å; A1105-T1129 HydrophobicContact CB-CG2 3.54Å; N1127-T1129 HydrophobicContact CB-CG2 4.32Å; N1127-T1129 PolarHBondContact O-N 3.02Å; T1129-D1131 PolarHBondContact O-N 2.78Å; T1129-N1133 WeakPolarHBondContact OG1-CB 3.49Å
1130	E	43.5	Very low	54.4	Low	154 Å²	154	76.4 Å²	76.4	72%	0.72	39%	0.393	S	S	*	.	S	Bend	trans	-13.8	98.8	164.4	-73.5	173	166.2	0	0	116.2	Q1095 K1099 S1128 N1132	Q1095-E1130 PolarHBondContact NE2-OE1 3.27Å; K1099-E1130 VanDerWaalsContact NZ-CA 3.31Å; K1099-E1130 IonicContact NZ-OE1 2.72Å; K1099-E1130 PolarHBondContact NZ-OE1 3.44Å; S1128-E1130 PolarHBondContact O-N 3.23Å; E1130-N1132 VanDerWaalsContact C-N 3.34Å; E1130-N1132 PolarHBondContact O-N 2.78Å; E1130-N1132 VanDerWaalsContact O-N 3.15Å
1131	D	42.4	Very low	54.5	Low	121.6 Å²	121.6	77.2 Å²	77.2	65%	0.65	40%	0.397	S	S	*	.	S	Bend	trans	34.7	36	168.6	-71.6	-25.4	0	0	0	120.3	N1097 T1129 N1133	N1097-D1131 VanDerWaalsContact CB-OD1 3.31Å; N1097-D1131 WeakPolarHBondContact CB-OD1 3.23Å; N1097-D1131 VanDerWaalsContact ND2-CA 3.3Å; N1097-D1131 WeakPolarHBondContact ND2-CA 3.43Å; N1097-D1131 PolarHBondContact ND2-O 2.87Å; N1097-D1131 PolarHBondContact ND2-OD1 3.27Å; T1129-D1131 PolarHBondContact O-N 2.78Å; D1131-N1133 VanDerWaalsContact C-N 3.26Å; D1131-N1133 WeakPolarHBondContact O-CB 3.27Å; D1131-N1133 PolarHBondContact O-N 3.41Å; D1131-N1133 PolarHBondContact O-ND2 2.69Å
1132	N	44.7	Very low	54.3	Low	152.4 Å²	152.4	75 Å²	75	82%	0.815	39%	0.391	S	S	*	.	S	Bend	trans	72.8	4	174.3	-75.9	-39.4	0	0	0	117.3	E1130	E1130-N1132 VanDerWaalsContact C-N 3.34Å; E1130-N1132 PolarHBondContact O-N 2.78Å; E1130-N1132 VanDerWaalsContact O-N 3.15Å
1133	N	41.2	Very low	54.2	Low	123.8 Å²	123.8	72.4 Å²	72.4	66%	0.662	38%	0.383	S	S	*	.	S	Bend	trans	-104.7	136.4	176.5	-77.7	-30.8	0	0	0	109.6	T1129 D1131	T1129-N1133 WeakPolarHBondContact OG1-CB 3.49Å; D1131-N1133 VanDerWaalsContact C-N 3.26Å; D1131-N1133 WeakPolarHBondContact O-CB 3.27Å; D1131-N1133 PolarHBondContact O-N 3.41Å; D1131-N1133 PolarHBondContact O-ND2 2.69Å
1134	P	48.1	Very low	53.8	Low	51.8 Å²	51.8	74.3 Å²	74.3	34%	0.336	39%	0.392	S	S	.	.			trans	-66.1	155	179.4	27.4	-33.8	0	0	0	111.4	S1136 E1162 L1164	P1134-S1136 PolarHBondContact O-N 3.17Å; P1134-E1162 HydrophobicContact CB-CB 3.76Å; P1134-E1162 HydrophobicContact CB-CG 4.49Å; P1134-E1162 WeakPolarHBondContact CB-O 3.3Å; P1134-E1162 HydrophobicContact CG-CB 3.37Å; P1134-E1162 VanDerWaalsContact CG-O 3.26Å; P1134-E1162 WeakPolarHBondContact CG-O 3.31Å; P1134-L1164 HydrophobicContact CB-CB 4.13Å; P1134-L1164 HydrophobicContact CB-CD1 4.4Å; P1134-L1164 HydrophobicContact CG-CB 4.45Å; P1134-L1164 HydrophobicContact CG-CD1 4.07Å
1135	P	51.7	Low	53.6	Low	39.8 Å²	39.8	72.2 Å²	72.2	26%	0.258	39%	0.385	S	S	.	.			trans	-59.6	126.1	-172.3	23.6	-33.7	0	0	0	111.3	N1127 Y1137 E1162	N1127-P1135 WeakPolarHBondContact O-CA 3.37Å; P1135-Y1137 HydrophobicContact CB-CD2 4.31Å; P1135-Y1137 HydrophobicContact CB-CE1 4.32Å; P1135-Y1137 HydrophobicContact CB-CE2 3.91Å; P1135-Y1137 HydrophobicContact CG-CD2 4.5Å; P1135-Y1137 HydrophobicContact CG-CE2 4.15Å; P1135-Y1137 PolarHBondContact O-N 2.78Å; P1135-E1162 PolarHBondContact O-N 2.82Å
1136	S	52.2	Low	53.4	Low	53.8 Å²	53.8	72.2 Å²	72.2	38%	0.376	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.3	169.6	57.2	0	0	0	0	109.2	L1126 N1127 P1134 Y1138 W1160 N1161	L1126-S1136 CarbonylContact C-O 3.5Å; L1126-S1136 WeakPolarHBondContact CA-O 3.36Å; N1127-S1136 WeakPolarHBondContact CB-OG 3.4Å; N1127-S1136 PolarHBondContact N-O 2.99Å; N1127-S1136 PolarHBondContact O-N 2.86Å; N1127-S1136 VanDerWaalsContact O-N 3.1Å; N1127-S1136 PolarHBondContact O-OG 3.35Å; N1127-S1136 VanDerWaalsContact O-OG 3.08Å; P1134-S1136 PolarHBondContact O-N 3.17Å; S1136-Y1138 PolarHBondContact O-N 3.25Å; S1136-W1160 CarbonylContact C-O 3.51Å; S1136-W1160 WeakPolarHBondContact CA-O 3.28Å; S1136-N1161 WeakPolarHBondContact CB-OD1 3.38Å
1137	Y	59.6	Low	53.4	Low	77.8 Å²	77.8	74.3 Å²	74.3	31%	0.305	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.2	173.5	-57.8	-92.6	0	0	0	108.3	M1103 F1124 N1125 L1126 P1135 Y1159 W1160 E1162	M1103-Y1137 WeakPolarHBondContact CE-OH 3.12Å; M1103-Y1137 PolarHBondContact SD-OH 2.79Å; M1103-Y1137 VanDerWaalsContact SD-OH 3.38Å; F1124-Y1137 HydrophobicContact CZ-CD1 4.47Å; N1125-Y1137 CarbonylContact O-C 3.47Å; N1125-Y1137 WeakPolarHBondContact O-CA 3.26Å; L1126-Y1137 HydrophobicContact CB-CD1 4.43Å; L1126-Y1137 HydrophobicContact CD1-CD1 3.78Å; L1126-Y1137 HydrophobicContact CD1-CE1 3.5Å; L1126-Y1137 VanDerWaalsContact CD1-CE1 3.43Å; L1126-Y1137 HydrophobicContact CD2-CD1 3.64Å; L1126-Y1137 HydrophobicContact CD2-CE1 4.12Å; L1126-Y1137 HydrophobicContact CG-CD1 4.02Å; L1126-Y1137 HydrophobicContact CG-CE1 4Å; L1126-Y1137 HydrophobicContact CG-CG 4.38Å; P1135-Y1137 HydrophobicContact CB-CD2 4.31Å; P1135-Y1137 HydrophobicContact CB-CE1 4.32Å; P1135-Y1137 HydrophobicContact CB-CE2 3.91Å; P1135-Y1137 HydrophobicContact CG-CD2 4.5Å; P1135-Y1137 HydrophobicContact CG-CE2 4.15Å; P1135-Y1137 PolarHBondContact O-N 2.78Å; Y1137-Y1159 CarbonylContact O-C 3.54Å; Y1137-Y1159 WeakPolarHBondContact O-CA 3.2Å; Y1137-W1160 HydrophobicContact CD1-CE3 4.2Å; Y1137-W1160 AromaticContact CD1-CZ3 3.99Å; Y1137-W1160 HydrophobicContact CD1-CZ3 4.22Å; Y1137-W1160 HydrophobicContact CD2-CB 4.33Å; Y1137-W1160 AromaticContact CD2-CD2 3.63Å; Y1137-W1160 HydrophobicContact CD2-CD2 3.81Å; Y1137-W1160 VanDerWaalsContact CD2-CD2 3.5Å; Y1137-W1160 AromaticContact CD2-CE3 3.3Å; Y1137-W1160 HydrophobicContact CD2-CE3 3.53Å; Y1137-W1160 HydrophobicContact CD2-CG 4.14Å; Y1137-W1160 HydrophobicContact CD2-CH2 4.22Å; Y1137-W1160 HydrophobicContact CD2-CZ2 4.38Å; Y1137-W1160 AromaticContact CD2-CZ3 3.57Å; Y1137-W1160 HydrophobicContact CD2-CZ3 3.73Å; Y1137-W1160 HydrophobicContact CE1-CE3 4.38Å; Y1137-W1160 HydrophobicContact CE1-CH2 4.47Å; Y1137-W1160 AromaticContact CE1-CZ3 3.85Å; Y1137-W1160 HydrophobicContact CE1-CZ3 4.06Å; Y1137-W1160 AromaticContact CE2-CD2 3.93Å; Y1137-W1160 HydrophobicContact CE2-CD2 4.05Å; Y1137-W1160 AromaticContact CE2-CE3 3.67Å; Y1137-W1160 HydrophobicContact CE2-CE3 3.67Å; Y1137-W1160 VanDerWaalsContact CE2-CE3 3.44Å; Y1137-W1160 AromaticContact CE2-CH2 3.67Å; Y1137-W1160 HydrophobicContact CE2-CH2 3.91Å; Y1137-W1160 AromaticContact CE2-CZ2 3.92Å; Y1137-W1160 HydrophobicContact CE2-CZ2 4.06Å; Y1137-W1160 AromaticContact CE2-CZ3 3.39Å; Y1137-W1160 HydrophobicContact CE2-CZ3 3.6Å; Y1137-W1160 HydrophobicContact CG-CD2 4.27Å; Y1137-W1160 AromaticContact CG-CE3 3.71Å; Y1137-W1160 HydrophobicContact CG-CE3 3.71Å; Y1137-W1160 AromaticContact CG-CZ3 3.86Å; Y1137-W1160 HydrophobicContact CG-CZ3 4Å; Y1137-W1160 AromaticContact CZ-CH2 3.77Å; Y1137-W1160 AromaticContact CZ-CZ3 3.66Å; Y1137-W1160 PolarHBondContact N-O 3.13Å; Y1137-W1160 VanDerWaalsContact N-O 3.11Å; Y1137-W1160 PolarHBondContact O-N 3.1Å; Y1137-E1162 HydrophobicContact CE2-CG 4.37Å
1138	Y	61.2	Low	53.6	Low	101.4 Å²	101.4	78.2 Å²	78.2	40%	0.398	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	114.3	178.3	167.2	-108.9	0	0	0	110.4	F1124 N1125 S1136 T1140 I1158 Y1159	F1124-Y1138 CarbonylContact C-O 3.35Å; F1124-Y1138 VanDerWaalsContact CA-O 3.32Å; F1124-Y1138 WeakPolarHBondContact CA-O 3.21Å; N1125-Y1138 PolarHBondContact N-O 3.26Å; N1125-Y1138 PolarHBondContact O-N 3.11Å; S1136-Y1138 PolarHBondContact O-N 3.25Å; Y1138-T1140 HydrophobicContact CD1-CG2 4.25Å; Y1138-T1140 HydrophobicContact CD2-CG2 4.23Å; Y1138-T1140 HydrophobicContact CE1-CG2 3.52Å; Y1138-T1140 HydrophobicContact CE2-CG2 3.86Å; Y1138-T1140 VanDerWaalsContact OH-CG2 3.3Å; Y1138-T1140 WeakPolarHBondContact OH-CG2 3.37Å; Y1138-I1158 CarbonylContact C-O 3.42Å; Y1138-I1158 VanDerWaalsContact CA-O 3.32Å; Y1138-I1158 WeakPolarHBondContact CA-O 3.44Å; Y1138-Y1159 AromaticContact CD2-CD1 3.55Å; Y1138-Y1159 HydrophobicContact CD2-CD1 3.55Å; Y1138-Y1159 AromaticContact CD2-CD2 3.64Å; Y1138-Y1159 HydrophobicContact CD2-CD2 3.93Å; Y1138-Y1159 AromaticContact CD2-CE1 3.3Å; Y1138-Y1159 HydrophobicContact CD2-CE1 3.3Å; Y1138-Y1159 HydrophobicContact CD2-CE2 4.46Å; Y1138-Y1159 HydrophobicContact CD2-CG 4.31Å; Y1138-Y1159 AromaticContact CE2-CD1 3.9Å; Y1138-Y1159 HydrophobicContact CE2-CD1 3.9Å; Y1138-Y1159 AromaticContact CE2-CE1 3.15Å; Y1138-Y1159 HydrophobicContact CE2-CE1 3.15Å; Y1138-Y1159 HydrophobicContact CE2-CE2 4.41Å; Y1138-Y1159 AromaticContact CE2-CZ 3.46Å; Y1138-Y1159 VanDerWaalsContact CE2-CZ 3.46Å; Y1138-Y1159 WeakPolarHBondContact CE2-OH 3.37Å; Y1138-Y1159 HydrophobicContact CG-CD2 4.12Å
1139	S	62.6	Low	54.1	Low	34.6 Å²	34.6	84.9 Å²	84.9	24%	0.242	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.7	168.3	178	0	0	0	0	109.2	W1122 S1123 S1157 I1158	W1122-S1139 PolarHBondContact NE1-OG 3.14Å; W1122-S1139 VanDerWaalsContact NE1-OG 3.13Å; S1123-S1139 CarbonylContact O-C 3.56Å; S1123-S1139 WeakPolarHBondContact O-CA 3.45Å; S1123-S1139 PolarHBondContact O-OG 2.75Å; S1139-S1157 CarbonylContact O-C 3.33Å; S1139-S1157 VanDerWaalsContact O-CA 3.31Å; S1139-S1157 WeakPolarHBondContact O-CA 3.3Å; S1139-I1158 PolarHBondContact N-O 3.03Å; S1139-I1158 VanDerWaalsContact N-O 3.11Å; S1139-I1158 PolarHBondContact O-N 3.2Å
1140	T	61.8	Low	54.8	Low	21.6 Å²	21.6	84.9 Å²	84.9	13%	0.133	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.8	166.9	47.7	0	0	0	0	110.6	Y1121 W1122 S1123 Y1138 L1142 N1156	Y1121-T1140 WeakPolarHBondContact CE1-OG1 2.87Å; W1122-T1140 CarbonylContact C-O 3.57Å; W1122-T1140 WeakPolarHBondContact CA-O 3.47Å; S1123-T1140 PolarHBondContact N-O 3.18Å; S1123-T1140 PolarHBondContact O-N 3.17Å; S1123-T1140 VanDerWaalsContact O-O 3.08Å; S1123-T1140 PolarHBondContact OG-OG1 2.94Å; Y1138-T1140 HydrophobicContact CD1-CG2 4.25Å; Y1138-T1140 HydrophobicContact CD2-CG2 4.23Å; Y1138-T1140 HydrophobicContact CE1-CG2 3.52Å; Y1138-T1140 HydrophobicContact CE2-CG2 3.86Å; Y1138-T1140 VanDerWaalsContact OH-CG2 3.3Å; Y1138-T1140 WeakPolarHBondContact OH-CG2 3.37Å; T1140-L1142 VanDerWaalsContact C-N 3.33Å; T1140-L1142 PolarHBondContact O-N 3.43Å; T1140-N1156 CarbonylContact C-O 3.53Å; T1140-N1156 VanDerWaalsContact CA-O 3.31Å; T1140-N1156 WeakPolarHBondContact CA-O 3.37Å
1141	M	64.6	Low	55.8	Low	68.6 Å²	68.6	82 Å²	82	34%	0.338	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.1	163.3	-173.4	-168.6	131.7	0	0	107.8	Y1121 F1143 Y1154 Q1155 N1156	Y1121-M1141 CarbonylContact O-C 3.4Å; Y1121-M1141 WeakPolarHBondContact O-CA 3.36Å; M1141-F1143 HydrophobicContact CE-CB 4.18Å; M1141-F1143 HydrophobicContact CE-CD2 4.19Å; M1141-F1143 HydrophobicContact CE-CG 4.48Å; M1141-F1143 PolarHBondContact O-N 3.38Å; M1141-Y1154 HydrophobicContact CE-CD1 3.73Å; M1141-Y1154 HydrophobicContact CE-CE1 3.75Å; M1141-Q1155 CarbonylContact O-C 3.47Å; M1141-Q1155 WeakPolarHBondContact O-CA 3.13Å; M1141-N1156 HydrophobicContact CB-CB 4.31Å; M1141-N1156 PolarHBondContact N-O 3.17Å; M1141-N1156 PolarHBondContact O-N 2.98Å
1142	L	61.4	Low	56.8	Low	57.4 Å²	57.4	79.7 Å²	79.7	30%	0.301	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	111.5	175.9	-116.5	156.4	0	0	0	107.9	Y1121 T1140 N1144 Q1155	Y1121-L1142 HydrophobicContact CD1-CB 4.46Å; Y1121-L1142 HydrophobicContact CD1-CD1 4.19Å; Y1121-L1142 PolarHBondContact N-O 3.29Å; Y1121-L1142 PolarHBondContact O-N 3.23Å; T1140-L1142 VanDerWaalsContact C-N 3.33Å; T1140-L1142 PolarHBondContact O-N 3.43Å; L1142-N1144 VanDerWaalsContact C-N 3.33Å; L1142-N1144 VanDerWaalsContact CD2-CG 3.48Å; L1142-N1144 WeakPolarHBondContact CD2-ND2 3.31Å; L1142-N1144 VanDerWaalsContact CD2-OD1 3.23Å; L1142-N1144 WeakPolarHBondContact CD2-OD1 3.38Å; L1142-N1144 PolarHBondContact O-N 2.85Å; L1142-Q1155 HydrophobicContact CB-CG 4.34Å; L1142-Q1155 HydrophobicContact CD1-CG 4.23Å; L1142-Q1155 HydrophobicContact CD2-CB 3.77Å; L1142-Q1155 HydrophobicContact CD2-CG 3.63Å; L1142-Q1155 HydrophobicContact CG-CG 4.42Å
1143	F	59.6	Low	57.9	Low	54.6 Å²	54.6	73.9 Å²	73.9	24%	0.239	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	103.4	177.7	-175.7	-93.4	0	0	0	107.9	L1118 I1120 M1141 V1145 L1152 Y1154	L1118-F1143 HydrophobicContact CD1-CD2 4.46Å; L1118-F1143 HydrophobicContact CD1-CE1 3.7Å; L1118-F1143 HydrophobicContact CD1-CE2 4.1Å; L1118-F1143 HydrophobicContact CD1-CZ 3.89Å; L1118-F1143 HydrophobicContact CD2-CE2 3.98Å; L1118-F1143 HydrophobicContact CD2-CZ 4.34Å; L1118-F1143 HydrophobicContact CG-CE1 4.29Å; L1118-F1143 HydrophobicContact CG-CE2 4.18Å; L1118-F1143 HydrophobicContact CG-CZ 4.28Å; I1120-F1143 HydrophobicContact CB-CD2 4.31Å; I1120-F1143 HydrophobicContact CB-CE2 4.27Å; I1120-F1143 HydrophobicContact CD1-CD2 4.12Å; I1120-F1143 HydrophobicContact CD1-CE2 3.91Å; I1120-F1143 HydrophobicContact CD1-CZ 3.76Å; I1120-F1143 HydrophobicContact CG1-CD2 3.84Å; I1120-F1143 HydrophobicContact CG1-CE2 3.85Å; I1120-F1143 HydrophobicContact CG1-CZ 3.77Å; I1120-F1143 HydrophobicContact CG2-CD2 3.88Å; I1120-F1143 HydrophobicContact CG2-CE2 4.05Å; M1141-F1143 HydrophobicContact CE-CB 4.18Å; M1141-F1143 HydrophobicContact CE-CD2 4.19Å; M1141-F1143 HydrophobicContact CE-CG 4.48Å; M1141-F1143 PolarHBondContact O-N 3.38Å; F1143-V1145 HydrophobicContact CD1-CB 4.39Å; F1143-V1145 HydrophobicContact CD1-CG2 3.86Å; F1143-V1145 VanDerWaalsContact CD1-CG2 3.45Å; F1143-V1145 HydrophobicContact CD2-CG2 4.18Å; F1143-V1145 HydrophobicContact CE1-CB 4.28Å; F1143-V1145 HydrophobicContact CE1-CG2 3.27Å; F1143-V1145 VanDerWaalsContact CE1-CG2 3.41Å; F1143-V1145 HydrophobicContact CE2-CG2 4.13Å; F1143-V1145 HydrophobicContact CG-CG2 4.02Å; F1143-V1145 HydrophobicContact CZ-CG2 3.34Å; F1143-V1145 VanDerWaalsContact CZ-CG2 3.4Å; F1143-L1152 HydrophobicContact CD1-CD2 4.37Å; F1143-L1152 HydrophobicContact CE1-CD2 4.37Å; F1143-Y1154 WeakPolarHBondContact CA-O 3.31Å; F1143-Y1154 HydrophobicContact CB-CD1 4.13Å; F1143-Y1154 HydrophobicContact CB-CG 4.4Å; F1143-Y1154 WeakPolarHBondContact CB-O 3.23Å; F1143-Y1154 HydrophobicContact CG-CD1 4.5Å; F1143-Y1154 PolarHBondContact N-O 3.21Å; F1143-Y1154 PolarHBondContact O-N 3.22Å; F1143-Y1154 VanDerWaalsContact O-N 3.12Å
1144	N	57.5	Low	59.2	Low	56.2 Å²	56.2	71.5 Å²	71.5	30%	0.301	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.5	179.2	-77.8	-0.7	0	0	0	109	L1118 N1119 L1142 V1153	L1118-N1144 WeakPolarHBondContact CA-O 3.05Å; N1119-N1144 CarbonylContact C-O 3.55Å; N1119-N1144 WeakPolarHBondContact CA-O 3Å; N1119-N1144 HydrophobicContact CB-CB 4.4Å; N1119-N1144 WeakPolarHBondContact CB-O 3.25Å; N1119-N1144 PolarHBondContact N-O 3.03Å; N1119-N1144 PolarHBondContact O-N 3.02Å; N1119-N1144 VanDerWaalsContact O-O 3.07Å; L1142-N1144 VanDerWaalsContact C-N 3.33Å; L1142-N1144 VanDerWaalsContact CD2-CG 3.48Å; L1142-N1144 WeakPolarHBondContact CD2-ND2 3.31Å; L1142-N1144 VanDerWaalsContact CD2-OD1 3.23Å; L1142-N1144 WeakPolarHBondContact CD2-OD1 3.38Å; L1142-N1144 PolarHBondContact O-N 2.85Å; N1144-V1153 HydrophobicContact CB-CG2 4.28Å; N1144-V1153 WeakPolarHBondContact OD1-CG1 3.38Å; N1144-V1153 WeakPolarHBondContact OD1-CG2 3.33Å
1145	V	57.9	Low	60.3	Low	23.8 Å²	23.8	72.2 Å²	72.2	14%	0.144	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.3	173.7	176.1	0	0	0	0	108.2	F1117 L1118 F1143 I1147 F1151 L1152	F1117-V1145 CarbonylContact O-C 3.51Å; F1117-V1145 WeakPolarHBondContact O-CA 3.31Å; F1117-V1145 WeakPolarHBondContact O-CB 3.25Å; F1117-V1145 WeakPolarHBondContact O-CG1 3.34Å; L1118-V1145 HydrophobicContact CB-CG2 4.37Å; L1118-V1145 HydrophobicContact CD1-CB 4.26Å; L1118-V1145 HydrophobicContact CD1-CG1 3.95Å; L1118-V1145 HydrophobicContact CD1-CG2 3.76Å; L1118-V1145 VanDerWaalsContact CD1-CG2 3.41Å; L1118-V1145 HydrophobicContact CG-CG2 4.03Å; F1143-V1145 HydrophobicContact CD1-CB 4.39Å; F1143-V1145 HydrophobicContact CD1-CG2 3.86Å; F1143-V1145 VanDerWaalsContact CD1-CG2 3.45Å; F1143-V1145 HydrophobicContact CD2-CG2 4.18Å; F1143-V1145 HydrophobicContact CE1-CB 4.28Å; F1143-V1145 HydrophobicContact CE1-CG2 3.27Å; F1143-V1145 VanDerWaalsContact CE1-CG2 3.41Å; F1143-V1145 HydrophobicContact CE2-CG2 4.13Å; F1143-V1145 HydrophobicContact CG-CG2 4.02Å; F1143-V1145 HydrophobicContact CZ-CG2 3.34Å; F1143-V1145 VanDerWaalsContact CZ-CG2 3.4Å; V1145-I1147 HydrophobicContact CG1-CD1 3.79Å; V1145-I1147 VanDerWaalsContact CG1-CD1 3.44Å; V1145-I1147 HydrophobicContact CG1-CG1 3.73Å; V1145-I1147 PolarHBondContact O-N 2.97Å; V1145-F1151 CarbonylContact O-C 3.53Å; V1145-F1151 VanDerWaalsContact O-CA 3.28Å; V1145-F1151 WeakPolarHBondContact O-CA 3.09Å; V1145-L1152 HydrophobicContact CB-CB 4.28Å; V1145-L1152 HydrophobicContact CG1-CB 4.26Å; V1145-L1152 PolarHBondContact N-O 3.09Å; V1145-L1152 PolarHBondContact O-N 3.3Å
1146	T	55.3	Low	61.1	Low	55.8 Å²	55.8	72 Å²	72	34%	0.342	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	105.1	178.1	32.9	0	0	0	0	109.2	N1116 F1117 F1148 H1150 F1151	N1116-T1146 CarbonylContact C-O 3.52Å; N1116-T1146 CarbonylContact O-C 3.54Å; N1116-T1146 VanDerWaalsContact O-C 3.31Å; N1116-T1146 VanDerWaalsContact O-CB 3.32Å; N1116-T1146 WeakPolarHBondContact O-CB 3.26Å; N1116-T1146 PolarHBondContact O-OG1 3.12Å; F1117-T1146 CarbonylContact C-O 3.55Å; F1117-T1146 VanDerWaalsContact CA-C 3.46Å; F1117-T1146 WeakPolarHBondContact CA-O 3.24Å; F1117-T1146 WeakPolarHBondContact CA-OG1 3.29Å; F1117-T1146 WeakPolarHBondContact CB-O 3.38Å; F1117-T1146 WeakPolarHBondContact CD1-O 3.31Å; F1117-T1146 PolarHBondContact N-O 3.3Å; F1117-T1146 CarbonylContact O-C 3.52Å; F1117-T1146 PolarHBondContact O-N 2.96Å; F1117-T1146 VanDerWaalsContact O-N 3.1Å; F1117-T1146 VanDerWaalsContact O-O 3.07Å; T1146-F1148 PolarHBondContact O-N 2.77Å; T1146-H1150 CarbonylContact C-O 3.54Å; T1146-H1150 WeakPolarHBondContact CA-O 3.46Å; T1146-F1151 HydrophobicContact CG2-CB 4.07Å
1147	I	53.3	Low	62	Low	83 Å²	83	70.2 Å²	70.2	43%	0.426	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	105.6	178.4	-58.8	177.4	0	0	0	107.8	F1117 V1145 E1149 H1150	F1117-I1147 HydrophobicContact CB-CB 4.41Å; F1117-I1147 HydrophobicContact CB-CG1 3.71Å; F1117-I1147 HydrophobicContact CD1-CB 3.58Å; F1117-I1147 HydrophobicContact CD1-CD1 4.19Å; F1117-I1147 HydrophobicContact CD1-CG1 3.5Å; F1117-I1147 VanDerWaalsContact CD1-CG1 3.5Å; F1117-I1147 HydrophobicContact CD1-CG2 3.34Å; F1117-I1147 HydrophobicContact CE1-CB 4.18Å; F1117-I1147 HydrophobicContact CE1-CG2 3.94Å; F1117-I1147 VanDerWaalsContact CE1-CG2 3.5Å; F1117-I1147 HydrophobicContact CG-CB 4.08Å; F1117-I1147 HydrophobicContact CG-CG1 3.86Å; F1117-I1147 HydrophobicContact CG-CG2 4.29Å; F1117-I1147 WeakPolarHBondContact O-CG1 3.18Å; V1145-I1147 HydrophobicContact CG1-CD1 3.79Å; V1145-I1147 VanDerWaalsContact CG1-CD1 3.44Å; V1145-I1147 HydrophobicContact CG1-CG1 3.73Å; V1145-I1147 PolarHBondContact O-N 2.97Å; I1147-E1149 PolarHBondContact O-N 3.02Å; I1147-H1150 CarbonylContact C-O 3.44Å; I1147-H1150 VanDerWaalsContact C-O 3.32Å; I1147-H1150 WeakPolarHBondContact CA-O 3.42Å; I1147-H1150 PolarHBondContact N-O 3.38Å; I1147-H1150 CarbonylContact O-C 3.55Å; I1147-H1150 WeakPolarHBondContact O-CA 3.22Å; I1147-H1150 VanDerWaalsContact O-CB 3.31Å; I1147-H1150 WeakPolarHBondContact O-CB 3.31Å; I1147-H1150 PolarHBondContact O-N 3.07Å; I1147-H1150 VanDerWaalsContact O-N 3.09Å
1148	F	57	Low	62.4	Low	178.4 Å²	178.4	70.5 Å²	70.5	78%	0.782	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	-129	-175.8	-58	-74.2	0	0	0	112.5	F1117 T1146 H1150	F1117-F1148 HydrophobicContact CD1-CD2 4.46Å; F1117-F1148 HydrophobicContact CE1-CD1 4.47Å; F1117-F1148 AromaticContact CE1-CD2 3.48Å; F1117-F1148 HydrophobicContact CE1-CD2 3.48Å; F1117-F1148 HydrophobicContact CE1-CE1 4.43Å; F1117-F1148 AromaticContact CE1-CE2 3.39Å; F1117-F1148 HydrophobicContact CE1-CE2 3.39Å; F1117-F1148 VanDerWaalsContact CE1-CE2 3.48Å; F1117-F1148 AromaticContact CE1-CG 3.98Å; F1117-F1148 HydrophobicContact CE1-CG 4.13Å; F1117-F1148 AromaticContact CE1-CZ 3.92Å; F1117-F1148 HydrophobicContact CE1-CZ 3.97Å; F1117-F1148 AromaticContact CE2-CD1 3.94Å; F1117-F1148 HydrophobicContact CE2-CD1 3.94Å; F1117-F1148 HydrophobicContact CE2-CD2 4.22Å; F1117-F1148 HydrophobicContact CE2-CE1 4.03Å; F1117-F1148 HydrophobicContact CE2-CE2 4.31Å; F1117-F1148 HydrophobicContact CE2-CG 4.07Å; F1117-F1148 HydrophobicContact CE2-CZ 4.25Å; F1117-F1148 AromaticContact CZ-CD1 3.57Å; F1117-F1148 HydrophobicContact CZ-CD1 3.93Å; F1117-F1148 AromaticContact CZ-CD2 3.57Å; F1117-F1148 HydrophobicContact CZ-CD2 3.57Å; F1117-F1148 AromaticContact CZ-CE1 3.66Å; F1117-F1148 HydrophobicContact CZ-CE1 3.66Å; F1117-F1148 VanDerWaalsContact CZ-CE1 3.44Å; F1117-F1148 AromaticContact CZ-CE2 3.27Å; F1117-F1148 HydrophobicContact CZ-CE2 3.27Å; F1117-F1148 VanDerWaalsContact CZ-CE2 3.42Å; F1117-F1148 AromaticContact CZ-CG 3.5Å; F1117-F1148 HydrophobicContact CZ-CG 3.91Å; F1117-F1148 AromaticContact CZ-CZ 3.34Å; F1117-F1148 HydrophobicContact CZ-CZ 3.34Å; F1117-F1148 VanDerWaalsContact CZ-CZ 3.44Å; T1146-F1148 PolarHBondContact O-N 2.77Å; F1148-H1150 VanDerWaalsContact C-N 3.31Å; F1148-H1150 PolarHBondContact O-CE1 2.84Å; F1148-H1150 PolarHBondContact O-N 3.05Å; F1148-H1150 VanDerWaalsContact O-N 3.14Å; F1148-H1150 PolarHBondContact O-ND1 3.31Å
1149	E	57.2	Low	62.7	Low	183.8 Å²	183.8	70 Å²	70	86%	0.859	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-0.8	177.6	-62.3	-173.3	163.1	0	0	113.9	I1147 S1188	I1147-E1149 PolarHBondContact O-N 3.02Å; E1149-S1188 PolarHBondContact O-OG 3.11Å
1150	H	58.2	Low	62.8	Low	89.4 Å²	89.4	73.4 Å²	73.4	41%	0.414	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.1	-178.3	-56.2	84	0	0	0	111.6	T1146 I1147 F1148 S1188 V1189	T1146-H1150 CarbonylContact C-O 3.54Å; T1146-H1150 WeakPolarHBondContact CA-O 3.46Å; I1147-H1150 CarbonylContact C-O 3.44Å; I1147-H1150 VanDerWaalsContact C-O 3.32Å; I1147-H1150 WeakPolarHBondContact CA-O 3.42Å; I1147-H1150 PolarHBondContact N-O 3.38Å; I1147-H1150 CarbonylContact O-C 3.55Å; I1147-H1150 WeakPolarHBondContact O-CA 3.22Å; I1147-H1150 VanDerWaalsContact O-CB 3.31Å; I1147-H1150 WeakPolarHBondContact O-CB 3.31Å; I1147-H1150 PolarHBondContact O-N 3.07Å; I1147-H1150 VanDerWaalsContact O-N 3.09Å; F1148-H1150 VanDerWaalsContact C-N 3.31Å; F1148-H1150 PolarHBondContact O-CE1 2.84Å; F1148-H1150 PolarHBondContact O-N 3.05Å; F1148-H1150 VanDerWaalsContact O-N 3.14Å; F1148-H1150 PolarHBondContact O-ND1 3.31Å; H1150-S1188 VanDerWaalsContact CA-OG 3.29Å; H1150-S1188 WeakPolarHBondContact CA-OG 3.35Å; H1150-S1188 PolarHBondContact ND1-O 2.77Å; H1150-V1189 HydrophobicContact CB-CB 3.87Å; H1150-V1189 HydrophobicContact CB-CG1 4.5Å; H1150-V1189 HydrophobicContact CB-CG2 3.69Å; H1150-V1189 VanDerWaalsContact CB-CG2 3.46Å; H1150-V1189 WeakPolarHBondContact CD2-CA 3.29Å; H1150-V1189 VanDerWaalsContact CD2-CG2 3.41Å; H1150-V1189 WeakPolarHBondContact CD2-CG2 3.39Å; H1150-V1189 PolarHBondContact CD2-N 3.15Å
1151	F	65.3	Low	62.8	Low	93.2 Å²	93.2	75.4 Å²	75.4	41%	0.409	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144.8	173.4	63.3	-97.1	0	0	0	111.3	V1145 T1146 V1153 Q1186 S1187 S1188	V1145-F1151 CarbonylContact O-C 3.53Å; V1145-F1151 VanDerWaalsContact O-CA 3.28Å; V1145-F1151 WeakPolarHBondContact O-CA 3.09Å; T1146-F1151 HydrophobicContact CG2-CB 4.07Å; F1151-V1153 HydrophobicContact CB-CG2 4.35Å; F1151-V1153 HydrophobicContact CD2-CB 4.36Å; F1151-V1153 HydrophobicContact CD2-CG2 3.94Å; F1151-V1153 HydrophobicContact CE2-CG2 4.38Å; F1151-V1153 HydrophobicContact CG-CG2 4.32Å; F1151-Q1186 HydrophobicContact CE2-CB 4.11Å; F1151-S1187 CarbonylContact O-C 3.45Å; F1151-S1187 WeakPolarHBondContact O-CA 3.27Å; F1151-S1187 WeakPolarHBondContact O-CB 3.24Å; F1151-S1187 PolarHBondContact O-OG 3Å; F1151-S1188 WeakPolarHBondContact CD1-OG 3.37Å; F1151-S1188 VanDerWaalsContact CE1-CB 3.46Å; F1151-S1188 WeakPolarHBondContact CE1-OG 3.18Å; F1151-S1188 VanDerWaalsContact CZ-CB 3.47Å; F1151-S1188 PolarHBondContact N-OG 3.21Å; F1151-S1188 VanDerWaalsContact N-OG 3.08Å; F1151-S1188 PolarHBondContact O-N 3.14Å; F1151-S1188 VanDerWaalsContact O-N 3.14Å; F1151-S1188 PolarHBondContact O-OG 2.89Å
1152	L	63.1	Low	62.2	Low	72.4 Å²	72.4	75.4 Å²	75.4	38%	0.379	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	113.2	163.3	-166.2	148	0	0	0	106.8	F1143 V1145 Q1186	F1143-L1152 HydrophobicContact CD1-CD2 4.37Å; F1143-L1152 HydrophobicContact CE1-CD2 4.37Å; V1145-L1152 HydrophobicContact CB-CB 4.28Å; V1145-L1152 HydrophobicContact CG1-CB 4.26Å; V1145-L1152 PolarHBondContact N-O 3.09Å; V1145-L1152 PolarHBondContact O-N 3.3Å; L1152-Q1186 CarbonylContact C-O 3.51Å; L1152-Q1186 VanDerWaalsContact CA-O 3.3Å; L1152-Q1186 WeakPolarHBondContact CA-O 3.29Å
1153	V	67	Low	61.7	Low	30.2 Å²	30.2	76.1 Å²	76.1	18%	0.183	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.8	177.1	173.4	0	0	0	0	106.8	N1144 F1151 Q1155 A1185 Q1186	N1144-V1153 HydrophobicContact CB-CG2 4.28Å; N1144-V1153 WeakPolarHBondContact OD1-CG1 3.38Å; N1144-V1153 WeakPolarHBondContact OD1-CG2 3.33Å; F1151-V1153 HydrophobicContact CB-CG2 4.35Å; F1151-V1153 HydrophobicContact CD2-CB 4.36Å; F1151-V1153 HydrophobicContact CD2-CG2 3.94Å; F1151-V1153 HydrophobicContact CE2-CG2 4.38Å; F1151-V1153 HydrophobicContact CG-CG2 4.32Å; V1153-Q1155 HydrophobicContact CG1-CB 4.39Å; V1153-Q1155 HydrophobicContact CG1-CG 3.87Å; V1153-A1185 CarbonylContact O-C 3.44Å; V1153-A1185 WeakPolarHBondContact O-CA 3.26Å; V1153-Q1186 HydrophobicContact CB-CB 4.24Å; V1153-Q1186 PolarHBondContact N-O 2.93Å; V1153-Q1186 PolarHBondContact O-N 3.1Å; V1153-Q1186 VanDerWaalsContact O-N 3.13Å
1154	Y	68.1	Low	60.9	Low	74 Å²	74	79.3 Å²	79.3	29%	0.29	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.6	171.7	177.9	-97.9	0	0	0	108.9	M1141 F1143 N1156 K1184 A1185	M1141-Y1154 HydrophobicContact CE-CD1 3.73Å; M1141-Y1154 HydrophobicContact CE-CE1 3.75Å; F1143-Y1154 WeakPolarHBondContact CA-O 3.31Å; F1143-Y1154 HydrophobicContact CB-CD1 4.13Å; F1143-Y1154 HydrophobicContact CB-CG 4.4Å; F1143-Y1154 WeakPolarHBondContact CB-O 3.23Å; F1143-Y1154 HydrophobicContact CG-CD1 4.5Å; F1143-Y1154 PolarHBondContact N-O 3.21Å; F1143-Y1154 PolarHBondContact O-N 3.22Å; F1143-Y1154 VanDerWaalsContact O-N 3.12Å; Y1154-N1156 HydrophobicContact CE1-CB 3.84Å; Y1154-N1156 VanDerWaalsContact CE1-CG 3.44Å; Y1154-N1156 WeakPolarHBondContact CE1-ND2 3.29Å; Y1154-N1156 VanDerWaalsContact CZ-CG 3.49Å; Y1154-N1156 VanDerWaalsContact CZ-OD1 3.24Å; Y1154-N1156 PolarHBondContact OH-ND2 2.9Å; Y1154-N1156 VanDerWaalsContact OH-ND2 3.12Å; Y1154-N1156 PolarHBondContact OH-OD1 2.96Å; Y1154-N1156 VanDerWaalsContact OH-OD1 3.1Å; Y1154-K1184 CarbonylContact C-O 3.53Å; Y1154-K1184 WeakPolarHBondContact CA-O 3.46Å; Y1154-A1185 HydrophobicContact CD2-CB 4.27Å
1155	Q	71.2	Confident	60.1	Low	67.2 Å²	67.2	82.2 Å²	82.2	31%	0.314	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	120.1	178.2	-161.4	178.4	1.8	0	0	109.1	M1141 L1142 V1153 T1183 K1184	M1141-Q1155 CarbonylContact O-C 3.47Å; M1141-Q1155 WeakPolarHBondContact O-CA 3.13Å; L1142-Q1155 HydrophobicContact CB-CG 4.34Å; L1142-Q1155 HydrophobicContact CD1-CG 4.23Å; L1142-Q1155 HydrophobicContact CD2-CB 3.77Å; L1142-Q1155 HydrophobicContact CD2-CG 3.63Å; L1142-Q1155 HydrophobicContact CG-CG 4.42Å; V1153-Q1155 HydrophobicContact CG1-CB 4.39Å; V1153-Q1155 HydrophobicContact CG1-CG 3.87Å; Q1155-T1183 CarbonylContact O-C 3.5Å; Q1155-T1183 WeakPolarHBondContact O-CA 3.43Å; Q1155-K1184 HydrophobicContact CB-CB 4.43Å; Q1155-K1184 PolarHBondContact N-O 2.93Å; Q1155-K1184 PolarHBondContact O-N 3.21Å
1156	N	68.9	Low	59.1	Low	35.8 Å²	35.8	87.6 Å²	87.6	19%	0.191	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.4	167.8	-125.7	-15.6	0	0	0	108.9	T1140 M1141 Y1154 K1182 T1183	T1140-N1156 CarbonylContact C-O 3.53Å; T1140-N1156 VanDerWaalsContact CA-O 3.31Å; T1140-N1156 WeakPolarHBondContact CA-O 3.37Å; M1141-N1156 HydrophobicContact CB-CB 4.31Å; M1141-N1156 PolarHBondContact N-O 3.17Å; M1141-N1156 PolarHBondContact O-N 2.98Å; Y1154-N1156 HydrophobicContact CE1-CB 3.84Å; Y1154-N1156 VanDerWaalsContact CE1-CG 3.44Å; Y1154-N1156 WeakPolarHBondContact CE1-ND2 3.29Å; Y1154-N1156 VanDerWaalsContact CZ-CG 3.49Å; Y1154-N1156 VanDerWaalsContact CZ-OD1 3.24Å; Y1154-N1156 PolarHBondContact OH-ND2 2.9Å; Y1154-N1156 VanDerWaalsContact OH-ND2 3.12Å; Y1154-N1156 PolarHBondContact OH-OD1 2.96Å; Y1154-N1156 VanDerWaalsContact OH-OD1 3.1Å; N1156-K1182 CarbonylContact C-O 3.59Å; N1156-K1182 VanDerWaalsContact CA-O 3.29Å; N1156-K1182 WeakPolarHBondContact CA-O 3.16Å; N1156-K1182 PolarHBondContact OD1-O 3.43Å; N1156-T1183 HydrophobicContact CB-CG2 4.38Å; N1156-T1183 WeakPolarHBondContact ND2-CG2 3.46Å; N1156-T1183 VanDerWaalsContact OD1-CB 3.25Å; N1156-T1183 WeakPolarHBondContact OD1-CB 3.35Å; N1156-T1183 VanDerWaalsContact OD1-CG2 3.22Å; N1156-T1183 WeakPolarHBondContact OD1-CG2 3.35Å
1157	S	71.3	Confident	58.3	Low	14 Å²	14	94 Å²	94	10%	0.098	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130	172.2	57.5	0	0	0	0	109.7	S1139 Y1159 I1181 K1182	S1139-S1157 CarbonylContact O-C 3.33Å; S1139-S1157 VanDerWaalsContact O-CA 3.31Å; S1139-S1157 WeakPolarHBondContact O-CA 3.3Å; S1157-Y1159 VanDerWaalsContact CB-CE2 3.43Å; S1157-Y1159 VanDerWaalsContact OG-CE2 3.28Å; S1157-Y1159 WeakPolarHBondContact OG-CE2 3.32Å; S1157-Y1159 PolarHBondContact OG-OH 3.12Å; S1157-I1181 CarbonylContact O-C 3.46Å; S1157-I1181 VanDerWaalsContact O-CA 3.26Å; S1157-I1181 WeakPolarHBondContact O-CA 3.36Å; S1157-K1182 PolarHBondContact N-O 3.25Å; S1157-K1182 PolarHBondContact O-N 3.16Å; S1157-K1182 WeakPolarHBondContact OG-CB 3.23Å; S1157-K1182 PolarHBondContact OG-O 2.78Å
1158	I	68.6	Low	57.6	Low	85 Å²	85	96.4 Å²	96.4	44%	0.436	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.3	176.1	-61.1	170.5	0	0	0	106.3	Y1138 S1139 I1179 I1181	Y1138-I1158 CarbonylContact C-O 3.42Å; Y1138-I1158 VanDerWaalsContact CA-O 3.32Å; Y1138-I1158 WeakPolarHBondContact CA-O 3.44Å; S1139-I1158 PolarHBondContact N-O 3.03Å; S1139-I1158 VanDerWaalsContact N-O 3.11Å; S1139-I1158 PolarHBondContact O-N 3.2Å; I1158-I1179 HydrophobicContact CG2-CG2 4.18Å; I1158-I1181 HydrophobicContact CG1-CG1 4.34Å; I1158-I1181 HydrophobicContact CG1-CG2 4.27Å; I1158-I1181 HydrophobicContact CG2-CG1 4.38Å
1159	Y	67.8	Low	56.5	Low	90 Å²	90	93.3 Å²	93.3	35%	0.353	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.7	173.6	-97.9	-96	0	0	0	109	Y1137 Y1138 S1157 N1161 I1179 T1180 K1182	Y1137-Y1159 CarbonylContact O-C 3.54Å; Y1137-Y1159 WeakPolarHBondContact O-CA 3.2Å; Y1138-Y1159 AromaticContact CD2-CD1 3.55Å; Y1138-Y1159 HydrophobicContact CD2-CD1 3.55Å; Y1138-Y1159 AromaticContact CD2-CD2 3.64Å; Y1138-Y1159 HydrophobicContact CD2-CD2 3.93Å; Y1138-Y1159 AromaticContact CD2-CE1 3.3Å; Y1138-Y1159 HydrophobicContact CD2-CE1 3.3Å; Y1138-Y1159 HydrophobicContact CD2-CE2 4.46Å; Y1138-Y1159 HydrophobicContact CD2-CG 4.31Å; Y1138-Y1159 AromaticContact CE2-CD1 3.9Å; Y1138-Y1159 HydrophobicContact CE2-CD1 3.9Å; Y1138-Y1159 AromaticContact CE2-CE1 3.15Å; Y1138-Y1159 HydrophobicContact CE2-CE1 3.15Å; Y1138-Y1159 HydrophobicContact CE2-CE2 4.41Å; Y1138-Y1159 AromaticContact CE2-CZ 3.46Å; Y1138-Y1159 VanDerWaalsContact CE2-CZ 3.46Å; Y1138-Y1159 WeakPolarHBondContact CE2-OH 3.37Å; Y1138-Y1159 HydrophobicContact CG-CD2 4.12Å; S1157-Y1159 VanDerWaalsContact CB-CE2 3.43Å; S1157-Y1159 VanDerWaalsContact OG-CE2 3.28Å; S1157-Y1159 WeakPolarHBondContact OG-CE2 3.32Å; S1157-Y1159 PolarHBondContact OG-OH 3.12Å; Y1159-N1161 HydrophobicContact CE1-CB 3.88Å; Y1159-N1161 WeakPolarHBondContact CE1-ND2 3.23Å; Y1159-N1161 WeakPolarHBondContact CE1-OD1 3.08Å; Y1159-N1161 WeakPolarHBondContact CE2-OD1 3.49Å; Y1159-N1161 VanDerWaalsContact CZ-CG 3.43Å; Y1159-N1161 VanDerWaalsContact CZ-ND2 3.26Å; Y1159-N1161 PolarHBondContact OH-ND2 3.14Å; Y1159-N1161 PolarHBondContact OH-OD1 3.01Å; Y1159-I1179 CarbonylContact O-C 3.53Å; Y1159-I1179 VanDerWaalsContact O-CA 3.24Å; Y1159-I1179 WeakPolarHBondContact O-CA 3.09Å; Y1159-T1180 WeakPolarHBondContact CB-OG1 3.14Å; Y1159-T1180 HydrophobicContact CD2-CG2 4.44Å; Y1159-T1180 PolarHBondContact N-O 2.95Å; Y1159-T1180 PolarHBondContact O-N 3.14Å; Y1159-T1180 PolarHBondContact O-OG1 2.84Å; Y1159-K1182 HydrophobicContact CD2-CB 4.45Å; Y1159-K1182 HydrophobicContact CD2-CG 4.34Å; Y1159-K1182 HydrophobicContact CE2-CB 4.43Å; Y1159-K1182 HydrophobicContact CE2-CD 4.02Å; Y1159-K1182 HydrophobicContact CE2-CG 4.01Å
1160	W	63.1	Low	55.6	Low	107.8 Å²	107.8	90.9 Å²	90.9	41%	0.408	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	114.3	173.1	174.8	18.2	0	0	0	108.7	S1136 Y1137 E1162 N1178 I1179	S1136-W1160 CarbonylContact C-O 3.51Å; S1136-W1160 WeakPolarHBondContact CA-O 3.28Å; Y1137-W1160 HydrophobicContact CD1-CE3 4.2Å; Y1137-W1160 AromaticContact CD1-CZ3 3.99Å; Y1137-W1160 HydrophobicContact CD1-CZ3 4.22Å; Y1137-W1160 HydrophobicContact CD2-CB 4.33Å; Y1137-W1160 AromaticContact CD2-CD2 3.63Å; Y1137-W1160 HydrophobicContact CD2-CD2 3.81Å; Y1137-W1160 VanDerWaalsContact CD2-CD2 3.5Å; Y1137-W1160 AromaticContact CD2-CE3 3.3Å; Y1137-W1160 HydrophobicContact CD2-CE3 3.53Å; Y1137-W1160 HydrophobicContact CD2-CG 4.14Å; Y1137-W1160 HydrophobicContact CD2-CH2 4.22Å; Y1137-W1160 HydrophobicContact CD2-CZ2 4.38Å; Y1137-W1160 AromaticContact CD2-CZ3 3.57Å; Y1137-W1160 HydrophobicContact CD2-CZ3 3.73Å; Y1137-W1160 HydrophobicContact CE1-CE3 4.38Å; Y1137-W1160 HydrophobicContact CE1-CH2 4.47Å; Y1137-W1160 AromaticContact CE1-CZ3 3.85Å; Y1137-W1160 HydrophobicContact CE1-CZ3 4.06Å; Y1137-W1160 AromaticContact CE2-CD2 3.93Å; Y1137-W1160 HydrophobicContact CE2-CD2 4.05Å; Y1137-W1160 AromaticContact CE2-CE3 3.67Å; Y1137-W1160 HydrophobicContact CE2-CE3 3.67Å; Y1137-W1160 VanDerWaalsContact CE2-CE3 3.44Å; Y1137-W1160 AromaticContact CE2-CH2 3.67Å; Y1137-W1160 HydrophobicContact CE2-CH2 3.91Å; Y1137-W1160 AromaticContact CE2-CZ2 3.92Å; Y1137-W1160 HydrophobicContact CE2-CZ2 4.06Å; Y1137-W1160 AromaticContact CE2-CZ3 3.39Å; Y1137-W1160 HydrophobicContact CE2-CZ3 3.6Å; Y1137-W1160 HydrophobicContact CG-CD2 4.27Å; Y1137-W1160 AromaticContact CG-CE3 3.71Å; Y1137-W1160 HydrophobicContact CG-CE3 3.71Å; Y1137-W1160 AromaticContact CG-CZ3 3.86Å; Y1137-W1160 HydrophobicContact CG-CZ3 4Å; Y1137-W1160 AromaticContact CZ-CH2 3.77Å; Y1137-W1160 AromaticContact CZ-CZ3 3.66Å; Y1137-W1160 PolarHBondContact N-O 3.13Å; Y1137-W1160 VanDerWaalsContact N-O 3.11Å; Y1137-W1160 PolarHBondContact O-N 3.1Å; W1160-E1162 HydrophobicContact CZ2-CG 3.96Å; W1160-N1178 CarbonylContact C-O 3.47Å; W1160-N1178 VanDerWaalsContact CA-O 3.27Å; W1160-N1178 WeakPolarHBondContact CA-O 3.24Å; W1160-I1179 HydrophobicContact CB-CB 4.45Å; W1160-I1179 HydrophobicContact CB-CG1 4.19Å; W1160-I1179 HydrophobicContact CB-CG2 4.42Å; W1160-I1179 HydrophobicContact CD2-CG1 4.49Å; W1160-I1179 HydrophobicContact CG-CG1 4.07Å
1161	N	61.7	Low	54.5	Low	63.8 Å²	63.8	93.2 Å²	93.2	34%	0.341	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141	173.5	-61.7	-2.1	0	0	0	110.6	S1136 Y1159 T1163 K1177 N1178	S1136-N1161 WeakPolarHBondContact CB-OD1 3.38Å; Y1159-N1161 HydrophobicContact CE1-CB 3.88Å; Y1159-N1161 WeakPolarHBondContact CE1-ND2 3.23Å; Y1159-N1161 WeakPolarHBondContact CE1-OD1 3.08Å; Y1159-N1161 WeakPolarHBondContact CE2-OD1 3.49Å; Y1159-N1161 VanDerWaalsContact CZ-CG 3.43Å; Y1159-N1161 VanDerWaalsContact CZ-ND2 3.26Å; Y1159-N1161 PolarHBondContact OH-ND2 3.14Å; Y1159-N1161 PolarHBondContact OH-OD1 3.01Å; N1161-T1163 HydrophobicContact CB-CG2 4.4Å; N1161-K1177 CarbonylContact O-C 3.52Å; N1161-K1177 WeakPolarHBondContact O-CA 3.44Å; N1161-N1178 WeakPolarHBondContact CB-OD1 3.25Å; N1161-N1178 VanDerWaalsContact CG-CG 3.49Å; N1161-N1178 PolarHBondContact N-O 3.07Å; N1161-N1178 PolarHBondContact N-OD1 2.83Å; N1161-N1178 PolarHBondContact ND2-ND2 3.15Å; N1161-N1178 VanDerWaalsContact ND2-ND2 3.17Å; N1161-N1178 PolarHBondContact ND2-OD1 2.99Å; N1161-N1178 PolarHBondContact O-N 3.06Å; N1161-N1178 VanDerWaalsContact O-N 3.12Å; N1161-N1178 PolarHBondContact O-OD1 3.22Å; N1161-N1178 VanDerWaalsContact O-OD1 3.13Å; N1161-N1178 PolarHBondContact OD1-N 2.95Å; N1161-N1178 PolarHBondContact OD1-OD1 2.83Å
1162	E	53.5	Low	53.2	Low	66.8 Å²	66.8	94.4 Å²	94.4	31%	0.312	49%	0.493	S	S	.	.			trans	-102	125	158.2	-64.9	-168.1	152.2	0	0	107.9	P1134 P1135 Y1137 W1160 L1164 N1175 D1176 K1177	P1134-E1162 HydrophobicContact CB-CB 3.76Å; P1134-E1162 HydrophobicContact CB-CG 4.49Å; P1134-E1162 WeakPolarHBondContact CB-O 3.3Å; P1134-E1162 HydrophobicContact CG-CB 3.37Å; P1134-E1162 VanDerWaalsContact CG-O 3.26Å; P1134-E1162 WeakPolarHBondContact CG-O 3.31Å; P1135-E1162 PolarHBondContact O-N 2.82Å; Y1137-E1162 HydrophobicContact CE2-CG 4.37Å; W1160-E1162 HydrophobicContact CZ2-CG 3.96Å; E1162-L1164 PolarHBondContact O-N 3.31Å; E1162-N1175 PolarHBondContact OE2-ND2 2.78Å; E1162-D1176 CarbonylContact C-O 3.54Å; E1162-D1176 VanDerWaalsContact CA-O 3.27Å; E1162-D1176 WeakPolarHBondContact CA-O 3.2Å; E1162-K1177 HydrophobicContact CG-CD 4.48Å; E1162-K1177 HydrophobicContact CG-CG 4.03Å; E1162-K1177 WeakPolarHBondContact OE1-CD 3.49Å; E1162-K1177 VanDerWaalsContact OE1-CE 3.32Å; E1162-K1177 WeakPolarHBondContact OE1-CE 3.18Å; E1162-K1177 IonicContact OE1-NZ 3.18Å; E1162-K1177 PolarHBondContact OE1-NZ 3.02Å
1163	T	50.2	Low	51.9	Low	73.8 Å²	73.8	97.5 Å²	97.5	45%	0.453	51%	0.51	S	S	.	.			trans	-99.8	126.4	173.8	46.8	0	0	0	0	109.9	N1161 N1175 D1176 N1178	N1161-T1163 HydrophobicContact CB-CG2 4.4Å; T1163-N1175 PolarHBondContact OG1-O 2.85Å; T1163-D1176 PolarHBondContact N-O 3.46Å; T1163-D1176 PolarHBondContact O-N 3.2Å; T1163-D1176 PolarHBondContact OG1-O 3.3Å; T1163-N1178 WeakPolarHBondContact CG2-ND2 3.25Å; T1163-N1178 PolarHBondContact OG1-ND2 3.3Å
1164	L	42.7	Very low	50.7	Low	120 Å²	120	101.4 Å²	101.4	63%	0.628	53%	0.527	S	S	*	.			trans	-98	114.7	173.2	-136.2	113.4	0	0	0	108.5	P1134 E1162 N1166 N1175	P1134-L1164 HydrophobicContact CB-CB 4.13Å; P1134-L1164 HydrophobicContact CB-CD1 4.4Å; P1134-L1164 HydrophobicContact CG-CB 4.45Å; P1134-L1164 HydrophobicContact CG-CD1 4.07Å; E1162-L1164 PolarHBondContact O-N 3.31Å; L1164-N1166 PolarHBondContact O-N 3.15Å; L1164-N1166 VanDerWaalsContact O-N 3.11Å; L1164-N1175 VanDerWaalsContact CD1-OD1 3.31Å; L1164-N1175 WeakPolarHBondContact CD1-OD1 3.16Å
1165	N	41.1	Very low	49.7	Very low	117 Å²	117	101.8 Å²	101.8	63%	0.626	53%	0.534	S	S	*	.			trans	-73.5	111.1	175.4	-108.6	-10.1	0	0	0	110.1	K1167 N1173 N1175	N1165-K1167 PolarHBondContact O-N 2.92Å; N1165-N1173 PolarHBondContact ND2-O 3.48Å; N1165-N1173 VanDerWaalsContact ND2-O 3.09Å; N1165-N1175 WeakPolarHBondContact CB-OD1 3.15Å; N1165-N1175 VanDerWaalsContact CG-OD1 3.29Å; N1165-N1175 PolarHBondContact ND2-OD1 2.95Å
1166	N	37.4	Very low	48.7	Very low	138.6 Å²	138.6	101.1 Å²	101.1	74%	0.741	53%	0.532	S	S	*	.			trans	-71.5	108.5	169.2	-83.3	-20.2	0	0	0	110	L1164 T1168	L1164-N1166 PolarHBondContact O-N 3.15Å; L1164-N1166 VanDerWaalsContact O-N 3.11Å; N1166-T1168 PolarHBondContact O-N 3.07Å; N1166-T1168 VanDerWaalsContact O-N 3.08Å
1167	K	37.5	Very low	48.2	Very low	190.2 Å²	190.2	104.1 Å²	104.1	83%	0.827	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	83.7	-177.5	-87.2	176.7	-178.4	178.8	0	114.5	N1165 T1169	N1165-K1167 PolarHBondContact O-N 2.92Å; K1167-T1169 PolarHBondContact O-N 2.93Å
1168	T	39.4	Very low	47.8	Very low	133.8 Å²	133.8	105.3 Å²	105.3	82%	0.821	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	12.4	-170.3	45.6	0	0	0	0	116.8	N1166	N1166-T1168 PolarHBondContact O-N 3.07Å; N1166-T1168 VanDerWaalsContact O-N 3.08Å
1169	T	33.5	Very low	47.7	Very low	112.8 Å²	112.8	104.2 Å²	104.2	69%	0.692	54%	0.543	S	S	*	.			trans	-123.6	103.6	175.4	45.3	0	0	0	0	111.5	K1167 N1171 T1172	K1167-T1169 PolarHBondContact O-N 2.93Å; T1169-N1171 VanDerWaalsContact C-N 3.25Å; T1169-N1171 PolarHBondContact O-N 3.1Å; T1169-T1172 PolarHBondContact O-N 2.77Å; T1169-T1172 PolarHBondContact O-OG1 2.9Å; T1169-T1172 PolarHBondContact OG1-OG1 3.31Å
1170	V	37.3	Very low	47.8	Very low	132.4 Å²	132.4	101 Å²	101	80%	0.802	53%	0.533	S	S	*	.			trans	-52.9	30.6	178.4	177.4	0	0	0	0	114.1	N1173	V1170-N1173 PolarHBondContact O-ND2 3.27Å; V1170-N1173 PolarHBondContact O-OD1 2.75Å
1171	N	35.9	Very low	48.2	Very low	139.4 Å²	139.4	98.2 Å²	98.2	75%	0.745	53%	0.526	S	S	*	.	S	Bend	trans	-130.9	47.6	175.2	-77	-5.5	0	0	0	115.4	T1169 N1173	T1169-N1171 VanDerWaalsContact C-N 3.25Å; T1169-N1171 PolarHBondContact O-N 3.1Å; N1171-N1173 PolarHBondContact O-N 3.19Å
1172	T	37.3	Very low	48.7	Very low	117.4 Å²	117.4	99.4 Å²	99.4	72%	0.72	53%	0.528	S	S	*	.			trans	-148.2	77.5	162.6	58.9	0	0	0	0	114.4	T1169 E1174	T1169-T1172 PolarHBondContact O-N 2.77Å; T1169-T1172 PolarHBondContact O-OG1 2.9Å; T1169-T1172 PolarHBondContact OG1-OG1 3.31Å; T1172-E1174 VanDerWaalsContact C-N 3.32Å; T1172-E1174 PolarHBondContact O-N 2.84Å; T1172-E1174 VanDerWaalsContact O-N 3.17Å
1173	N	36.7	Very low	49.6	Very low	137.8 Å²	137.8	97.5 Å²	97.5	74%	0.737	52%	0.521	S	S	*	.			trans	-94.8	72.3	171.3	-68.1	-20.7	0	0	0	113	N1165 V1170 N1171 N1175	N1165-N1173 PolarHBondContact ND2-O 3.48Å; N1165-N1173 VanDerWaalsContact ND2-O 3.09Å; V1170-N1173 PolarHBondContact O-ND2 3.27Å; V1170-N1173 PolarHBondContact O-OD1 2.75Å; N1171-N1173 PolarHBondContact O-N 3.19Å; N1173-N1175 PolarHBondContact O-N 3.15Å; N1173-N1175 VanDerWaalsContact O-N 3.08Å
1174	E	41.9	Very low	50.7	Low	111.4 Å²	111.4	97.5 Å²	97.5	52%	0.521	52%	0.515	S	S	.	.			trans	-76.2	104.4	169.4	-68.7	-172.2	146	0	0	112	T1172 D1176 K1217	T1172-E1174 VanDerWaalsContact C-N 3.32Å; T1172-E1174 PolarHBondContact O-N 2.84Å; T1172-E1174 VanDerWaalsContact O-N 3.17Å; E1174-D1176 PolarHBondContact O-N 2.97Å; E1174-K1217 IonicContact OE1-NZ 2.59Å
1175	N	46.1	Very low	52	Low	83.2 Å²	83.2	92.6 Å²	92.6	45%	0.445	49%	0.491	S	S	.	.			trans	-78.6	89.5	168.7	-75.1	-14.5	0	0	0	109.4	E1162 T1163 L1164 N1165 N1173 K1177	E1162-N1175 PolarHBondContact OE2-ND2 2.78Å; T1163-N1175 PolarHBondContact OG1-O 2.85Å; L1164-N1175 VanDerWaalsContact CD1-OD1 3.31Å; L1164-N1175 WeakPolarHBondContact CD1-OD1 3.16Å; N1165-N1175 WeakPolarHBondContact CB-OD1 3.15Å; N1165-N1175 VanDerWaalsContact CG-OD1 3.29Å; N1165-N1175 PolarHBondContact ND2-OD1 2.95Å; N1173-N1175 PolarHBondContact O-N 3.15Å; N1173-N1175 VanDerWaalsContact O-N 3.08Å; N1175-K1177 PolarHBondContact O-N 3.5Å
1176	D	50.6	Low	53.3	Low	51.4 Å²	51.4	89.8 Å²	89.8	28%	0.275	47%	0.474	S	S	.	.			trans	-79.2	126.1	-179.7	-70.2	-29.4	0	0	0	111.3	E1162 T1163 E1174 N1178 F1202 T1204	E1162-D1176 CarbonylContact C-O 3.54Å; E1162-D1176 VanDerWaalsContact CA-O 3.27Å; E1162-D1176 WeakPolarHBondContact CA-O 3.2Å; T1163-D1176 PolarHBondContact N-O 3.46Å; T1163-D1176 PolarHBondContact O-N 3.2Å; T1163-D1176 PolarHBondContact OG1-O 3.3Å; E1174-D1176 PolarHBondContact O-N 2.97Å; D1176-N1178 PolarHBondContact O-N 2.92Å; D1176-F1202 HydrophobicContact CB-CB 4.24Å; D1176-F1202 HydrophobicContact CB-CD1 4.05Å; D1176-F1202 HydrophobicContact CB-CD2 4.16Å; D1176-F1202 HydrophobicContact CB-CE2 3.52Å; D1176-F1202 HydrophobicContact CB-CZ 3.75Å; D1176-F1202 VanDerWaalsContact OD1-CZ 3.22Å; D1176-F1202 WeakPolarHBondContact OD1-CZ 3.33Å; D1176-F1202 WeakPolarHBondContact OD2-CE2 3.28Å; D1176-F1202 WeakPolarHBondContact OD2-CZ 3.38Å; D1176-T1204 WeakPolarHBondContact OD1-CA 3.03Å; D1176-T1204 WeakPolarHBondContact OD1-CG2 3.22Å
1177	K	57.9	Low	54.7	Low	99.2 Å²	99.2	84.1 Å²	84.1	43%	0.431	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.7	166.8	-68.6	-171.8	179.2	-144.8	0	108.5	N1161 E1162 N1175 F1202 K1203	N1161-K1177 CarbonylContact O-C 3.52Å; N1161-K1177 WeakPolarHBondContact O-CA 3.44Å; E1162-K1177 HydrophobicContact CG-CD 4.48Å; E1162-K1177 HydrophobicContact CG-CG 4.03Å; E1162-K1177 WeakPolarHBondContact OE1-CD 3.49Å; E1162-K1177 VanDerWaalsContact OE1-CE 3.32Å; E1162-K1177 WeakPolarHBondContact OE1-CE 3.18Å; E1162-K1177 IonicContact OE1-NZ 3.18Å; E1162-K1177 PolarHBondContact OE1-NZ 3.02Å; N1175-K1177 PolarHBondContact O-N 3.5Å; K1177-F1202 CarbonylContact O-C 3.57Å; K1177-F1202 WeakPolarHBondContact O-CA 3.41Å; K1177-K1203 PolarHBondContact N-O 2.97Å; K1177-K1203 PolarHBondContact O-N 3.06Å
1178	N	63	Low	55.9	Low	39.8 Å²	39.8	76.8 Å²	76.8	21%	0.213	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.1	-178.9	142.8	9.9	0	0	0	111.1	W1160 N1161 T1163 D1176 T1180 M1201 F1202	W1160-N1178 CarbonylContact C-O 3.47Å; W1160-N1178 VanDerWaalsContact CA-O 3.27Å; W1160-N1178 WeakPolarHBondContact CA-O 3.24Å; N1161-N1178 WeakPolarHBondContact CB-OD1 3.25Å; N1161-N1178 VanDerWaalsContact CG-CG 3.49Å; N1161-N1178 PolarHBondContact N-O 3.07Å; N1161-N1178 PolarHBondContact N-OD1 2.83Å; N1161-N1178 PolarHBondContact ND2-ND2 3.15Å; N1161-N1178 VanDerWaalsContact ND2-ND2 3.17Å; N1161-N1178 PolarHBondContact ND2-OD1 2.99Å; N1161-N1178 PolarHBondContact O-N 3.06Å; N1161-N1178 VanDerWaalsContact O-N 3.12Å; N1161-N1178 PolarHBondContact O-OD1 3.22Å; N1161-N1178 VanDerWaalsContact O-OD1 3.13Å; N1161-N1178 PolarHBondContact OD1-N 2.95Å; N1161-N1178 PolarHBondContact OD1-OD1 2.83Å; T1163-N1178 WeakPolarHBondContact CG2-ND2 3.25Å; T1163-N1178 PolarHBondContact OG1-ND2 3.3Å; D1176-N1178 PolarHBondContact O-N 2.92Å; N1178-T1180 HydrophobicContact CB-CG2 4.39Å; N1178-M1201 CarbonylContact C-O 3.53Å; N1178-M1201 WeakPolarHBondContact CA-O 3.25Å; N1178-M1201 PolarHBondContact OD1-O 3.04Å; N1178-F1202 HydrophobicContact CB-CD1 4.22Å; N1178-F1202 HydrophobicContact CB-CE1 4.06Å; N1178-F1202 HydrophobicContact CB-CZ 4.07Å; N1178-F1202 VanDerWaalsContact CG-CZ 3.42Å; N1178-F1202 VanDerWaalsContact ND2-CZ 3.26Å; N1178-F1202 WeakPolarHBondContact ND2-CZ 3.47Å; N1178-F1202 WeakPolarHBondContact OD1-CA 3.47Å; N1178-F1202 VanDerWaalsContact OD1-CB 3.23Å; N1178-F1202 WeakPolarHBondContact OD1-CB 3.47Å; N1178-F1202 WeakPolarHBondContact OD1-CD2 3.35Å; N1178-F1202 VanDerWaalsContact OD1-CG 3.3Å; N1178-F1202 WeakPolarHBondContact OD1-CG 3.23Å
1179	I	67.2	Low	56.8	Low	60.8 Å²	60.8	74.2 Å²	74.2	31%	0.312	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.1	167.6	-60.8	170.6	0	0	0	106.8	I1158 Y1159 W1160 I1181 I1199 N1200 M1201	I1158-I1179 HydrophobicContact CG2-CG2 4.18Å; Y1159-I1179 CarbonylContact O-C 3.53Å; Y1159-I1179 VanDerWaalsContact O-CA 3.24Å; Y1159-I1179 WeakPolarHBondContact O-CA 3.09Å; W1160-I1179 HydrophobicContact CB-CB 4.45Å; W1160-I1179 HydrophobicContact CB-CG1 4.19Å; W1160-I1179 HydrophobicContact CB-CG2 4.42Å; W1160-I1179 HydrophobicContact CD2-CG1 4.49Å; W1160-I1179 HydrophobicContact CG-CG1 4.07Å; I1179-I1181 HydrophobicContact CG2-CD1 4.46Å; I1179-I1181 HydrophobicContact CG2-CG1 4.21Å; I1179-I1199 VanDerWaalsContact O-O 3.12Å; I1179-N1200 CarbonylContact O-C 3.48Å; I1179-N1200 WeakPolarHBondContact O-CA 3.22Å; I1179-M1201 HydrophobicContact CB-CB 4.38Å; I1179-M1201 HydrophobicContact CB-CE 3.84Å; I1179-M1201 HydrophobicContact CD1-CE 4.1Å; I1179-M1201 HydrophobicContact CG1-CE 4.43Å; I1179-M1201 HydrophobicContact CG2-CE 3.68Å; I1179-M1201 PolarHBondContact N-O 3.04Å; I1179-M1201 PolarHBondContact O-N 3Å
1180	T	70.2	Confident	57.6	Low	24.6 Å²	24.6	72 Å²	72	15%	0.151	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111	175.4	-20.3	0	0	0	0	109.3	Y1159 N1178 K1182 I1199 N1200	Y1159-T1180 WeakPolarHBondContact CB-OG1 3.14Å; Y1159-T1180 HydrophobicContact CD2-CG2 4.44Å; Y1159-T1180 PolarHBondContact N-O 2.95Å; Y1159-T1180 PolarHBondContact O-N 3.14Å; Y1159-T1180 PolarHBondContact O-OG1 2.84Å; N1178-T1180 HydrophobicContact CB-CG2 4.39Å; T1180-K1182 HydrophobicContact CG2-CD 4.36Å; T1180-K1182 HydrophobicContact CG2-CG 3.78Å; T1180-I1199 CarbonylContact C-O 3.25Å; T1180-I1199 VanDerWaalsContact CA-O 3.3Å; T1180-I1199 WeakPolarHBondContact CA-O 3.34Å; T1180-N1200 WeakPolarHBondContact CB-OD1 3.45Å; T1180-N1200 WeakPolarHBondContact CG2-OD1 3.32Å; T1180-N1200 PolarHBondContact OG1-OD1 3.26Å
1181	I	71.6	Confident	58.3	Low	47.8 Å²	47.8	71.5 Å²	71.5	25%	0.245	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.8	169.7	-56.1	171.6	0	0	0	106.8	S1157 I1158 I1179 T1183 T1198 I1199 M1201	S1157-I1181 CarbonylContact O-C 3.46Å; S1157-I1181 VanDerWaalsContact O-CA 3.26Å; S1157-I1181 WeakPolarHBondContact O-CA 3.36Å; I1158-I1181 HydrophobicContact CG1-CG1 4.34Å; I1158-I1181 HydrophobicContact CG1-CG2 4.27Å; I1158-I1181 HydrophobicContact CG2-CG1 4.38Å; I1179-I1181 HydrophobicContact CG2-CD1 4.46Å; I1179-I1181 HydrophobicContact CG2-CG1 4.21Å; I1181-T1183 HydrophobicContact CG2-CG2 4.09Å; I1181-T1198 CarbonylContact O-C 3.57Å; I1181-T1198 VanDerWaalsContact O-CA 3.28Å; I1181-T1198 WeakPolarHBondContact O-CA 3.39Å; I1181-I1199 HydrophobicContact CB-CB 4.27Å; I1181-I1199 PolarHBondContact N-O 3.18Å; I1181-I1199 PolarHBondContact O-N 3.1Å; I1181-M1201 HydrophobicContact CD1-CE 3.94Å; I1181-M1201 HydrophobicContact CG1-CE 4.46Å
1182	K	71.3	Confident	59	Low	89.4 Å²	89.4	70.6 Å²	70.6	39%	0.389	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.2	171.2	-55.6	-165.1	175.3	-171.7	0	109.5	N1156 S1157 Y1159 T1180 E1196 C1197 T1198	N1156-K1182 CarbonylContact C-O 3.59Å; N1156-K1182 VanDerWaalsContact CA-O 3.29Å; N1156-K1182 WeakPolarHBondContact CA-O 3.16Å; N1156-K1182 PolarHBondContact OD1-O 3.43Å; S1157-K1182 PolarHBondContact N-O 3.25Å; S1157-K1182 PolarHBondContact O-N 3.16Å; S1157-K1182 WeakPolarHBondContact OG-CB 3.23Å; S1157-K1182 PolarHBondContact OG-O 2.78Å; Y1159-K1182 HydrophobicContact CD2-CB 4.45Å; Y1159-K1182 HydrophobicContact CD2-CG 4.34Å; Y1159-K1182 HydrophobicContact CE2-CB 4.43Å; Y1159-K1182 HydrophobicContact CE2-CD 4.02Å; Y1159-K1182 HydrophobicContact CE2-CG 4.01Å; T1180-K1182 HydrophobicContact CG2-CD 4.36Å; T1180-K1182 HydrophobicContact CG2-CG 3.78Å; K1182-E1196 IonicContact NZ-OE1 3.92Å; K1182-C1197 CarbonylContact C-O 3.6Å; K1182-C1197 WeakPolarHBondContact CA-O 3.27Å; K1182-T1198 HydrophobicContact CB-CG2 4.28Å; K1182-T1198 HydrophobicContact CD-CG2 4.04Å; K1182-T1198 HydrophobicContact CG-CG2 3.84Å
1183	T	73	Confident	59.7	Low	26.6 Å²	26.6	70.2 Å²	70.2	16%	0.163	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.6	171.7	57.1	0	0	0	0	108.3	Q1155 N1156 I1181 Y1195 E1196 C1197	Q1155-T1183 CarbonylContact O-C 3.5Å; Q1155-T1183 WeakPolarHBondContact O-CA 3.43Å; N1156-T1183 HydrophobicContact CB-CG2 4.38Å; N1156-T1183 WeakPolarHBondContact ND2-CG2 3.46Å; N1156-T1183 VanDerWaalsContact OD1-CB 3.25Å; N1156-T1183 WeakPolarHBondContact OD1-CB 3.35Å; N1156-T1183 VanDerWaalsContact OD1-CG2 3.22Å; N1156-T1183 WeakPolarHBondContact OD1-CG2 3.35Å; I1181-T1183 HydrophobicContact CG2-CG2 4.09Å; T1183-Y1195 WeakPolarHBondContact OG1-CE2 3.27Å; T1183-E1196 WeakPolarHBondContact O-CA 3.42Å; T1183-C1197 PolarHBondContact N-O 2.88Å; T1183-C1197 PolarHBondContact O-N 2.9Å; T1183-C1197 VanDerWaalsContact OG1-CB 3.3Å; T1183-C1197 WeakPolarHBondContact OG1-CB 3.38Å; T1183-C1197 PolarHBondContact OG1-O 2.84Å
1184	K	72.4	Confident	60.8	Low	74.2 Å²	74.2	66 Å²	66	32%	0.323	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.2	176	-168.5	-178.6	-173.4	-169.9	0	108.8	Y1154 Q1155 Q1186 D1194 Y1195 E1196	Y1154-K1184 CarbonylContact C-O 3.53Å; Y1154-K1184 WeakPolarHBondContact CA-O 3.46Å; Q1155-K1184 HydrophobicContact CB-CB 4.43Å; Q1155-K1184 PolarHBondContact N-O 2.93Å; Q1155-K1184 PolarHBondContact O-N 3.21Å; K1184-Q1186 HydrophobicContact CD-CG 4.19Å; K1184-Q1186 VanDerWaalsContact CE-CD 3.42Å; K1184-Q1186 VanDerWaalsContact CE-NE2 3.31Å; K1184-Q1186 HydrophobicContact CG-CG 4.17Å; K1184-Q1186 VanDerWaalsContact NZ-CD 3.3Å; K1184-Q1186 VanDerWaalsContact NZ-NE2 3.12Å; K1184-D1194 WeakPolarHBondContact CE-OD1 3.35Å; K1184-Y1195 CarbonylContact C-O 3.54Å; K1184-Y1195 VanDerWaalsContact CA-O 3.29Å; K1184-Y1195 WeakPolarHBondContact CA-O 3.2Å; K1184-E1196 HydrophobicContact CB-CB 4.48Å; K1184-E1196 HydrophobicContact CB-CG 4.32Å; K1184-E1196 HydrophobicContact CD-CB 4.47Å; K1184-E1196 HydrophobicContact CG-CB 4.31Å; K1184-E1196 IonicContact NZ-OE2 2.65Å; K1184-E1196 PolarHBondContact NZ-OE2 2.76Å
1185	A	69.7	Low	61.8	Low	16 Å²	16	64.7 Å²	64.7	13%	0.132	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.6	170.1	0	0	0	0	0	109.1	V1153 Y1154 F1193 D1194 Y1195	V1153-A1185 CarbonylContact O-C 3.44Å; V1153-A1185 WeakPolarHBondContact O-CA 3.26Å; Y1154-A1185 HydrophobicContact CD2-CB 4.27Å; A1185-F1193 CarbonylContact C-O 3.55Å; A1185-F1193 HydrophobicContact CB-CD1 4.42Å; A1185-F1193 HydrophobicContact CB-CE1 4.1Å; A1185-F1193 VanDerWaalsContact O-O 3.08Å; A1185-D1194 CarbonylContact O-C 3.57Å; A1185-D1194 WeakPolarHBondContact O-CA 3.27Å; A1185-Y1195 HydrophobicContact CB-CD1 3.81Å; A1185-Y1195 HydrophobicContact CB-CD2 4.12Å; A1185-Y1195 HydrophobicContact CB-CE1 3.26Å; A1185-Y1195 HydrophobicContact CB-CE2 3.49Å; A1185-Y1195 VanDerWaalsContact CB-CE2 3.49Å; A1185-Y1195 HydrophobicContact CB-CG 4.36Å; A1185-Y1195 WeakPolarHBondContact CB-OH 3.11Å; A1185-Y1195 PolarHBondContact N-O 3.11Å; A1185-Y1195 VanDerWaalsContact N-O 3.15Å; A1185-Y1195 PolarHBondContact O-N 3.14Å; A1185-Y1195 VanDerWaalsContact O-N 3.15Å
1186	Q	69.4	Low	63	Low	58.4 Å²	58.4	64.4 Å²	64.4	27%	0.273	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138	177.5	-62.8	-167.1	-66.7	0	0	109.8	F1151 L1152 V1153 K1184 F1193 D1194	F1151-Q1186 HydrophobicContact CE2-CB 4.11Å; L1152-Q1186 CarbonylContact C-O 3.51Å; L1152-Q1186 VanDerWaalsContact CA-O 3.3Å; L1152-Q1186 WeakPolarHBondContact CA-O 3.29Å; V1153-Q1186 HydrophobicContact CB-CB 4.24Å; V1153-Q1186 PolarHBondContact N-O 2.93Å; V1153-Q1186 PolarHBondContact O-N 3.1Å; V1153-Q1186 VanDerWaalsContact O-N 3.13Å; K1184-Q1186 HydrophobicContact CD-CG 4.19Å; K1184-Q1186 VanDerWaalsContact CE-CD 3.42Å; K1184-Q1186 VanDerWaalsContact CE-NE2 3.31Å; K1184-Q1186 HydrophobicContact CG-CG 4.17Å; K1184-Q1186 VanDerWaalsContact NZ-CD 3.3Å; K1184-Q1186 VanDerWaalsContact NZ-NE2 3.12Å; Q1186-F1193 CarbonylContact C-O 3.32Å; Q1186-F1193 VanDerWaalsContact CA-O 3.28Å; Q1186-F1193 WeakPolarHBondContact CA-O 3.3Å; Q1186-D1194 WeakPolarHBondContact CA-OD1 3.28Å; Q1186-D1194 WeakPolarHBondContact CB-OD1 3.33Å; Q1186-D1194 HydrophobicContact CG-CB 3.96Å; Q1186-D1194 VanDerWaalsContact CG-OD1 3.23Å; Q1186-D1194 WeakPolarHBondContact CG-OD1 3.33Å; Q1186-D1194 WeakPolarHBondContact CG-OD2 3.5Å; Q1186-D1194 PolarHBondContact NE2-OD1 2.96Å; Q1186-D1194 PolarHBondContact NE2-OD2 2.8Å
1187	S	67.4	Low	63.9	Low	20.2 Å²	20.2	62.8 Å²	62.8	14%	0.141	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141	175	-176.7	0	0	0	0	111.6	F1151 V1189 S1190 H1192 F1193	F1151-S1187 CarbonylContact O-C 3.45Å; F1151-S1187 WeakPolarHBondContact O-CA 3.27Å; F1151-S1187 WeakPolarHBondContact O-CB 3.24Å; F1151-S1187 PolarHBondContact O-OG 3Å; S1187-V1189 PolarHBondContact OG-N 2.92Å; S1187-S1190 PolarHBondContact OG-OG 3.2Å; S1187-H1192 PolarHBondContact O-ND1 3.13Å; S1187-F1193 PolarHBondContact N-O 2.94Å
1188	S	62.4	Low	64.4	Low	35.6 Å²	35.6	59 Å²	59	25%	0.249	31%	0.306	C	S	.	.	S	Bend	trans	-86.9	-10	171.3	59.1	0	0	0	0	114.7	E1149 H1150 F1151 S1190	E1149-S1188 PolarHBondContact O-OG 3.11Å; H1150-S1188 VanDerWaalsContact CA-OG 3.29Å; H1150-S1188 WeakPolarHBondContact CA-OG 3.35Å; H1150-S1188 PolarHBondContact ND1-O 2.77Å; F1151-S1188 WeakPolarHBondContact CD1-OG 3.37Å; F1151-S1188 VanDerWaalsContact CE1-CB 3.46Å; F1151-S1188 WeakPolarHBondContact CE1-OG 3.18Å; F1151-S1188 VanDerWaalsContact CZ-CB 3.47Å; F1151-S1188 PolarHBondContact N-OG 3.21Å; F1151-S1188 VanDerWaalsContact N-OG 3.08Å; F1151-S1188 PolarHBondContact O-N 3.14Å; F1151-S1188 VanDerWaalsContact O-N 3.14Å; F1151-S1188 PolarHBondContact O-OG 2.89Å; S1188-S1190 VanDerWaalsContact C-N 3.33Å
1189	V	57.2	Low	64.6	Low	80.8 Å²	80.8	59.4 Å²	59.4	49%	0.49	31%	0.307	S	S	.	.	S	Bend	trans	-73.1	-45.3	177.2	-165.6	0	0	0	0	110.5	H1150 S1187 N1191 H1192	H1150-V1189 HydrophobicContact CB-CB 3.87Å; H1150-V1189 HydrophobicContact CB-CG1 4.5Å; H1150-V1189 HydrophobicContact CB-CG2 3.69Å; H1150-V1189 VanDerWaalsContact CB-CG2 3.46Å; H1150-V1189 WeakPolarHBondContact CD2-CA 3.29Å; H1150-V1189 VanDerWaalsContact CD2-CG2 3.41Å; H1150-V1189 WeakPolarHBondContact CD2-CG2 3.39Å; H1150-V1189 PolarHBondContact CD2-N 3.15Å; S1187-V1189 PolarHBondContact OG-N 2.92Å; V1189-N1191 CarbonylContact O-C 3.55Å; V1189-N1191 WeakPolarHBondContact O-CA 3.43Å; V1189-N1191 PolarHBondContact O-N 2.88Å; V1189-N1191 VanDerWaalsContact O-O 3.1Å; V1189-H1192 PolarHBondContact O-N 2.73Å
1190	S	51.2	Low	64.5	Low	65 Å²	65	58.4 Å²	58.4	46%	0.455	30%	0.303	S	S	.	.			trans	-93.6	73.6	-170.1	57.8	0	0	0	0	112.8	S1187 S1188 H1192 F1193	S1187-S1190 PolarHBondContact OG-OG 3.2Å; S1188-S1190 VanDerWaalsContact C-N 3.33Å; S1190-H1192 PolarHBondContact O-N 3.09Å; S1190-F1193 PolarHBondContact O-N 3.11Å; S1190-F1193 VanDerWaalsContact O-N 3.15Å; S1190-F1193 VanDerWaalsContact OG-CB 3.28Å; S1190-F1193 WeakPolarHBondContact OG-CB 3.44Å; S1190-F1193 VanDerWaalsContact OG-CD2 3.32Å; S1190-F1193 WeakPolarHBondContact OG-CD2 3.38Å; S1190-F1193 WeakPolarHBondContact OG-CG 3.25Å; S1190-F1193 PolarHBondContact OG-N 2.97Å
1191	N	51.2	Low	64.1	Low	121.6 Å²	121.6	60.1 Å²	60.1	65%	0.65	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	38.3	164.1	-66.8	-26.7	0	0	0	110.8	V1189 F1193 P1227 N1228 Y1564	V1189-N1191 CarbonylContact O-C 3.55Å; V1189-N1191 WeakPolarHBondContact O-CA 3.43Å; V1189-N1191 PolarHBondContact O-N 2.88Å; V1189-N1191 VanDerWaalsContact O-O 3.1Å; N1191-F1193 VanDerWaalsContact C-N 3.3Å; N1191-F1193 PolarHBondContact O-N 2.99Å; N1191-P1227 WeakPolarHBondContact O-CG 3.35Å; N1191-N1228 VanDerWaalsContact C-ND2 3.26Å; N1191-N1228 WeakPolarHBondContact CB-ND2 3.26Å; N1191-N1228 WeakPolarHBondContact O-CB 3.4Å; N1191-N1228 VanDerWaalsContact O-CG 3.29Å; N1191-N1228 PolarHBondContact O-ND2 2.87Å; N1191-Y1564 PolarHBondContact ND2-OH 2.99Å; N1191-Y1564 VanDerWaalsContact ND2-OH 3.15Å
1192	H	50.4	Low	63.6	Low	122.2 Å²	122.2	60.2 Å²	60.2	57%	0.566	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	32	-179.2	-70.4	-15.2	0	0	0	112.1	S1187 V1189 S1190 D1194	S1187-H1192 PolarHBondContact O-ND1 3.13Å; V1189-H1192 PolarHBondContact O-N 2.73Å; S1190-H1192 PolarHBondContact O-N 3.09Å; H1192-D1194 PolarHBondContact O-N 3.27Å
1193	F	53.8	Low	62.8	Low	108.6 Å²	108.6	59.4 Å²	59.4	48%	0.476	31%	0.305	S	S	.	.			trans	-104.1	62.9	-179.7	-126.5	-90.9	0	0	0	110.3	A1185 Q1186 S1187 S1190 N1191 Y1195	A1185-F1193 CarbonylContact C-O 3.55Å; A1185-F1193 HydrophobicContact CB-CD1 4.42Å; A1185-F1193 HydrophobicContact CB-CE1 4.1Å; A1185-F1193 VanDerWaalsContact O-O 3.08Å; Q1186-F1193 CarbonylContact C-O 3.32Å; Q1186-F1193 VanDerWaalsContact CA-O 3.28Å; Q1186-F1193 WeakPolarHBondContact CA-O 3.3Å; S1187-F1193 PolarHBondContact N-O 2.94Å; S1190-F1193 PolarHBondContact O-N 3.11Å; S1190-F1193 VanDerWaalsContact O-N 3.15Å; S1190-F1193 VanDerWaalsContact OG-CB 3.28Å; S1190-F1193 WeakPolarHBondContact OG-CB 3.44Å; S1190-F1193 VanDerWaalsContact OG-CD2 3.32Å; S1190-F1193 WeakPolarHBondContact OG-CD2 3.38Å; S1190-F1193 WeakPolarHBondContact OG-CG 3.25Å; S1190-F1193 PolarHBondContact OG-N 2.97Å; N1191-F1193 VanDerWaalsContact C-N 3.3Å; N1191-F1193 PolarHBondContact O-N 2.99Å; F1193-Y1195 HydrophobicContact CD1-CD1 4.08Å; F1193-Y1195 AromaticContact CD1-CD2 3.45Å; F1193-Y1195 HydrophobicContact CD1-CD2 3.45Å; F1193-Y1195 VanDerWaalsContact CD1-CD2 3.45Å; F1193-Y1195 HydrophobicContact CD1-CE1 4.28Å; F1193-Y1195 HydrophobicContact CD1-CE2 4.07Å; F1193-Y1195 HydrophobicContact CD1-CG 4.16Å; F1193-Y1195 AromaticContact CD2-CD2 3.62Å; F1193-Y1195 HydrophobicContact CD2-CD2 3.62Å; F1193-Y1195 AromaticContact CD2-CE2 3.31Å; F1193-Y1195 HydrophobicContact CD2-CE2 3.31Å; F1193-Y1195 HydrophobicContact CE1-CD1 4.34Å; F1193-Y1195 AromaticContact CE1-CD2 3.3Å; F1193-Y1195 HydrophobicContact CE1-CD2 3.3Å; F1193-Y1195 AromaticContact CE1-CE2 3.99Å; F1193-Y1195 HydrophobicContact CE1-CE2 3.99Å; F1193-Y1195 AromaticContact CE1-CG 3.58Å; F1193-Y1195 HydrophobicContact CE1-CG 3.91Å; F1193-Y1195 HydrophobicContact CE2-CD1 4.44Å; F1193-Y1195 AromaticContact CE2-CD2 3.48Å; F1193-Y1195 HydrophobicContact CE2-CD2 3.48Å; F1193-Y1195 VanDerWaalsContact CE2-CD2 3.48Å; F1193-Y1195 HydrophobicContact CE2-CE1 4.21Å; F1193-Y1195 AromaticContact CE2-CE2 3.21Å; F1193-Y1195 HydrophobicContact CE2-CE2 3.21Å; F1193-Y1195 HydrophobicContact CE2-CG 4.11Å; F1193-Y1195 AromaticContact CE2-CZ 3.6Å; F1193-Y1195 AromaticContact CG-CD2 3.61Å; F1193-Y1195 HydrophobicContact CG-CD2 3.61Å; F1193-Y1195 AromaticContact CG-CE2 3.75Å; F1193-Y1195 HydrophobicContact CG-CE2 3.75Å; F1193-Y1195 VanDerWaalsContact CZ-CB 3.43Å; F1193-Y1195 AromaticContact CZ-CD1 3.98Å; F1193-Y1195 HydrophobicContact CZ-CD1 3.98Å; F1193-Y1195 AromaticContact CZ-CD2 3.31Å; F1193-Y1195 HydrophobicContact CZ-CD2 3.8Å; F1193-Y1195 HydrophobicContact CZ-CE1 4.18Å; F1193-Y1195 AromaticContact CZ-CE2 3.58Å; F1193-Y1195 HydrophobicContact CZ-CE2 3.58Å; F1193-Y1195 AromaticContact CZ-CG 3.77Å; F1193-Y1195 HydrophobicContact CZ-CG 3.77Å; F1193-Y1195 AromaticContact CZ-CZ 3.99Å
1194	D	58.1	Low	62	Low	49.6 Å²	49.6	59.3 Å²	59.3	27%	0.265	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.4	161	-95.4	-13.3	0	0	0	107.2	K1184 A1185 Q1186 H1192 S1226 P1227 N1228	K1184-D1194 WeakPolarHBondContact CE-OD1 3.35Å; A1185-D1194 CarbonylContact O-C 3.57Å; A1185-D1194 WeakPolarHBondContact O-CA 3.27Å; Q1186-D1194 WeakPolarHBondContact CA-OD1 3.28Å; Q1186-D1194 WeakPolarHBondContact CB-OD1 3.33Å; Q1186-D1194 HydrophobicContact CG-CB 3.96Å; Q1186-D1194 VanDerWaalsContact CG-OD1 3.23Å; Q1186-D1194 WeakPolarHBondContact CG-OD1 3.33Å; Q1186-D1194 WeakPolarHBondContact CG-OD2 3.5Å; Q1186-D1194 PolarHBondContact NE2-OD1 2.96Å; Q1186-D1194 PolarHBondContact NE2-OD2 2.8Å; H1192-D1194 PolarHBondContact O-N 3.27Å; D1194-S1226 WeakPolarHBondContact O-CA 3.27Å; D1194-S1226 WeakPolarHBondContact O-CB 3.02Å; D1194-S1226 PolarHBondContact O-OG 2.98Å; D1194-P1227 HydrophobicContact CB-CB 4.3Å; D1194-P1227 HydrophobicContact CB-CG 4.03Å; D1194-P1227 VanDerWaalsContact O-CD 3.28Å; D1194-P1227 WeakPolarHBondContact O-CD 3.32Å; D1194-N1228 WeakPolarHBondContact CB-ND2 3.34Å
1195	Y	64.2	Low	60.9	Low	83 Å²	83	62.8 Å²	62.8	33%	0.325	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.6	174.9	145.6	-99.3	0	0	0	109.1	T1183 K1184 A1185 F1193 C1197 V1224 V1225	T1183-Y1195 WeakPolarHBondContact OG1-CE2 3.27Å; K1184-Y1195 CarbonylContact C-O 3.54Å; K1184-Y1195 VanDerWaalsContact CA-O 3.29Å; K1184-Y1195 WeakPolarHBondContact CA-O 3.2Å; A1185-Y1195 HydrophobicContact CB-CD1 3.81Å; A1185-Y1195 HydrophobicContact CB-CD2 4.12Å; A1185-Y1195 HydrophobicContact CB-CE1 3.26Å; A1185-Y1195 HydrophobicContact CB-CE2 3.49Å; A1185-Y1195 VanDerWaalsContact CB-CE2 3.49Å; A1185-Y1195 HydrophobicContact CB-CG 4.36Å; A1185-Y1195 WeakPolarHBondContact CB-OH 3.11Å; A1185-Y1195 PolarHBondContact N-O 3.11Å; A1185-Y1195 VanDerWaalsContact N-O 3.15Å; A1185-Y1195 PolarHBondContact O-N 3.14Å; A1185-Y1195 VanDerWaalsContact O-N 3.15Å; F1193-Y1195 HydrophobicContact CD1-CD1 4.08Å; F1193-Y1195 AromaticContact CD1-CD2 3.45Å; F1193-Y1195 HydrophobicContact CD1-CD2 3.45Å; F1193-Y1195 VanDerWaalsContact CD1-CD2 3.45Å; F1193-Y1195 HydrophobicContact CD1-CE1 4.28Å; F1193-Y1195 HydrophobicContact CD1-CE2 4.07Å; F1193-Y1195 HydrophobicContact CD1-CG 4.16Å; F1193-Y1195 AromaticContact CD2-CD2 3.62Å; F1193-Y1195 HydrophobicContact CD2-CD2 3.62Å; F1193-Y1195 AromaticContact CD2-CE2 3.31Å; F1193-Y1195 HydrophobicContact CD2-CE2 3.31Å; F1193-Y1195 HydrophobicContact CE1-CD1 4.34Å; F1193-Y1195 AromaticContact CE1-CD2 3.3Å; F1193-Y1195 HydrophobicContact CE1-CD2 3.3Å; F1193-Y1195 AromaticContact CE1-CE2 3.99Å; F1193-Y1195 HydrophobicContact CE1-CE2 3.99Å; F1193-Y1195 AromaticContact CE1-CG 3.58Å; F1193-Y1195 HydrophobicContact CE1-CG 3.91Å; F1193-Y1195 HydrophobicContact CE2-CD1 4.44Å; F1193-Y1195 AromaticContact CE2-CD2 3.48Å; F1193-Y1195 HydrophobicContact CE2-CD2 3.48Å; F1193-Y1195 VanDerWaalsContact CE2-CD2 3.48Å; F1193-Y1195 HydrophobicContact CE2-CE1 4.21Å; F1193-Y1195 AromaticContact CE2-CE2 3.21Å; F1193-Y1195 HydrophobicContact CE2-CE2 3.21Å; F1193-Y1195 HydrophobicContact CE2-CG 4.11Å; F1193-Y1195 AromaticContact CE2-CZ 3.6Å; F1193-Y1195 AromaticContact CG-CD2 3.61Å; F1193-Y1195 HydrophobicContact CG-CD2 3.61Å; F1193-Y1195 AromaticContact CG-CE2 3.75Å; F1193-Y1195 HydrophobicContact CG-CE2 3.75Å; F1193-Y1195 VanDerWaalsContact CZ-CB 3.43Å; F1193-Y1195 AromaticContact CZ-CD1 3.98Å; F1193-Y1195 HydrophobicContact CZ-CD1 3.98Å; F1193-Y1195 AromaticContact CZ-CD2 3.31Å; F1193-Y1195 HydrophobicContact CZ-CD2 3.8Å; F1193-Y1195 HydrophobicContact CZ-CE1 4.18Å; F1193-Y1195 AromaticContact CZ-CE2 3.58Å; F1193-Y1195 HydrophobicContact CZ-CE2 3.58Å; F1193-Y1195 AromaticContact CZ-CG 3.77Å; F1193-Y1195 HydrophobicContact CZ-CG 3.77Å; F1193-Y1195 AromaticContact CZ-CZ 3.99Å; Y1195-C1197 HydrophobicContact CD1-CB 4.3Å; Y1195-C1197 HydrophobicContact CD2-CB 3.82Å; Y1195-C1197 HydrophobicContact CE1-CB 3.34Å; Y1195-C1197 VanDerWaalsContact CE1-CB 3.44Å; Y1195-C1197 HydrophobicContact CE2-CB 3.69Å; Y1195-C1197 WeakPolarHBondContact OH-CB 3.32Å; Y1195-V1224 HydrophobicContact CD1-CG1 4.49Å; Y1195-V1224 HydrophobicContact CD2-CG1 3.99Å; Y1195-V1224 HydrophobicContact CE2-CB 4.34Å; Y1195-V1224 HydrophobicContact CE2-CG1 3.27Å; Y1195-V1224 VanDerWaalsContact CE2-CG1 3.48Å; Y1195-V1224 HydrophobicContact CE2-CG2 4.44Å; Y1195-V1224 VanDerWaalsContact CZ-CG1 3.43Å; Y1195-V1224 WeakPolarHBondContact OH-CG1 3.42Å; Y1195-V1224 WeakPolarHBondContact OH-CG2 3.45Å; Y1195-V1225 CarbonylContact C-O 3.3Å; Y1195-V1225 WeakPolarHBondContact CA-O 3.09Å
1196	E	69.7	Low	59.9	Low	77.6 Å²	77.6	65 Å²	65	36%	0.363	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.6	167	-170.8	174.3	172.4	0	0	108	K1182 T1183 K1184 T1198 V1224 V1225	K1182-E1196 IonicContact NZ-OE1 3.92Å; T1183-E1196 WeakPolarHBondContact O-CA 3.42Å; K1184-E1196 HydrophobicContact CB-CB 4.48Å; K1184-E1196 HydrophobicContact CB-CG 4.32Å; K1184-E1196 HydrophobicContact CD-CB 4.47Å; K1184-E1196 HydrophobicContact CG-CB 4.31Å; K1184-E1196 IonicContact NZ-OE2 2.65Å; K1184-E1196 PolarHBondContact NZ-OE2 2.76Å; E1196-T1198 HydrophobicContact CG-CG2 4.13Å; E1196-V1224 CarbonylContact O-C 3.45Å; E1196-V1224 WeakPolarHBondContact O-CA 3.44Å; E1196-V1225 HydrophobicContact CB-CB 4.46Å; E1196-V1225 PolarHBondContact N-O 2.91Å; E1196-V1225 PolarHBondContact O-N 3.24Å; E1196-V1225 VanDerWaalsContact O-N 3.13Å
1197	C	69.7	Low	58.8	Low	17.8 Å²	17.8	66.1 Å²	66.1	12%	0.12	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.2	169.5	175.5	0	0	0	0	108.5	K1182 T1183 Y1195 Y1223 V1224	K1182-C1197 CarbonylContact C-O 3.6Å; K1182-C1197 WeakPolarHBondContact CA-O 3.27Å; T1183-C1197 PolarHBondContact N-O 2.88Å; T1183-C1197 PolarHBondContact O-N 2.9Å; T1183-C1197 VanDerWaalsContact OG1-CB 3.3Å; T1183-C1197 WeakPolarHBondContact OG1-CB 3.38Å; T1183-C1197 PolarHBondContact OG1-O 2.84Å; Y1195-C1197 HydrophobicContact CD1-CB 4.3Å; Y1195-C1197 HydrophobicContact CD2-CB 3.82Å; Y1195-C1197 HydrophobicContact CE1-CB 3.34Å; Y1195-C1197 VanDerWaalsContact CE1-CB 3.44Å; Y1195-C1197 HydrophobicContact CE2-CB 3.69Å; Y1195-C1197 WeakPolarHBondContact OH-CB 3.32Å; C1197-Y1223 CarbonylContact C-O 3.55Å; C1197-Y1223 VanDerWaalsContact CA-O 3.32Å; C1197-Y1223 WeakPolarHBondContact CA-O 3.24Å; C1197-V1224 HydrophobicContact CB-CG1 4.33Å; C1197-V1224 HydrophobicContact CB-CG2 4Å
1198	T	68.6	Low	57.7	Low	19.2 Å²	19.2	71.2 Å²	71.2	12%	0.118	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.7	173.3	61.3	0	0	0	0	108.8	I1181 K1182 E1196 I1222 Y1223	I1181-T1198 CarbonylContact O-C 3.57Å; I1181-T1198 VanDerWaalsContact O-CA 3.28Å; I1181-T1198 WeakPolarHBondContact O-CA 3.39Å; K1182-T1198 HydrophobicContact CB-CG2 4.28Å; K1182-T1198 HydrophobicContact CD-CG2 4.04Å; K1182-T1198 HydrophobicContact CG-CG2 3.84Å; E1196-T1198 HydrophobicContact CG-CG2 4.13Å; T1198-I1222 CarbonylContact O-C 3.54Å; T1198-I1222 VanDerWaalsContact O-CA 3.27Å; T1198-I1222 WeakPolarHBondContact O-CA 3.22Å; T1198-Y1223 PolarHBondContact N-O 3.1Å; T1198-Y1223 VanDerWaalsContact N-O 3.16Å; T1198-Y1223 PolarHBondContact O-N 3.22Å; T1198-Y1223 VanDerWaalsContact O-N 3.1Å; T1198-Y1223 WeakPolarHBondContact OG1-CB 3.2Å; T1198-Y1223 WeakPolarHBondContact OG1-CD2 3.36Å
1199	I	67.6	Low	57	Low	47.8 Å²	47.8	73.4 Å²	73.4	25%	0.245	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	109.4	174.7	-55.2	175.8	0	0	0	106.7	I1179 T1180 I1181 M1201 I1220 H1221 I1222	I1179-I1199 VanDerWaalsContact O-O 3.12Å; T1180-I1199 CarbonylContact C-O 3.25Å; T1180-I1199 VanDerWaalsContact CA-O 3.3Å; T1180-I1199 WeakPolarHBondContact CA-O 3.34Å; I1181-I1199 HydrophobicContact CB-CB 4.27Å; I1181-I1199 PolarHBondContact N-O 3.18Å; I1181-I1199 PolarHBondContact O-N 3.1Å; I1199-M1201 HydrophobicContact CG2-CG 4.03Å; I1199-M1201 HydrophobicContact CG2-SD 4.41Å; I1199-I1220 HydrophobicContact CG2-CG2 4.09Å; I1199-H1221 CarbonylContact C-O 3.44Å; I1199-H1221 WeakPolarHBondContact CA-O 3.29Å; I1199-I1222 HydrophobicContact CG1-CG1 4.18Å; I1199-I1222 HydrophobicContact CG1-CG2 4.24Å; I1199-I1222 HydrophobicContact CG2-CG1 4.2Å
1200	N	66.4	Low	56.4	Low	40.2 Å²	40.2	72.5 Å²	72.5	22%	0.215	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.1	172.8	-65.3	-23.3	0	0	0	108.7	I1179 T1180 F1202 I1220 H1221	I1179-N1200 CarbonylContact O-C 3.48Å; I1179-N1200 WeakPolarHBondContact O-CA 3.22Å; T1180-N1200 WeakPolarHBondContact CB-OD1 3.45Å; T1180-N1200 WeakPolarHBondContact CG2-OD1 3.32Å; T1180-N1200 PolarHBondContact OG1-OD1 3.26Å; N1200-F1202 HydrophobicContact CB-CD2 4.22Å; N1200-F1202 HydrophobicContact CB-CE2 3.71Å; N1200-F1202 VanDerWaalsContact CB-CE2 3.44Å; N1200-F1202 HydrophobicContact CB-CZ 4.02Å; N1200-I1220 CarbonylContact O-C 3.47Å; N1200-I1220 VanDerWaalsContact O-CA 3.31Å; N1200-I1220 WeakPolarHBondContact O-CA 3.35Å; N1200-H1221 HydrophobicContact CB-CB 4.36Å; N1200-H1221 PolarHBondContact N-O 2.93Å; N1200-H1221 PolarHBondContact O-N 2.91Å
1201	M	61.4	Low	56.1	Low	59.8 Å²	59.8	77.1 Å²	77.1	30%	0.295	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.7	172.8	-61.4	-176	-46.4	0	0	109.6	N1178 I1179 I1181 I1199 F1218 Y1219 I1220	N1178-M1201 CarbonylContact C-O 3.53Å; N1178-M1201 WeakPolarHBondContact CA-O 3.25Å; N1178-M1201 PolarHBondContact OD1-O 3.04Å; I1179-M1201 HydrophobicContact CB-CB 4.38Å; I1179-M1201 HydrophobicContact CB-CE 3.84Å; I1179-M1201 HydrophobicContact CD1-CE 4.1Å; I1179-M1201 HydrophobicContact CG1-CE 4.43Å; I1179-M1201 HydrophobicContact CG2-CE 3.68Å; I1179-M1201 PolarHBondContact N-O 3.04Å; I1179-M1201 PolarHBondContact O-N 3Å; I1181-M1201 HydrophobicContact CD1-CE 3.94Å; I1181-M1201 HydrophobicContact CG1-CE 4.46Å; I1199-M1201 HydrophobicContact CG2-CG 4.03Å; I1199-M1201 HydrophobicContact CG2-SD 4.41Å; M1201-F1218 HydrophobicContact CB-CE2 4.43Å; M1201-F1218 HydrophobicContact CE-CE2 3.91Å; M1201-F1218 HydrophobicContact CE-CZ 3.94Å; M1201-Y1219 CarbonylContact C-O 3.59Å; M1201-Y1219 WeakPolarHBondContact CA-O 3.39Å; M1201-I1220 HydrophobicContact CG-CG1 4.26Å; M1201-I1220 HydrophobicContact CG-CG2 4.19Å
1202	F	59.8	Low	55.8	Low	51.4 Å²	51.4	80.8 Å²	80.8	23%	0.225	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.7	176.1	-104.5	-82.5	0	0	0	110.3	D1176 K1177 N1178 N1200 T1204 K1217 F1218 Y1219	D1176-F1202 HydrophobicContact CB-CB 4.24Å; D1176-F1202 HydrophobicContact CB-CD1 4.05Å; D1176-F1202 HydrophobicContact CB-CD2 4.16Å; D1176-F1202 HydrophobicContact CB-CE2 3.52Å; D1176-F1202 HydrophobicContact CB-CZ 3.75Å; D1176-F1202 VanDerWaalsContact OD1-CZ 3.22Å; D1176-F1202 WeakPolarHBondContact OD1-CZ 3.33Å; D1176-F1202 WeakPolarHBondContact OD2-CE2 3.28Å; D1176-F1202 WeakPolarHBondContact OD2-CZ 3.38Å; K1177-F1202 CarbonylContact O-C 3.57Å; K1177-F1202 WeakPolarHBondContact O-CA 3.41Å; N1178-F1202 HydrophobicContact CB-CD1 4.22Å; N1178-F1202 HydrophobicContact CB-CE1 4.06Å; N1178-F1202 HydrophobicContact CB-CZ 4.07Å; N1178-F1202 VanDerWaalsContact CG-CZ 3.42Å; N1178-F1202 VanDerWaalsContact ND2-CZ 3.26Å; N1178-F1202 WeakPolarHBondContact ND2-CZ 3.47Å; N1178-F1202 WeakPolarHBondContact OD1-CA 3.47Å; N1178-F1202 VanDerWaalsContact OD1-CB 3.23Å; N1178-F1202 WeakPolarHBondContact OD1-CB 3.47Å; N1178-F1202 WeakPolarHBondContact OD1-CD2 3.35Å; N1178-F1202 VanDerWaalsContact OD1-CG 3.3Å; N1178-F1202 WeakPolarHBondContact OD1-CG 3.23Å; N1200-F1202 HydrophobicContact CB-CD2 4.22Å; N1200-F1202 HydrophobicContact CB-CE2 3.71Å; N1200-F1202 VanDerWaalsContact CB-CE2 3.44Å; N1200-F1202 HydrophobicContact CB-CZ 4.02Å; F1202-T1204 HydrophobicContact CE1-CG2 4.07Å; F1202-T1204 HydrophobicContact CZ-CG2 4.42Å; F1202-K1217 HydrophobicContact CD1-CB 4.48Å; F1202-K1217 HydrophobicContact CE1-CB 4.09Å; F1202-F1218 CarbonylContact O-C 3.47Å; F1202-F1218 WeakPolarHBondContact O-CA 3.42Å; F1202-F1218 VanDerWaalsContact O-CD2 3.31Å; F1202-F1218 WeakPolarHBondContact O-CD2 3.39Å; F1202-Y1219 HydrophobicContact CB-CD1 4.01Å; F1202-Y1219 VanDerWaalsContact CB-CD1 3.48Å; F1202-Y1219 HydrophobicContact CB-CD2 3.95Å; F1202-Y1219 HydrophobicContact CB-CE1 3.26Å; F1202-Y1219 HydrophobicContact CB-CE2 3.46Å; F1202-Y1219 VanDerWaalsContact CB-CE2 3.46Å; F1202-Y1219 HydrophobicContact CB-CG 3.66Å; F1202-Y1219 AromaticContact CD1-CD1 3.77Å; F1202-Y1219 HydrophobicContact CD1-CD1 3.77Å; F1202-Y1219 AromaticContact CD1-CE1 3.73Å; F1202-Y1219 HydrophobicContact CD1-CE1 3.73Å; F1202-Y1219 AromaticContact CD2-CD1 3.94Å; F1202-Y1219 HydrophobicContact CD2-CD1 4.05Å; F1202-Y1219 AromaticContact CD2-CE1 3.4Å; F1202-Y1219 HydrophobicContact CD2-CE1 3.4Å; F1202-Y1219 VanDerWaalsContact CD2-CE1 3.4Å; F1202-Y1219 AromaticContact CD2-CZ 3.61Å; F1202-Y1219 WeakPolarHBondContact CD2-OH 3.29Å; F1202-Y1219 HydrophobicContact CE1-CE1 4.36Å; F1202-Y1219 HydrophobicContact CE2-CE1 4.09Å; F1202-Y1219 AromaticContact CG-CD1 3.62Å; F1202-Y1219 HydrophobicContact CG-CD1 3.62Å; F1202-Y1219 AromaticContact CG-CE1 3.2Å; F1202-Y1219 HydrophobicContact CG-CE1 3.2Å; F1202-Y1219 HydrophobicContact CG-CE2 4.31Å; F1202-Y1219 HydrophobicContact CG-CG 4.32Å; F1202-Y1219 AromaticContact CG-CZ 3.6Å; F1202-Y1219 PolarHBondContact N-O 3.06Å; F1202-Y1219 PolarHBondContact O-N 3.13Å; F1202-Y1219 VanDerWaalsContact O-N 3.15Å
1203	K	56.2	Low	55.6	Low	71.8 Å²	71.8	77.6 Å²	77.6	31%	0.312	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	124.6	177.2	-165.1	177.2	172.6	178.8	0	111	K1177 K1205 F1207 K1217 F1218	K1177-K1203 PolarHBondContact N-O 2.97Å; K1177-K1203 PolarHBondContact O-N 3.06Å; K1203-K1205 PolarHBondContact O-N 3.46Å; K1203-F1207 HydrophobicContact CD-CB 4.21Å; K1203-F1207 HydrophobicContact CD-CD1 4.32Å; K1203-F1207 HydrophobicContact CD-CG 4.32Å; K1203-F1207 VanDerWaalsContact CE-CA 3.42Å; K1203-F1207 VanDerWaalsContact CE-CB 3.43Å; K1203-F1207 VanDerWaalsContact CE-N 3.25Å; K1203-F1207 HydrophobicContact CG-CB 4.21Å; K1203-F1207 VanDerWaalsContact NZ-CB 3.32Å; K1203-K1217 CarbonylContact C-O 3.5Å; K1203-K1217 WeakPolarHBondContact CA-O 3.29Å; K1203-F1218 HydrophobicContact CB-CD2 4.16Å; K1203-F1218 HydrophobicContact CD-CD2 4.3Å; K1203-F1218 HydrophobicContact CG-CB 4.44Å; K1203-F1218 HydrophobicContact CG-CD2 3.93Å; K1203-F1218 HydrophobicContact CG-CE2 4.25Å
1204	T	55.7	Low	55.3	Low	23.8 Å²	23.8	77.6 Å²	77.6	15%	0.146	38%	0.38	C	S	.	.			trans	-66.2	140.8	163.3	58	0	0	0	0	110.2	D1176 F1202 E1206 F1207 T1216 K1217	D1176-T1204 WeakPolarHBondContact OD1-CA 3.03Å; D1176-T1204 WeakPolarHBondContact OD1-CG2 3.22Å; F1202-T1204 HydrophobicContact CE1-CG2 4.07Å; F1202-T1204 HydrophobicContact CZ-CG2 4.42Å; T1204-E1206 PolarHBondContact O-N 3.1Å; T1204-E1206 VanDerWaalsContact O-N 3.11Å; T1204-F1207 WeakPolarHBondContact O-CB 3.36Å; T1204-F1207 PolarHBondContact O-N 3.07Å; T1204-F1207 PolarHBondContact OG1-N 3Å; T1204-T1216 VanDerWaalsContact OG1-CA 3.32Å; T1204-T1216 WeakPolarHBondContact OG1-CA 3.29Å; T1204-T1216 VanDerWaalsContact OG1-CB 3.31Å; T1204-T1216 WeakPolarHBondContact OG1-CB 3.38Å; T1204-K1217 HydrophobicContact CG2-CB 4.24Å; T1204-K1217 HydrophobicContact CG2-CG 4.16Å; T1204-K1217 PolarHBondContact N-O 2.83Å; T1204-K1217 PolarHBondContact OG1-N 3.06Å; T1204-K1217 PolarHBondContact OG1-O 3.06Å
1205	K	49.6	Very low	54.9	Low	147.4 Å²	147.4	78.7 Å²	78.7	64%	0.641	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-43.7	-37.5	-174.7	-150.9	176.1	175.8	-163.7	0	114.7	K1203 F1207 L1208 T1209	K1203-K1205 PolarHBondContact O-N 3.46Å; K1205-F1207 VanDerWaalsContact C-N 3.31Å; K1205-F1207 PolarHBondContact O-N 2.9Å; K1205-L1208 PolarHBondContact O-N 3.21Å; K1205-T1209 PolarHBondContact O-N 2.9Å
1206	E	47.9	Very low	54.5	Low	62.6 Å²	62.6	75.3 Å²	75.3	29%	0.293	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-92.6	12.8	-174.8	-62	-173	161.6	0	0	115	T1204 L1208 T1209 P1210 Y1211 Q1214 T1216	T1204-E1206 PolarHBondContact O-N 3.1Å; T1204-E1206 VanDerWaalsContact O-N 3.11Å; E1206-L1208 PolarHBondContact O-N 2.96Å; E1206-T1209 WeakPolarHBondContact CA-O 3.37Å; E1206-T1209 WeakPolarHBondContact CB-OG1 3.4Å; E1206-T1209 CarbonylContact O-C 3.49Å; E1206-T1209 WeakPolarHBondContact O-CA 3.32Å; E1206-T1209 PolarHBondContact O-N 3.13Å; E1206-T1209 PolarHBondContact OE2-OG1 2.92Å; E1206-P1210 WeakPolarHBondContact O-CA 3.32Å; E1206-Y1211 VanDerWaalsContact OE1-CD2 3.27Å; E1206-Y1211 WeakPolarHBondContact OE1-CD2 3.13Å; E1206-Y1211 WeakPolarHBondContact OE2-CB 3.13Å; E1206-Y1211 WeakPolarHBondContact OE2-CD2 3.39Å; E1206-Y1211 PolarHBondContact OE2-N 3.42Å; E1206-Q1214 VanDerWaalsContact OE1-CB 3.26Å; E1206-Q1214 WeakPolarHBondContact OE1-CB 3.12Å; E1206-Q1214 PolarHBondContact OE1-NE2 2.88Å; E1206-Q1214 WeakPolarHBondContact OE2-CB 3.35Å; E1206-T1216 VanDerWaalsContact C-CG2 3.49Å; E1206-T1216 HydrophobicContact CB-CG2 3.75Å; E1206-T1216 VanDerWaalsContact O-CG2 3.3Å; E1206-T1216 WeakPolarHBondContact O-CG2 3.28Å
1207	F	45.7	Very low	53.9	Low	81.4 Å²	81.4	76.3 Å²	76.3	36%	0.357	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-58.3	-25.1	-177.7	-172.6	-100.9	0	0	0	114.3	K1203 T1204 K1205 F1218 H1241	K1203-F1207 HydrophobicContact CD-CB 4.21Å; K1203-F1207 HydrophobicContact CD-CD1 4.32Å; K1203-F1207 HydrophobicContact CD-CG 4.32Å; K1203-F1207 VanDerWaalsContact CE-CA 3.42Å; K1203-F1207 VanDerWaalsContact CE-CB 3.43Å; K1203-F1207 VanDerWaalsContact CE-N 3.25Å; K1203-F1207 HydrophobicContact CG-CB 4.21Å; K1203-F1207 VanDerWaalsContact NZ-CB 3.32Å; T1204-F1207 WeakPolarHBondContact O-CB 3.36Å; T1204-F1207 PolarHBondContact O-N 3.07Å; T1204-F1207 PolarHBondContact OG1-N 3Å; K1205-F1207 VanDerWaalsContact C-N 3.31Å; K1205-F1207 PolarHBondContact O-N 2.9Å; F1207-F1218 HydrophobicContact CD2-CB 4.02Å; F1207-F1218 HydrophobicContact CE1-CB 4.4Å; F1207-F1218 HydrophobicContact CE2-CB 3.73Å; F1207-F1218 HydrophobicContact CE2-CG 4.36Å; F1207-F1218 HydrophobicContact CG-CB 4.45Å; F1207-F1218 HydrophobicContact CZ-CB 4.3Å; F1207-H1241 HydrophobicContact CD2-CB 4.05Å; F1207-H1241 HydrophobicContact CE2-CB 3.77Å; F1207-H1241 HydrophobicContact CZ-CB 4.32Å
1208	L	45.5	Very low	53.3	Low	127.2 Å²	127.2	77.9 Å²	77.9	67%	0.666	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-8.5	-179	-67.4	171.6	0	0	0	113.7	K1205 E1206 Y1650	K1205-L1208 PolarHBondContact O-N 3.21Å; E1206-L1208 PolarHBondContact O-N 2.96Å; L1208-Y1650 HydrophobicContact CD1-CD1 4.25Å; L1208-Y1650 HydrophobicContact CD1-CE1 4.44Å
1209	T	47.8	Very low	52.9	Low	82.8 Å²	82.8	80.1 Å²	80.1	51%	0.508	39%	0.393	S	S	.	.	S	Bend	trans	-141.2	75	-177.9	51.2	0	0	0	0	109.7	K1205 E1206 Y1211	K1205-T1209 PolarHBondContact O-N 2.9Å; E1206-T1209 WeakPolarHBondContact CA-O 3.37Å; E1206-T1209 WeakPolarHBondContact CB-OG1 3.4Å; E1206-T1209 CarbonylContact O-C 3.49Å; E1206-T1209 WeakPolarHBondContact O-CA 3.32Å; E1206-T1209 PolarHBondContact O-N 3.13Å; E1206-T1209 PolarHBondContact OE2-OG1 2.92Å; T1209-Y1211 WeakPolarHBondContact O-CD2 3.11Å; T1209-Y1211 PolarHBondContact O-N 3.06Å
1210	P	43.5	Very low	52.6	Low	61.8 Å²	61.8	79.6 Å²	79.6	40%	0.401	39%	0.39	S	S	.	.			trans	-65.1	113.6	-179.8	25.5	-32.9	0	0	0	109.9	E1206 Y1212 T1216 V1243 I1245	E1206-P1210 WeakPolarHBondContact O-CA 3.32Å; P1210-Y1212 PolarHBondContact O-N 2.56Å; P1210-Y1212 VanDerWaalsContact O-N 3.12Å; P1210-T1216 HydrophobicContact CB-CG2 4.16Å; P1210-V1243 HydrophobicContact CB-CG2 4.1Å; P1210-V1243 HydrophobicContact CG-CG2 4.02Å; P1210-I1245 HydrophobicContact CB-CD1 4.18Å
1211	Y	44.5	Very low	52.6	Low	161.2 Å²	161.2	79.4 Å²	79.4	63%	0.632	39%	0.388	S	S	*	.			trans	-71.7	144.7	168.8	-93.7	-89.9	0	0	0	110.2	E1206 T1209 G1213 Q1214	E1206-Y1211 VanDerWaalsContact OE1-CD2 3.27Å; E1206-Y1211 WeakPolarHBondContact OE1-CD2 3.13Å; E1206-Y1211 WeakPolarHBondContact OE2-CB 3.13Å; E1206-Y1211 WeakPolarHBondContact OE2-CD2 3.39Å; E1206-Y1211 PolarHBondContact OE2-N 3.42Å; T1209-Y1211 WeakPolarHBondContact O-CD2 3.11Å; T1209-Y1211 PolarHBondContact O-N 3.06Å; Y1211-G1213 PolarHBondContact O-N 3.14Å; Y1211-G1213 VanDerWaalsContact O-N 3.1Å; Y1211-Q1214 PolarHBondContact O-N 2.91Å
1212	Y	45.8	Very low	52.6	Low	200.4 Å²	200.4	78.8 Å²	78.8	79%	0.786	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	119.8	-179.8	-89.5	-90.1	0	0	0	111.1	P1210 Q1247	P1210-Y1212 PolarHBondContact O-N 2.56Å; P1210-Y1212 VanDerWaalsContact O-N 3.12Å; Y1212-Q1247 HydrophobicContact CE1-CG 4.04Å; Y1212-Q1247 WeakPolarHBondContact OH-CG 3.45Å; Y1212-Q1247 PolarHBondContact OH-NE2 2.85Å; Y1212-Q1247 VanDerWaalsContact OH-NE2 3.15Å
1213	G	46	Very low	52.9	Low	54.6 Å²	54.6	80.1 Å²	80.1	56%	0.563	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	-6.9	171.8	0	0	0	0	0	116.7	Y1211 V1243	Y1211-G1213 PolarHBondContact O-N 3.14Å; Y1211-G1213 VanDerWaalsContact O-N 3.1Å; G1213-V1243 PolarHBondContact N-O 2.76Å
1214	Q	48	Very low	53.3	Low	108.4 Å²	108.4	78.2 Å²	78.2	51%	0.507	38%	0.384	S	S	.	.			trans	-108.5	129.1	175	-67.3	-163.1	4.6	0	0	112	E1206 Y1211 T1216	E1206-Q1214 VanDerWaalsContact OE1-CB 3.26Å; E1206-Q1214 WeakPolarHBondContact OE1-CB 3.12Å; E1206-Q1214 PolarHBondContact OE1-NE2 2.88Å; E1206-Q1214 WeakPolarHBondContact OE2-CB 3.35Å; Y1211-Q1214 PolarHBondContact O-N 2.91Å; Q1214-T1216 PolarHBondContact O-N 3.14Å; Q1214-T1216 VanDerWaalsContact O-N 3.13Å
1215	P	49.6	Very low	53.6	Low	71.6 Å²	71.6	78.7 Å²	78.7	47%	0.465	39%	0.386	S	S	.	.			trans	-75.4	115.2	178.4	29.1	-32.3	0	0	0	110.9	K1217 V1243 N1244	P1215-K1217 WeakPolarHBondContact O-CG 3.23Å; P1215-K1217 PolarHBondContact O-N 2.96Å; P1215-V1243 CarbonylContact C-O 3.56Å; P1215-V1243 WeakPolarHBondContact CA-O 3.24Å; P1215-N1244 HydrophobicContact CB-CB 4Å
1216	T	54.7	Low	54.1	Low	13.2 Å²	13.2	72.7 Å²	72.7	8%	0.081	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.8	172.9	60.7	0	0	0	0	109.8	T1204 E1206 P1210 Q1214 N1240 H1241 V1243 I1245	T1204-T1216 VanDerWaalsContact OG1-CA 3.32Å; T1204-T1216 WeakPolarHBondContact OG1-CA 3.29Å; T1204-T1216 VanDerWaalsContact OG1-CB 3.31Å; T1204-T1216 WeakPolarHBondContact OG1-CB 3.38Å; E1206-T1216 VanDerWaalsContact C-CG2 3.49Å; E1206-T1216 HydrophobicContact CB-CG2 3.75Å; E1206-T1216 VanDerWaalsContact O-CG2 3.3Å; E1206-T1216 WeakPolarHBondContact O-CG2 3.28Å; P1210-T1216 HydrophobicContact CB-CG2 4.16Å; Q1214-T1216 PolarHBondContact O-N 3.14Å; Q1214-T1216 VanDerWaalsContact O-N 3.13Å; T1216-N1240 CarbonylContact O-C 3.49Å; T1216-N1240 VanDerWaalsContact O-CA 3.28Å; T1216-N1240 WeakPolarHBondContact O-CA 3.23Å; T1216-H1241 PolarHBondContact N-O 3.25Å; T1216-H1241 VanDerWaalsContact N-O 3.09Å; T1216-H1241 PolarHBondContact O-N 2.77Å; T1216-H1241 WeakPolarHBondContact OG1-CB 3.01Å; T1216-H1241 PolarHBondContact OG1-O 2.94Å; T1216-V1243 PolarHBondContact N-O 2.83Å; T1216-V1243 PolarHBondContact O-N 3.24Å; T1216-I1245 HydrophobicContact CG2-CD1 4.43Å
1217	K	57.2	Low	54.4	Low	98 Å²	98	72.9 Å²	72.9	43%	0.426	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.4	-178.8	-57.6	177.2	-178.8	167.9	0	110	E1174 F1202 K1203 T1204 P1215 Y1219 T1239 N1240	E1174-K1217 IonicContact OE1-NZ 2.59Å; F1202-K1217 HydrophobicContact CD1-CB 4.48Å; F1202-K1217 HydrophobicContact CE1-CB 4.09Å; K1203-K1217 CarbonylContact C-O 3.5Å; K1203-K1217 WeakPolarHBondContact CA-O 3.29Å; T1204-K1217 HydrophobicContact CG2-CB 4.24Å; T1204-K1217 HydrophobicContact CG2-CG 4.16Å; T1204-K1217 PolarHBondContact N-O 2.83Å; T1204-K1217 PolarHBondContact OG1-N 3.06Å; T1204-K1217 PolarHBondContact OG1-O 3.06Å; P1215-K1217 WeakPolarHBondContact O-CG 3.23Å; P1215-K1217 PolarHBondContact O-N 2.96Å; K1217-Y1219 HydrophobicContact CB-CD2 4.15Å; K1217-Y1219 HydrophobicContact CB-CE2 3.45Å; K1217-Y1219 VanDerWaalsContact CB-CE2 3.45Å; K1217-Y1219 HydrophobicContact CD-CE2 4Å; K1217-Y1219 WeakPolarHBondContact CD-OH 3.4Å; K1217-Y1219 HydrophobicContact CG-CE2 4.34Å; K1217-T1239 CarbonylContact C-O 3.38Å; K1217-T1239 WeakPolarHBondContact CA-O 3.37Å; K1217-N1240 WeakPolarHBondContact CB-OD1 3.19Å; K1217-N1240 VanDerWaalsContact CG-OD1 3.28Å; K1217-N1240 WeakPolarHBondContact CG-OD1 3.46Å
1218	F	58.2	Low	54.9	Low	51.4 Å²	51.4	73 Å²	73	23%	0.225	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.5	167.8	175.7	-109.6	0	0	0	108.3	M1201 F1202 K1203 F1207 I1220 T1239 H1241 I1651	M1201-F1218 HydrophobicContact CB-CE2 4.43Å; M1201-F1218 HydrophobicContact CE-CE2 3.91Å; M1201-F1218 HydrophobicContact CE-CZ 3.94Å; F1202-F1218 CarbonylContact O-C 3.47Å; F1202-F1218 WeakPolarHBondContact O-CA 3.42Å; F1202-F1218 VanDerWaalsContact O-CD2 3.31Å; F1202-F1218 WeakPolarHBondContact O-CD2 3.39Å; K1203-F1218 HydrophobicContact CB-CD2 4.16Å; K1203-F1218 HydrophobicContact CD-CD2 4.3Å; K1203-F1218 HydrophobicContact CG-CB 4.44Å; K1203-F1218 HydrophobicContact CG-CD2 3.93Å; K1203-F1218 HydrophobicContact CG-CE2 4.25Å; F1207-F1218 HydrophobicContact CD2-CB 4.02Å; F1207-F1218 HydrophobicContact CE1-CB 4.4Å; F1207-F1218 HydrophobicContact CE2-CB 3.73Å; F1207-F1218 HydrophobicContact CE2-CG 4.36Å; F1207-F1218 HydrophobicContact CG-CB 4.45Å; F1207-F1218 HydrophobicContact CZ-CB 4.3Å; F1218-I1220 HydrophobicContact CD1-CD1 4.39Å; F1218-I1220 HydrophobicContact CD1-CG1 4.36Å; F1218-I1220 HydrophobicContact CE1-CD1 3.57Å; F1218-I1220 VanDerWaalsContact CE1-CD1 3.45Å; F1218-I1220 HydrophobicContact CE1-CG1 3.58Å; F1218-I1220 VanDerWaalsContact CE1-CG1 3.46Å; F1218-I1220 HydrophobicContact CE2-CG1 4.1Å; F1218-I1220 HydrophobicContact CZ-CD1 3.62Å; F1218-I1220 HydrophobicContact CZ-CG1 3.55Å; F1218-T1239 WeakPolarHBondContact CB-OG1 3.39Å; F1218-T1239 WeakPolarHBondContact CD1-OG1 3.27Å; F1218-T1239 PolarHBondContact N-O 3.12Å; F1218-T1239 WeakPolarHBondContact O-CA 3.44Å; F1218-T1239 PolarHBondContact O-N 2.96Å; F1218-T1239 VanDerWaalsContact O-O 3.13Å; F1218-T1239 PolarHBondContact O-OG1 2.81Å; F1218-H1241 HydrophobicContact CB-CB 4.38Å; F1218-H1241 HydrophobicContact CD1-CB 4.18Å; F1218-H1241 PolarHBondContact N-O 2.89Å; F1218-H1241 CarbonylContact O-C 3.45Å; F1218-H1241 WeakPolarHBondContact O-CA 3.5Å; F1218-H1241 PolarHBondContact O-N 3.28Å; F1218-H1241 VanDerWaalsContact O-O 3.11Å; F1218-I1651 HydrophobicContact CE1-CD1 3.91Å; F1218-I1651 HydrophobicContact CZ-CD1 4.34Å
1219	Y	60.8	Low	55.1	Low	66.2 Å²	66.2	75.7 Å²	75.7	26%	0.26	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.8	-177.4	177.2	-111.6	0	0	0	110.6	M1201 F1202 K1217 H1221 L1237 L1238 T1239 N1240	M1201-Y1219 CarbonylContact C-O 3.59Å; M1201-Y1219 WeakPolarHBondContact CA-O 3.39Å; F1202-Y1219 HydrophobicContact CB-CD1 4.01Å; F1202-Y1219 VanDerWaalsContact CB-CD1 3.48Å; F1202-Y1219 HydrophobicContact CB-CD2 3.95Å; F1202-Y1219 HydrophobicContact CB-CE1 3.26Å; F1202-Y1219 HydrophobicContact CB-CE2 3.46Å; F1202-Y1219 VanDerWaalsContact CB-CE2 3.46Å; F1202-Y1219 HydrophobicContact CB-CG 3.66Å; F1202-Y1219 AromaticContact CD1-CD1 3.77Å; F1202-Y1219 HydrophobicContact CD1-CD1 3.77Å; F1202-Y1219 AromaticContact CD1-CE1 3.73Å; F1202-Y1219 HydrophobicContact CD1-CE1 3.73Å; F1202-Y1219 AromaticContact CD2-CD1 3.94Å; F1202-Y1219 HydrophobicContact CD2-CD1 4.05Å; F1202-Y1219 AromaticContact CD2-CE1 3.4Å; F1202-Y1219 HydrophobicContact CD2-CE1 3.4Å; F1202-Y1219 VanDerWaalsContact CD2-CE1 3.4Å; F1202-Y1219 AromaticContact CD2-CZ 3.61Å; F1202-Y1219 WeakPolarHBondContact CD2-OH 3.29Å; F1202-Y1219 HydrophobicContact CE1-CE1 4.36Å; F1202-Y1219 HydrophobicContact CE2-CE1 4.09Å; F1202-Y1219 AromaticContact CG-CD1 3.62Å; F1202-Y1219 HydrophobicContact CG-CD1 3.62Å; F1202-Y1219 AromaticContact CG-CE1 3.2Å; F1202-Y1219 HydrophobicContact CG-CE1 3.2Å; F1202-Y1219 HydrophobicContact CG-CE2 4.31Å; F1202-Y1219 HydrophobicContact CG-CG 4.32Å; F1202-Y1219 AromaticContact CG-CZ 3.6Å; F1202-Y1219 PolarHBondContact N-O 3.06Å; F1202-Y1219 PolarHBondContact O-N 3.13Å; F1202-Y1219 VanDerWaalsContact O-N 3.15Å; K1217-Y1219 HydrophobicContact CB-CD2 4.15Å; K1217-Y1219 HydrophobicContact CB-CE2 3.45Å; K1217-Y1219 VanDerWaalsContact CB-CE2 3.45Å; K1217-Y1219 HydrophobicContact CD-CE2 4Å; K1217-Y1219 WeakPolarHBondContact CD-OH 3.4Å; K1217-Y1219 HydrophobicContact CG-CE2 4.34Å; Y1219-H1221 HydrophobicContact CD1-CB 4.32Å; Y1219-H1221 HydrophobicContact CE1-CB 3.59Å; Y1219-H1221 VanDerWaalsContact CE1-CB 3.49Å; Y1219-H1221 HydrophobicContact CE2-CB 4.22Å; Y1219-H1221 AromaticContact CZ-CD2 3.87Å; Y1219-H1221 AromaticContact CZ-CG 3.99Å; Y1219-H1221 PolarHBondContact OH-CD2 3.02Å; Y1219-H1221 VanDerWaalsContact OH-CD2 3.29Å; Y1219-L1237 CarbonylContact C-O 3.37Å; Y1219-L1237 WeakPolarHBondContact CA-O 3.21Å; Y1219-L1238 HydrophobicContact CD1-CB 4.47Å; Y1219-L1238 HydrophobicContact CD1-CD1 3.73Å; Y1219-L1238 HydrophobicContact CD1-CD2 4.49Å; Y1219-L1238 HydrophobicContact CD1-CG 3.55Å; Y1219-L1238 HydrophobicContact CD2-CB 3.92Å; Y1219-L1238 HydrophobicContact CD2-CD1 3.97Å; Y1219-L1238 HydrophobicContact CD2-CG 4.4Å; Y1219-L1238 HydrophobicContact CE1-CD1 3.33Å; Y1219-L1238 HydrophobicContact CE1-CD2 4.01Å; Y1219-L1238 HydrophobicContact CE1-CG 3.41Å; Y1219-L1238 VanDerWaalsContact CE1-CG 3.41Å; Y1219-L1238 HydrophobicContact CE2-CB 4.26Å; Y1219-L1238 HydrophobicContact CE2-CD1 4.44Å; Y1219-L1238 HydrophobicContact CG-CD1 4.17Å; Y1219-T1239 CarbonylContact C-O 3.54Å; Y1219-T1239 WeakPolarHBondContact CA-O 3.39Å; Y1219-T1239 WeakPolarHBondContact CB-O 3.22Å; Y1219-N1240 WeakPolarHBondContact CB-OD1 3.49Å
1220	I	60.5	Low	55.3	Low	35.6 Å²	35.6	73.8 Å²	73.8	18%	0.183	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.2	167.8	-55.2	179.2	0	0	0	107.2	I1199 N1200 M1201 F1218 I1222 S1236 L1237 T1239	I1199-I1220 HydrophobicContact CG2-CG2 4.09Å; N1200-I1220 CarbonylContact O-C 3.47Å; N1200-I1220 VanDerWaalsContact O-CA 3.31Å; N1200-I1220 WeakPolarHBondContact O-CA 3.35Å; M1201-I1220 HydrophobicContact CG-CG1 4.26Å; M1201-I1220 HydrophobicContact CG-CG2 4.19Å; F1218-I1220 HydrophobicContact CD1-CD1 4.39Å; F1218-I1220 HydrophobicContact CD1-CG1 4.36Å; F1218-I1220 HydrophobicContact CE1-CD1 3.57Å; F1218-I1220 VanDerWaalsContact CE1-CD1 3.45Å; F1218-I1220 HydrophobicContact CE1-CG1 3.58Å; F1218-I1220 VanDerWaalsContact CE1-CG1 3.46Å; F1218-I1220 HydrophobicContact CE2-CG1 4.1Å; F1218-I1220 HydrophobicContact CZ-CD1 3.62Å; F1218-I1220 HydrophobicContact CZ-CG1 3.55Å; I1220-I1222 HydrophobicContact CG2-CD1 4.2Å; I1220-I1222 HydrophobicContact CG2-CG1 3.84Å; I1220-S1236 CarbonylContact O-C 3.59Å; I1220-S1236 VanDerWaalsContact O-CA 3.3Å; I1220-S1236 WeakPolarHBondContact O-CA 3.12Å; I1220-L1237 HydrophobicContact CB-CB 4.37Å; I1220-L1237 HydrophobicContact CD1-CD2 4.21Å; I1220-L1237 HydrophobicContact CG1-CD2 4.32Å; I1220-L1237 PolarHBondContact N-O 3.04Å; I1220-L1237 PolarHBondContact O-N 2.92Å; I1220-T1239 VanDerWaalsContact CB-OG1 3.32Å; I1220-T1239 WeakPolarHBondContact CB-OG1 3.25Å; I1220-T1239 PolarHBondContact N-O 3.18Å; I1220-T1239 PolarHBondContact N-OG1 3.36Å; I1220-T1239 PolarHBondContact O-N 2.92Å; I1220-T1239 PolarHBondContact O-OG1 2.83Å
1221	H	65.2	Low	55.8	Low	36 Å²	36	72 Å²	72	17%	0.167	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113.7	171.1	-168.3	-102.4	0	0	0	109.4	I1199 N1200 Y1219 Y1223 Q1234 L1237 L1238	I1199-H1221 CarbonylContact C-O 3.44Å; I1199-H1221 WeakPolarHBondContact CA-O 3.29Å; N1200-H1221 HydrophobicContact CB-CB 4.36Å; N1200-H1221 PolarHBondContact N-O 2.93Å; N1200-H1221 PolarHBondContact O-N 2.91Å; Y1219-H1221 HydrophobicContact CD1-CB 4.32Å; Y1219-H1221 HydrophobicContact CE1-CB 3.59Å; Y1219-H1221 VanDerWaalsContact CE1-CB 3.49Å; Y1219-H1221 HydrophobicContact CE2-CB 4.22Å; Y1219-H1221 AromaticContact CZ-CD2 3.87Å; Y1219-H1221 AromaticContact CZ-CG 3.99Å; Y1219-H1221 PolarHBondContact OH-CD2 3.02Å; Y1219-H1221 VanDerWaalsContact OH-CD2 3.29Å; H1221-Y1223 HydrophobicContact CB-CE2 4.25Å; H1221-Y1223 WeakPolarHBondContact CE1-CB 3.37Å; H1221-Y1223 AromaticContact CE1-CE1 3.86Å; H1221-Y1223 AromaticContact CE1-CZ 3.39Å; H1221-Y1223 PolarHBondContact CE1-OH 2.93Å; H1221-Y1223 AromaticContact ND1-CE1 3.74Å; H1221-Y1223 AromaticContact ND1-CE2 3.23Å; H1221-Y1223 WeakPolarHBondContact ND1-CE2 3.16Å; H1221-Y1223 AromaticContact ND1-CZ 3.07Å; H1221-Y1223 PolarHBondContact ND1-OH 2.62Å; H1221-Y1223 VanDerWaalsContact ND1-OH 3.09Å; H1221-Q1234 PolarHBondContact CE1-NE2 3.07Å; H1221-Q1234 PolarHBondContact NE2-NE2 3.27Å; H1221-L1237 CarbonylContact C-O 3.27Å; H1221-L1237 WeakPolarHBondContact CA-O 3.39Å; H1221-L1238 HydrophobicContact CB-CD1 4.49Å; H1221-L1238 HydrophobicContact CB-CG 4.36Å
1222	I	63.4	Low	56.4	Low	47 Å²	47	67.8 Å²	67.8	24%	0.241	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	112.5	175.7	-55	179.6	0	0	0	107.4	T1198 I1199 I1220 V1224 Q1234 F1235 S1236 L1237	T1198-I1222 CarbonylContact O-C 3.54Å; T1198-I1222 VanDerWaalsContact O-CA 3.27Å; T1198-I1222 WeakPolarHBondContact O-CA 3.22Å; I1199-I1222 HydrophobicContact CG1-CG1 4.18Å; I1199-I1222 HydrophobicContact CG1-CG2 4.24Å; I1199-I1222 HydrophobicContact CG2-CG1 4.2Å; I1220-I1222 HydrophobicContact CG2-CD1 4.2Å; I1220-I1222 HydrophobicContact CG2-CG1 3.84Å; I1222-V1224 HydrophobicContact CG2-CG2 4.08Å; I1222-Q1234 CarbonylContact O-C 3.51Å; I1222-Q1234 WeakPolarHBondContact O-CA 3.29Å; I1222-F1235 HydrophobicContact CB-CB 4.33Å; I1222-F1235 HydrophobicContact CB-CD1 4.4Å; I1222-F1235 HydrophobicContact CD1-CD1 3.97Å; I1222-F1235 HydrophobicContact CD1-CE1 4.43Å; I1222-F1235 HydrophobicContact CG1-CD1 4.23Å; I1222-F1235 PolarHBondContact N-O 2.98Å; I1222-F1235 PolarHBondContact O-N 3.05Å; I1222-S1236 CarbonylContact O-C 3.51Å; I1222-S1236 WeakPolarHBondContact O-CA 3.28Å; I1222-L1237 HydrophobicContact CB-CB 4.27Å; I1222-L1237 HydrophobicContact CD1-CD2 4.32Å; I1222-L1237 PolarHBondContact N-O 3.29Å; I1222-L1237 PolarHBondContact O-N 2.71Å
1223	Y	65.7	Low	57.2	Low	79.6 Å²	79.6	64.9 Å²	64.9	31%	0.312	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.1	176.2	-168.6	-98.5	0	0	0	109.2	C1197 T1198 H1221 V1225 L1232 Q1234 F1235	C1197-Y1223 CarbonylContact C-O 3.55Å; C1197-Y1223 VanDerWaalsContact CA-O 3.32Å; C1197-Y1223 WeakPolarHBondContact CA-O 3.24Å; T1198-Y1223 PolarHBondContact N-O 3.1Å; T1198-Y1223 VanDerWaalsContact N-O 3.16Å; T1198-Y1223 PolarHBondContact O-N 3.22Å; T1198-Y1223 VanDerWaalsContact O-N 3.1Å; T1198-Y1223 WeakPolarHBondContact OG1-CB 3.2Å; T1198-Y1223 WeakPolarHBondContact OG1-CD2 3.36Å; H1221-Y1223 HydrophobicContact CB-CE2 4.25Å; H1221-Y1223 WeakPolarHBondContact CE1-CB 3.37Å; H1221-Y1223 AromaticContact CE1-CE1 3.86Å; H1221-Y1223 AromaticContact CE1-CZ 3.39Å; H1221-Y1223 PolarHBondContact CE1-OH 2.93Å; H1221-Y1223 AromaticContact ND1-CE1 3.74Å; H1221-Y1223 AromaticContact ND1-CE2 3.23Å; H1221-Y1223 WeakPolarHBondContact ND1-CE2 3.16Å; H1221-Y1223 AromaticContact ND1-CZ 3.07Å; H1221-Y1223 PolarHBondContact ND1-OH 2.62Å; H1221-Y1223 VanDerWaalsContact ND1-OH 3.09Å; Y1223-V1225 HydrophobicContact CD1-CG2 3.91Å; Y1223-V1225 HydrophobicContact CD2-CG2 4.46Å; Y1223-V1225 HydrophobicContact CE1-CB 4.19Å; Y1223-V1225 HydrophobicContact CE1-CG2 3.16Å; Y1223-V1225 HydrophobicContact CE2-CG2 4.1Å; Y1223-V1225 HydrophobicContact CG-CG2 4.4Å; Y1223-V1225 VanDerWaalsContact OH-CG2 3.27Å; Y1223-V1225 WeakPolarHBondContact OH-CG2 3.43Å; Y1223-L1232 HydrophobicContact CD2-CD2 4.25Å; Y1223-L1232 HydrophobicContact CE2-CD1 4.05Å; Y1223-L1232 HydrophobicContact CE2-CD2 3.4Å; Y1223-Q1234 HydrophobicContact CD1-CB 4.38Å; Y1223-Q1234 HydrophobicContact CD1-CG 4.05Å; Y1223-Q1234 HydrophobicContact CD2-CG 3.79Å; Y1223-Q1234 HydrophobicContact CE1-CG 3.88Å; Y1223-Q1234 HydrophobicContact CE2-CB 4.33Å; Y1223-Q1234 HydrophobicContact CE2-CG 4.41Å; Y1223-F1235 CarbonylContact C-O 3.52Å; Y1223-F1235 WeakPolarHBondContact CA-O 3.32Å
1224	V	62.9	Low	58.2	Low	32.6 Å²	32.6	65.4 Å²	65.4	20%	0.198	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.1	179.3	-178.4	0	0	0	0	108.8	Y1195 E1196 C1197 I1222 R1233 Q1234 F1235	Y1195-V1224 HydrophobicContact CD1-CG1 4.49Å; Y1195-V1224 HydrophobicContact CD2-CG1 3.99Å; Y1195-V1224 HydrophobicContact CE2-CB 4.34Å; Y1195-V1224 HydrophobicContact CE2-CG1 3.27Å; Y1195-V1224 VanDerWaalsContact CE2-CG1 3.48Å; Y1195-V1224 HydrophobicContact CE2-CG2 4.44Å; Y1195-V1224 VanDerWaalsContact CZ-CG1 3.43Å; Y1195-V1224 WeakPolarHBondContact OH-CG1 3.42Å; Y1195-V1224 WeakPolarHBondContact OH-CG2 3.45Å; E1196-V1224 CarbonylContact O-C 3.45Å; E1196-V1224 WeakPolarHBondContact O-CA 3.44Å; C1197-V1224 HydrophobicContact CB-CG1 4.33Å; C1197-V1224 HydrophobicContact CB-CG2 4Å; I1222-V1224 HydrophobicContact CG2-CG2 4.08Å; V1224-R1233 HydrophobicContact CB-CB 4.33Å; V1224-R1233 HydrophobicContact CG1-CB 4.48Å; V1224-R1233 PolarHBondContact N-O 3.19Å; V1224-R1233 PolarHBondContact O-N 3.08Å; V1224-R1233 VanDerWaalsContact O-N 3.17Å; V1224-Q1234 CarbonylContact O-C 3.41Å; V1224-Q1234 VanDerWaalsContact O-CA 3.3Å; V1224-Q1234 WeakPolarHBondContact O-CA 3.43Å; V1224-F1235 HydrophobicContact CB-CB 4.27Å; V1224-F1235 HydrophobicContact CG2-CD1 4.21Å; V1224-F1235 PolarHBondContact N-O 2.82Å; V1224-F1235 PolarHBondContact O-N 2.86Å
1225	V	62.5	Low	58.9	Low	33.2 Å²	33.2	63.9 Å²	63.9	20%	0.201	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132	175.5	178.6	0	0	0	0	109.4	Y1195 E1196 Y1223 P1227 L1232 R1233 Q1234	Y1195-V1225 CarbonylContact C-O 3.3Å; Y1195-V1225 WeakPolarHBondContact CA-O 3.09Å; E1196-V1225 HydrophobicContact CB-CB 4.46Å; E1196-V1225 PolarHBondContact N-O 2.91Å; E1196-V1225 PolarHBondContact O-N 3.24Å; E1196-V1225 VanDerWaalsContact O-N 3.13Å; Y1223-V1225 HydrophobicContact CD1-CG2 3.91Å; Y1223-V1225 HydrophobicContact CD2-CG2 4.46Å; Y1223-V1225 HydrophobicContact CE1-CB 4.19Å; Y1223-V1225 HydrophobicContact CE1-CG2 3.16Å; Y1223-V1225 HydrophobicContact CE2-CG2 4.1Å; Y1223-V1225 HydrophobicContact CG-CG2 4.4Å; Y1223-V1225 VanDerWaalsContact OH-CG2 3.27Å; Y1223-V1225 WeakPolarHBondContact OH-CG2 3.43Å; V1225-P1227 HydrophobicContact CG1-CB 4.33Å; V1225-P1227 HydrophobicContact CG1-CG 4.32Å; V1225-P1227 VanDerWaalsContact O-CD 3.29Å; V1225-P1227 WeakPolarHBondContact O-CD 3.39Å; V1225-L1232 HydrophobicContact CG1-CD2 3.88Å; V1225-L1232 HydrophobicContact CG2-CB 4.05Å; V1225-L1232 HydrophobicContact CG2-CD1 3.9Å; V1225-L1232 HydrophobicContact CG2-CD2 4.04Å; V1225-L1232 HydrophobicContact CG2-CG 3.93Å; V1225-R1233 CarbonylContact C-O 3.38Å; V1225-R1233 WeakPolarHBondContact CA-O 3.44Å; V1225-Q1234 HydrophobicContact CG1-CG 4.21Å; V1225-Q1234 HydrophobicContact CG2-CG 4.38Å
1226	S	59.8	Low	59.6	Low	22.6 Å²	22.6	61.1 Å²	61.1	16%	0.158	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.9	164	152.1	0	0	0	0	109.4	D1194 N1228 R1229 R1233	D1194-S1226 WeakPolarHBondContact O-CA 3.27Å; D1194-S1226 WeakPolarHBondContact O-CB 3.02Å; D1194-S1226 PolarHBondContact O-OG 2.98Å; S1226-N1228 VanDerWaalsContact C-N 3.25Å; S1226-N1228 CarbonylContact O-C 3.53Å; S1226-N1228 PolarHBondContact O-N 2.89Å; S1226-N1228 VanDerWaalsContact O-N 3.1Å; S1226-N1228 PolarHBondContact OG-OD1 3.41Å; S1226-R1229 WeakPolarHBondContact CB-O 3.22Å; S1226-R1229 CarbonylContact O-C 3.55Å; S1226-R1229 PolarHBondContact O-N 2.97Å; S1226-R1233 PolarHBondContact N-O 2.78Å; S1226-R1233 PolarHBondContact O-N 2.82Å
1227	P	54.8	Low	60.1	Low	66.2 Å²	66.2	62.4 Å²	62.4	43%	0.43	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.9	-176.6	5.6	-5.6	0	0	0	113.1	N1191 D1194 V1225 R1229 L1232	N1191-P1227 WeakPolarHBondContact O-CG 3.35Å; D1194-P1227 HydrophobicContact CB-CB 4.3Å; D1194-P1227 HydrophobicContact CB-CG 4.03Å; D1194-P1227 VanDerWaalsContact O-CD 3.28Å; D1194-P1227 WeakPolarHBondContact O-CD 3.32Å; V1225-P1227 HydrophobicContact CG1-CB 4.33Å; V1225-P1227 HydrophobicContact CG1-CG 4.32Å; V1225-P1227 VanDerWaalsContact O-CD 3.29Å; V1225-P1227 WeakPolarHBondContact O-CD 3.39Å; P1227-R1229 VanDerWaalsContact C-N 3.3Å; P1227-R1229 PolarHBondContact O-N 3.28Å; P1227-L1232 HydrophobicContact CB-CG 4.41Å
1228	N	55.5	Low	60.4	Low	83.2 Å²	83.2	60.2 Å²	60.2	45%	0.445	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	34	177.4	-92.8	-2.1	0	0	0	111.6	N1191 D1194 S1226 S1230 C1231	N1191-N1228 VanDerWaalsContact C-ND2 3.26Å; N1191-N1228 WeakPolarHBondContact CB-ND2 3.26Å; N1191-N1228 WeakPolarHBondContact O-CB 3.4Å; N1191-N1228 VanDerWaalsContact O-CG 3.29Å; N1191-N1228 PolarHBondContact O-ND2 2.87Å; D1194-N1228 WeakPolarHBondContact CB-ND2 3.34Å; S1226-N1228 VanDerWaalsContact C-N 3.25Å; S1226-N1228 CarbonylContact O-C 3.53Å; S1226-N1228 PolarHBondContact O-N 2.89Å; S1226-N1228 VanDerWaalsContact O-N 3.1Å; S1226-N1228 PolarHBondContact OG-OD1 3.41Å; N1228-S1230 PolarHBondContact O-N 2.8Å; N1228-C1231 HydrophobicContact CB-CB 4.31Å; N1228-C1231 CarbonylContact O-C 3.44Å; N1228-C1231 PolarHBondContact O-N 2.9Å
1229	R	51.1	Low	60.5	Low	184.2 Å²	184.2	59 Å²	59	70%	0.695	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	34.1	178.8	-68.2	-174.3	178.2	-173.2	-0.3	111.3	S1226 P1227 C1231	S1226-R1229 WeakPolarHBondContact CB-O 3.22Å; S1226-R1229 CarbonylContact O-C 3.55Å; S1226-R1229 PolarHBondContact O-N 2.97Å; P1227-R1229 VanDerWaalsContact C-N 3.3Å; P1227-R1229 PolarHBondContact O-N 3.28Å; R1229-C1231 HydrophobicContact CB-CB 4.26Å; R1229-C1231 PolarHBondContact O-N 2.91Å
1230	S	51.2	Low	60.7	Low	42 Å²	42	58.4 Å²	58.4	29%	0.294	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	13.9	176.3	51.6	0	0	0	0	113.4	N1228 D1261 E1262 K1263	N1228-S1230 PolarHBondContact O-N 2.8Å; S1230-D1261 CarbonylContact O-C 3.45Å; S1230-D1261 VanDerWaalsContact O-CA 3.3Å; S1230-D1261 WeakPolarHBondContact O-CA 3.44Å; S1230-E1262 WeakPolarHBondContact CB-OE2 3.27Å; S1230-E1262 PolarHBondContact O-N 3.13Å; S1230-E1262 WeakPolarHBondContact OG-CB 3.32Å; S1230-E1262 PolarHBondContact OG-OE2 3.36Å; S1230-K1263 VanDerWaalsContact CB-CE 3.49Å; S1230-K1263 PolarHBondContact OG-NZ 2.81Å; S1230-K1263 VanDerWaalsContact OG-NZ 3.15Å
1231	C	54.2	Low	60.5	Low	25 Å²	25	59 Å²	59	17%	0.169	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	89.6	-176.8	-120.9	0	0	0	0	108.1	N1228 R1229 R1233 A1260 D1261	N1228-C1231 HydrophobicContact CB-CB 4.31Å; N1228-C1231 CarbonylContact O-C 3.44Å; N1228-C1231 PolarHBondContact O-N 2.9Å; R1229-C1231 HydrophobicContact CB-CB 4.26Å; R1229-C1231 PolarHBondContact O-N 2.91Å; C1231-R1233 PolarHBondContact O-N 2.83Å; C1231-A1260 CarbonylContact C-O 3.58Å; C1231-A1260 VanDerWaalsContact CA-O 3.27Å; C1231-A1260 WeakPolarHBondContact CA-O 3.46Å; C1231-D1261 PolarHBondContact SG-OD2 3.22Å
1232	L	57.7	Low	60.1	Low	72 Å²	72	58.3 Å²	58.3	38%	0.377	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.7	176.7	-130.9	158.4	0	0	0	108.2	Y1223 V1225 P1227 Q1234 A1260	Y1223-L1232 HydrophobicContact CD2-CD2 4.25Å; Y1223-L1232 HydrophobicContact CE2-CD1 4.05Å; Y1223-L1232 HydrophobicContact CE2-CD2 3.4Å; V1225-L1232 HydrophobicContact CG1-CD2 3.88Å; V1225-L1232 HydrophobicContact CG2-CB 4.05Å; V1225-L1232 HydrophobicContact CG2-CD1 3.9Å; V1225-L1232 HydrophobicContact CG2-CD2 4.04Å; V1225-L1232 HydrophobicContact CG2-CG 3.93Å; P1227-L1232 HydrophobicContact CB-CG 4.41Å; L1232-Q1234 HydrophobicContact CD2-CG 3.67Å; L1232-Q1234 HydrophobicContact CG-CG 4.39Å; L1232-A1260 HydrophobicContact CB-CB 4.47Å; L1232-A1260 PolarHBondContact N-O 3.07Å; L1232-A1260 PolarHBondContact O-N 3.16Å; L1232-A1260 VanDerWaalsContact O-N 3.1Å
1233	R	63	Low	59.6	Low	140 Å²	140	58.1 Å²	58.1	53%	0.528	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.6	174.2	-61.4	-176.3	-177.9	-174.5	-0.7	108.9	V1224 V1225 S1226 C1231 T1258 F1259	V1224-R1233 HydrophobicContact CB-CB 4.33Å; V1224-R1233 HydrophobicContact CG1-CB 4.48Å; V1224-R1233 PolarHBondContact N-O 3.19Å; V1224-R1233 PolarHBondContact O-N 3.08Å; V1224-R1233 VanDerWaalsContact O-N 3.17Å; V1225-R1233 CarbonylContact C-O 3.38Å; V1225-R1233 WeakPolarHBondContact CA-O 3.44Å; S1226-R1233 PolarHBondContact N-O 2.78Å; S1226-R1233 PolarHBondContact O-N 2.82Å; C1231-R1233 PolarHBondContact O-N 2.83Å; R1233-T1258 CarbonylContact C-O 3.41Å; R1233-T1258 VanDerWaalsContact CA-O 3.25Å; R1233-T1258 WeakPolarHBondContact CA-O 3.29Å; R1233-F1259 HydrophobicContact CB-CD1 4.28Å; R1233-F1259 HydrophobicContact CB-CE1 4.47Å; R1233-F1259 HydrophobicContact CG-CD1 3.86Å; R1233-F1259 HydrophobicContact CG-CD2 3.77Å; R1233-F1259 HydrophobicContact CG-CE1 4.29Å; R1233-F1259 HydrophobicContact CG-CE2 3.98Å; R1233-F1259 VanDerWaalsContact CZ-CE2 3.43Å
1234	Q	65.2	Low	58.9	Low	65.4 Å²	65.4	59.2 Å²	59.2	31%	0.306	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.8	174.5	-139.7	176.9	-16.3	0	0	109	H1221 I1222 Y1223 V1224 V1225 L1232 S1257 T1258	H1221-Q1234 PolarHBondContact CE1-NE2 3.07Å; H1221-Q1234 PolarHBondContact NE2-NE2 3.27Å; I1222-Q1234 CarbonylContact O-C 3.51Å; I1222-Q1234 WeakPolarHBondContact O-CA 3.29Å; Y1223-Q1234 HydrophobicContact CD1-CB 4.38Å; Y1223-Q1234 HydrophobicContact CD1-CG 4.05Å; Y1223-Q1234 HydrophobicContact CD2-CG 3.79Å; Y1223-Q1234 HydrophobicContact CE1-CG 3.88Å; Y1223-Q1234 HydrophobicContact CE2-CB 4.33Å; Y1223-Q1234 HydrophobicContact CE2-CG 4.41Å; V1224-Q1234 CarbonylContact O-C 3.41Å; V1224-Q1234 VanDerWaalsContact O-CA 3.3Å; V1224-Q1234 WeakPolarHBondContact O-CA 3.43Å; V1225-Q1234 HydrophobicContact CG1-CG 4.21Å; V1225-Q1234 HydrophobicContact CG2-CG 4.38Å; L1232-Q1234 HydrophobicContact CD2-CG 3.67Å; L1232-Q1234 HydrophobicContact CG-CG 4.39Å; Q1234-S1257 CarbonylContact O-C 3.43Å; Q1234-S1257 WeakPolarHBondContact O-CA 3.34Å; Q1234-T1258 VanDerWaalsContact CB-OG1 3.26Å; Q1234-T1258 WeakPolarHBondContact CB-OG1 3.34Å; Q1234-T1258 VanDerWaalsContact CG-OG1 3.28Å; Q1234-T1258 WeakPolarHBondContact CG-OG1 3.27Å; Q1234-T1258 PolarHBondContact N-O 2.87Å; Q1234-T1258 VanDerWaalsContact N-O 3.08Å; Q1234-T1258 PolarHBondContact O-N 3.23Å; Q1234-T1258 VanDerWaalsContact O-N 3.16Å; Q1234-T1258 PolarHBondContact O-OG1 3.22Å; Q1234-T1258 PolarHBondContact OE1-OG1 3.03Å
1235	F	63.4	Low	58.2	Low	76 Å²	76	63.6 Å²	63.6	33%	0.333	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.8	170.1	175.1	-89.4	0	0	0	107.8	I1222 Y1223 V1224 L1237 V1255 T1256	I1222-F1235 HydrophobicContact CB-CB 4.33Å; I1222-F1235 HydrophobicContact CB-CD1 4.4Å; I1222-F1235 HydrophobicContact CD1-CD1 3.97Å; I1222-F1235 HydrophobicContact CD1-CE1 4.43Å; I1222-F1235 HydrophobicContact CG1-CD1 4.23Å; I1222-F1235 PolarHBondContact N-O 2.98Å; I1222-F1235 PolarHBondContact O-N 3.05Å; Y1223-F1235 CarbonylContact C-O 3.52Å; Y1223-F1235 WeakPolarHBondContact CA-O 3.32Å; V1224-F1235 HydrophobicContact CB-CB 4.27Å; V1224-F1235 HydrophobicContact CG2-CD1 4.21Å; V1224-F1235 PolarHBondContact N-O 2.82Å; V1224-F1235 PolarHBondContact O-N 2.86Å; F1235-L1237 HydrophobicContact CE1-CB 3.8Å; F1235-L1237 HydrophobicContact CE1-CD1 4.4Å; F1235-L1237 HydrophobicContact CZ-CB 4.18Å; F1235-L1237 HydrophobicContact CZ-CD1 4.19Å; F1235-V1255 HydrophobicContact CD2-CG1 4.2Å; F1235-V1255 HydrophobicContact CE2-CG1 3.54Å; F1235-V1255 VanDerWaalsContact CE2-CG1 3.45Å; F1235-V1255 HydrophobicContact CZ-CG1 3.92Å; F1235-V1255 HydrophobicContact CZ-CG2 4.47Å; F1235-T1256 CarbonylContact C-O 3.54Å; F1235-T1256 VanDerWaalsContact CA-O 3.25Å; F1235-T1256 WeakPolarHBondContact CA-O 3.3Å
1236	S	65.3	Low	57.5	Low	14.4 Å²	14.4	69.9 Å²	69.9	10%	0.101	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.8	171.4	69	0	0	0	0	110	I1220 I1222 V1255 T1256	I1220-S1236 CarbonylContact O-C 3.59Å; I1220-S1236 VanDerWaalsContact O-CA 3.3Å; I1220-S1236 WeakPolarHBondContact O-CA 3.12Å; I1222-S1236 CarbonylContact O-C 3.51Å; I1222-S1236 WeakPolarHBondContact O-CA 3.28Å; S1236-V1255 CarbonylContact O-C 3.44Å; S1236-V1255 WeakPolarHBondContact O-CA 3.2Å; S1236-T1256 WeakPolarHBondContact CB-OG1 3.43Å; S1236-T1256 PolarHBondContact N-O 3.07Å; S1236-T1256 PolarHBondContact O-N 3.23Å; S1236-T1256 PolarHBondContact O-OG1 3.22Å; S1236-T1256 PolarHBondContact OG-N 2.72Å; S1236-T1256 PolarHBondContact OG-O 2.98Å; S1236-T1256 PolarHBondContact OG-OG1 2.98Å
1237	L	64.4	Low	56.9	Low	40 Å²	40	75.7 Å²	75.7	21%	0.209	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	109.3	171.4	173.8	82.8	0	0	0	107.2	Y1219 I1220 H1221 I1222 F1235 T1239 T1253 S1254 V1255	Y1219-L1237 CarbonylContact C-O 3.37Å; Y1219-L1237 WeakPolarHBondContact CA-O 3.21Å; I1220-L1237 HydrophobicContact CB-CB 4.37Å; I1220-L1237 HydrophobicContact CD1-CD2 4.21Å; I1220-L1237 HydrophobicContact CG1-CD2 4.32Å; I1220-L1237 PolarHBondContact N-O 3.04Å; I1220-L1237 PolarHBondContact O-N 2.92Å; H1221-L1237 CarbonylContact C-O 3.27Å; H1221-L1237 WeakPolarHBondContact CA-O 3.39Å; I1222-L1237 HydrophobicContact CB-CB 4.27Å; I1222-L1237 HydrophobicContact CD1-CD2 4.32Å; I1222-L1237 PolarHBondContact N-O 3.29Å; I1222-L1237 PolarHBondContact O-N 2.71Å; F1235-L1237 HydrophobicContact CE1-CB 3.8Å; F1235-L1237 HydrophobicContact CE1-CD1 4.4Å; F1235-L1237 HydrophobicContact CZ-CB 4.18Å; F1235-L1237 HydrophobicContact CZ-CD1 4.19Å; L1237-T1239 HydrophobicContact CD1-CG2 3.55Å; L1237-T1239 HydrophobicContact CD2-CG2 4.06Å; L1237-T1239 HydrophobicContact CG-CG2 4.09Å; L1237-T1253 HydrophobicContact CD1-CG2 3.72Å; L1237-T1253 VanDerWaalsContact CD1-CG2 3.49Å; L1237-S1254 CarbonylContact C-O 3.14Å; L1237-S1254 WeakPolarHBondContact CA-O 3.33Å; L1237-V1255 HydrophobicContact CB-CG2 4.2Å; L1237-V1255 HydrophobicContact CD1-CB 4.4Å; L1237-V1255 HydrophobicContact CD1-CG1 4.4Å; L1237-V1255 HydrophobicContact CD1-CG2 3.63Å; L1237-V1255 VanDerWaalsContact CD1-CG2 3.47Å; L1237-V1255 HydrophobicContact CG-CG2 4.17Å
1238	L	63.9	Low	56.6	Low	51.2 Å²	51.2	74.8 Å²	74.8	27%	0.268	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.5	175.9	-171.5	131.7	0	0	0	109	Y1219 H1221 N1240 T1253 S1254	Y1219-L1238 HydrophobicContact CD1-CB 4.47Å; Y1219-L1238 HydrophobicContact CD1-CD1 3.73Å; Y1219-L1238 HydrophobicContact CD1-CD2 4.49Å; Y1219-L1238 HydrophobicContact CD1-CG 3.55Å; Y1219-L1238 HydrophobicContact CD2-CB 3.92Å; Y1219-L1238 HydrophobicContact CD2-CD1 3.97Å; Y1219-L1238 HydrophobicContact CD2-CG 4.4Å; Y1219-L1238 HydrophobicContact CE1-CD1 3.33Å; Y1219-L1238 HydrophobicContact CE1-CD2 4.01Å; Y1219-L1238 HydrophobicContact CE1-CG 3.41Å; Y1219-L1238 VanDerWaalsContact CE1-CG 3.41Å; Y1219-L1238 HydrophobicContact CE2-CB 4.26Å; Y1219-L1238 HydrophobicContact CE2-CD1 4.44Å; Y1219-L1238 HydrophobicContact CG-CD1 4.17Å; H1221-L1238 HydrophobicContact CB-CD1 4.49Å; H1221-L1238 HydrophobicContact CB-CG 4.36Å; L1238-N1240 WeakPolarHBondContact CD1-OD1 3.27Å; L1238-N1240 HydrophobicContact CD2-CB 4.45Å; L1238-N1240 WeakPolarHBondContact CD2-ND2 3.28Å; L1238-N1240 WeakPolarHBondContact CD2-OD1 3.25Å; L1238-T1253 CarbonylContact O-C 3.39Å; L1238-T1253 VanDerWaalsContact O-CA 3.28Å; L1238-T1253 WeakPolarHBondContact O-CA 3.36Å; L1238-S1254 CarbonylContact C-O 3.55Å; L1238-S1254 PolarHBondContact N-O 3.08Å; L1238-S1254 PolarHBondContact O-N 3.06Å; L1238-S1254 PolarHBondContact O-OG 3.14Å
1239	T	59.6	Low	56.4	Low	26 Å²	26	78.5 Å²	78.5	16%	0.16	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.8	179.5	1.3	0	0	0	0	109.1	K1217 F1218 Y1219 I1220 L1237 I1251 K1252 T1253	K1217-T1239 CarbonylContact C-O 3.38Å; K1217-T1239 WeakPolarHBondContact CA-O 3.37Å; F1218-T1239 WeakPolarHBondContact CB-OG1 3.39Å; F1218-T1239 WeakPolarHBondContact CD1-OG1 3.27Å; F1218-T1239 PolarHBondContact N-O 3.12Å; F1218-T1239 WeakPolarHBondContact O-CA 3.44Å; F1218-T1239 PolarHBondContact O-N 2.96Å; F1218-T1239 VanDerWaalsContact O-O 3.13Å; F1218-T1239 PolarHBondContact O-OG1 2.81Å; Y1219-T1239 CarbonylContact C-O 3.54Å; Y1219-T1239 WeakPolarHBondContact CA-O 3.39Å; Y1219-T1239 WeakPolarHBondContact CB-O 3.22Å; I1220-T1239 VanDerWaalsContact CB-OG1 3.32Å; I1220-T1239 WeakPolarHBondContact CB-OG1 3.25Å; I1220-T1239 PolarHBondContact N-O 3.18Å; I1220-T1239 PolarHBondContact N-OG1 3.36Å; I1220-T1239 PolarHBondContact O-N 2.92Å; I1220-T1239 PolarHBondContact O-OG1 2.83Å; L1237-T1239 HydrophobicContact CD1-CG2 3.55Å; L1237-T1239 HydrophobicContact CD2-CG2 4.06Å; L1237-T1239 HydrophobicContact CG-CG2 4.09Å; T1239-I1251 HydrophobicContact CG2-CG2 4.17Å; T1239-K1252 CarbonylContact C-O 3.48Å; T1239-K1252 WeakPolarHBondContact CA-O 3.18Å; T1239-T1253 HydrophobicContact CG2-CG2 3.42Å; T1239-T1253 VanDerWaalsContact CG2-CG2 3.43Å; T1239-T1253 WeakPolarHBondContact CG2-OG1 3.41Å; T1239-T1253 WeakPolarHBondContact OG1-CG2 3.35Å; T1239-T1253 PolarHBondContact OG1-OG1 3.05Å
1240	N	64.8	Low	56.8	Low	54.4 Å²	54.4	71 Å²	71	29%	0.291	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.7	176.4	-71.8	-22.2	0	0	0	109.2	T1216 K1217 Y1219 L1238 G1242 I1251 K1252	T1216-N1240 CarbonylContact O-C 3.49Å; T1216-N1240 VanDerWaalsContact O-CA 3.28Å; T1216-N1240 WeakPolarHBondContact O-CA 3.23Å; K1217-N1240 WeakPolarHBondContact CB-OD1 3.19Å; K1217-N1240 VanDerWaalsContact CG-OD1 3.28Å; K1217-N1240 WeakPolarHBondContact CG-OD1 3.46Å; Y1219-N1240 WeakPolarHBondContact CB-OD1 3.49Å; L1238-N1240 WeakPolarHBondContact CD1-OD1 3.27Å; L1238-N1240 HydrophobicContact CD2-CB 4.45Å; L1238-N1240 WeakPolarHBondContact CD2-ND2 3.28Å; L1238-N1240 WeakPolarHBondContact CD2-OD1 3.25Å; N1240-G1242 PolarHBondContact O-N 3.36Å; N1240-I1251 CarbonylContact O-C 3.54Å; N1240-I1251 WeakPolarHBondContact O-CA 3.27Å; N1240-K1252 CarbonylContact C-O 3.6Å; N1240-K1252 HydrophobicContact CB-CB 4.32Å; N1240-K1252 PolarHBondContact N-O 2.82Å; N1240-K1252 VanDerWaalsContact N-O 3.15Å; N1240-K1252 PolarHBondContact O-N 2.98Å; N1240-K1252 VanDerWaalsContact O-O 3.14Å
1241	H	56.8	Low	57.3	Low	48.2 Å²	48.2	71.7 Å²	71.7	22%	0.223	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	105.7	173.3	-179.2	-76.3	0	0	0	109.3	F1207 T1216 F1218 V1243 S1250	F1207-H1241 HydrophobicContact CD2-CB 4.05Å; F1207-H1241 HydrophobicContact CE2-CB 3.77Å; F1207-H1241 HydrophobicContact CZ-CB 4.32Å; T1216-H1241 PolarHBondContact N-O 3.25Å; T1216-H1241 VanDerWaalsContact N-O 3.09Å; T1216-H1241 PolarHBondContact O-N 2.77Å; T1216-H1241 WeakPolarHBondContact OG1-CB 3.01Å; T1216-H1241 PolarHBondContact OG1-O 2.94Å; F1218-H1241 HydrophobicContact CB-CB 4.38Å; F1218-H1241 HydrophobicContact CD1-CB 4.18Å; F1218-H1241 PolarHBondContact N-O 2.89Å; F1218-H1241 CarbonylContact O-C 3.45Å; F1218-H1241 WeakPolarHBondContact O-CA 3.5Å; F1218-H1241 PolarHBondContact O-N 3.28Å; F1218-H1241 VanDerWaalsContact O-O 3.11Å; H1241-V1243 WeakPolarHBondContact CE1-CG2 3.42Å; H1241-S1250 WeakPolarHBondContact CA-O 3.32Å
1242	G	57.1	Low	57.7	Low	20.6 Å²	20.6	75.1 Å²	75.1	21%	0.212	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130	178.9	0	0	0	0	0	111.9	N1240 R1249 S1250	N1240-G1242 PolarHBondContact O-N 3.36Å; G1242-R1249 CarbonylContact O-C 3.57Å; G1242-R1249 WeakPolarHBondContact O-CA 3.45Å; G1242-S1250 PolarHBondContact N-O 3.06Å; G1242-S1250 VanDerWaalsContact N-O 3.14Å; G1242-S1250 PolarHBondContact O-N 2.9Å
1243	V	51.7	Low	58.1	Low	43.8 Å²	43.8	72.3 Å²	72.3	27%	0.265	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.5	171.6	-176.7	0	0	0	0	108	P1210 G1213 P1215 T1216 H1241 I1245 R1249	P1210-V1243 HydrophobicContact CB-CG2 4.1Å; P1210-V1243 HydrophobicContact CG-CG2 4.02Å; G1213-V1243 PolarHBondContact N-O 2.76Å; P1215-V1243 CarbonylContact C-O 3.56Å; P1215-V1243 WeakPolarHBondContact CA-O 3.24Å; T1216-V1243 PolarHBondContact N-O 2.83Å; T1216-V1243 PolarHBondContact O-N 3.24Å; H1241-V1243 WeakPolarHBondContact CE1-CG2 3.42Å; V1243-I1245 HydrophobicContact CG1-CG1 4.47Å; V1243-R1249 HydrophobicContact CB-CG 4.45Å; V1243-R1249 HydrophobicContact CG1-CG 4.28Å; V1243-R1249 HydrophobicContact CG2-CB 4.44Å; V1243-R1249 HydrophobicContact CG2-CG 4.17Å
1244	N	51.4	Low	58.3	Low	101.8 Å²	101.8	67 Å²	67	54%	0.544	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.2	176.5	-132.4	-5.8	0	0	0	110.7	P1215 Q1246 Q1247 S1248	P1215-N1244 HydrophobicContact CB-CB 4Å; N1244-Q1246 VanDerWaalsContact C-N 3.27Å; N1244-Q1246 PolarHBondContact O-N 3Å; N1244-Q1246 VanDerWaalsContact O-N 3.15Å; N1244-Q1247 CarbonylContact O-C 3.5Å; N1244-Q1247 PolarHBondContact O-N 2.76Å; N1244-S1248 PolarHBondContact N-O 2.8Å; N1244-S1248 VanDerWaalsContact N-O 3.15Å
1245	I	48.4	Very low	58.4	Low	125.6 Å²	125.6	65.1 Å²	65.1	64%	0.644	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.4	-170.9	-64.1	168	0	0	0	112.8	P1210 T1216 V1243 Q1247 Q1968	P1210-I1245 HydrophobicContact CB-CD1 4.18Å; T1216-I1245 HydrophobicContact CG2-CD1 4.43Å; V1243-I1245 HydrophobicContact CG1-CG1 4.47Å; I1245-Q1247 PolarHBondContact O-N 3.03Å; I1245-Q1247 VanDerWaalsContact O-N 3.14Å; I1245-Q1968 PolarHBondContact O-NE2 2.79Å; I1245-Q1968 PolarHBondContact O-OE1 2.8Å
1246	Q	48.6	Very low	58.6	Low	165.2 Å²	165.2	63.4 Å²	63.4	77%	0.772	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	19	-176.4	-70.4	-173.8	-21.1	0	0	115.1	N1244 S1248	N1244-Q1246 VanDerWaalsContact C-N 3.27Å; N1244-Q1246 PolarHBondContact O-N 3Å; N1244-Q1246 VanDerWaalsContact O-N 3.15Å; Q1246-S1248 PolarHBondContact O-N 2.97Å
1247	Q	45.9	Very low	58.7	Low	143.6 Å²	143.6	63.6 Å²	63.6	67%	0.671	33%	0.33	S	S	*	.	S	Bend	trans	107	21.4	169.2	-74.8	160.5	-1.6	0	0	117.5	Y1212 N1244 I1245 R1249 K2004	Y1212-Q1247 HydrophobicContact CE1-CG 4.04Å; Y1212-Q1247 WeakPolarHBondContact OH-CG 3.45Å; Y1212-Q1247 PolarHBondContact OH-NE2 2.85Å; Y1212-Q1247 VanDerWaalsContact OH-NE2 3.15Å; N1244-Q1247 CarbonylContact O-C 3.5Å; N1244-Q1247 PolarHBondContact O-N 2.76Å; I1245-Q1247 PolarHBondContact O-N 3.03Å; I1245-Q1247 VanDerWaalsContact O-N 3.14Å; Q1247-R1249 PolarHBondContact O-N 2.79Å; Q1247-K2004 HydrophobicContact CB-CG 4.33Å; Q1247-K2004 HydrophobicContact CG-CG 3.92Å
1248	S	48.7	Very low	58.9	Low	48.6 Å²	48.6	63.7 Å²	63.7	34%	0.34	33%	0.332	S	S	.	.			trans	-125.8	129.2	172	56.7	0	0	0	0	114	N1244 Q1246 S1250 D1278	N1244-S1248 PolarHBondContact N-O 2.8Å; N1244-S1248 VanDerWaalsContact N-O 3.15Å; Q1246-S1248 PolarHBondContact O-N 2.97Å; S1248-S1250 PolarHBondContact O-N 3.11Å; S1248-D1278 VanDerWaalsContact CA-OD1 3.22Å; S1248-D1278 WeakPolarHBondContact CA-OD1 3.33Å; S1248-D1278 VanDerWaalsContact CA-OD2 3.3Å; S1248-D1278 WeakPolarHBondContact CA-OD2 3.38Å; S1248-D1278 WeakPolarHBondContact CB-OD1 2.89Å
1249	R	52.8	Low	58.9	Low	161 Å²	161	65.1 Å²	65.1	61%	0.608	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.4	165.1	-58.1	177.3	177.3	179.7	-0.3	107.9	G1242 V1243 Q1247 I1251 D1278	G1242-R1249 CarbonylContact O-C 3.57Å; G1242-R1249 WeakPolarHBondContact O-CA 3.45Å; V1243-R1249 HydrophobicContact CB-CG 4.45Å; V1243-R1249 HydrophobicContact CG1-CG 4.28Å; V1243-R1249 HydrophobicContact CG2-CB 4.44Å; V1243-R1249 HydrophobicContact CG2-CG 4.17Å; Q1247-R1249 PolarHBondContact O-N 2.79Å; R1249-I1251 PolarHBondContact O-N 2.89Å; R1249-D1278 WeakPolarHBondContact CA-OD1 3.38Å; R1249-D1278 HydrophobicContact CB-CB 4.2Å; R1249-D1278 WeakPolarHBondContact CB-OD1 3.3Å; R1249-D1278 WeakPolarHBondContact CB-OD2 3.49Å; R1249-D1278 WeakPolarHBondContact CG-OD1 3.45Å; R1249-D1278 WeakPolarHBondContact CG-OD2 3.2Å; R1249-D1278 VanDerWaalsContact N-CG 3.26Å; R1249-D1278 PolarHBondContact N-OD1 2.99Å; R1249-D1278 PolarHBondContact N-OD2 2.9Å; R1249-D1278 PolarHBondContact O-N 2.9Å
1250	S	58.7	Low	59.1	Low	27 Å²	27	65.5 Å²	65.5	19%	0.189	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126	173.3	66.9	0	0	0	0	110.3	H1241 G1242 S1248 K1275 L1276	H1241-S1250 WeakPolarHBondContact CA-O 3.32Å; G1242-S1250 PolarHBondContact N-O 3.06Å; G1242-S1250 VanDerWaalsContact N-O 3.14Å; G1242-S1250 PolarHBondContact O-N 2.9Å; S1248-S1250 PolarHBondContact O-N 3.11Å; S1250-K1275 VanDerWaalsContact OG-CE 3.27Å; S1250-K1275 WeakPolarHBondContact OG-CE 3.33Å; S1250-L1276 VanDerWaalsContact CA-O 3.3Å; S1250-L1276 WeakPolarHBondContact CA-O 3.38Å; S1250-L1276 WeakPolarHBondContact CB-O 3.39Å
1251	I	61.6	Low	59	Low	56.8 Å²	56.8	64.8 Å²	64.8	29%	0.291	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.2	170.6	-55.6	176.8	0	0	0	106.5	T1239 N1240 R1249 T1253 W1274 K1275 L1276	T1239-I1251 HydrophobicContact CG2-CG2 4.17Å; N1240-I1251 CarbonylContact O-C 3.54Å; N1240-I1251 WeakPolarHBondContact O-CA 3.27Å; R1249-I1251 PolarHBondContact O-N 2.89Å; I1251-T1253 HydrophobicContact CG2-CG2 3.81Å; I1251-W1274 HydrophobicContact CD1-CZ2 3.98Å; I1251-W1274 PolarHBondContact N-O 2.82Å; I1251-W1274 PolarHBondContact O-N 3.45Å; I1251-K1275 CarbonylContact O-C 3.54Å; I1251-K1275 WeakPolarHBondContact O-CA 3.43Å; I1251-L1276 HydrophobicContact CB-CB 4.32Å; I1251-L1276 HydrophobicContact CB-CD1 4.45Å; I1251-L1276 HydrophobicContact CD1-CD1 4.5Å; I1251-L1276 PolarHBondContact N-O 3.16Å; I1251-L1276 PolarHBondContact O-N 3.04Å
1252	K	63	Low	59	Low	94.6 Å²	94.6	69.9 Å²	69.9	41%	0.411	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.1	170.9	-84.1	-170.2	-177.4	-158.7	0	108.6	T1239 N1240 E1273 W1274 K1275	T1239-K1252 CarbonylContact C-O 3.48Å; T1239-K1252 WeakPolarHBondContact CA-O 3.18Å; N1240-K1252 CarbonylContact C-O 3.6Å; N1240-K1252 HydrophobicContact CB-CB 4.32Å; N1240-K1252 PolarHBondContact N-O 2.82Å; N1240-K1252 VanDerWaalsContact N-O 3.15Å; N1240-K1252 PolarHBondContact O-N 2.98Å; N1240-K1252 VanDerWaalsContact O-O 3.14Å; K1252-E1273 VanDerWaalsContact CE-CD 3.42Å; K1252-E1273 WeakPolarHBondContact CE-OE1 3.1Å; K1252-E1273 VanDerWaalsContact CE-OE2 3.28Å; K1252-E1273 WeakPolarHBondContact CE-OE2 3.41Å; K1252-E1273 HydrophobicContact CG-CB 4.44Å; K1252-E1273 HydrophobicContact CG-CG 4.15Å; K1252-E1273 IonicContact NZ-OE1 2.73Å; K1252-E1273 PolarHBondContact NZ-OE1 3.11Å; K1252-E1273 IonicContact NZ-OE2 3.26Å; K1252-E1273 PolarHBondContact NZ-OE2 2.67Å; K1252-W1274 CarbonylContact C-O 3.55Å; K1252-W1274 WeakPolarHBondContact CA-O 3.31Å; K1252-K1275 HydrophobicContact CB-CG 4.17Å; K1252-K1275 HydrophobicContact CG-CB 4.19Å; K1252-K1275 HydrophobicContact CG-CG 4.23Å
1253	T	65.8	Low	59.1	Low	14.2 Å²	14.2	76.6 Å²	76.6	9%	0.087	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.1	178.1	11.7	0	0	0	0	108.7	L1237 L1238 T1239 I1251 V1255 L1272 E1273 W1274	L1237-T1253 HydrophobicContact CD1-CG2 3.72Å; L1237-T1253 VanDerWaalsContact CD1-CG2 3.49Å; L1238-T1253 CarbonylContact O-C 3.39Å; L1238-T1253 VanDerWaalsContact O-CA 3.28Å; L1238-T1253 WeakPolarHBondContact O-CA 3.36Å; T1239-T1253 HydrophobicContact CG2-CG2 3.42Å; T1239-T1253 VanDerWaalsContact CG2-CG2 3.43Å; T1239-T1253 WeakPolarHBondContact CG2-OG1 3.41Å; T1239-T1253 WeakPolarHBondContact OG1-CG2 3.35Å; T1239-T1253 PolarHBondContact OG1-OG1 3.05Å; I1251-T1253 HydrophobicContact CG2-CG2 3.81Å; T1253-V1255 HydrophobicContact CG2-CG2 4.39Å; T1253-L1272 PolarHBondContact N-O 3Å; T1253-L1272 PolarHBondContact O-N 2.83Å; T1253-L1272 PolarHBondContact OG1-O 2.97Å; T1253-E1273 CarbonylContact O-C 3.41Å; T1253-E1273 WeakPolarHBondContact O-CA 3.41Å; T1253-W1274 VanDerWaalsContact CB-CE2 3.44Å; T1253-W1274 VanDerWaalsContact CB-CZ2 3.48Å; T1253-W1274 HydrophobicContact CG2-CH2 3.86Å; T1253-W1274 HydrophobicContact CG2-CZ2 3.82Å; T1253-W1274 VanDerWaalsContact CG2-CZ2 3.41Å; T1253-W1274 PolarHBondContact N-O 3.04Å; T1253-W1274 VanDerWaalsContact O-CE3 3.27Å; T1253-W1274 PolarHBondContact O-N 2.99Å; T1253-W1274 VanDerWaalsContact O-N 3.08Å; T1253-W1274 VanDerWaalsContact OG1-CD1 3.3Å; T1253-W1274 VanDerWaalsContact OG1-CG 3.3Å; T1253-W1274 WeakPolarHBondContact OG1-CZ2 3.22Å; T1253-W1274 PolarHBondContact OG1-NE1 2.98Å; T1253-W1274 VanDerWaalsContact OG1-NE1 3.1Å; T1253-W1274 PolarHBondContact OG1-O 3.1Å
1254	S	68	Low	59.3	Low	29.2 Å²	29.2	79.2 Å²	79.2	20%	0.204	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.2	171.8	55.7	0	0	0	0	109.7	L1237 L1238 L1272	L1237-S1254 CarbonylContact C-O 3.14Å; L1237-S1254 WeakPolarHBondContact CA-O 3.33Å; L1238-S1254 CarbonylContact C-O 3.55Å; L1238-S1254 PolarHBondContact N-O 3.08Å; L1238-S1254 PolarHBondContact O-N 3.06Å; L1238-S1254 PolarHBondContact O-OG 3.14Å; S1254-L1272 CarbonylContact C-O 3.55Å; S1254-L1272 WeakPolarHBondContact CA-O 3.32Å
1255	V	66.7	Low	59.7	Low	25.8 Å²	25.8	74.9 Å²	74.9	16%	0.156	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.3	170.4	-179.7	0	0	0	0	107.5	F1235 S1236 L1237 T1253 N1270 E1271 L1272 W1274	F1235-V1255 HydrophobicContact CD2-CG1 4.2Å; F1235-V1255 HydrophobicContact CE2-CG1 3.54Å; F1235-V1255 VanDerWaalsContact CE2-CG1 3.45Å; F1235-V1255 HydrophobicContact CZ-CG1 3.92Å; F1235-V1255 HydrophobicContact CZ-CG2 4.47Å; S1236-V1255 CarbonylContact O-C 3.44Å; S1236-V1255 WeakPolarHBondContact O-CA 3.2Å; L1237-V1255 HydrophobicContact CB-CG2 4.2Å; L1237-V1255 HydrophobicContact CD1-CB 4.4Å; L1237-V1255 HydrophobicContact CD1-CG1 4.4Å; L1237-V1255 HydrophobicContact CD1-CG2 3.63Å; L1237-V1255 VanDerWaalsContact CD1-CG2 3.47Å; L1237-V1255 HydrophobicContact CG-CG2 4.17Å; T1253-V1255 HydrophobicContact CG2-CG2 4.39Å; V1255-N1270 HydrophobicContact CB-CB 4.46Å; V1255-N1270 PolarHBondContact N-O 2.99Å; V1255-N1270 PolarHBondContact O-N 2.78Å; V1255-E1271 CarbonylContact O-C 3.5Å; V1255-E1271 WeakPolarHBondContact O-CA 3.3Å; V1255-L1272 HydrophobicContact CB-CB 4.36Å; V1255-L1272 PolarHBondContact N-O 3.09Å; V1255-L1272 PolarHBondContact O-N 2.94Å; V1255-W1274 HydrophobicContact CB-CZ3 4.41Å; V1255-W1274 HydrophobicContact CG2-CH2 3.86Å; V1255-W1274 HydrophobicContact CG2-CZ3 3.84Å
1256	T	67.1	Low	60.6	Low	39.8 Å²	39.8	72.6 Å²	72.6	24%	0.244	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.5	169.5	62.8	0	0	0	0	109	F1235 S1236 N1270 E1271	F1235-T1256 CarbonylContact C-O 3.54Å; F1235-T1256 VanDerWaalsContact CA-O 3.25Å; F1235-T1256 WeakPolarHBondContact CA-O 3.3Å; S1236-T1256 WeakPolarHBondContact CB-OG1 3.43Å; S1236-T1256 PolarHBondContact N-O 3.07Å; S1236-T1256 PolarHBondContact O-N 3.23Å; S1236-T1256 PolarHBondContact O-OG1 3.22Å; S1236-T1256 PolarHBondContact OG-N 2.72Å; S1236-T1256 PolarHBondContact OG-O 2.98Å; S1236-T1256 PolarHBondContact OG-OG1 2.98Å; T1256-N1270 CarbonylContact C-O 3.44Å; T1256-N1270 VanDerWaalsContact CA-O 3.25Å; T1256-N1270 WeakPolarHBondContact CA-O 3.35Å; T1256-E1271 HydrophobicContact CG2-CB 4.09Å; T1256-E1271 HydrophobicContact CG2-CG 3.87Å
1257	S	68.3	Low	61.7	Low	19 Å²	19	67.4 Å²	67.4	13%	0.133	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.6	173.9	107.1	0	0	0	0	109.6	Q1234 F1259 L1268 N1269 N1270	Q1234-S1257 CarbonylContact O-C 3.43Å; Q1234-S1257 WeakPolarHBondContact O-CA 3.34Å; S1257-F1259 WeakPolarHBondContact OG-CE2 3.45Å; S1257-F1259 WeakPolarHBondContact OG-CZ 3.46Å; S1257-L1268 PolarHBondContact N-O 2.89Å; S1257-L1268 PolarHBondContact O-N 2.87Å; S1257-N1269 WeakPolarHBondContact O-CA 3.39Å; S1257-N1270 PolarHBondContact N-O 2.9Å; S1257-N1270 VanDerWaalsContact N-O 3.15Å; S1257-N1270 PolarHBondContact O-N 2.89Å; S1257-N1270 VanDerWaalsContact O-N 3.16Å; S1257-N1270 WeakPolarHBondContact OG-CB 3.43Å; S1257-N1270 PolarHBondContact OG-ND2 2.77Å
1258	T	67.8	Low	63	Low	41 Å²	41	62.8 Å²	62.8	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.9	177.2	59.8	0	0	0	0	109.2	R1233 Q1234 I1267 L1268 N1269	R1233-T1258 CarbonylContact C-O 3.41Å; R1233-T1258 VanDerWaalsContact CA-O 3.25Å; R1233-T1258 WeakPolarHBondContact CA-O 3.29Å; Q1234-T1258 VanDerWaalsContact CB-OG1 3.26Å; Q1234-T1258 WeakPolarHBondContact CB-OG1 3.34Å; Q1234-T1258 VanDerWaalsContact CG-OG1 3.28Å; Q1234-T1258 WeakPolarHBondContact CG-OG1 3.27Å; Q1234-T1258 PolarHBondContact N-O 2.87Å; Q1234-T1258 VanDerWaalsContact N-O 3.08Å; Q1234-T1258 PolarHBondContact O-N 3.23Å; Q1234-T1258 VanDerWaalsContact O-N 3.16Å; Q1234-T1258 PolarHBondContact O-OG1 3.22Å; Q1234-T1258 PolarHBondContact OE1-OG1 3.03Å; T1258-I1267 HydrophobicContact CG2-CG2 4.28Å; T1258-L1268 CarbonylContact C-O 3.55Å; T1258-L1268 WeakPolarHBondContact CA-O 3.32Å; T1258-N1269 VanDerWaalsContact CB-OD1 3.27Å; T1258-N1269 WeakPolarHBondContact CB-OD1 3.2Å; T1258-N1269 HydrophobicContact CG2-CB 4.35Å; T1258-N1269 VanDerWaalsContact CG2-OD1 3.29Å; T1258-N1269 WeakPolarHBondContact CG2-OD1 3.13Å
1259	F	64.2	Low	64.3	Low	80.4 Å²	80.4	63.4 Å²	63.4	35%	0.353	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	98.1	175	-77.9	-89.2	0	0	0	107.7	R1233 S1257 D1261 F1266 I1267 L1268	R1233-F1259 HydrophobicContact CB-CD1 4.28Å; R1233-F1259 HydrophobicContact CB-CE1 4.47Å; R1233-F1259 HydrophobicContact CG-CD1 3.86Å; R1233-F1259 HydrophobicContact CG-CD2 3.77Å; R1233-F1259 HydrophobicContact CG-CE1 4.29Å; R1233-F1259 HydrophobicContact CG-CE2 3.98Å; R1233-F1259 VanDerWaalsContact CZ-CE2 3.43Å; S1257-F1259 WeakPolarHBondContact OG-CE2 3.45Å; S1257-F1259 WeakPolarHBondContact OG-CZ 3.46Å; F1259-D1261 VanDerWaalsContact C-N 3.3Å; F1259-D1261 HydrophobicContact CD1-CB 4.46Å; F1259-D1261 HydrophobicContact CE1-CB 3.89Å; F1259-D1261 PolarHBondContact O-N 3.45Å; F1259-D1261 VanDerWaalsContact O-N 3.13Å; F1259-F1266 PolarHBondContact N-O 2.87Å; F1259-I1267 CarbonylContact O-C 3.51Å; F1259-I1267 WeakPolarHBondContact O-CA 3.31Å; F1259-L1268 HydrophobicContact CB-CB 4.35Å; F1259-L1268 HydrophobicContact CD2-CD2 3.79Å; F1259-L1268 HydrophobicContact CE2-CD2 4.37Å; F1259-L1268 PolarHBondContact N-O 3.11Å; F1259-L1268 PolarHBondContact O-N 3.18Å
1260	A	62.9	Low	65.3	Low	35 Å²	35	57.9 Å²	57.9	29%	0.289	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.9	175.1	0	0	0	0	0	109.7	C1231 L1232 F1266 I1267	C1231-A1260 CarbonylContact C-O 3.58Å; C1231-A1260 VanDerWaalsContact CA-O 3.27Å; C1231-A1260 WeakPolarHBondContact CA-O 3.46Å; L1232-A1260 HydrophobicContact CB-CB 4.47Å; L1232-A1260 PolarHBondContact N-O 3.07Å; L1232-A1260 PolarHBondContact O-N 3.16Å; L1232-A1260 VanDerWaalsContact O-N 3.1Å; A1260-F1266 CarbonylContact C-O 3.39Å; A1260-F1266 WeakPolarHBondContact CA-O 3.25Å; A1260-I1267 HydrophobicContact CB-CG1 4.17Å; A1260-I1267 HydrophobicContact CB-CG2 4.44Å
1261	D	62.5	Low	66.1	Low	39.2 Å²	39.2	61.9 Å²	61.9	21%	0.21	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	110	166.6	-169.3	-36.4	0	0	0	108.8	S1230 C1231 F1259 K1263 I1264 G1265 F1266	S1230-D1261 CarbonylContact O-C 3.45Å; S1230-D1261 VanDerWaalsContact O-CA 3.3Å; S1230-D1261 WeakPolarHBondContact O-CA 3.44Å; C1231-D1261 PolarHBondContact SG-OD2 3.22Å; F1259-D1261 VanDerWaalsContact C-N 3.3Å; F1259-D1261 HydrophobicContact CD1-CB 4.46Å; F1259-D1261 HydrophobicContact CE1-CB 3.89Å; F1259-D1261 PolarHBondContact O-N 3.45Å; F1259-D1261 VanDerWaalsContact O-N 3.13Å; D1261-K1263 VanDerWaalsContact C-N 3.31Å; D1261-K1263 PolarHBondContact O-N 3.14Å; D1261-K1263 VanDerWaalsContact O-N 3.08Å; D1261-K1263 WeakPolarHBondContact OD1-CA 3.2Å; D1261-K1263 WeakPolarHBondContact OD1-CB 3.23Å; D1261-K1263 PolarHBondContact OD1-N 3.03Å; D1261-I1264 HydrophobicContact CB-CB 4.26Å; D1261-I1264 HydrophobicContact CB-CD1 4.47Å; D1261-I1264 HydrophobicContact CB-CG1 4.36Å; D1261-I1264 CarbonylContact O-C 3.49Å; D1261-I1264 PolarHBondContact O-N 3.03Å; D1261-I1264 PolarHBondContact OD1-N 3.09Å; D1261-I1264 WeakPolarHBondContact OD2-CD1 3.42Å; D1261-I1264 WeakPolarHBondContact OD2-CG1 3.29Å; D1261-G1265 CarbonylContact O-C 3.44Å; D1261-G1265 WeakPolarHBondContact O-CA 3.23Å; D1261-G1265 PolarHBondContact O-N 3.06Å; D1261-G1265 VanDerWaalsContact O-N 3.15Å; D1261-F1266 HydrophobicContact CB-CB 4.48Å; D1261-F1266 PolarHBondContact N-O 2.83Å; D1261-F1266 VanDerWaalsContact N-O 3.11Å; D1261-F1266 PolarHBondContact O-N 3.04Å
1262	E	57.9	Low	66.9	Low	156 Å²	156	61.8 Å²	61.8	73%	0.729	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.7	-179	-67.2	-172.6	153.6	0	0	112.8	S1230 G1265	S1230-E1262 WeakPolarHBondContact CB-OE2 3.27Å; S1230-E1262 PolarHBondContact O-N 3.13Å; S1230-E1262 WeakPolarHBondContact OG-CB 3.32Å; S1230-E1262 PolarHBondContact OG-OE2 3.36Å; E1262-G1265 PolarHBondContact O-N 3.14Å
1263	K	58.2	Low	67.5	Low	160.6 Å²	160.6	60.6 Å²	60.6	70%	0.698	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-37	179.9	-70.2	-176.3	176.7	178.8	0	112.2	S1230 D1261 G1265	S1230-K1263 VanDerWaalsContact CB-CE 3.49Å; S1230-K1263 PolarHBondContact OG-NZ 2.81Å; S1230-K1263 VanDerWaalsContact OG-NZ 3.15Å; D1261-K1263 VanDerWaalsContact C-N 3.31Å; D1261-K1263 PolarHBondContact O-N 3.14Å; D1261-K1263 VanDerWaalsContact O-N 3.08Å; D1261-K1263 WeakPolarHBondContact OD1-CA 3.2Å; D1261-K1263 WeakPolarHBondContact OD1-CB 3.23Å; D1261-K1263 PolarHBondContact OD1-N 3.03Å; K1263-G1265 VanDerWaalsContact C-N 3.27Å
1264	I	56.1	Low	68	Low	99.2 Å²	99.2	63.4 Å²	63.4	51%	0.509	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-7.3	179	-50.9	176	0	0	0	109.6	D1261 F1266 S1295	D1261-I1264 HydrophobicContact CB-CB 4.26Å; D1261-I1264 HydrophobicContact CB-CD1 4.47Å; D1261-I1264 HydrophobicContact CB-CG1 4.36Å; D1261-I1264 CarbonylContact O-C 3.49Å; D1261-I1264 PolarHBondContact O-N 3.03Å; D1261-I1264 PolarHBondContact OD1-N 3.09Å; D1261-I1264 WeakPolarHBondContact OD2-CD1 3.42Å; D1261-I1264 WeakPolarHBondContact OD2-CG1 3.29Å; I1264-F1266 VanDerWaalsContact C-N 3.28Å; I1264-F1266 HydrophobicContact CB-CB 4.11Å; I1264-F1266 HydrophobicContact CB-CD2 3.91Å; I1264-F1266 HydrophobicContact CG2-CB 3.94Å; I1264-F1266 HydrophobicContact CG2-CD2 3.27Å; I1264-F1266 HydrophobicContact CG2-CE2 3.5Å; I1264-F1266 VanDerWaalsContact CG2-CE2 3.43Å; I1264-F1266 HydrophobicContact CG2-CG 4.32Å; I1264-F1266 WeakPolarHBondContact O-CD2 3.35Å; I1264-F1266 PolarHBondContact O-N 2.84Å; I1264-S1295 WeakPolarHBondContact O-CB 3.4Å; I1264-S1295 PolarHBondContact O-OG 2.8Å
1265	G	59.8	Low	68.2	Low	10.4 Å²	10.4	64.3 Å²	64.3	11%	0.107	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	31.2	-174	0	0	0	0	0	112.1	D1261 E1262 K1263 S1293 K1294	D1261-G1265 CarbonylContact O-C 3.44Å; D1261-G1265 WeakPolarHBondContact O-CA 3.23Å; D1261-G1265 PolarHBondContact O-N 3.06Å; D1261-G1265 VanDerWaalsContact O-N 3.15Å; E1262-G1265 PolarHBondContact O-N 3.14Å; K1263-G1265 VanDerWaalsContact C-N 3.27Å; G1265-S1293 CarbonylContact O-C 3.57Å; G1265-S1293 WeakPolarHBondContact O-CA 3.45Å; G1265-K1294 WeakPolarHBondContact O-CB 3.23Å; G1265-K1294 PolarHBondContact O-N 3.02Å
1266	F	67	Low	68.2	Low	77.4 Å²	77.4	65 Å²	65	34%	0.339	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.8	-178.5	-142.4	-86.4	0	0	0	110.7	F1259 A1260 D1261 I1264 L1268 I1291 Y1292 S1293	F1259-F1266 PolarHBondContact N-O 2.87Å; A1260-F1266 CarbonylContact C-O 3.39Å; A1260-F1266 WeakPolarHBondContact CA-O 3.25Å; D1261-F1266 HydrophobicContact CB-CB 4.48Å; D1261-F1266 PolarHBondContact N-O 2.83Å; D1261-F1266 VanDerWaalsContact N-O 3.11Å; D1261-F1266 PolarHBondContact O-N 3.04Å; I1264-F1266 VanDerWaalsContact C-N 3.28Å; I1264-F1266 HydrophobicContact CB-CB 4.11Å; I1264-F1266 HydrophobicContact CB-CD2 3.91Å; I1264-F1266 HydrophobicContact CG2-CB 3.94Å; I1264-F1266 HydrophobicContact CG2-CD2 3.27Å; I1264-F1266 HydrophobicContact CG2-CE2 3.5Å; I1264-F1266 VanDerWaalsContact CG2-CE2 3.43Å; I1264-F1266 HydrophobicContact CG2-CG 4.32Å; I1264-F1266 WeakPolarHBondContact O-CD2 3.35Å; I1264-F1266 PolarHBondContact O-N 2.84Å; F1266-L1268 HydrophobicContact CD1-CB 4.46Å; F1266-L1268 HydrophobicContact CE1-CB 3.56Å; F1266-L1268 HydrophobicContact CE1-CD1 4.35Å; F1266-L1268 HydrophobicContact CZ-CB 3.87Å; F1266-L1268 HydrophobicContact CZ-CD1 4.08Å; F1266-I1291 HydrophobicContact CD1-CG2 4.2Å; F1266-I1291 HydrophobicContact CD2-CG2 4.38Å; F1266-I1291 HydrophobicContact CE2-CG2 3.44Å; F1266-I1291 VanDerWaalsContact CE2-CG2 3.43Å; F1266-I1291 HydrophobicContact CZ-CG2 3.78Å; F1266-Y1292 CarbonylContact C-O 3.4Å; F1266-Y1292 VanDerWaalsContact CA-O 3.26Å; F1266-Y1292 WeakPolarHBondContact CA-O 3.35Å; F1266-S1293 VanDerWaalsContact CE1-CB 3.49Å
1267	I	71.8	Confident	68	Low	56.2 Å²	56.2	64.9 Å²	64.9	29%	0.288	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.2	171.8	-56.5	176.6	0	0	0	107.1	T1258 F1259 A1260 N1269 I1291 Y1292	T1258-I1267 HydrophobicContact CG2-CG2 4.28Å; F1259-I1267 CarbonylContact O-C 3.51Å; F1259-I1267 WeakPolarHBondContact O-CA 3.31Å; A1260-I1267 HydrophobicContact CB-CG1 4.17Å; A1260-I1267 HydrophobicContact CB-CG2 4.44Å; I1267-N1269 WeakPolarHBondContact CG2-OD1 3.12Å; I1267-I1291 CarbonylContact O-C 3.33Å; I1267-I1291 WeakPolarHBondContact O-CA 3.3Å; I1267-Y1292 HydrophobicContact CD1-CD1 4.25Å; I1267-Y1292 HydrophobicContact CG1-CD1 4.44Å; I1267-Y1292 PolarHBondContact N-O 2.88Å; I1267-Y1292 PolarHBondContact O-N 2.81Å
1268	L	73.9	Confident	67.4	Low	48 Å²	48	68.6 Å²	68.6	25%	0.251	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113	172.1	-178.3	151.9	0	0	0	108.7	S1257 T1258 F1259 F1266 N1270 D1290 I1291	S1257-L1268 PolarHBondContact N-O 2.89Å; S1257-L1268 PolarHBondContact O-N 2.87Å; T1258-L1268 CarbonylContact C-O 3.55Å; T1258-L1268 WeakPolarHBondContact CA-O 3.32Å; F1259-L1268 HydrophobicContact CB-CB 4.35Å; F1259-L1268 HydrophobicContact CD2-CD2 3.79Å; F1259-L1268 HydrophobicContact CE2-CD2 4.37Å; F1259-L1268 PolarHBondContact N-O 3.11Å; F1259-L1268 PolarHBondContact O-N 3.18Å; F1266-L1268 HydrophobicContact CD1-CB 4.46Å; F1266-L1268 HydrophobicContact CE1-CB 3.56Å; F1266-L1268 HydrophobicContact CE1-CD1 4.35Å; F1266-L1268 HydrophobicContact CZ-CB 3.87Å; F1266-L1268 HydrophobicContact CZ-CD1 4.08Å; L1268-N1270 HydrophobicContact CD2-CB 4.22Å; L1268-N1270 WeakPolarHBondContact CD2-ND2 3.29Å; L1268-N1270 VanDerWaalsContact CD2-OD1 3.28Å; L1268-N1270 WeakPolarHBondContact CD2-OD1 3.47Å; L1268-D1290 WeakPolarHBondContact CA-O 3.46Å; L1268-I1291 HydrophobicContact CD1-CD1 4.1Å; L1268-I1291 HydrophobicContact CD1-CG1 4.1Å; L1268-I1291 HydrophobicContact CG-CG1 4.24Å
1269	N	75.3	Confident	66.8	Low	60.4 Å²	60.4	73.9 Å²	73.9	32%	0.323	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116	177.1	-68	-18.7	0	0	0	108.5	S1257 T1258 I1267 T1289 D1290	S1257-N1269 WeakPolarHBondContact O-CA 3.39Å; T1258-N1269 VanDerWaalsContact CB-OD1 3.27Å; T1258-N1269 WeakPolarHBondContact CB-OD1 3.2Å; T1258-N1269 HydrophobicContact CG2-CB 4.35Å; T1258-N1269 VanDerWaalsContact CG2-OD1 3.29Å; T1258-N1269 WeakPolarHBondContact CG2-OD1 3.13Å; I1267-N1269 WeakPolarHBondContact CG2-OD1 3.12Å; N1269-T1289 CarbonylContact O-C 3.41Å; N1269-T1289 WeakPolarHBondContact O-CA 3.28Å; N1269-D1290 HydrophobicContact CB-CB 4.45Å; N1269-D1290 PolarHBondContact N-O 2.99Å; N1269-D1290 VanDerWaalsContact N-O 3.15Å; N1269-D1290 PolarHBondContact O-N 3.08Å
1270	N	73.9	Confident	66.4	Low	46.6 Å²	46.6	72.4 Å²	72.4	25%	0.249	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129	172.1	-95.7	-38.4	0	0	0	109.1	V1255 T1256 S1257 L1268 T1288 T1289	V1255-N1270 HydrophobicContact CB-CB 4.46Å; V1255-N1270 PolarHBondContact N-O 2.99Å; V1255-N1270 PolarHBondContact O-N 2.78Å; T1256-N1270 CarbonylContact C-O 3.44Å; T1256-N1270 VanDerWaalsContact CA-O 3.25Å; T1256-N1270 WeakPolarHBondContact CA-O 3.35Å; S1257-N1270 PolarHBondContact N-O 2.9Å; S1257-N1270 VanDerWaalsContact N-O 3.15Å; S1257-N1270 PolarHBondContact O-N 2.89Å; S1257-N1270 VanDerWaalsContact O-N 3.16Å; S1257-N1270 WeakPolarHBondContact OG-CB 3.43Å; S1257-N1270 PolarHBondContact OG-ND2 2.77Å; L1268-N1270 HydrophobicContact CD2-CB 4.22Å; L1268-N1270 WeakPolarHBondContact CD2-ND2 3.29Å; L1268-N1270 VanDerWaalsContact CD2-OD1 3.28Å; L1268-N1270 WeakPolarHBondContact CD2-OD1 3.47Å; N1270-T1288 CarbonylContact C-O 3.53Å; N1270-T1288 VanDerWaalsContact CA-O 3.23Å; N1270-T1288 WeakPolarHBondContact CA-O 3.22Å; N1270-T1289 HydrophobicContact CB-CG2 4.13Å; N1270-T1289 WeakPolarHBondContact ND2-CG2 3.44Å; N1270-T1289 WeakPolarHBondContact OD1-CB 3.33Å; N1270-T1289 VanDerWaalsContact OD1-CG2 3.25Å; N1270-T1289 WeakPolarHBondContact OD1-CG2 3.43Å
1271	E	76.8	Confident	66.3	Low	110.4 Å²	110.4	74.3 Å²	74.3	52%	0.516	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.3	167.1	-49.5	-176.5	141.3	0	0	108.8	V1255 T1256 S1287 T1288	V1255-E1271 CarbonylContact O-C 3.5Å; V1255-E1271 WeakPolarHBondContact O-CA 3.3Å; T1256-E1271 HydrophobicContact CG2-CB 4.09Å; T1256-E1271 HydrophobicContact CG2-CG 3.87Å; E1271-S1287 CarbonylContact O-C 3.58Å; E1271-S1287 WeakPolarHBondContact O-CA 3.3Å; E1271-S1287 PolarHBondContact O-OG 2.89Å; E1271-T1288 VanDerWaalsContact CB-OG1 3.26Å; E1271-T1288 WeakPolarHBondContact CB-OG1 3.19Å; E1271-T1288 VanDerWaalsContact CG-OG1 3.31Å; E1271-T1288 WeakPolarHBondContact CG-OG1 3.4Å; E1271-T1288 PolarHBondContact N-O 3.08Å; E1271-T1288 VanDerWaalsContact N-O 3.09Å; E1271-T1288 PolarHBondContact O-N 2.87Å; E1271-T1288 PolarHBondContact O-OG1 2.93Å; E1271-T1288 PolarHBondContact OE2-OG1 2.78Å; E1271-T1288 VanDerWaalsContact OE2-OG1 3.05Å
1272	L	77.5	Confident	66.2	Low	54.2 Å²	54.2	76.1 Å²	76.1	28%	0.284	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	108.9	179.1	177.5	67	0	0	0	108.8	T1253 S1254 V1255 W1274 L1285 H1286	T1253-L1272 PolarHBondContact N-O 3Å; T1253-L1272 PolarHBondContact O-N 2.83Å; T1253-L1272 PolarHBondContact OG1-O 2.97Å; S1254-L1272 CarbonylContact C-O 3.55Å; S1254-L1272 WeakPolarHBondContact CA-O 3.32Å; V1255-L1272 HydrophobicContact CB-CB 4.36Å; V1255-L1272 PolarHBondContact N-O 3.09Å; V1255-L1272 PolarHBondContact O-N 2.94Å; L1272-W1274 HydrophobicContact CD1-CE3 4.47Å; L1272-W1274 HydrophobicContact CD2-CE3 4Å; L1272-W1274 HydrophobicContact CD2-CZ3 3.68Å; L1272-W1274 HydrophobicContact CG-CE3 3.79Å; L1272-W1274 HydrophobicContact CG-CZ3 3.86Å; L1272-W1274 WeakPolarHBondContact O-CZ3 3.34Å; L1272-L1285 HydrophobicContact CD1-CD1 4.09Å; L1272-L1285 HydrophobicContact CD1-CD2 4.12Å; L1272-L1285 HydrophobicContact CD1-CG 4.29Å; L1272-H1286 CarbonylContact C-O 3.55Å; L1272-H1286 VanDerWaalsContact CA-O 3.28Å; L1272-H1286 WeakPolarHBondContact CA-O 3.31Å
1273	E	76.6	Confident	66.9	Low	70 Å²	70	69.7 Å²	69.7	33%	0.327	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.3	175.9	-138.8	-171.1	176.2	0	0	110.4	K1252 T1253 R1284 L1285 H1286	K1252-E1273 VanDerWaalsContact CE-CD 3.42Å; K1252-E1273 WeakPolarHBondContact CE-OE1 3.1Å; K1252-E1273 VanDerWaalsContact CE-OE2 3.28Å; K1252-E1273 WeakPolarHBondContact CE-OE2 3.41Å; K1252-E1273 HydrophobicContact CG-CB 4.44Å; K1252-E1273 HydrophobicContact CG-CG 4.15Å; K1252-E1273 IonicContact NZ-OE1 2.73Å; K1252-E1273 PolarHBondContact NZ-OE1 3.11Å; K1252-E1273 IonicContact NZ-OE2 3.26Å; K1252-E1273 PolarHBondContact NZ-OE2 2.67Å; T1253-E1273 CarbonylContact O-C 3.41Å; T1253-E1273 WeakPolarHBondContact O-CA 3.41Å; E1273-R1284 IonicContact OE2-CZ 2.94Å; E1273-R1284 IonicContact OE2-NE 2.9Å; E1273-R1284 PolarHBondContact OE2-NE 3.18Å; E1273-R1284 IonicContact OE2-NH1 3.85Å; E1273-R1284 PolarHBondContact OE2-NH1 3.08Å; E1273-R1284 IonicContact OE2-NH2 3.63Å; E1273-R1284 PolarHBondContact OE2-NH2 3.11Å; E1273-L1285 CarbonylContact O-C 3.36Å; E1273-L1285 WeakPolarHBondContact O-CA 3.36Å; E1273-H1286 HydrophobicContact CB-CB 4.38Å; E1273-H1286 PolarHBondContact N-O 3.07Å; E1273-H1286 PolarHBondContact O-N 3.03Å; E1273-H1286 VanDerWaalsContact O-O 3.13Å
1274	W	75.3	Confident	67.7	Low	72.8 Å²	72.8	65.9 Å²	65.9	28%	0.276	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150	171.1	66.1	80.3	0	0	0	112.5	I1251 K1252 T1253 V1255 L1272 L1276 R1284 L1285	I1251-W1274 HydrophobicContact CD1-CZ2 3.98Å; I1251-W1274 PolarHBondContact N-O 2.82Å; I1251-W1274 PolarHBondContact O-N 3.45Å; K1252-W1274 CarbonylContact C-O 3.55Å; K1252-W1274 WeakPolarHBondContact CA-O 3.31Å; T1253-W1274 VanDerWaalsContact CB-CE2 3.44Å; T1253-W1274 VanDerWaalsContact CB-CZ2 3.48Å; T1253-W1274 HydrophobicContact CG2-CH2 3.86Å; T1253-W1274 HydrophobicContact CG2-CZ2 3.82Å; T1253-W1274 VanDerWaalsContact CG2-CZ2 3.41Å; T1253-W1274 PolarHBondContact N-O 3.04Å; T1253-W1274 VanDerWaalsContact O-CE3 3.27Å; T1253-W1274 PolarHBondContact O-N 2.99Å; T1253-W1274 VanDerWaalsContact O-N 3.08Å; T1253-W1274 VanDerWaalsContact OG1-CD1 3.3Å; T1253-W1274 VanDerWaalsContact OG1-CG 3.3Å; T1253-W1274 WeakPolarHBondContact OG1-CZ2 3.22Å; T1253-W1274 PolarHBondContact OG1-NE1 2.98Å; T1253-W1274 VanDerWaalsContact OG1-NE1 3.1Å; T1253-W1274 PolarHBondContact OG1-O 3.1Å; V1255-W1274 HydrophobicContact CB-CZ3 4.41Å; V1255-W1274 HydrophobicContact CG2-CH2 3.86Å; V1255-W1274 HydrophobicContact CG2-CZ3 3.84Å; L1272-W1274 HydrophobicContact CD1-CE3 4.47Å; L1272-W1274 HydrophobicContact CD2-CE3 4Å; L1272-W1274 HydrophobicContact CD2-CZ3 3.68Å; L1272-W1274 HydrophobicContact CG-CE3 3.79Å; L1272-W1274 HydrophobicContact CG-CZ3 3.86Å; L1272-W1274 WeakPolarHBondContact O-CZ3 3.34Å; W1274-L1276 HydrophobicContact CE3-CD1 4.11Å; W1274-L1276 HydrophobicContact CE3-CD2 4.18Å; W1274-L1276 HydrophobicContact CE3-CG 4.04Å; W1274-L1276 HydrophobicContact CH2-CD1 4.11Å; W1274-L1276 HydrophobicContact CZ3-CD1 3.66Å; W1274-L1276 HydrophobicContact CZ3-CD2 4.05Å; W1274-L1276 HydrophobicContact CZ3-CG 4.02Å; W1274-R1284 CarbonylContact C-O 3.49Å; W1274-R1284 WeakPolarHBondContact CA-O 3.32Å; W1274-R1284 WeakPolarHBondContact CB-O 3.18Å; W1274-L1285 HydrophobicContact CB-CB 4.12Å; W1274-L1285 HydrophobicContact CB-CD1 4.35Å; W1274-L1285 HydrophobicContact CB-CG 4.26Å
1275	K	73.4	Confident	68.8	Low	48.8 Å²	48.8	63.4 Å²	63.4	21%	0.212	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.5	176	-172.2	-172	179.7	-165.9	0	108.5	S1250 I1251 K1252 N1283 R1284 E1309	S1250-K1275 VanDerWaalsContact OG-CE 3.27Å; S1250-K1275 WeakPolarHBondContact OG-CE 3.33Å; I1251-K1275 CarbonylContact O-C 3.54Å; I1251-K1275 WeakPolarHBondContact O-CA 3.43Å; K1252-K1275 HydrophobicContact CB-CG 4.17Å; K1252-K1275 HydrophobicContact CG-CB 4.19Å; K1252-K1275 HydrophobicContact CG-CG 4.23Å; K1275-N1283 HydrophobicContact CB-CB 4.41Å; K1275-N1283 HydrophobicContact CD-CB 4.35Å; K1275-N1283 HydrophobicContact CG-CB 4.45Å; K1275-N1283 PolarHBondContact NZ-ND2 3.16Å; K1275-N1283 WeakPolarHBondContact O-CB 3.34Å; K1275-N1283 PolarHBondContact O-N 3.01Å; K1275-R1284 HydrophobicContact CB-CB 4.02Å; K1275-R1284 PolarHBondContact N-O 3.08Å; K1275-R1284 PolarHBondContact O-N 2.87Å; K1275-E1309 WeakPolarHBondContact CD-OE2 3.43Å; K1275-E1309 IonicContact NZ-OE1 3.07Å; K1275-E1309 PolarHBondContact NZ-OE1 2.86Å; K1275-E1309 IonicContact NZ-OE2 3.53Å; K1275-E1309 PolarHBondContact NZ-OE2 3.11Å
1276	L	65.7	Low	69.8	Low	38.8 Å²	38.8	64.8 Å²	64.8	20%	0.203	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.1	174.2	-62.8	170.1	0	0	0	110.8	S1250 I1251 W1274 T1281 I1282	S1250-L1276 VanDerWaalsContact CA-O 3.3Å; S1250-L1276 WeakPolarHBondContact CA-O 3.38Å; S1250-L1276 WeakPolarHBondContact CB-O 3.39Å; I1251-L1276 HydrophobicContact CB-CB 4.32Å; I1251-L1276 HydrophobicContact CB-CD1 4.45Å; I1251-L1276 HydrophobicContact CD1-CD1 4.5Å; I1251-L1276 PolarHBondContact N-O 3.16Å; I1251-L1276 PolarHBondContact O-N 3.04Å; W1274-L1276 HydrophobicContact CE3-CD1 4.11Å; W1274-L1276 HydrophobicContact CE3-CD2 4.18Å; W1274-L1276 HydrophobicContact CE3-CG 4.04Å; W1274-L1276 HydrophobicContact CH2-CD1 4.11Å; W1274-L1276 HydrophobicContact CZ3-CD1 3.66Å; W1274-L1276 HydrophobicContact CZ3-CD2 4.05Å; W1274-L1276 HydrophobicContact CZ3-CG 4.02Å; L1276-T1281 CarbonylContact C-O 3.41Å; L1276-T1281 VanDerWaalsContact CA-O 3.3Å; L1276-T1281 WeakPolarHBondContact CA-O 3.41Å; L1276-I1282 HydrophobicContact CD2-CB 4.48Å; L1276-I1282 HydrophobicContact CD2-CG1 4Å
1277	T	62.9	Low	70.4	Confident	38.8 Å²	38.8	62.2 Å²	62.2	24%	0.238	33%	0.325	C	S	.	.			trans	-79.7	170.8	165	65.4	0	0	0	0	111.3	I1279 G1280 T1281 N1283	T1277-I1279 PolarHBondContact O-N 3Å; T1277-I1279 VanDerWaalsContact O-N 3.11Å; T1277-I1279 WeakPolarHBondContact OG1-CG1 3.4Å; T1277-I1279 PolarHBondContact OG1-N 3.04Å; T1277-G1280 PolarHBondContact O-N 3Å; T1277-G1280 PolarHBondContact OG1-N 3.39Å; T1277-T1281 VanDerWaalsContact CG2-OG1 3.28Å; T1277-T1281 WeakPolarHBondContact CG2-OG1 3.28Å; T1277-T1281 PolarHBondContact N-O 3.1Å; T1277-T1281 VanDerWaalsContact N-O 3.15Å; T1277-T1281 PolarHBondContact OG1-N 2.91Å; T1277-T1281 PolarHBondContact OG1-O 2.84Å; T1277-T1281 PolarHBondContact OG1-OG1 3.06Å; T1277-N1283 HydrophobicContact CG2-CB 3.89Å; T1277-N1283 VanDerWaalsContact CG2-CG 3.41Å; T1277-N1283 WeakPolarHBondContact CG2-OD1 3.35Å
1278	D	56	Low	70.8	Confident	96.4 Å²	96.4	60.5 Å²	60.5	52%	0.516	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-29	173.7	-65.3	-23.9	0	0	0	113.9	S1248 R1249 G1280	S1248-D1278 VanDerWaalsContact CA-OD1 3.22Å; S1248-D1278 WeakPolarHBondContact CA-OD1 3.33Å; S1248-D1278 VanDerWaalsContact CA-OD2 3.3Å; S1248-D1278 WeakPolarHBondContact CA-OD2 3.38Å; S1248-D1278 WeakPolarHBondContact CB-OD1 2.89Å; R1249-D1278 WeakPolarHBondContact CA-OD1 3.38Å; R1249-D1278 HydrophobicContact CB-CB 4.2Å; R1249-D1278 WeakPolarHBondContact CB-OD1 3.3Å; R1249-D1278 WeakPolarHBondContact CB-OD2 3.49Å; R1249-D1278 WeakPolarHBondContact CG-OD1 3.45Å; R1249-D1278 WeakPolarHBondContact CG-OD2 3.2Å; R1249-D1278 VanDerWaalsContact N-CG 3.26Å; R1249-D1278 PolarHBondContact N-OD1 2.99Å; R1249-D1278 PolarHBondContact N-OD2 2.9Å; R1249-D1278 PolarHBondContact O-N 2.9Å; D1278-G1280 VanDerWaalsContact C-N 3.32Å
1279	I	54.5	Low	71.1	Confident	153.2 Å²	153.2	59.7 Å²	59.7	79%	0.786	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.5	-178.8	-23.4	174.2	0	0	0	111.7	T1277 T1281	T1277-I1279 PolarHBondContact O-N 3Å; T1277-I1279 VanDerWaalsContact O-N 3.11Å; T1277-I1279 WeakPolarHBondContact OG1-CG1 3.4Å; T1277-I1279 PolarHBondContact OG1-N 3.04Å; I1279-T1281 VanDerWaalsContact C-N 3.33Å; I1279-T1281 PolarHBondContact O-N 2.81Å
1280	G	55.5	Low	71.3	Confident	47.8 Å²	47.8	59.8 Å²	59.8	49%	0.493	32%	0.315	S	S	.	.	S	Bend	trans	81.6	12	-179.1	0	0	0	0	0	114.7	T1277 D1278	T1277-G1280 PolarHBondContact O-N 3Å; T1277-G1280 PolarHBondContact OG1-N 3.39Å; D1278-G1280 VanDerWaalsContact C-N 3.32Å
1281	T	60.7	Low	71.5	Confident	75.4 Å²	75.4	60 Å²	60	46%	0.463	32%	0.316	S	S	.	.			trans	-77.4	140.7	172.3	60.4	0	0	0	0	110.5	L1276 T1277 I1279 N1283	L1276-T1281 CarbonylContact C-O 3.41Å; L1276-T1281 VanDerWaalsContact CA-O 3.3Å; L1276-T1281 WeakPolarHBondContact CA-O 3.41Å; T1277-T1281 VanDerWaalsContact CG2-OG1 3.28Å; T1277-T1281 WeakPolarHBondContact CG2-OG1 3.28Å; T1277-T1281 PolarHBondContact N-O 3.1Å; T1277-T1281 VanDerWaalsContact N-O 3.15Å; T1277-T1281 PolarHBondContact OG1-N 2.91Å; T1277-T1281 PolarHBondContact OG1-O 2.84Å; T1277-T1281 PolarHBondContact OG1-OG1 3.06Å; I1279-T1281 VanDerWaalsContact C-N 3.33Å; I1279-T1281 PolarHBondContact O-N 2.81Å; T1281-N1283 PolarHBondContact O-N 2.97Å; T1281-N1283 VanDerWaalsContact O-N 3.09Å
1282	I	62	Low	71.6	Confident	76.4 Å²	76.4	58.5 Å²	58.5	39%	0.392	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	112.9	173.7	-60.7	174.1	0	0	0	107.4	L1276 R1284 L1285 I1308	L1276-I1282 HydrophobicContact CD2-CB 4.48Å; L1276-I1282 HydrophobicContact CD2-CG1 4Å; I1282-R1284 VanDerWaalsContact CG2-O 3.28Å; I1282-R1284 WeakPolarHBondContact CG2-O 3.37Å; I1282-L1285 HydrophobicContact CD1-CD1 4.32Å; I1282-L1285 HydrophobicContact CG2-CB 3.9Å; I1282-I1308 VanDerWaalsContact O-CD1 3.31Å; I1282-I1308 WeakPolarHBondContact O-CD1 3.22Å
1283	N	71.9	Confident	71.5	Confident	22.4 Å²	22.4	56.6 Å²	56.6	12%	0.12	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-36.3	175.7	-156.6	21	0	0	0	110.7	K1275 T1277 T1281 I1308 E1309	K1275-N1283 HydrophobicContact CB-CB 4.41Å; K1275-N1283 HydrophobicContact CD-CB 4.35Å; K1275-N1283 HydrophobicContact CG-CB 4.45Å; K1275-N1283 PolarHBondContact NZ-ND2 3.16Å; K1275-N1283 WeakPolarHBondContact O-CB 3.34Å; K1275-N1283 PolarHBondContact O-N 3.01Å; T1277-N1283 HydrophobicContact CG2-CB 3.89Å; T1277-N1283 VanDerWaalsContact CG2-CG 3.41Å; T1277-N1283 WeakPolarHBondContact CG2-OD1 3.35Å; T1281-N1283 PolarHBondContact O-N 2.97Å; T1281-N1283 VanDerWaalsContact O-N 3.09Å; N1283-I1308 WeakPolarHBondContact O-CB 3.44Å; N1283-I1308 PolarHBondContact O-N 2.94Å; N1283-E1309 VanDerWaalsContact ND2-CD 3.33Å; N1283-E1309 WeakPolarHBondContact ND2-CG 3.41Å; N1283-E1309 PolarHBondContact ND2-OE1 2.98Å; N1283-E1309 PolarHBondContact ND2-OE2 2.78Å; N1283-E1309 VanDerWaalsContact ND2-OE2 3.09Å; N1283-E1309 VanDerWaalsContact OD1-CG 3.25Å; N1283-E1309 WeakPolarHBondContact OD1-CG 3.31Å
1284	R	75.7	Confident	71.1	Confident	80.8 Å²	80.8	60 Å²	60	31%	0.305	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	137.5	177.9	-174.7	174.5	152.6	154.3	-3	110	E1273 W1274 K1275 I1282 H1286 H1306 D1307	E1273-R1284 IonicContact OE2-CZ 2.94Å; E1273-R1284 IonicContact OE2-NE 2.9Å; E1273-R1284 PolarHBondContact OE2-NE 3.18Å; E1273-R1284 IonicContact OE2-NH1 3.85Å; E1273-R1284 PolarHBondContact OE2-NH1 3.08Å; E1273-R1284 IonicContact OE2-NH2 3.63Å; E1273-R1284 PolarHBondContact OE2-NH2 3.11Å; W1274-R1284 CarbonylContact C-O 3.49Å; W1274-R1284 WeakPolarHBondContact CA-O 3.32Å; W1274-R1284 WeakPolarHBondContact CB-O 3.18Å; K1275-R1284 HydrophobicContact CB-CB 4.02Å; K1275-R1284 PolarHBondContact N-O 3.08Å; K1275-R1284 PolarHBondContact O-N 2.87Å; I1282-R1284 VanDerWaalsContact CG2-O 3.28Å; I1282-R1284 WeakPolarHBondContact CG2-O 3.37Å; R1284-H1286 WeakPolarHBondContact CD-NE2 3.48Å; R1284-H1286 VanDerWaalsContact CG-CD2 3.45Å; R1284-H1286 WeakPolarHBondContact CG-CD2 2.96Å; R1284-H1286 WeakPolarHBondContact CG-NE2 3.48Å; R1284-H1286 PolarHBondContact NE-CD2 2.96Å; R1284-H1286 PolarHBondContact NE-CE1 2.92Å; R1284-H1286 PolarHBondContact NE-NE2 3.48Å; R1284-H1286 PolarHBondContact NH1-CE1 2.83Å; R1284-H1286 PolarHBondContact NH1-ND1 3.46Å; R1284-H1286 PolarHBondContact NH2-CE1 2.88Å; R1284-H1286 VanDerWaalsContact NH2-CE1 3.31Å; R1284-H1286 PolarHBondContact NH2-ND1 2.94Å; R1284-H1306 CarbonylContact C-O 3.42Å; R1284-H1306 VanDerWaalsContact CA-O 3.29Å; R1284-H1306 WeakPolarHBondContact CA-O 3.38Å; R1284-H1306 WeakPolarHBondContact CG-O 3.26Å; R1284-D1307 WeakPolarHBondContact CD-OD2 3.34Å; R1284-D1307 HydrophobicContact CG-CB 4.03Å; R1284-D1307 IonicContact CZ-OD2 3.31Å; R1284-D1307 IonicContact NE-OD2 2.88Å; R1284-D1307 IonicContact NH1-OD2 3.2Å; R1284-D1307 PolarHBondContact NH1-OD2 3.01Å
1285	L	78.3	Confident	70.7	Confident	46.2 Å²	46.2	60.6 Å²	60.6	24%	0.242	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	112.8	170.2	-177.5	133.1	0	0	0	108.2	L1272 E1273 W1274 I1282 L1304 H1306	L1272-L1285 HydrophobicContact CD1-CD1 4.09Å; L1272-L1285 HydrophobicContact CD1-CD2 4.12Å; L1272-L1285 HydrophobicContact CD1-CG 4.29Å; E1273-L1285 CarbonylContact O-C 3.36Å; E1273-L1285 WeakPolarHBondContact O-CA 3.36Å; W1274-L1285 HydrophobicContact CB-CB 4.12Å; W1274-L1285 HydrophobicContact CB-CD1 4.35Å; W1274-L1285 HydrophobicContact CB-CG 4.26Å; I1282-L1285 HydrophobicContact CD1-CD1 4.32Å; I1282-L1285 HydrophobicContact CG2-CB 3.9Å; L1285-L1304 HydrophobicContact CD2-CD2 3.47Å; L1285-L1304 VanDerWaalsContact CD2-CD2 3.49Å; L1285-H1306 CarbonylContact C-O 3.41Å; L1285-H1306 HydrophobicContact CB-CB 4.33Å; L1285-H1306 PolarHBondContact N-O 2.98Å; L1285-H1306 WeakPolarHBondContact O-CB 3.07Å; L1285-H1306 PolarHBondContact O-N 3.01Å; L1285-H1306 VanDerWaalsContact O-O 3.13Å
1286	H	80.6	Confident	70.5	Confident	39.8 Å²	39.8	61.2 Å²	61.2	18%	0.184	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.7	174.9	-106.9	-155.7	0	0	0	108.2	L1272 E1273 R1284 L1304 L1305 H1306 D1307	L1272-H1286 CarbonylContact C-O 3.55Å; L1272-H1286 VanDerWaalsContact CA-O 3.28Å; L1272-H1286 WeakPolarHBondContact CA-O 3.31Å; E1273-H1286 HydrophobicContact CB-CB 4.38Å; E1273-H1286 PolarHBondContact N-O 3.07Å; E1273-H1286 PolarHBondContact O-N 3.03Å; E1273-H1286 VanDerWaalsContact O-O 3.13Å; R1284-H1286 WeakPolarHBondContact CD-NE2 3.48Å; R1284-H1286 VanDerWaalsContact CG-CD2 3.45Å; R1284-H1286 WeakPolarHBondContact CG-CD2 2.96Å; R1284-H1286 WeakPolarHBondContact CG-NE2 3.48Å; R1284-H1286 PolarHBondContact NE-CD2 2.96Å; R1284-H1286 PolarHBondContact NE-CE1 2.92Å; R1284-H1286 PolarHBondContact NE-NE2 3.48Å; R1284-H1286 PolarHBondContact NH1-CE1 2.83Å; R1284-H1286 PolarHBondContact NH1-ND1 3.46Å; R1284-H1286 PolarHBondContact NH2-CE1 2.88Å; R1284-H1286 VanDerWaalsContact NH2-CE1 3.31Å; R1284-H1286 PolarHBondContact NH2-ND1 2.94Å; H1286-L1304 CarbonylContact C-O 3.57Å; H1286-L1304 VanDerWaalsContact CA-O 3.26Å; H1286-L1304 WeakPolarHBondContact CA-O 3.31Å; H1286-L1305 HydrophobicContact CB-CD2 4.07Å; H1286-L1305 WeakPolarHBondContact CD2-CD2 3.36Å; H1286-L1305 WeakPolarHBondContact CE1-CD2 3.48Å; H1286-L1305 VanDerWaalsContact CG-CD2 3.46Å; H1286-L1305 WeakPolarHBondContact ND1-CD2 3.39Å; H1286-L1305 WeakPolarHBondContact NE2-CD2 3.37Å; H1286-H1306 PolarHBondContact CD2-O 2.92Å; H1286-D1307 IonicContact CE1-OD2 2.83Å; H1286-D1307 IonicContact NE2-OD2 3.54Å; H1286-D1307 PolarHBondContact NE2-OD2 2.71Å; H1286-D1307 VanDerWaalsContact NE2-OD2 3.16Å
1287	S	80.4	Confident	70.7	Confident	22 Å²	22	64.3 Å²	64.3	15%	0.154	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.3	170.9	-170.4	0	0	0	0	109.2	E1271 L1303 L1304	E1271-S1287 CarbonylContact O-C 3.58Å; E1271-S1287 WeakPolarHBondContact O-CA 3.3Å; E1271-S1287 PolarHBondContact O-OG 2.89Å; S1287-L1303 CarbonylContact O-C 3.38Å; S1287-L1303 VanDerWaalsContact O-CA 3.28Å; S1287-L1303 WeakPolarHBondContact O-CA 3.2Å; S1287-L1304 PolarHBondContact N-O 3.15Å; S1287-L1304 PolarHBondContact O-N 2.86Å
1288	T	80.5	Confident	71.4	Confident	22.2 Å²	22.2	65.5 Å²	65.5	14%	0.136	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.6	169.8	53.4	0	0	0	0	108.2	N1270 E1271 F1302 L1303	N1270-T1288 CarbonylContact C-O 3.53Å; N1270-T1288 VanDerWaalsContact CA-O 3.23Å; N1270-T1288 WeakPolarHBondContact CA-O 3.22Å; E1271-T1288 VanDerWaalsContact CB-OG1 3.26Å; E1271-T1288 WeakPolarHBondContact CB-OG1 3.19Å; E1271-T1288 VanDerWaalsContact CG-OG1 3.31Å; E1271-T1288 WeakPolarHBondContact CG-OG1 3.4Å; E1271-T1288 PolarHBondContact N-O 3.08Å; E1271-T1288 VanDerWaalsContact N-O 3.09Å; E1271-T1288 PolarHBondContact O-N 2.87Å; E1271-T1288 PolarHBondContact O-OG1 2.93Å; E1271-T1288 PolarHBondContact OE2-OG1 2.78Å; E1271-T1288 VanDerWaalsContact OE2-OG1 3.05Å; T1288-F1302 CarbonylContact C-O 3.54Å; T1288-F1302 WeakPolarHBondContact CA-O 3.36Å; T1288-L1303 HydrophobicContact CG2-CB 4.5Å; T1288-L1303 HydrophobicContact CG2-CD1 3.92Å; T1288-L1303 HydrophobicContact CG2-CD2 3.87Å; T1288-L1303 HydrophobicContact CG2-CG 4.29Å
1289	T	79.8	Confident	72.6	Confident	31 Å²	31	62.2 Å²	62.2	19%	0.19	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	105.9	172.4	61.5	0	0	0	0	108.5	N1269 N1270 K1301 F1302	N1269-T1289 CarbonylContact O-C 3.41Å; N1269-T1289 WeakPolarHBondContact O-CA 3.28Å; N1270-T1289 HydrophobicContact CB-CG2 4.13Å; N1270-T1289 WeakPolarHBondContact ND2-CG2 3.44Å; N1270-T1289 WeakPolarHBondContact OD1-CB 3.33Å; N1270-T1289 VanDerWaalsContact OD1-CG2 3.25Å; N1270-T1289 WeakPolarHBondContact OD1-CG2 3.43Å; T1289-K1301 WeakPolarHBondContact O-CA 3.4Å; T1289-F1302 PolarHBondContact N-O 2.78Å; T1289-F1302 VanDerWaalsContact N-O 3.14Å; T1289-F1302 PolarHBondContact O-N 2.94Å; T1289-F1302 WeakPolarHBondContact OG1-CB 3.27Å; T1289-F1302 WeakPolarHBondContact OG1-CD2 2.96Å; T1289-F1302 PolarHBondContact OG1-O 3.29Å
1290	D	79.3	Confident	73.8	Confident	61.2 Å²	61.2	57.6 Å²	57.6	33%	0.327	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.4	178.8	-69.3	-17.4	0	0	0	108.8	L1268 N1269 K1301	L1268-D1290 WeakPolarHBondContact CA-O 3.46Å; N1269-D1290 HydrophobicContact CB-CB 4.45Å; N1269-D1290 PolarHBondContact N-O 2.99Å; N1269-D1290 VanDerWaalsContact N-O 3.15Å; N1269-D1290 PolarHBondContact O-N 3.08Å; D1290-K1301 WeakPolarHBondContact OD1-CB 3.29Å; D1290-K1301 WeakPolarHBondContact OD1-CD 3.15Å; D1290-K1301 VanDerWaalsContact OD1-CG 3.24Å; D1290-K1301 WeakPolarHBondContact OD1-CG 3.31Å; D1290-K1301 IonicContact OD1-NZ 3.17Å; D1290-K1301 PolarHBondContact OD1-NZ 2.98Å; D1290-K1301 IonicContact OD2-NZ 3.76Å; D1290-K1301 PolarHBondContact OD2-NZ 2.78Å
1291	I	79.2	Confident	75.1	Confident	52 Å²	52	58.4 Å²	58.4	27%	0.267	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.9	174.9	-53.4	177.1	0	0	0	107.2	F1266 I1267 L1268 S1299 I1300 F1302	F1266-I1291 HydrophobicContact CD1-CG2 4.2Å; F1266-I1291 HydrophobicContact CD2-CG2 4.38Å; F1266-I1291 HydrophobicContact CE2-CG2 3.44Å; F1266-I1291 VanDerWaalsContact CE2-CG2 3.43Å; F1266-I1291 HydrophobicContact CZ-CG2 3.78Å; I1267-I1291 CarbonylContact O-C 3.33Å; I1267-I1291 WeakPolarHBondContact O-CA 3.3Å; L1268-I1291 HydrophobicContact CD1-CD1 4.1Å; L1268-I1291 HydrophobicContact CD1-CG1 4.1Å; L1268-I1291 HydrophobicContact CG-CG1 4.24Å; I1291-S1299 CarbonylContact O-C 3.4Å; I1291-S1299 VanDerWaalsContact O-CA 3.25Å; I1291-S1299 WeakPolarHBondContact O-CA 3.29Å; I1291-S1299 WeakPolarHBondContact O-CB 3.4Å; I1291-I1300 HydrophobicContact CB-CB 4.36Å; I1291-I1300 PolarHBondContact N-O 2.94Å; I1291-I1300 PolarHBondContact O-N 2.97Å; I1291-F1302 HydrophobicContact CD1-CE2 4.36Å
1292	Y	77.9	Confident	76	Confident	77.4 Å²	77.4	58.2 Å²	58.2	30%	0.304	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.3	178.3	175.9	-100.5	0	0	0	110.7	F1266 I1267 K1294	F1266-Y1292 CarbonylContact C-O 3.4Å; F1266-Y1292 VanDerWaalsContact CA-O 3.26Å; F1266-Y1292 WeakPolarHBondContact CA-O 3.35Å; I1267-Y1292 HydrophobicContact CD1-CD1 4.25Å; I1267-Y1292 HydrophobicContact CG1-CD1 4.44Å; I1267-Y1292 PolarHBondContact N-O 2.88Å; I1267-Y1292 PolarHBondContact O-N 2.81Å; Y1292-K1294 HydrophobicContact CD1-CB 4.41Å; Y1292-K1294 HydrophobicContact CD1-CG 4.18Å; Y1292-K1294 HydrophobicContact CE1-CB 3.83Å; Y1292-K1294 HydrophobicContact CE1-CG 3.91Å
1293	S	76.4	Confident	76.9	Confident	16.2 Å²	16.2	56 Å²	56	11%	0.113	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	105.4	175.3	175.9	0	0	0	0	109.7	G1265 F1266 S1295 T1296 K1297 E1298	G1265-S1293 CarbonylContact O-C 3.57Å; G1265-S1293 WeakPolarHBondContact O-CA 3.45Å; F1266-S1293 VanDerWaalsContact CE1-CB 3.49Å; S1293-S1295 VanDerWaalsContact C-N 3.28Å; S1293-S1295 PolarHBondContact O-N 3Å; S1293-S1295 PolarHBondContact OG-OG 2.99Å; S1293-S1295 VanDerWaalsContact OG-OG 3.12Å; S1293-T1296 VanDerWaalsContact CB-OG1 3.26Å; S1293-T1296 WeakPolarHBondContact CB-OG1 3.35Å; S1293-T1296 PolarHBondContact O-N 3.27Å; S1293-T1296 PolarHBondContact OG-N 3.16Å; S1293-T1296 PolarHBondContact OG-OG1 3.04Å; S1293-K1297 VanDerWaalsContact O-CA 3.28Å; S1293-K1297 WeakPolarHBondContact O-CA 3.37Å; S1293-K1297 PolarHBondContact O-N 3Å; S1293-E1298 PolarHBondContact N-O 2.97Å; S1293-E1298 VanDerWaalsContact N-O 3.12Å; S1293-E1298 PolarHBondContact O-N 2.85Å
1294	K	67.5	Low	77.2	Confident	140.8 Å²	140.8	58 Å²	58	61%	0.612	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.7	178.3	-144.8	177.1	-176	179.7	0	112.7	G1265 Y1292	G1265-K1294 WeakPolarHBondContact O-CB 3.23Å; G1265-K1294 PolarHBondContact O-N 3.02Å; Y1292-K1294 HydrophobicContact CD1-CB 4.41Å; Y1292-K1294 HydrophobicContact CD1-CG 4.18Å; Y1292-K1294 HydrophobicContact CE1-CB 3.83Å; Y1292-K1294 HydrophobicContact CE1-CG 3.91Å
1295	S	66.6	Low	77.4	Confident	85.4 Å²	85.4	56.3 Å²	56.3	60%	0.597	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-35.3	-178.2	52.5	0	0	0	0	112.7	I1264 S1293	I1264-S1295 WeakPolarHBondContact O-CB 3.4Å; I1264-S1295 PolarHBondContact O-OG 2.8Å; S1293-S1295 VanDerWaalsContact C-N 3.28Å; S1293-S1295 PolarHBondContact O-N 3Å; S1293-S1295 PolarHBondContact OG-OG 2.99Å; S1293-S1295 VanDerWaalsContact OG-OG 3.12Å
1296	T	69.2	Low	77.2	Confident	60.8 Å²	60.8	56.5 Å²	56.5	37%	0.373	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-12.5	177.9	56.5	0	0	0	0	113.7	S1293 E1298	S1293-T1296 VanDerWaalsContact CB-OG1 3.26Å; S1293-T1296 WeakPolarHBondContact CB-OG1 3.35Å; S1293-T1296 PolarHBondContact O-N 3.27Å; S1293-T1296 PolarHBondContact OG-N 3.16Å; S1293-T1296 PolarHBondContact OG-OG1 3.04Å; T1296-E1298 VanDerWaalsContact C-N 3.28Å; T1296-E1298 WeakPolarHBondContact CB-OE1 3.32Å; T1296-E1298 VanDerWaalsContact CB-OE2 3.28Å; T1296-E1298 WeakPolarHBondContact CB-OE2 3.32Å; T1296-E1298 PolarHBondContact O-N 2.88Å; T1296-E1298 WeakPolarHBondContact OG1-CB 3.39Å; T1296-E1298 VanDerWaalsContact OG1-CD 3.31Å; T1296-E1298 WeakPolarHBondContact OG1-CG 2.9Å; T1296-E1298 PolarHBondContact OG1-OE2 3.17Å
1297	K	70.5	Confident	76.9	Confident	104.8 Å²	104.8	55.3 Å²	55.3	46%	0.456	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	31.5	-167.8	-59.5	-175.3	178.2	-175.9	0	113.5	S1293 E1323 Y1324	S1293-K1297 VanDerWaalsContact O-CA 3.28Å; S1293-K1297 WeakPolarHBondContact O-CA 3.37Å; S1293-K1297 PolarHBondContact O-N 3Å; K1297-E1323 HydrophobicContact CB-CB 4.09Å; K1297-E1323 HydrophobicContact CB-CG 4.26Å; K1297-E1323 HydrophobicContact CD-CB 4.38Å; K1297-E1323 HydrophobicContact CD-CG 4.05Å; K1297-E1323 WeakPolarHBondContact CD-OE1 3.34Å; K1297-E1323 WeakPolarHBondContact CE-OE1 3.43Å; K1297-E1323 IonicContact NZ-OE1 3.32Å; K1297-E1323 PolarHBondContact NZ-OE1 3.31Å; K1297-E1323 WeakPolarHBondContact O-CB 3.45Å; K1297-E1323 PolarHBondContact O-N 3.06Å; K1297-Y1324 HydrophobicContact CB-CD2 4.06Å; K1297-Y1324 HydrophobicContact CB-CE2 4.25Å; K1297-Y1324 HydrophobicContact CD-CD2 4.33Å; K1297-Y1324 HydrophobicContact CD-CE2 3.77Å; K1297-Y1324 HydrophobicContact CG-CD2 4.37Å; K1297-Y1324 HydrophobicContact CG-CE2 4.06Å
1298	E	76.8	Confident	76.2	Confident	62.4 Å²	62.4	58.4 Å²	58.4	29%	0.292	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.5	175.3	-64.4	164.8	162.2	0	0	109.7	S1293 T1296 Y1320 N1321 D1322	S1293-E1298 PolarHBondContact N-O 2.97Å; S1293-E1298 VanDerWaalsContact N-O 3.12Å; S1293-E1298 PolarHBondContact O-N 2.85Å; T1296-E1298 VanDerWaalsContact C-N 3.28Å; T1296-E1298 WeakPolarHBondContact CB-OE1 3.32Å; T1296-E1298 VanDerWaalsContact CB-OE2 3.28Å; T1296-E1298 WeakPolarHBondContact CB-OE2 3.32Å; T1296-E1298 PolarHBondContact O-N 2.88Å; T1296-E1298 WeakPolarHBondContact OG1-CB 3.39Å; T1296-E1298 VanDerWaalsContact OG1-CD 3.31Å; T1296-E1298 WeakPolarHBondContact OG1-CG 2.9Å; T1296-E1298 PolarHBondContact OG1-OE2 3.17Å; E1298-Y1320 HydrophobicContact CB-CE2 4.13Å; E1298-Y1320 VanDerWaalsContact CD-OH 3.22Å; E1298-Y1320 HydrophobicContact CG-CE2 4.09Å; E1298-Y1320 WeakPolarHBondContact CG-OH 3.26Å; E1298-Y1320 PolarHBondContact OE1-OH 3.16Å; E1298-Y1320 VanDerWaalsContact OE1-OH 3.1Å; E1298-Y1320 WeakPolarHBondContact OE2-CE2 3.44Å; E1298-Y1320 PolarHBondContact OE2-OH 2.96Å; E1298-N1321 CarbonylContact C-O 3.47Å; E1298-N1321 VanDerWaalsContact CA-O 3.32Å; E1298-N1321 WeakPolarHBondContact CA-O 3.31Å; E1298-D1322 HydrophobicContact CG-CB 4.37Å
1299	S	80.6	Confident	75.5	Confident	28.4 Å²	28.4	62.7 Å²	62.7	20%	0.199	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.3	170.6	54.6	0	0	0	0	111.3	I1291 Y1320 N1321	I1291-S1299 CarbonylContact O-C 3.4Å; I1291-S1299 VanDerWaalsContact O-CA 3.25Å; I1291-S1299 WeakPolarHBondContact O-CA 3.29Å; I1291-S1299 WeakPolarHBondContact O-CB 3.4Å; S1299-Y1320 CarbonylContact O-C 3.46Å; S1299-Y1320 WeakPolarHBondContact O-CA 3.29Å; S1299-Y1320 WeakPolarHBondContact O-CD2 3.43Å; S1299-N1321 PolarHBondContact N-O 3.16Å; S1299-N1321 PolarHBondContact O-N 3.24Å; S1299-N1321 WeakPolarHBondContact OG-CB 3.37Å; S1299-N1321 PolarHBondContact OG-ND2 2.79Å; S1299-N1321 PolarHBondContact OG-O 2.94Å
1300	I	80.3	Confident	74.8	Confident	55.6 Å²	55.6	66.1 Å²	66.1	29%	0.285	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.5	170	-59.6	169.2	0	0	0	107	I1291 F1302 M1318 E1319 Y1320	I1291-I1300 HydrophobicContact CB-CB 4.36Å; I1291-I1300 PolarHBondContact N-O 2.94Å; I1291-I1300 PolarHBondContact O-N 2.97Å; I1300-F1302 HydrophobicContact CB-CE2 4.28Å; I1300-F1302 HydrophobicContact CG2-CD2 3.72Å; I1300-F1302 HydrophobicContact CG2-CE2 3.59Å; I1300-F1302 HydrophobicContact CG2-CZ 4.03Å; I1300-M1318 HydrophobicContact CD1-CE 4.44Å; I1300-M1318 HydrophobicContact CG2-CE 3.97Å; I1300-M1318 HydrophobicContact CG2-CG 4.23Å; I1300-M1318 HydrophobicContact CG2-SD 4.5Å; I1300-E1319 CarbonylContact C-O 3.52Å; I1300-E1319 WeakPolarHBondContact CA-O 3.32Å; I1300-Y1320 HydrophobicContact CD1-CD2 4.31Å; I1300-Y1320 HydrophobicContact CG1-CD2 3.79Å; I1300-Y1320 HydrophobicContact CG1-CE2 4.41Å
1301	K	82.8	Confident	73.8	Confident	65.6 Å²	65.6	68.9 Å²	68.9	29%	0.285	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121	171.9	173.3	165.2	-158.6	144.2	0	109.1	T1289 D1290 L1303 L1317 M1318 E1319	T1289-K1301 WeakPolarHBondContact O-CA 3.4Å; D1290-K1301 WeakPolarHBondContact OD1-CB 3.29Å; D1290-K1301 WeakPolarHBondContact OD1-CD 3.15Å; D1290-K1301 VanDerWaalsContact OD1-CG 3.24Å; D1290-K1301 WeakPolarHBondContact OD1-CG 3.31Å; D1290-K1301 IonicContact OD1-NZ 3.17Å; D1290-K1301 PolarHBondContact OD1-NZ 2.98Å; D1290-K1301 IonicContact OD2-NZ 3.76Å; D1290-K1301 PolarHBondContact OD2-NZ 2.78Å; K1301-L1303 HydrophobicContact CD-CD1 4.14Å; K1301-L1303 HydrophobicContact CG-CD1 4.12Å; K1301-L1303 HydrophobicContact CG-CG 4.29Å; K1301-L1317 HydrophobicContact CG-CD2 4.19Å; K1301-M1318 CarbonylContact O-C 3.54Å; K1301-M1318 VanDerWaalsContact O-CA 3.25Å; K1301-M1318 WeakPolarHBondContact O-CA 3.39Å; K1301-E1319 HydrophobicContact CB-CB 4.28Å; K1301-E1319 PolarHBondContact N-O 2.88Å; K1301-E1319 PolarHBondContact O-N 3.08Å
1302	F	79.8	Confident	72.7	Confident	70.6 Å²	70.6	68.3 Å²	68.3	31%	0.31	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.1	170.3	-120.9	-89.3	0	0	0	109.5	T1288 T1289 I1291 I1300 L1304 I1316 L1317 M1318	T1288-F1302 CarbonylContact C-O 3.54Å; T1288-F1302 WeakPolarHBondContact CA-O 3.36Å; T1289-F1302 PolarHBondContact N-O 2.78Å; T1289-F1302 VanDerWaalsContact N-O 3.14Å; T1289-F1302 PolarHBondContact O-N 2.94Å; T1289-F1302 WeakPolarHBondContact OG1-CB 3.27Å; T1289-F1302 WeakPolarHBondContact OG1-CD2 2.96Å; T1289-F1302 PolarHBondContact OG1-O 3.29Å; I1291-F1302 HydrophobicContact CD1-CE2 4.36Å; I1300-F1302 HydrophobicContact CB-CE2 4.28Å; I1300-F1302 HydrophobicContact CG2-CD2 3.72Å; I1300-F1302 HydrophobicContact CG2-CE2 3.59Å; I1300-F1302 HydrophobicContact CG2-CZ 4.03Å; F1302-L1304 HydrophobicContact CE1-CB 4.06Å; F1302-L1304 HydrophobicContact CE1-CD1 4.04Å; F1302-L1304 HydrophobicContact CE1-CD2 4.16Å; F1302-L1304 HydrophobicContact CE1-CG 3.64Å; F1302-L1304 HydrophobicContact CE2-CD2 4.3Å; F1302-L1304 HydrophobicContact CZ-CD1 4.14Å; F1302-L1304 HydrophobicContact CZ-CD2 3.64Å; F1302-L1304 HydrophobicContact CZ-CG 3.67Å; F1302-I1316 HydrophobicContact CD1-CG2 4.48Å; F1302-I1316 HydrophobicContact CE1-CG2 4.29Å; F1302-I1316 HydrophobicContact CE2-CG2 3.78Å; F1302-I1316 HydrophobicContact CZ-CG2 4.21Å; F1302-L1317 CarbonylContact C-O 3.47Å; F1302-L1317 VanDerWaalsContact CA-O 3.24Å; F1302-L1317 WeakPolarHBondContact CA-O 3.29Å; F1302-M1318 HydrophobicContact CD1-CB 4.05Å; F1302-M1318 HydrophobicContact CD1-CG 4.07Å; F1302-M1318 HydrophobicContact CD1-SD 4.21Å; F1302-M1318 HydrophobicContact CD2-CB 4.17Å; F1302-M1318 HydrophobicContact CD2-CE 3.71Å; F1302-M1318 HydrophobicContact CD2-CG 4.29Å; F1302-M1318 HydrophobicContact CD2-SD 4.39Å; F1302-M1318 HydrophobicContact CE1-CB 3.93Å; F1302-M1318 HydrophobicContact CE1-CE 3.87Å; F1302-M1318 HydrophobicContact CE1-CG 3.72Å; F1302-M1318 HydrophobicContact CE1-SD 3.81Å; F1302-M1318 WeakPolarHBondContact CE1-SD 3.22Å; F1302-M1318 HydrophobicContact CE2-CB 4.39Å; F1302-M1318 HydrophobicContact CE2-CE 4.25Å; F1302-M1318 HydrophobicContact CE2-CG 4Å; F1302-M1318 HydrophobicContact CE2-SD 3.96Å; F1302-M1318 WeakPolarHBondContact CE2-SD 3.29Å; F1302-M1318 HydrophobicContact CG-CG 4.4Å; F1302-M1318 HydrophobicContact CZ-CB 4.22Å; F1302-M1318 HydrophobicContact CZ-CE 3.8Å; F1302-M1318 HydrophobicContact CZ-CG 3.84Å; F1302-M1318 HydrophobicContact CZ-SD 3.64Å; F1302-M1318 VanDerWaalsContact CZ-SD 3.51Å; F1302-M1318 WeakPolarHBondContact CZ-SD 3.38Å
1303	L	80.6	Confident	71.8	Confident	30.2 Å²	30.2	68.4 Å²	68.4	16%	0.158	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	113.5	-175.8	-134.9	149.8	0	0	0	108.8	S1287 T1288 K1301 L1305 I1316 L1317	S1287-L1303 CarbonylContact O-C 3.38Å; S1287-L1303 VanDerWaalsContact O-CA 3.28Å; S1287-L1303 WeakPolarHBondContact O-CA 3.2Å; T1288-L1303 HydrophobicContact CG2-CB 4.5Å; T1288-L1303 HydrophobicContact CG2-CD1 3.92Å; T1288-L1303 HydrophobicContact CG2-CD2 3.87Å; T1288-L1303 HydrophobicContact CG2-CG 4.29Å; K1301-L1303 HydrophobicContact CD-CD1 4.14Å; K1301-L1303 HydrophobicContact CG-CD1 4.12Å; K1301-L1303 HydrophobicContact CG-CG 4.29Å; L1303-L1305 HydrophobicContact CD2-CD1 3.84Å; L1303-L1305 HydrophobicContact CD2-CD2 4Å; L1303-L1305 HydrophobicContact CD2-CG 3.61Å; L1303-L1305 HydrophobicContact CG-CD2 4.22Å; L1303-L1305 HydrophobicContact CG-CG 4.25Å; L1303-I1316 CarbonylContact O-C 3.53Å; L1303-I1316 WeakPolarHBondContact O-CA 3.32Å; L1303-L1317 HydrophobicContact CB-CB 4.13Å; L1303-L1317 HydrophobicContact CB-CD2 3.99Å; L1303-L1317 HydrophobicContact CD1-CD2 4.22Å; L1303-L1317 HydrophobicContact CD2-CB 4.01Å; L1303-L1317 PolarHBondContact N-O 2.96Å; L1303-L1317 PolarHBondContact O-N 2.94Å
1304	L	78.3	Confident	71.2	Confident	64 Å²	64	69.7 Å²	69.7	34%	0.335	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.5	172.4	-128.4	154.5	0	0	0	108.7	L1285 H1286 S1287 F1302 S1315 I1316	L1285-L1304 HydrophobicContact CD2-CD2 3.47Å; L1285-L1304 VanDerWaalsContact CD2-CD2 3.49Å; H1286-L1304 CarbonylContact C-O 3.57Å; H1286-L1304 VanDerWaalsContact CA-O 3.26Å; H1286-L1304 WeakPolarHBondContact CA-O 3.31Å; S1287-L1304 PolarHBondContact N-O 3.15Å; S1287-L1304 PolarHBondContact O-N 2.86Å; F1302-L1304 HydrophobicContact CE1-CB 4.06Å; F1302-L1304 HydrophobicContact CE1-CD1 4.04Å; F1302-L1304 HydrophobicContact CE1-CD2 4.16Å; F1302-L1304 HydrophobicContact CE1-CG 3.64Å; F1302-L1304 HydrophobicContact CE2-CD2 4.3Å; F1302-L1304 HydrophobicContact CZ-CD1 4.14Å; F1302-L1304 HydrophobicContact CZ-CD2 3.64Å; F1302-L1304 HydrophobicContact CZ-CG 3.67Å; L1304-S1315 CarbonylContact C-O 3.32Å; L1304-S1315 VanDerWaalsContact CA-O 3.31Å; L1304-S1315 WeakPolarHBondContact CA-O 3.22Å; L1304-I1316 HydrophobicContact CD1-CG1 4.34Å; L1304-I1316 HydrophobicContact CD2-CB 4.03Å; L1304-I1316 HydrophobicContact CD2-CD1 4Å; L1304-I1316 HydrophobicContact CD2-CG1 3.61Å; L1304-I1316 HydrophobicContact CD2-CG2 3.77Å; L1304-I1316 HydrophobicContact CG-CG1 4.48Å
1305	L	79.5	Confident	71.5	Confident	46.6 Å²	46.6	63.6 Å²	63.6	24%	0.244	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.5	176.5	-61.5	168.1	0	0	0	109.7	H1286 L1303 L1312 S1314 S1315	H1286-L1305 HydrophobicContact CB-CD2 4.07Å; H1286-L1305 WeakPolarHBondContact CD2-CD2 3.36Å; H1286-L1305 WeakPolarHBondContact CE1-CD2 3.48Å; H1286-L1305 VanDerWaalsContact CG-CD2 3.46Å; H1286-L1305 WeakPolarHBondContact ND1-CD2 3.39Å; H1286-L1305 WeakPolarHBondContact NE2-CD2 3.37Å; L1303-L1305 HydrophobicContact CD2-CD1 3.84Å; L1303-L1305 HydrophobicContact CD2-CD2 4Å; L1303-L1305 HydrophobicContact CD2-CG 3.61Å; L1303-L1305 HydrophobicContact CG-CD2 4.22Å; L1303-L1305 HydrophobicContact CG-CG 4.25Å; L1305-L1312 HydrophobicContact CB-CD2 4.02Å; L1305-L1312 VanDerWaalsContact O-CD2 3.28Å; L1305-L1312 WeakPolarHBondContact O-CD2 3.44Å; L1305-S1314 CarbonylContact O-C 3.42Å; L1305-S1314 VanDerWaalsContact O-CA 3.25Å; L1305-S1314 WeakPolarHBondContact O-CA 3.36Å; L1305-S1314 PolarHBondContact O-N 2.92Å; L1305-S1314 PolarHBondContact O-OG 2.8Å; L1305-S1315 VanDerWaalsContact CB-OG 3.29Å; L1305-S1315 WeakPolarHBondContact CB-OG 3.39Å; L1305-S1315 WeakPolarHBondContact CD1-OG 3.47Å; L1305-S1315 WeakPolarHBondContact CG-OG 3.36Å; L1305-S1315 PolarHBondContact N-O 3.02Å; L1305-S1315 VanDerWaalsContact N-O 3.16Å; L1305-S1315 PolarHBondContact O-N 2.98Å; L1305-S1315 VanDerWaalsContact O-N 3.12Å
1306	H	75.3	Confident	72	Confident	50 Å²	50	63.2 Å²	63.2	23%	0.231	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.4	166.6	-179.2	75.6	0	0	0	107.6	R1284 L1285 H1286 I1308 L1312 L1313	R1284-H1306 CarbonylContact C-O 3.42Å; R1284-H1306 VanDerWaalsContact CA-O 3.29Å; R1284-H1306 WeakPolarHBondContact CA-O 3.38Å; R1284-H1306 WeakPolarHBondContact CG-O 3.26Å; L1285-H1306 CarbonylContact C-O 3.41Å; L1285-H1306 HydrophobicContact CB-CB 4.33Å; L1285-H1306 PolarHBondContact N-O 2.98Å; L1285-H1306 WeakPolarHBondContact O-CB 3.07Å; L1285-H1306 PolarHBondContact O-N 3.01Å; L1285-H1306 VanDerWaalsContact O-O 3.13Å; H1286-H1306 PolarHBondContact CD2-O 2.92Å; H1306-I1308 WeakPolarHBondContact NE2-CG1 3.24Å; H1306-L1312 CarbonylContact C-O 3.5Å; H1306-L1312 WeakPolarHBondContact CA-O 3.35Å; H1306-L1312 PolarHBondContact ND1-O 3.34Å; H1306-L1313 PolarHBondContact CE1-O 3.1Å; H1306-L1313 PolarHBondContact ND1-O 3.2Å
1307	D	74.6	Confident	72.5	Confident	14.4 Å²	14.4	61.7 Å²	61.7	8%	0.077	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	98.3	-176.5	-166.9	-17.1	0	0	0	109.9	R1284 H1286 E1309 N1310 Q1311 L1312 S1314	R1284-D1307 WeakPolarHBondContact CD-OD2 3.34Å; R1284-D1307 HydrophobicContact CG-CB 4.03Å; R1284-D1307 IonicContact CZ-OD2 3.31Å; R1284-D1307 IonicContact NE-OD2 2.88Å; R1284-D1307 IonicContact NH1-OD2 3.2Å; R1284-D1307 PolarHBondContact NH1-OD2 3.01Å; H1286-D1307 IonicContact CE1-OD2 2.83Å; H1286-D1307 IonicContact NE2-OD2 3.54Å; H1286-D1307 PolarHBondContact NE2-OD2 2.71Å; H1286-D1307 VanDerWaalsContact NE2-OD2 3.16Å; D1307-E1309 VanDerWaalsContact C-N 3.29Å; D1307-E1309 PolarHBondContact O-N 2.87Å; D1307-E1309 WeakPolarHBondContact OD1-CB 3.43Å; D1307-E1309 PolarHBondContact OD1-N 3.38Å; D1307-E1309 VanDerWaalsContact OD1-N 3.1Å; D1307-N1310 HydrophobicContact CB-CB 4.26Å; D1307-N1310 VanDerWaalsContact CG-ND2 3.34Å; D1307-N1310 CarbonylContact O-C 3.45Å; D1307-N1310 PolarHBondContact O-N 2.91Å; D1307-N1310 PolarHBondContact OD1-N 3.17Å; D1307-N1310 PolarHBondContact OD2-ND2 3.05Å; D1307-Q1311 PolarHBondContact O-N 3.04Å; D1307-Q1311 VanDerWaalsContact O-N 3.13Å; D1307-L1312 CarbonylContact C-O 3.54Å; D1307-L1312 HydrophobicContact CB-CB 4.32Å; D1307-L1312 PolarHBondContact N-O 3.24Å; D1307-L1312 VanDerWaalsContact N-O 3.14Å; D1307-L1312 CarbonylContact O-C 3.5Å; D1307-L1312 WeakPolarHBondContact O-CA 3.34Å; D1307-L1312 WeakPolarHBondContact O-CB 3.38Å; D1307-L1312 PolarHBondContact O-N 3.13Å; D1307-L1312 VanDerWaalsContact O-N 3.08Å; D1307-S1314 PolarHBondContact N-OG 2.72Å
1308	I	65.6	Low	73	Confident	87.2 Å²	87.2	59.8 Å²	59.8	45%	0.447	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.8	-177.6	-61.3	175.6	0	0	0	110.5	I1282 N1283 H1306 N1310 Q1311 L1313	I1282-I1308 VanDerWaalsContact O-CD1 3.31Å; I1282-I1308 WeakPolarHBondContact O-CD1 3.22Å; N1283-I1308 WeakPolarHBondContact O-CB 3.44Å; N1283-I1308 PolarHBondContact O-N 2.94Å; H1306-I1308 WeakPolarHBondContact NE2-CG1 3.24Å; I1308-N1310 PolarHBondContact O-N 3Å; I1308-N1310 VanDerWaalsContact O-N 3.16Å; I1308-Q1311 PolarHBondContact O-N 3.15Å; I1308-Q1311 VanDerWaalsContact O-N 3.11Å; I1308-L1313 HydrophobicContact CG1-CD2 4.4Å
1309	E	66	Low	73.1	Confident	112.2 Å²	112.2	58.8 Å²	58.8	52%	0.524	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-35.3	178.7	-68.7	-179	167.1	0	0	111.2	K1275 N1283 D1307 Q1311	K1275-E1309 WeakPolarHBondContact CD-OE2 3.43Å; K1275-E1309 IonicContact NZ-OE1 3.07Å; K1275-E1309 PolarHBondContact NZ-OE1 2.86Å; K1275-E1309 IonicContact NZ-OE2 3.53Å; K1275-E1309 PolarHBondContact NZ-OE2 3.11Å; N1283-E1309 VanDerWaalsContact ND2-CD 3.33Å; N1283-E1309 WeakPolarHBondContact ND2-CG 3.41Å; N1283-E1309 PolarHBondContact ND2-OE1 2.98Å; N1283-E1309 PolarHBondContact ND2-OE2 2.78Å; N1283-E1309 VanDerWaalsContact ND2-OE2 3.09Å; N1283-E1309 VanDerWaalsContact OD1-CG 3.25Å; N1283-E1309 WeakPolarHBondContact OD1-CG 3.31Å; D1307-E1309 VanDerWaalsContact C-N 3.29Å; D1307-E1309 PolarHBondContact O-N 2.87Å; D1307-E1309 WeakPolarHBondContact OD1-CB 3.43Å; D1307-E1309 PolarHBondContact OD1-N 3.38Å; D1307-E1309 VanDerWaalsContact OD1-N 3.1Å; E1309-Q1311 PolarHBondContact O-N 2.67Å
1310	N	63.1	Low	73.1	Confident	102.6 Å²	102.6	60.3 Å²	60.3	55%	0.549	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	13.3	176.6	-69.9	-50.8	0	0	0	114.2	D1307 I1308 L1312 W1334	D1307-N1310 HydrophobicContact CB-CB 4.26Å; D1307-N1310 VanDerWaalsContact CG-ND2 3.34Å; D1307-N1310 CarbonylContact O-C 3.45Å; D1307-N1310 PolarHBondContact O-N 2.91Å; D1307-N1310 PolarHBondContact OD1-N 3.17Å; D1307-N1310 PolarHBondContact OD2-ND2 3.05Å; I1308-N1310 PolarHBondContact O-N 3Å; I1308-N1310 VanDerWaalsContact O-N 3.16Å; N1310-L1312 VanDerWaalsContact C-N 3.27Å; N1310-L1312 HydrophobicContact CB-CB 4.27Å; N1310-L1312 HydrophobicContact CB-CD1 3.49Å; N1310-L1312 VanDerWaalsContact CB-CD1 3.49Å; N1310-L1312 HydrophobicContact CB-CG 3.73Å; N1310-L1312 PolarHBondContact O-N 3.01Å; N1310-L1312 VanDerWaalsContact O-N 3.13Å; N1310-W1334 PolarHBondContact O-NE1 2.91Å
1311	Q	58.3	Low	73	Confident	119.4 Å²	119.4	59.9 Å²	59.9	56%	0.558	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	23.9	-178	-59.7	174.3	4.6	0	0	114.8	D1307 I1308 E1309 L1313 W1334 L1335 P1337 W1338	D1307-Q1311 PolarHBondContact O-N 3.04Å; D1307-Q1311 VanDerWaalsContact O-N 3.13Å; I1308-Q1311 PolarHBondContact O-N 3.15Å; I1308-Q1311 VanDerWaalsContact O-N 3.11Å; E1309-Q1311 PolarHBondContact O-N 2.67Å; Q1311-L1313 PolarHBondContact O-N 3.4Å; Q1311-L1313 VanDerWaalsContact O-N 3.12Å; Q1311-W1334 PolarHBondContact O-NE1 2.84Å; Q1311-L1335 WeakPolarHBondContact CB-O 3.33Å; Q1311-P1337 WeakPolarHBondContact O-CD 3.24Å; Q1311-W1338 HydrophobicContact CB-CB 4.3Å; Q1311-W1338 HydrophobicContact CG-CB 4.33Å; Q1311-W1338 HydrophobicContact CG-CG 4.28Å; Q1311-W1338 HydrophobicContact CG-CZ3 4.35Å; Q1311-W1338 VanDerWaalsContact OE1-CZ3 3.31Å
1312	L	58.1	Low	72.6	Confident	39.8 Å²	39.8	58.2 Å²	58.2	21%	0.208	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	93.7	-176.7	-127.4	149.1	0	0	0	109.7	L1305 H1306 D1307 N1310 S1314 W1334 L1335 P1337	L1305-L1312 HydrophobicContact CB-CD2 4.02Å; L1305-L1312 VanDerWaalsContact O-CD2 3.28Å; L1305-L1312 WeakPolarHBondContact O-CD2 3.44Å; H1306-L1312 CarbonylContact C-O 3.5Å; H1306-L1312 WeakPolarHBondContact CA-O 3.35Å; H1306-L1312 PolarHBondContact ND1-O 3.34Å; D1307-L1312 CarbonylContact C-O 3.54Å; D1307-L1312 HydrophobicContact CB-CB 4.32Å; D1307-L1312 PolarHBondContact N-O 3.24Å; D1307-L1312 VanDerWaalsContact N-O 3.14Å; D1307-L1312 CarbonylContact O-C 3.5Å; D1307-L1312 WeakPolarHBondContact O-CA 3.34Å; D1307-L1312 WeakPolarHBondContact O-CB 3.38Å; D1307-L1312 PolarHBondContact O-N 3.13Å; D1307-L1312 VanDerWaalsContact O-N 3.08Å; N1310-L1312 VanDerWaalsContact C-N 3.27Å; N1310-L1312 HydrophobicContact CB-CB 4.27Å; N1310-L1312 HydrophobicContact CB-CD1 3.49Å; N1310-L1312 VanDerWaalsContact CB-CD1 3.49Å; N1310-L1312 HydrophobicContact CB-CG 3.73Å; N1310-L1312 PolarHBondContact O-N 3.01Å; N1310-L1312 VanDerWaalsContact O-N 3.13Å; L1312-S1314 VanDerWaalsContact C-N 3.31Å; L1312-S1314 VanDerWaalsContact CB-OG 3.26Å; L1312-S1314 WeakPolarHBondContact CB-OG 3.16Å; L1312-S1314 PolarHBondContact O-N 3.04Å; L1312-S1314 PolarHBondContact O-OG 3.21Å; L1312-W1334 VanDerWaalsContact CD2-CD1 3.42Å; L1312-W1334 VanDerWaalsContact CD2-NE1 3.26Å; L1312-L1335 CarbonylContact C-O 3.53Å; L1312-P1337 HydrophobicContact CD1-CG 4.49Å; L1312-P1337 HydrophobicContact CD2-CB 3.64Å; L1312-P1337 HydrophobicContact CD2-CG 3.8Å; L1312-P1337 HydrophobicContact CG-CB 4.31Å
1313	L	57.9	Low	72.1	Confident	79.4 Å²	79.4	59.8 Å²	59.8	42%	0.416	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-23.7	176.5	-105.2	165.7	0	0	0	111.5	H1306 I1308 Q1311 S1333 L1335 P1337	H1306-L1313 PolarHBondContact CE1-O 3.1Å; H1306-L1313 PolarHBondContact ND1-O 3.2Å; I1308-L1313 HydrophobicContact CG1-CD2 4.4Å; Q1311-L1313 PolarHBondContact O-N 3.4Å; Q1311-L1313 VanDerWaalsContact O-N 3.12Å; L1313-S1333 PolarHBondContact N-O 3.15Å; L1313-L1335 HydrophobicContact CB-CB 4.16Å; L1313-L1335 HydrophobicContact CB-CD1 3.82Å; L1313-L1335 HydrophobicContact CB-CD2 3.71Å; L1313-L1335 HydrophobicContact CB-CG 3.89Å; L1313-L1335 HydrophobicContact CD1-CB 3.51Å; L1313-L1335 VanDerWaalsContact CD1-CB 3.45Å; L1313-L1335 HydrophobicContact CD1-CD2 4.16Å; L1313-L1335 HydrophobicContact CD1-CG 4.32Å; L1313-L1335 HydrophobicContact CG-CB 4.12Å; L1313-L1335 PolarHBondContact N-O 2.87Å; L1313-P1337 HydrophobicContact CB-CG 4.25Å; L1313-P1337 HydrophobicContact CD1-CB 3.73Å; L1313-P1337 HydrophobicContact CD1-CG 3.79Å; L1313-P1337 HydrophobicContact CD2-CG 4.32Å; L1313-P1337 HydrophobicContact CG-CB 4.44Å; L1313-P1337 HydrophobicContact CG-CG 4.04Å
1314	S	64.7	Low	71.6	Confident	43.8 Å²	43.8	66.6 Å²	66.6	31%	0.306	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	132.2	175.3	38.2	0	0	0	0	110.7	L1305 D1307 L1312 S1333 W1334 L1335	L1305-S1314 CarbonylContact O-C 3.42Å; L1305-S1314 VanDerWaalsContact O-CA 3.25Å; L1305-S1314 WeakPolarHBondContact O-CA 3.36Å; L1305-S1314 PolarHBondContact O-N 2.92Å; L1305-S1314 PolarHBondContact O-OG 2.8Å; D1307-S1314 PolarHBondContact N-OG 2.72Å; L1312-S1314 VanDerWaalsContact C-N 3.31Å; L1312-S1314 VanDerWaalsContact CB-OG 3.26Å; L1312-S1314 WeakPolarHBondContact CB-OG 3.16Å; L1312-S1314 PolarHBondContact O-N 3.04Å; L1312-S1314 PolarHBondContact O-OG 3.21Å; S1314-S1333 PolarHBondContact O-N 2.87Å; S1314-W1334 CarbonylContact O-C 3.31Å; S1314-L1335 WeakPolarHBondContact O-CB 3.35Å; S1314-L1335 PolarHBondContact O-N 3Å; S1314-L1335 WeakPolarHBondContact OG-CB 3.23Å
1315	S	73.6	Confident	71.1	Confident	13 Å²	13	69.3 Å²	69.3	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.6	164.9	67.8	0	0	0	0	111.3	L1304 L1305 I1331 S1333 W1334	L1304-S1315 CarbonylContact C-O 3.32Å; L1304-S1315 VanDerWaalsContact CA-O 3.31Å; L1304-S1315 WeakPolarHBondContact CA-O 3.22Å; L1305-S1315 VanDerWaalsContact CB-OG 3.29Å; L1305-S1315 WeakPolarHBondContact CB-OG 3.39Å; L1305-S1315 WeakPolarHBondContact CD1-OG 3.47Å; L1305-S1315 WeakPolarHBondContact CG-OG 3.36Å; L1305-S1315 PolarHBondContact N-O 3.02Å; L1305-S1315 VanDerWaalsContact N-O 3.16Å; L1305-S1315 PolarHBondContact O-N 2.98Å; L1305-S1315 VanDerWaalsContact O-N 3.12Å; S1315-I1331 VanDerWaalsContact CA-O 3.27Å; S1315-I1331 WeakPolarHBondContact CA-O 3.41Å; S1315-S1333 CarbonylContact C-O 3.42Å; S1315-S1333 VanDerWaalsContact CA-O 3.29Å; S1315-S1333 WeakPolarHBondContact CA-O 3.37Å; S1315-S1333 WeakPolarHBondContact CB-O 3.45Å; S1315-W1334 VanDerWaalsContact CB-CD1 3.42Å
1316	I	76.5	Confident	70.5	Confident	76.8 Å²	76.8	74.4 Å²	74.4	39%	0.394	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.2	169.3	-55.9	177.6	0	0	0	106.6	F1302 L1303 L1304 S1330 I1331 K1332 S1333	F1302-I1316 HydrophobicContact CD1-CG2 4.48Å; F1302-I1316 HydrophobicContact CE1-CG2 4.29Å; F1302-I1316 HydrophobicContact CE2-CG2 3.78Å; F1302-I1316 HydrophobicContact CZ-CG2 4.21Å; L1303-I1316 CarbonylContact O-C 3.53Å; L1303-I1316 WeakPolarHBondContact O-CA 3.32Å; L1304-I1316 HydrophobicContact CD1-CG1 4.34Å; L1304-I1316 HydrophobicContact CD2-CB 4.03Å; L1304-I1316 HydrophobicContact CD2-CD1 4Å; L1304-I1316 HydrophobicContact CD2-CG1 3.61Å; L1304-I1316 HydrophobicContact CD2-CG2 3.77Å; L1304-I1316 HydrophobicContact CG-CG1 4.48Å; I1316-S1330 WeakPolarHBondContact O-CA 3.15Å; I1316-I1331 PolarHBondContact N-O 3.04Å; I1316-I1331 VanDerWaalsContact N-O 3.1Å; I1316-I1331 PolarHBondContact O-N 2.86Å; I1316-I1331 VanDerWaalsContact O-N 3.11Å; I1316-K1332 CarbonylContact O-C 3.39Å; I1316-K1332 WeakPolarHBondContact O-CA 3.33Å; I1316-S1333 PolarHBondContact N-O 3.16Å; I1316-S1333 PolarHBondContact O-N 3Å
1317	L	80.3	Confident	70.3	Confident	29.2 Å²	29.2	75.6 Å²	75.6	15%	0.153	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.7	175.8	-167.6	154.1	0	0	0	108.6	K1301 F1302 L1303 E1319 I1328 Y1329 I1331 K1332	K1301-L1317 HydrophobicContact CG-CD2 4.19Å; F1302-L1317 CarbonylContact C-O 3.47Å; F1302-L1317 VanDerWaalsContact CA-O 3.24Å; F1302-L1317 WeakPolarHBondContact CA-O 3.29Å; L1303-L1317 HydrophobicContact CB-CB 4.13Å; L1303-L1317 HydrophobicContact CB-CD2 3.99Å; L1303-L1317 HydrophobicContact CD1-CD2 4.22Å; L1303-L1317 HydrophobicContact CD2-CB 4.01Å; L1303-L1317 PolarHBondContact N-O 2.96Å; L1303-L1317 PolarHBondContact O-N 2.94Å; L1317-E1319 HydrophobicContact CD1-CG 4.49Å; L1317-E1319 HydrophobicContact CD2-CB 4.32Å; L1317-E1319 HydrophobicContact CD2-CG 3.75Å; L1317-E1319 WeakPolarHBondContact CD2-OE1 3.48Å; L1317-E1319 HydrophobicContact CG-CG 4.17Å; L1317-I1328 HydrophobicContact CD2-CG2 4.2Å; L1317-I1328 HydrophobicContact CG-CG2 4.24Å; L1317-Y1329 WeakPolarHBondContact CA-O 3.49Å; L1317-I1331 CarbonylContact C-O 3.44Å; L1317-I1331 VanDerWaalsContact CA-O 3.29Å; L1317-I1331 WeakPolarHBondContact CA-O 3.39Å; L1317-K1332 HydrophobicContact CD1-CD 3.87Å; L1317-K1332 HydrophobicContact CD1-CG 4.09Å; L1317-K1332 HydrophobicContact CG-CD 4.39Å; L1317-K1332 HydrophobicContact CG-CG 4.24Å
1318	M	79.8	Confident	70.2	Confident	64.2 Å²	64.2	78.2 Å²	78.2	32%	0.316	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.1	171	-177	-177.5	178.4	0	0	107.8	I1300 K1301 F1302 Y1329 S1330 I1331	I1300-M1318 HydrophobicContact CD1-CE 4.44Å; I1300-M1318 HydrophobicContact CG2-CE 3.97Å; I1300-M1318 HydrophobicContact CG2-CG 4.23Å; I1300-M1318 HydrophobicContact CG2-SD 4.5Å; K1301-M1318 CarbonylContact O-C 3.54Å; K1301-M1318 VanDerWaalsContact O-CA 3.25Å; K1301-M1318 WeakPolarHBondContact O-CA 3.39Å; F1302-M1318 HydrophobicContact CD1-CB 4.05Å; F1302-M1318 HydrophobicContact CD1-CG 4.07Å; F1302-M1318 HydrophobicContact CD1-SD 4.21Å; F1302-M1318 HydrophobicContact CD2-CB 4.17Å; F1302-M1318 HydrophobicContact CD2-CE 3.71Å; F1302-M1318 HydrophobicContact CD2-CG 4.29Å; F1302-M1318 HydrophobicContact CD2-SD 4.39Å; F1302-M1318 HydrophobicContact CE1-CB 3.93Å; F1302-M1318 HydrophobicContact CE1-CE 3.87Å; F1302-M1318 HydrophobicContact CE1-CG 3.72Å; F1302-M1318 HydrophobicContact CE1-SD 3.81Å; F1302-M1318 WeakPolarHBondContact CE1-SD 3.22Å; F1302-M1318 HydrophobicContact CE2-CB 4.39Å; F1302-M1318 HydrophobicContact CE2-CE 4.25Å; F1302-M1318 HydrophobicContact CE2-CG 4Å; F1302-M1318 HydrophobicContact CE2-SD 3.96Å; F1302-M1318 WeakPolarHBondContact CE2-SD 3.29Å; F1302-M1318 HydrophobicContact CG-CG 4.4Å; F1302-M1318 HydrophobicContact CZ-CB 4.22Å; F1302-M1318 HydrophobicContact CZ-CE 3.8Å; F1302-M1318 HydrophobicContact CZ-CG 3.84Å; F1302-M1318 HydrophobicContact CZ-SD 3.64Å; F1302-M1318 VanDerWaalsContact CZ-SD 3.51Å; F1302-M1318 WeakPolarHBondContact CZ-SD 3.38Å; M1318-Y1329 HydrophobicContact CE-CD2 3.65Å; M1318-Y1329 HydrophobicContact CE-CE2 3.88Å; M1318-Y1329 HydrophobicContact CE-CG 4.47Å; M1318-Y1329 PolarHBondContact N-O 2.87Å; M1318-Y1329 PolarHBondContact O-N 3.01Å; M1318-S1330 CarbonylContact O-C 3.33Å; M1318-S1330 VanDerWaalsContact O-CA 3.27Å; M1318-S1330 WeakPolarHBondContact O-CA 3.29Å; M1318-I1331 HydrophobicContact CB-CB 4.34Å; M1318-I1331 HydrophobicContact CB-CG1 4.41Å; M1318-I1331 PolarHBondContact N-O 3.39Å; M1318-I1331 PolarHBondContact O-N 2.97Å; M1318-I1331 HydrophobicContact SD-CD1 3.92Å; M1318-I1331 HydrophobicContact SD-CG1 4.34Å
1319	E	80.3	Confident	70.8	Confident	42.6 Å²	42.6	78.5 Å²	78.5	20%	0.199	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.2	176.4	-79.3	174.6	-179.8	0	0	108.8	I1300 K1301 L1317 I1328 Y1329 K1332	I1300-E1319 CarbonylContact C-O 3.52Å; I1300-E1319 WeakPolarHBondContact CA-O 3.32Å; K1301-E1319 HydrophobicContact CB-CB 4.28Å; K1301-E1319 PolarHBondContact N-O 2.88Å; K1301-E1319 PolarHBondContact O-N 3.08Å; L1317-E1319 HydrophobicContact CD1-CG 4.49Å; L1317-E1319 HydrophobicContact CD2-CB 4.32Å; L1317-E1319 HydrophobicContact CD2-CG 3.75Å; L1317-E1319 WeakPolarHBondContact CD2-OE1 3.48Å; L1317-E1319 HydrophobicContact CG-CG 4.17Å; E1319-I1328 HydrophobicContact CG-CG1 4.2Å; E1319-I1328 HydrophobicContact CG-CG2 4.48Å; E1319-Y1329 CarbonylContact C-O 3.43Å; E1319-Y1329 WeakPolarHBondContact CA-O 3.46Å; E1319-K1332 WeakPolarHBondContact OE1-CE 3.35Å; E1319-K1332 IonicContact OE1-NZ 3.31Å; E1319-K1332 PolarHBondContact OE1-NZ 3.28Å
1320	Y	80.6	Confident	71.6	Confident	59.8 Å²	59.8	73.2 Å²	73.2	24%	0.235	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.6	167.7	173.4	-93.4	0	0	0	108.3	E1298 S1299 I1300 D1322 Q1326 K1327 I1328 Y1329	E1298-Y1320 HydrophobicContact CB-CE2 4.13Å; E1298-Y1320 VanDerWaalsContact CD-OH 3.22Å; E1298-Y1320 HydrophobicContact CG-CE2 4.09Å; E1298-Y1320 WeakPolarHBondContact CG-OH 3.26Å; E1298-Y1320 PolarHBondContact OE1-OH 3.16Å; E1298-Y1320 VanDerWaalsContact OE1-OH 3.1Å; E1298-Y1320 WeakPolarHBondContact OE2-CE2 3.44Å; E1298-Y1320 PolarHBondContact OE2-OH 2.96Å; S1299-Y1320 CarbonylContact O-C 3.46Å; S1299-Y1320 WeakPolarHBondContact O-CA 3.29Å; S1299-Y1320 WeakPolarHBondContact O-CD2 3.43Å; I1300-Y1320 HydrophobicContact CD1-CD2 4.31Å; I1300-Y1320 HydrophobicContact CG1-CD2 3.79Å; I1300-Y1320 HydrophobicContact CG1-CE2 4.41Å; Y1320-D1322 HydrophobicContact CD1-CB 4.49Å; Y1320-D1322 HydrophobicContact CE1-CB 3.95Å; Y1320-D1322 PolarHBondContact OH-OD2 3.33Å; Y1320-Q1326 WeakPolarHBondContact O-CA 3.28Å; Y1320-K1327 HydrophobicContact CD1-CB 4.36Å; Y1320-K1327 HydrophobicContact CD1-CD 4.28Å; Y1320-K1327 PolarHBondContact N-O 2.76Å; Y1320-K1327 PolarHBondContact O-N 3Å; Y1320-I1328 CarbonylContact O-C 3.45Å; Y1320-I1328 WeakPolarHBondContact O-CA 3.18Å; Y1320-Y1329 AromaticContact CD1-CD2 3.68Å; Y1320-Y1329 HydrophobicContact CD1-CD2 3.68Å; Y1320-Y1329 VanDerWaalsContact CD1-CD2 3.49Å; Y1320-Y1329 HydrophobicContact CD1-CE2 4.26Å; Y1320-Y1329 HydrophobicContact CD1-CG 4.21Å; Y1320-Y1329 AromaticContact CE1-CD2 3.79Å; Y1320-Y1329 HydrophobicContact CE1-CD2 3.99Å; Y1320-Y1329 AromaticContact CE1-CE2 3.95Å; Y1320-Y1329 HydrophobicContact CE1-CE2 4.13Å; Y1320-Y1329 PolarHBondContact N-O 3.04Å; Y1320-Y1329 PolarHBondContact O-N 2.97Å
1321	N	77.4	Confident	72.4	Confident	46 Å²	46	71.5 Å²	71.5	25%	0.246	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.7	177.2	-83.7	-15	0	0	0	109.7	E1298 S1299 Q1326 K1327 I1328	E1298-N1321 CarbonylContact C-O 3.47Å; E1298-N1321 VanDerWaalsContact CA-O 3.32Å; E1298-N1321 WeakPolarHBondContact CA-O 3.31Å; S1299-N1321 PolarHBondContact N-O 3.16Å; S1299-N1321 PolarHBondContact O-N 3.24Å; S1299-N1321 WeakPolarHBondContact OG-CB 3.37Å; S1299-N1321 PolarHBondContact OG-ND2 2.79Å; S1299-N1321 PolarHBondContact OG-O 2.94Å; N1321-Q1326 WeakPolarHBondContact OD1-CG 3.44Å; N1321-K1327 WeakPolarHBondContact CA-O 3.35Å; N1321-I1328 HydrophobicContact CB-CG1 4.17Å; N1321-I1328 WeakPolarHBondContact OD1-CG1 3.31Å; N1321-I1328 WeakPolarHBondContact OD1-CG2 3.33Å
1322	D	74.1	Confident	73.5	Confident	31 Å²	31	69.2 Å²	69.2	17%	0.166	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.8	169.4	175.7	0.3	0	0	0	108.1	E1298 Y1320 Y1324 H1325 Q1326 K1327	E1298-D1322 HydrophobicContact CG-CB 4.37Å; Y1320-D1322 HydrophobicContact CD1-CB 4.49Å; Y1320-D1322 HydrophobicContact CE1-CB 3.95Å; Y1320-D1322 PolarHBondContact OH-OD2 3.33Å; D1322-Y1324 PolarHBondContact O-N 3.25Å; D1322-Y1324 WeakPolarHBondContact OD1-CA 3.4Å; D1322-Y1324 WeakPolarHBondContact OD1-CB 3.24Å; D1322-Y1324 PolarHBondContact OD1-N 3.21Å; D1322-H1325 PolarHBondContact N-O 3.01Å; D1322-H1325 VanDerWaalsContact N-O 3.09Å; D1322-H1325 PolarHBondContact O-N 3.28Å; D1322-H1325 IonicContact OD1-CD2 3.18Å; D1322-H1325 PolarHBondContact OD1-CD2 2.93Å; D1322-H1325 IonicContact OD1-CG 3.45Å; D1322-H1325 PolarHBondContact OD1-N 2.88Å; D1322-H1325 VanDerWaalsContact OD2-CB 3.32Å; D1322-H1325 WeakPolarHBondContact OD2-CB 3.06Å; D1322-H1325 IonicContact OD2-CD2 3.09Å; D1322-H1325 PolarHBondContact OD2-CD2 3.27Å; D1322-H1325 VanDerWaalsContact OD2-CD2 3.25Å; D1322-H1325 IonicContact OD2-CG 3Å; D1322-Q1326 CarbonylContact O-C 3.45Å; D1322-Q1326 WeakPolarHBondContact O-CA 3.34Å; D1322-Q1326 PolarHBondContact O-N 3.01Å; D1322-K1327 HydrophobicContact CB-CB 4.27Å; D1322-K1327 PolarHBondContact N-O 2.99Å; D1322-K1327 PolarHBondContact O-N 3.3Å; D1322-K1327 IonicContact OD2-NZ 2.67Å; D1322-K1327 PolarHBondContact OD2-NZ 2.94Å
1323	E	69.9	Low	74.5	Confident	103.8 Å²	103.8	68.2 Å²	68.2	49%	0.485	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.8	-178.2	-69.2	-171.9	156	0	0	112.6	K1297 Q1326	K1297-E1323 HydrophobicContact CB-CB 4.09Å; K1297-E1323 HydrophobicContact CB-CG 4.26Å; K1297-E1323 HydrophobicContact CD-CB 4.38Å; K1297-E1323 HydrophobicContact CD-CG 4.05Å; K1297-E1323 WeakPolarHBondContact CD-OE1 3.34Å; K1297-E1323 WeakPolarHBondContact CE-OE1 3.43Å; K1297-E1323 IonicContact NZ-OE1 3.32Å; K1297-E1323 PolarHBondContact NZ-OE1 3.31Å; K1297-E1323 WeakPolarHBondContact O-CB 3.45Å; K1297-E1323 PolarHBondContact O-N 3.06Å; E1323-Q1326 PolarHBondContact O-N 2.75Å
1324	Y	68.8	Low	75.4	Confident	172.6 Å²	172.6	69.6 Å²	69.6	68%	0.677	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-33.8	-174.4	-109.2	-80.5	0	0	0	112.8	K1297 D1322	K1297-Y1324 HydrophobicContact CB-CD2 4.06Å; K1297-Y1324 HydrophobicContact CB-CE2 4.25Å; K1297-Y1324 HydrophobicContact CD-CD2 4.33Å; K1297-Y1324 HydrophobicContact CD-CE2 3.77Å; K1297-Y1324 HydrophobicContact CG-CD2 4.37Å; K1297-Y1324 HydrophobicContact CG-CE2 4.06Å; D1322-Y1324 PolarHBondContact O-N 3.25Å; D1322-Y1324 WeakPolarHBondContact OD1-CA 3.4Å; D1322-Y1324 WeakPolarHBondContact OD1-CB 3.24Å; D1322-Y1324 PolarHBondContact OD1-N 3.21Å
1325	H	68.8	Low	75.7	Confident	120.2 Å²	120.2	69.8 Å²	69.8	56%	0.556	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	45	-176.7	-63.9	-53.2	0	0	0	113.7	D1322 K1327	D1322-H1325 PolarHBondContact N-O 3.01Å; D1322-H1325 VanDerWaalsContact N-O 3.09Å; D1322-H1325 PolarHBondContact O-N 3.28Å; D1322-H1325 IonicContact OD1-CD2 3.18Å; D1322-H1325 PolarHBondContact OD1-CD2 2.93Å; D1322-H1325 IonicContact OD1-CG 3.45Å; D1322-H1325 PolarHBondContact OD1-N 2.88Å; D1322-H1325 VanDerWaalsContact OD2-CB 3.32Å; D1322-H1325 WeakPolarHBondContact OD2-CB 3.06Å; D1322-H1325 IonicContact OD2-CD2 3.09Å; D1322-H1325 PolarHBondContact OD2-CD2 3.27Å; D1322-H1325 VanDerWaalsContact OD2-CD2 3.25Å; D1322-H1325 IonicContact OD2-CG 3Å; H1325-K1327 VanDerWaalsContact C-N 3.25Å; H1325-K1327 HydrophobicContact CB-CB 4.4Å; H1325-K1327 HydrophobicContact CB-CD 3.88Å; H1325-K1327 VanDerWaalsContact CB-CE 3.46Å; H1325-K1327 HydrophobicContact CB-CG 3.81Å; H1325-K1327 PolarHBondContact CD2-NZ 2.8Å; H1325-K1327 PolarHBondContact O-N 3Å
1326	Q	67.1	Low	75.6	Confident	153.4 Å²	153.4	70.9 Å²	70.9	72%	0.717	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	16	67.6	177.1	-100.9	176.6	1.4	0	0	111.1	Y1320 N1321 D1322 E1323 I1328	Y1320-Q1326 WeakPolarHBondContact O-CA 3.28Å; N1321-Q1326 WeakPolarHBondContact OD1-CG 3.44Å; D1322-Q1326 CarbonylContact O-C 3.45Å; D1322-Q1326 WeakPolarHBondContact O-CA 3.34Å; D1322-Q1326 PolarHBondContact O-N 3.01Å; E1323-Q1326 PolarHBondContact O-N 2.75Å; Q1326-I1328 HydrophobicContact CG-CD1 4.39Å; Q1326-I1328 HydrophobicContact CG-CG1 4.04Å
1327	K	71.2	Confident	74.9	Confident	75.2 Å²	75.2	69.6 Å²	69.6	33%	0.327	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.8	-179.8	-68.3	-179.6	-169.5	152.8	0	109.8	Y1320 N1321 D1322 H1325 Y1329 P1349	Y1320-K1327 HydrophobicContact CD1-CB 4.36Å; Y1320-K1327 HydrophobicContact CD1-CD 4.28Å; Y1320-K1327 PolarHBondContact N-O 2.76Å; Y1320-K1327 PolarHBondContact O-N 3Å; N1321-K1327 WeakPolarHBondContact CA-O 3.35Å; D1322-K1327 HydrophobicContact CB-CB 4.27Å; D1322-K1327 PolarHBondContact N-O 2.99Å; D1322-K1327 PolarHBondContact O-N 3.3Å; D1322-K1327 IonicContact OD2-NZ 2.67Å; D1322-K1327 PolarHBondContact OD2-NZ 2.94Å; H1325-K1327 VanDerWaalsContact C-N 3.25Å; H1325-K1327 HydrophobicContact CB-CB 4.4Å; H1325-K1327 HydrophobicContact CB-CD 3.88Å; H1325-K1327 VanDerWaalsContact CB-CE 3.46Å; H1325-K1327 HydrophobicContact CB-CG 3.81Å; H1325-K1327 PolarHBondContact CD2-NZ 2.8Å; H1325-K1327 PolarHBondContact O-N 3Å; K1327-Y1329 HydrophobicContact CB-CD2 4.3Å; K1327-Y1329 HydrophobicContact CB-CE2 4Å; K1327-Y1329 HydrophobicContact CD-CE2 4.23Å; K1327-P1349 HydrophobicContact CB-CB 4.18Å; K1327-P1349 HydrophobicContact CB-CG 3.9Å; K1327-P1349 HydrophobicContact CD-CB 4.31Å; K1327-P1349 HydrophobicContact CD-CG 4.1Å; K1327-P1349 HydrophobicContact CG-CB 3.92Å; K1327-P1349 HydrophobicContact CG-CG 3.93Å
1328	I	72.8	Confident	73.9	Confident	69.4 Å²	69.4	78.5 Å²	78.5	36%	0.356	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.9	174.4	-53.8	-179	0	0	0	108.3	L1317 E1319 Y1320 N1321 Q1326 P1349	L1317-I1328 HydrophobicContact CD2-CG2 4.2Å; L1317-I1328 HydrophobicContact CG-CG2 4.24Å; E1319-I1328 HydrophobicContact CG-CG1 4.2Å; E1319-I1328 HydrophobicContact CG-CG2 4.48Å; Y1320-I1328 CarbonylContact O-C 3.45Å; Y1320-I1328 WeakPolarHBondContact O-CA 3.18Å; N1321-I1328 HydrophobicContact CB-CG1 4.17Å; N1321-I1328 WeakPolarHBondContact OD1-CG1 3.31Å; N1321-I1328 WeakPolarHBondContact OD1-CG2 3.33Å; Q1326-I1328 HydrophobicContact CG-CD1 4.39Å; Q1326-I1328 HydrophobicContact CG-CG1 4.04Å; I1328-P1349 WeakPolarHBondContact O-CD 3.04Å
1329	Y	78.3	Confident	73.3	Confident	93.8 Å²	93.8	83.2 Å²	83.2	37%	0.368	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.6	166.3	-61	-99.9	0	0	0	107.4	L1317 M1318 E1319 Y1320 K1327 Q1347 W1348 P1349	L1317-Y1329 WeakPolarHBondContact CA-O 3.49Å; M1318-Y1329 HydrophobicContact CE-CD2 3.65Å; M1318-Y1329 HydrophobicContact CE-CE2 3.88Å; M1318-Y1329 HydrophobicContact CE-CG 4.47Å; M1318-Y1329 PolarHBondContact N-O 2.87Å; M1318-Y1329 PolarHBondContact O-N 3.01Å; E1319-Y1329 CarbonylContact C-O 3.43Å; E1319-Y1329 WeakPolarHBondContact CA-O 3.46Å; Y1320-Y1329 AromaticContact CD1-CD2 3.68Å; Y1320-Y1329 HydrophobicContact CD1-CD2 3.68Å; Y1320-Y1329 VanDerWaalsContact CD1-CD2 3.49Å; Y1320-Y1329 HydrophobicContact CD1-CE2 4.26Å; Y1320-Y1329 HydrophobicContact CD1-CG 4.21Å; Y1320-Y1329 AromaticContact CE1-CD2 3.79Å; Y1320-Y1329 HydrophobicContact CE1-CD2 3.99Å; Y1320-Y1329 AromaticContact CE1-CE2 3.95Å; Y1320-Y1329 HydrophobicContact CE1-CE2 4.13Å; Y1320-Y1329 PolarHBondContact N-O 3.04Å; Y1320-Y1329 PolarHBondContact O-N 2.97Å; K1327-Y1329 HydrophobicContact CB-CD2 4.3Å; K1327-Y1329 HydrophobicContact CB-CE2 4Å; K1327-Y1329 HydrophobicContact CD-CE2 4.23Å; Y1329-Q1347 CarbonylContact C-O 3.45Å; Y1329-Q1347 VanDerWaalsContact CA-O 3.28Å; Y1329-Q1347 WeakPolarHBondContact CA-O 3.33Å; Y1329-W1348 HydrophobicContact CD1-CB 3.93Å; Y1329-W1348 AromaticContact CD1-CD1 3.8Å; Y1329-W1348 HydrophobicContact CE1-CB 4.13Å; Y1329-W1348 AromaticContact CE1-CD1 3.8Å; Y1329-P1349 HydrophobicContact CD1-CG 4.43Å; Y1329-P1349 HydrophobicContact CD2-CG 4.33Å; Y1329-P1349 HydrophobicContact CE1-CG 3.93Å; Y1329-P1349 HydrophobicContact CE2-CG 3.88Å; Y1329-P1349 VanDerWaalsContact CZ-CD 3.49Å
1330	S	81.8	Confident	72.9	Confident	2 Å²	2	84.2 Å²	84.2	1%	0.014	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.9	177.8	82.5	0	0	0	0	112.5	I1316 M1318 K1332 F1346 Q1347	I1316-S1330 WeakPolarHBondContact O-CA 3.15Å; M1318-S1330 CarbonylContact O-C 3.33Å; M1318-S1330 VanDerWaalsContact O-CA 3.27Å; M1318-S1330 WeakPolarHBondContact O-CA 3.29Å; S1330-K1332 WeakPolarHBondContact OG-CE 3.34Å; S1330-F1346 CarbonylContact O-C 3.51Å; S1330-F1346 WeakPolarHBondContact O-CA 3.32Å; S1330-Q1347 PolarHBondContact N-O 2.99Å; S1330-Q1347 VanDerWaalsContact N-O 3.11Å; S1330-Q1347 PolarHBondContact O-N 2.89Å; S1330-Q1347 VanDerWaalsContact O-N 3.17Å; S1330-Q1347 WeakPolarHBondContact OG-CB 3.28Å; S1330-Q1347 PolarHBondContact OG-OE1 3.02Å
1331	I	79	Confident	72.8	Confident	65.8 Å²	65.8	83.2 Å²	83.2	34%	0.337	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.2	169.9	-54.3	179.4	0	0	0	106.2	S1315 I1316 L1317 M1318 F1344 T1345 F1346	S1315-I1331 VanDerWaalsContact CA-O 3.27Å; S1315-I1331 WeakPolarHBondContact CA-O 3.41Å; I1316-I1331 PolarHBondContact N-O 3.04Å; I1316-I1331 VanDerWaalsContact N-O 3.1Å; I1316-I1331 PolarHBondContact O-N 2.86Å; I1316-I1331 VanDerWaalsContact O-N 3.11Å; L1317-I1331 CarbonylContact C-O 3.44Å; L1317-I1331 VanDerWaalsContact CA-O 3.29Å; L1317-I1331 WeakPolarHBondContact CA-O 3.39Å; M1318-I1331 HydrophobicContact CB-CB 4.34Å; M1318-I1331 HydrophobicContact CB-CG1 4.41Å; M1318-I1331 PolarHBondContact N-O 3.39Å; M1318-I1331 PolarHBondContact O-N 2.97Å; M1318-I1331 HydrophobicContact SD-CD1 3.92Å; M1318-I1331 HydrophobicContact SD-CG1 4.34Å; I1331-F1344 HydrophobicContact CG2-CD2 4.33Å; I1331-F1344 HydrophobicContact CG2-CE1 3.81Å; I1331-F1344 HydrophobicContact CG2-CE2 3.98Å; I1331-F1344 VanDerWaalsContact CG2-CE2 3.42Å; I1331-F1344 HydrophobicContact CG2-CZ 3.51Å; I1331-F1344 VanDerWaalsContact CG2-CZ 3.43Å; I1331-T1345 CarbonylContact C-O 3.44Å; I1331-T1345 VanDerWaalsContact CA-O 3.31Å; I1331-T1345 WeakPolarHBondContact CA-O 3.26Å; I1331-F1346 HydrophobicContact CD1-CD1 4.46Å; I1331-F1346 HydrophobicContact CD1-CD2 4.08Å; I1331-F1346 HydrophobicContact CD1-CE1 4.3Å; I1331-F1346 HydrophobicContact CD1-CE2 3.81Å; I1331-F1346 HydrophobicContact CD1-CZ 4.5Å; I1331-F1346 HydrophobicContact CG1-CD1 4.02Å; I1331-F1346 HydrophobicContact CG1-CD2 3.76Å; I1331-F1346 HydrophobicContact CG1-CE1 4.21Å; I1331-F1346 HydrophobicContact CG1-CE2 3.79Å; I1331-F1346 HydrophobicContact CG1-CZ 4.32Å; I1331-F1346 HydrophobicContact CG2-CD1 4.48Å; I1331-F1346 HydrophobicContact CG2-CD2 4.45Å; I1331-F1346 HydrophobicContact CG2-CE1 4.28Å
1332	K	81.5	Confident	72.9	Confident	72.2 Å²	72.2	83.2 Å²	83.2	31%	0.314	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.4	179.4	-45.7	179.9	178.5	-177.8	0	109.7	I1316 L1317 E1319 S1330 F1344 T1345	I1316-K1332 CarbonylContact O-C 3.39Å; I1316-K1332 WeakPolarHBondContact O-CA 3.33Å; L1317-K1332 HydrophobicContact CD1-CD 3.87Å; L1317-K1332 HydrophobicContact CD1-CG 4.09Å; L1317-K1332 HydrophobicContact CG-CD 4.39Å; L1317-K1332 HydrophobicContact CG-CG 4.24Å; E1319-K1332 WeakPolarHBondContact OE1-CE 3.35Å; E1319-K1332 IonicContact OE1-NZ 3.31Å; E1319-K1332 PolarHBondContact OE1-NZ 3.28Å; S1330-K1332 WeakPolarHBondContact OG-CE 3.34Å; K1332-F1344 CarbonylContact O-C 3.17Å; K1332-F1344 VanDerWaalsContact O-CA 3.29Å; K1332-F1344 WeakPolarHBondContact O-CA 3.36Å; K1332-T1345 VanDerWaalsContact CB-OG1 3.3Å; K1332-T1345 WeakPolarHBondContact CB-OG1 3.34Å; K1332-T1345 PolarHBondContact N-O 3.04Å; K1332-T1345 PolarHBondContact O-N 3.01Å; K1332-T1345 VanDerWaalsContact O-N 3.1Å
1333	S	80.7	Confident	73.3	Confident	18.4 Å²	18.4	83.6 Å²	83.6	13%	0.129	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.4	175.3	177.9	0	0	0	0	108.6	L1313 S1314 S1315 I1316 H1342 E1343	L1313-S1333 PolarHBondContact N-O 3.15Å; S1314-S1333 PolarHBondContact O-N 2.87Å; S1315-S1333 CarbonylContact C-O 3.42Å; S1315-S1333 VanDerWaalsContact CA-O 3.29Å; S1315-S1333 WeakPolarHBondContact CA-O 3.37Å; S1315-S1333 WeakPolarHBondContact CB-O 3.45Å; I1316-S1333 PolarHBondContact N-O 3.16Å; I1316-S1333 PolarHBondContact O-N 3Å; S1333-H1342 PolarHBondContact OG-NE2 3.07Å; S1333-E1343 CarbonylContact C-O 3.45Å; S1333-E1343 VanDerWaalsContact CA-O 3.28Å; S1333-E1343 WeakPolarHBondContact CA-O 3.33Å
1334	W	76.4	Confident	74	Confident	107.8 Å²	107.8	81.5 Å²	81.5	41%	0.408	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.2	-178.5	-148.1	13.4	0	0	0	111	N1310 Q1311 L1312 S1314 S1315 Q1336 H1342 E1343	N1310-W1334 PolarHBondContact O-NE1 2.91Å; Q1311-W1334 PolarHBondContact O-NE1 2.84Å; L1312-W1334 VanDerWaalsContact CD2-CD1 3.42Å; L1312-W1334 VanDerWaalsContact CD2-NE1 3.26Å; S1314-W1334 CarbonylContact O-C 3.31Å; S1315-W1334 VanDerWaalsContact CB-CD1 3.42Å; W1334-Q1336 HydrophobicContact CD2-CG 4.29Å; W1334-Q1336 HydrophobicContact CE3-CG 4.17Å; W1334-Q1336 HydrophobicContact CG-CG 4.45Å; W1334-Q1336 HydrophobicContact CH2-CG 4.02Å; W1334-Q1336 HydrophobicContact CZ2-CG 4.13Å; W1334-Q1336 VanDerWaalsContact CZ2-NE2 3.29Å; W1334-Q1336 HydrophobicContact CZ3-CG 4.03Å; W1334-H1342 CarbonylContact O-C 3.57Å; W1334-H1342 WeakPolarHBondContact O-CA 3.36Å; W1334-H1342 PolarHBondContact O-CD2 2.99Å; W1334-H1342 VanDerWaalsContact O-CD2 3.29Å; W1334-E1343 HydrophobicContact CB-CB 4.41Å; W1334-E1343 PolarHBondContact N-O 2.9Å; W1334-E1343 PolarHBondContact O-N 3.19Å
1335	L	71.6	Confident	74.7	Confident	49.2 Å²	49.2	74.2 Å²	74.2	26%	0.258	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.5	175.5	-158.9	83.6	0	0	0	109.8	Q1311 L1312 L1313 S1314 P1337 H1342 Y1360	Q1311-L1335 WeakPolarHBondContact CB-O 3.33Å; L1312-L1335 CarbonylContact C-O 3.53Å; L1313-L1335 HydrophobicContact CB-CB 4.16Å; L1313-L1335 HydrophobicContact CB-CD1 3.82Å; L1313-L1335 HydrophobicContact CB-CD2 3.71Å; L1313-L1335 HydrophobicContact CB-CG 3.89Å; L1313-L1335 HydrophobicContact CD1-CB 3.51Å; L1313-L1335 VanDerWaalsContact CD1-CB 3.45Å; L1313-L1335 HydrophobicContact CD1-CD2 4.16Å; L1313-L1335 HydrophobicContact CD1-CG 4.32Å; L1313-L1335 HydrophobicContact CG-CB 4.12Å; L1313-L1335 PolarHBondContact N-O 2.87Å; S1314-L1335 WeakPolarHBondContact O-CB 3.35Å; S1314-L1335 PolarHBondContact O-N 3Å; S1314-L1335 WeakPolarHBondContact OG-CB 3.23Å; L1335-P1337 HydrophobicContact CD2-CG 4.13Å; L1335-P1337 HydrophobicContact CG-CG 4.19Å; L1335-P1337 WeakPolarHBondContact O-CD 3.31Å; L1335-H1342 HydrophobicContact CD1-CB 3.88Å; L1335-H1342 HydrophobicContact CD2-CB 4.05Å; L1335-H1342 HydrophobicContact CG-CB 4.26Å; L1335-Y1360 HydrophobicContact CD1-CE1 3.83Å; L1335-Y1360 VanDerWaalsContact CD1-CE1 3.49Å; L1335-Y1360 VanDerWaalsContact CD1-OH 3.27Å; L1335-Y1360 WeakPolarHBondContact CD1-OH 3.21Å; L1335-Y1360 HydrophobicContact CD2-CE1 4.25Å
1336	Q	70.5	Confident	75.3	Confident	34.6 Å²	34.6	71.7 Å²	71.7	16%	0.162	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	94.6	176.9	-67.4	-179	8	0	0	109.6	W1334 W1338 R1339 N1340 Q1341	W1334-Q1336 HydrophobicContact CD2-CG 4.29Å; W1334-Q1336 HydrophobicContact CE3-CG 4.17Å; W1334-Q1336 HydrophobicContact CG-CG 4.45Å; W1334-Q1336 HydrophobicContact CH2-CG 4.02Å; W1334-Q1336 HydrophobicContact CZ2-CG 4.13Å; W1334-Q1336 VanDerWaalsContact CZ2-NE2 3.29Å; W1334-Q1336 HydrophobicContact CZ3-CG 4.03Å; Q1336-W1338 VanDerWaalsContact C-N 3.29Å; Q1336-W1338 PolarHBondContact O-N 3.06Å; Q1336-W1338 VanDerWaalsContact O-N 3.15Å; Q1336-R1339 HydrophobicContact CB-CB 4.39Å; Q1336-R1339 PolarHBondContact O-N 2.79Å; Q1336-R1339 VanDerWaalsContact O-N 3.09Å; Q1336-R1339 VanDerWaalsContact O-O 3.12Å; Q1336-N1340 PolarHBondContact O-N 2.82Å; Q1336-Q1341 CarbonylContact C-O 3.4Å; Q1336-Q1341 WeakPolarHBondContact CA-O 3.13Å; Q1336-Q1341 HydrophobicContact CB-CB 4.25Å; Q1336-Q1341 VanDerWaalsContact CD-NE2 3.3Å; Q1336-Q1341 PolarHBondContact N-O 2.87Å; Q1336-Q1341 PolarHBondContact O-N 3.15Å; Q1336-Q1341 VanDerWaalsContact OE1-NE2 3.09Å
1337	P	60.9	Low	75.9	Confident	51.2 Å²	51.2	67.2 Å²	67.2	33%	0.332	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-60.4	-34	-174.8	-7.1	10.2	0	0	0	113.5	Q1311 L1312 L1313 L1335 R1339 N1340 Y1360	Q1311-P1337 WeakPolarHBondContact O-CD 3.24Å; L1312-P1337 HydrophobicContact CD1-CG 4.49Å; L1312-P1337 HydrophobicContact CD2-CB 3.64Å; L1312-P1337 HydrophobicContact CD2-CG 3.8Å; L1312-P1337 HydrophobicContact CG-CB 4.31Å; L1313-P1337 HydrophobicContact CB-CG 4.25Å; L1313-P1337 HydrophobicContact CD1-CB 3.73Å; L1313-P1337 HydrophobicContact CD1-CG 3.79Å; L1313-P1337 HydrophobicContact CD2-CG 4.32Å; L1313-P1337 HydrophobicContact CG-CB 4.44Å; L1313-P1337 HydrophobicContact CG-CG 4.04Å; L1335-P1337 HydrophobicContact CD2-CG 4.13Å; L1335-P1337 HydrophobicContact CG-CG 4.19Å; L1335-P1337 WeakPolarHBondContact O-CD 3.31Å; P1337-R1339 VanDerWaalsContact C-N 3.26Å; P1337-R1339 PolarHBondContact O-N 2.94Å; P1337-R1339 VanDerWaalsContact O-N 3.07Å; P1337-N1340 WeakPolarHBondContact O-CA 3.45Å; P1337-N1340 PolarHBondContact O-N 2.84Å; P1337-N1340 PolarHBondContact O-OD1 3.07Å; P1337-Y1360 VanDerWaalsContact CA-OH 3.27Å; P1337-Y1360 WeakPolarHBondContact CA-OH 3.24Å
1338	W	60.6	Low	76.1	Confident	214.8 Å²	214.8	67.6 Å²	67.6	81%	0.814	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-57	-8.2	179.5	-55.5	93.5	0	0	0	114.7	Q1311 Q1336	Q1311-W1338 HydrophobicContact CB-CB 4.3Å; Q1311-W1338 HydrophobicContact CG-CB 4.33Å; Q1311-W1338 HydrophobicContact CG-CG 4.28Å; Q1311-W1338 HydrophobicContact CG-CZ3 4.35Å; Q1311-W1338 VanDerWaalsContact OE1-CZ3 3.31Å; Q1336-W1338 VanDerWaalsContact C-N 3.29Å; Q1336-W1338 PolarHBondContact O-N 3.06Å; Q1336-W1338 VanDerWaalsContact O-N 3.15Å
1339	R	67	Low	75.7	Confident	162.6 Å²	162.6	65.8 Å²	65.8	61%	0.614	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-111.7	15.1	174.4	-66.9	-169	179.8	171.6	-3.6	112.2	Q1336 P1337 Q1341	Q1336-R1339 HydrophobicContact CB-CB 4.39Å; Q1336-R1339 PolarHBondContact O-N 2.79Å; Q1336-R1339 VanDerWaalsContact O-N 3.09Å; Q1336-R1339 VanDerWaalsContact O-O 3.12Å; P1337-R1339 VanDerWaalsContact C-N 3.26Å; P1337-R1339 PolarHBondContact O-N 2.94Å; P1337-R1339 VanDerWaalsContact O-N 3.07Å; R1339-Q1341 VanDerWaalsContact C-N 3.33Å; R1339-Q1341 HydrophobicContact CB-CB 4.04Å; R1339-Q1341 HydrophobicContact CB-CG 4.2Å; R1339-Q1341 WeakPolarHBondContact O-CG 3.21Å; R1339-Q1341 PolarHBondContact O-N 2.98Å; R1339-Q1341 VanDerWaalsContact O-N 3.17Å
1340	N	72.4	Confident	75.2	Confident	64 Å²	64	68.3 Å²	68.3	34%	0.342	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	37.2	43.7	-173.7	-70.7	-7.3	0	0	0	111.6	Q1336 P1337 I1359 Y1360 D1361	Q1336-N1340 PolarHBondContact O-N 2.82Å; P1337-N1340 WeakPolarHBondContact O-CA 3.45Å; P1337-N1340 PolarHBondContact O-N 2.84Å; P1337-N1340 PolarHBondContact O-OD1 3.07Å; N1340-I1359 HydrophobicContact CB-CG2 4.5Å; N1340-I1359 CarbonylContact O-C 3.54Å; N1340-I1359 VanDerWaalsContact O-C 3.24Å; N1340-I1359 VanDerWaalsContact O-CA 3.28Å; N1340-I1359 WeakPolarHBondContact O-CA 3.35Å; N1340-I1359 WeakPolarHBondContact O-CG2 2.93Å; N1340-Y1360 VanDerWaalsContact C-CD1 3.45Å; N1340-Y1360 VanDerWaalsContact CA-CZ 3.49Å; N1340-Y1360 HydrophobicContact CB-CD1 4.44Å; N1340-Y1360 HydrophobicContact CB-CD2 4.1Å; N1340-Y1360 HydrophobicContact CB-CE1 4.42Å; N1340-Y1360 HydrophobicContact CB-CE2 3.91Å; N1340-Y1360 HydrophobicContact CB-CG 4.13Å; N1340-Y1360 VanDerWaalsContact CB-O 3.27Å; N1340-Y1360 WeakPolarHBondContact CB-O 3.34Å; N1340-Y1360 PolarHBondContact ND2-O 2.99Å; N1340-Y1360 VanDerWaalsContact O-CD1 3.29Å; N1340-Y1360 WeakPolarHBondContact O-CD1 3.41Å; N1340-Y1360 VanDerWaalsContact O-CE1 3.32Å; N1340-Y1360 WeakPolarHBondContact O-CE1 3.41Å; N1340-Y1360 PolarHBondContact O-N 3.14Å; N1340-Y1360 PolarHBondContact OD1-O 2.86Å; N1340-D1361 WeakPolarHBondContact ND2-CA 3.43Å; N1340-D1361 PolarHBondContact ND2-OD1 2.91Å
1341	Q	77	Confident	74	Confident	39 Å²	39	75 Å²	75	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.3	-170.2	-139.7	175.7	-16.9	0	0	111.4	Q1336 R1339 L1357 T1358 I1359 Y1360	Q1336-Q1341 CarbonylContact C-O 3.4Å; Q1336-Q1341 WeakPolarHBondContact CA-O 3.13Å; Q1336-Q1341 HydrophobicContact CB-CB 4.25Å; Q1336-Q1341 VanDerWaalsContact CD-NE2 3.3Å; Q1336-Q1341 PolarHBondContact N-O 2.87Å; Q1336-Q1341 PolarHBondContact O-N 3.15Å; Q1336-Q1341 VanDerWaalsContact OE1-NE2 3.09Å; R1339-Q1341 VanDerWaalsContact C-N 3.33Å; R1339-Q1341 HydrophobicContact CB-CB 4.04Å; R1339-Q1341 HydrophobicContact CB-CG 4.2Å; R1339-Q1341 WeakPolarHBondContact O-CG 3.21Å; R1339-Q1341 PolarHBondContact O-N 2.98Å; R1339-Q1341 VanDerWaalsContact O-N 3.17Å; Q1341-L1357 HydrophobicContact CG-CD1 3.86Å; Q1341-L1357 HydrophobicContact CG-CD2 4.25Å; Q1341-L1357 HydrophobicContact CG-CG 4.14Å; Q1341-L1357 VanDerWaalsContact NE2-CD1 3.28Å; Q1341-T1358 CarbonylContact C-O 3.57Å; Q1341-T1358 VanDerWaalsContact CA-O 3.22Å; Q1341-T1358 WeakPolarHBondContact CA-O 3.22Å; Q1341-I1359 HydrophobicContact CG-CB 4.41Å; Q1341-I1359 HydrophobicContact CG-CG1 4.22Å; Q1341-I1359 HydrophobicContact CG-CG2 4.23Å; Q1341-Y1360 VanDerWaalsContact C-CE1 3.47Å; Q1341-Y1360 VanDerWaalsContact N-CE1 3.3Å; Q1341-Y1360 WeakPolarHBondContact O-CE1 3.41Å
1342	H	80.8	Confident	73.5	Confident	46 Å²	46	76.3 Å²	76.3	21%	0.213	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.2	168.8	174.3	-117.2	0	0	0	109.4	S1333 W1334 L1335 F1344 T1358 Y1360	S1333-H1342 PolarHBondContact OG-NE2 3.07Å; W1334-H1342 CarbonylContact O-C 3.57Å; W1334-H1342 WeakPolarHBondContact O-CA 3.36Å; W1334-H1342 PolarHBondContact O-CD2 2.99Å; W1334-H1342 VanDerWaalsContact O-CD2 3.29Å; L1335-H1342 HydrophobicContact CD1-CB 3.88Å; L1335-H1342 HydrophobicContact CD2-CB 4.05Å; L1335-H1342 HydrophobicContact CG-CB 4.26Å; H1342-F1344 AromaticContact CE1-CD2 3.8Å; H1342-T1358 WeakPolarHBondContact CB-OG1 3.12Å; H1342-T1358 PolarHBondContact N-O 2.93Å; H1342-T1358 VanDerWaalsContact O-CB 3.27Å; H1342-T1358 WeakPolarHBondContact O-CB 3.17Å; H1342-T1358 PolarHBondContact O-N 2.88Å; H1342-T1358 PolarHBondContact O-OG1 3.15Å; H1342-T1358 VanDerWaalsContact O-OG1 3.08Å; H1342-Y1360 HydrophobicContact CB-CD1 4.4Å; H1342-Y1360 HydrophobicContact CB-CE1 4.31Å
1343	E	82.7	Confident	73.3	Confident	38.6 Å²	38.6	74.1 Å²	74.1	18%	0.18	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129	179.4	-171.8	-179.4	172	0	0	109.8	S1333 W1334 T1345 Q1355 I1356 L1357	S1333-E1343 CarbonylContact C-O 3.45Å; S1333-E1343 VanDerWaalsContact CA-O 3.28Å; S1333-E1343 WeakPolarHBondContact CA-O 3.33Å; W1334-E1343 HydrophobicContact CB-CB 4.41Å; W1334-E1343 PolarHBondContact N-O 2.9Å; W1334-E1343 PolarHBondContact O-N 3.19Å; E1343-T1345 HydrophobicContact CG-CG2 4.05Å; E1343-T1345 VanDerWaalsContact OE1-CG2 3.28Å; E1343-T1345 WeakPolarHBondContact OE1-CG2 3.38Å; E1343-Q1355 HydrophobicContact CG-CG 4.41Å; E1343-Q1355 PolarHBondContact OE1-NE2 2.75Å; E1343-I1356 CarbonylContact C-O 3.37Å; E1343-I1356 VanDerWaalsContact CA-O 3.24Å; E1343-I1356 WeakPolarHBondContact CA-O 3.3Å; E1343-L1357 HydrophobicContact CB-CD1 4.31Å; E1343-L1357 HydrophobicContact CG-CB 4.45Å; E1343-L1357 HydrophobicContact CG-CD1 4.37Å
1344	F	83.7	Confident	73.2	Confident	60.2 Å²	60.2	75.5 Å²	75.5	26%	0.264	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.4	174	-163	-82.8	0	0	0	109.7	I1331 K1332 H1342 F1346 Q1355 I1356	I1331-F1344 HydrophobicContact CG2-CD2 4.33Å; I1331-F1344 HydrophobicContact CG2-CE1 3.81Å; I1331-F1344 HydrophobicContact CG2-CE2 3.98Å; I1331-F1344 VanDerWaalsContact CG2-CE2 3.42Å; I1331-F1344 HydrophobicContact CG2-CZ 3.51Å; I1331-F1344 VanDerWaalsContact CG2-CZ 3.43Å; K1332-F1344 CarbonylContact O-C 3.17Å; K1332-F1344 VanDerWaalsContact O-CA 3.29Å; K1332-F1344 WeakPolarHBondContact O-CA 3.36Å; H1342-F1344 AromaticContact CE1-CD2 3.8Å; F1344-F1346 AromaticContact CD1-CD2 3.75Å; F1344-F1346 HydrophobicContact CD1-CD2 3.75Å; F1344-F1346 HydrophobicContact CD1-CE1 4.32Å; F1344-F1346 AromaticContact CD1-CE2 3.29Å; F1344-F1346 HydrophobicContact CD1-CE2 3.29Å; F1344-F1346 HydrophobicContact CD1-CG 4.36Å; F1344-F1346 AromaticContact CD1-CZ 3.64Å; F1344-F1346 HydrophobicContact CD1-CZ 3.64Å; F1344-F1346 VanDerWaalsContact CD1-CZ 3.43Å; F1344-F1346 HydrophobicContact CE1-CB 4.13Å; F1344-F1346 AromaticContact CE1-CD1 3.96Å; F1344-F1346 HydrophobicContact CE1-CD1 4.11Å; F1344-F1346 AromaticContact CE1-CD2 3.64Å; F1344-F1346 HydrophobicContact CE1-CD2 3.9Å; F1344-F1346 AromaticContact CE1-CE1 3.52Å; F1344-F1346 HydrophobicContact CE1-CE1 3.52Å; F1344-F1346 VanDerWaalsContact CE1-CE1 3.47Å; F1344-F1346 AromaticContact CE1-CE2 3.29Å; F1344-F1346 HydrophobicContact CE1-CE2 3.29Å; F1344-F1346 AromaticContact CE1-CG 3.97Å; F1344-F1346 HydrophobicContact CE1-CG 4.05Å; F1344-F1346 AromaticContact CE1-CZ 3.08Å; F1344-F1346 HydrophobicContact CE1-CZ 3.08Å; F1344-F1346 HydrophobicContact CG-CE2 4.49Å; F1344-F1346 HydrophobicContact CZ-CE1 4.15Å; F1344-F1346 HydrophobicContact CZ-CE2 4.21Å; F1344-F1346 AromaticContact CZ-CZ 3.78Å; F1344-F1346 HydrophobicContact CZ-CZ 3.97Å; F1344-Q1355 CarbonylContact O-C 3.14Å; F1344-Q1355 WeakPolarHBondContact O-CA 3.28Å; F1344-I1356 HydrophobicContact CB-CB 4.39Å; F1344-I1356 HydrophobicContact CD1-CD1 4.41Å; F1344-I1356 PolarHBondContact N-O 2.86Å; F1344-I1356 PolarHBondContact O-N 2.9Å
1345	T	82.9	Confident	73.5	Confident	20.2 Å²	20.2	72.3 Å²	72.3	12%	0.124	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.2	179.2	66.3	0	0	0	0	111.1	I1331 K1332 E1343 I1354 Q1355	I1331-T1345 CarbonylContact C-O 3.44Å; I1331-T1345 VanDerWaalsContact CA-O 3.31Å; I1331-T1345 WeakPolarHBondContact CA-O 3.26Å; K1332-T1345 VanDerWaalsContact CB-OG1 3.3Å; K1332-T1345 WeakPolarHBondContact CB-OG1 3.34Å; K1332-T1345 PolarHBondContact N-O 3.04Å; K1332-T1345 PolarHBondContact O-N 3.01Å; K1332-T1345 VanDerWaalsContact O-N 3.1Å; E1343-T1345 HydrophobicContact CG-CG2 4.05Å; E1343-T1345 VanDerWaalsContact OE1-CG2 3.28Å; E1343-T1345 WeakPolarHBondContact OE1-CG2 3.38Å; T1345-I1354 CarbonylContact C-O 3.35Å; T1345-I1354 VanDerWaalsContact CA-O 3.22Å; T1345-I1354 WeakPolarHBondContact CA-O 3.22Å; T1345-Q1355 HydrophobicContact CG2-CB 4.11Å; T1345-Q1355 HydrophobicContact CG2-CG 3.8Å; T1345-Q1355 VanDerWaalsContact CG2-CG 3.45Å
1346	F	82.5	Confident	74	Confident	67.2 Å²	67.2	72.1 Å²	72.1	30%	0.295	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.4	169.1	-103.9	-80.6	0	0	0	108.5	S1330 I1331 F1344 W1348 I1353 I1354 I1356	S1330-F1346 CarbonylContact O-C 3.51Å; S1330-F1346 WeakPolarHBondContact O-CA 3.32Å; I1331-F1346 HydrophobicContact CD1-CD1 4.46Å; I1331-F1346 HydrophobicContact CD1-CD2 4.08Å; I1331-F1346 HydrophobicContact CD1-CE1 4.3Å; I1331-F1346 HydrophobicContact CD1-CE2 3.81Å; I1331-F1346 HydrophobicContact CD1-CZ 4.5Å; I1331-F1346 HydrophobicContact CG1-CD1 4.02Å; I1331-F1346 HydrophobicContact CG1-CD2 3.76Å; I1331-F1346 HydrophobicContact CG1-CE1 4.21Å; I1331-F1346 HydrophobicContact CG1-CE2 3.79Å; I1331-F1346 HydrophobicContact CG1-CZ 4.32Å; I1331-F1346 HydrophobicContact CG2-CD1 4.48Å; I1331-F1346 HydrophobicContact CG2-CD2 4.45Å; I1331-F1346 HydrophobicContact CG2-CE1 4.28Å; F1344-F1346 AromaticContact CD1-CD2 3.75Å; F1344-F1346 HydrophobicContact CD1-CD2 3.75Å; F1344-F1346 HydrophobicContact CD1-CE1 4.32Å; F1344-F1346 AromaticContact CD1-CE2 3.29Å; F1344-F1346 HydrophobicContact CD1-CE2 3.29Å; F1344-F1346 HydrophobicContact CD1-CG 4.36Å; F1344-F1346 AromaticContact CD1-CZ 3.64Å; F1344-F1346 HydrophobicContact CD1-CZ 3.64Å; F1344-F1346 VanDerWaalsContact CD1-CZ 3.43Å; F1344-F1346 HydrophobicContact CE1-CB 4.13Å; F1344-F1346 AromaticContact CE1-CD1 3.96Å; F1344-F1346 HydrophobicContact CE1-CD1 4.11Å; F1344-F1346 AromaticContact CE1-CD2 3.64Å; F1344-F1346 HydrophobicContact CE1-CD2 3.9Å; F1344-F1346 AromaticContact CE1-CE1 3.52Å; F1344-F1346 HydrophobicContact CE1-CE1 3.52Å; F1344-F1346 VanDerWaalsContact CE1-CE1 3.47Å; F1344-F1346 AromaticContact CE1-CE2 3.29Å; F1344-F1346 HydrophobicContact CE1-CE2 3.29Å; F1344-F1346 AromaticContact CE1-CG 3.97Å; F1344-F1346 HydrophobicContact CE1-CG 4.05Å; F1344-F1346 AromaticContact CE1-CZ 3.08Å; F1344-F1346 HydrophobicContact CE1-CZ 3.08Å; F1344-F1346 HydrophobicContact CG-CE2 4.49Å; F1344-F1346 HydrophobicContact CZ-CE1 4.15Å; F1344-F1346 HydrophobicContact CZ-CE2 4.21Å; F1344-F1346 AromaticContact CZ-CZ 3.78Å; F1344-F1346 HydrophobicContact CZ-CZ 3.97Å; F1346-W1348 HydrophobicContact CB-CE3 4.39Å; F1346-W1348 HydrophobicContact CB-CH2 3.84Å; F1346-W1348 VanDerWaalsContact CB-CH2 3.44Å; F1346-W1348 HydrophobicContact CB-CZ2 4.03Å; F1346-W1348 HydrophobicContact CB-CZ3 3.89Å; F1346-W1348 AromaticContact CD1-CE3 3.49Å; F1346-W1348 HydrophobicContact CD1-CE3 3.49Å; F1346-W1348 VanDerWaalsContact CD1-CE3 3.47Å; F1346-W1348 AromaticContact CD1-CZ3 3.9Å; F1346-W1348 HydrophobicContact CD1-CZ3 3.9Å; F1346-W1348 HydrophobicContact CE1-CB 4.43Å; F1346-W1348 HydrophobicContact CE1-CD2 4.36Å; F1346-W1348 AromaticContact CE1-CE3 3.69Å; F1346-W1348 HydrophobicContact CE1-CE3 3.69Å; F1346-W1348 HydrophobicContact CE1-CZ3 4.37Å; F1346-W1348 HydrophobicContact CG-CH2 4.12Å; F1346-I1353 CarbonylContact O-C 3.35Å; F1346-I1353 VanDerWaalsContact O-CA 3.32Å; F1346-I1353 WeakPolarHBondContact O-CA 3.37Å; F1346-I1354 HydrophobicContact CB-CB 4.42Å; F1346-I1354 PolarHBondContact N-O 2.87Å; F1346-I1354 PolarHBondContact O-N 2.9Å; F1346-I1356 HydrophobicContact CE2-CD1 4.38Å
1347	Q	79.5	Confident	74.7	Confident	59.8 Å²	59.8	72 Å²	72	28%	0.279	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.9	176.6	-178.8	177.1	3.7	0	0	109.5	Y1329 S1330 Q1352 I1353	Y1329-Q1347 CarbonylContact C-O 3.45Å; Y1329-Q1347 VanDerWaalsContact CA-O 3.28Å; Y1329-Q1347 WeakPolarHBondContact CA-O 3.33Å; S1330-Q1347 PolarHBondContact N-O 2.99Å; S1330-Q1347 VanDerWaalsContact N-O 3.11Å; S1330-Q1347 PolarHBondContact O-N 2.89Å; S1330-Q1347 VanDerWaalsContact O-N 3.17Å; S1330-Q1347 WeakPolarHBondContact OG-CB 3.28Å; S1330-Q1347 PolarHBondContact OG-OE1 3.02Å; Q1347-Q1352 WeakPolarHBondContact CA-O 3.42Å; Q1347-I1353 HydrophobicContact CB-CG1 4.31Å; Q1347-I1353 HydrophobicContact CG-CD1 4.48Å; Q1347-I1353 HydrophobicContact CG-CG1 4.06Å
1348	W	75.8	Confident	75.7	Confident	83.2 Å²	83.2	70.2 Å²	70.2	32%	0.315	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	164.1	171.4	30.6	76.7	0	0	0	110.3	Y1329 F1346 N1350 L1351 Q1352 I1354	Y1329-W1348 HydrophobicContact CD1-CB 3.93Å; Y1329-W1348 AromaticContact CD1-CD1 3.8Å; Y1329-W1348 HydrophobicContact CE1-CB 4.13Å; Y1329-W1348 AromaticContact CE1-CD1 3.8Å; F1346-W1348 HydrophobicContact CB-CE3 4.39Å; F1346-W1348 HydrophobicContact CB-CH2 3.84Å; F1346-W1348 VanDerWaalsContact CB-CH2 3.44Å; F1346-W1348 HydrophobicContact CB-CZ2 4.03Å; F1346-W1348 HydrophobicContact CB-CZ3 3.89Å; F1346-W1348 AromaticContact CD1-CE3 3.49Å; F1346-W1348 HydrophobicContact CD1-CE3 3.49Å; F1346-W1348 VanDerWaalsContact CD1-CE3 3.47Å; F1346-W1348 AromaticContact CD1-CZ3 3.9Å; F1346-W1348 HydrophobicContact CD1-CZ3 3.9Å; F1346-W1348 HydrophobicContact CE1-CB 4.43Å; F1346-W1348 HydrophobicContact CE1-CD2 4.36Å; F1346-W1348 AromaticContact CE1-CE3 3.69Å; F1346-W1348 HydrophobicContact CE1-CE3 3.69Å; F1346-W1348 HydrophobicContact CE1-CZ3 4.37Å; F1346-W1348 HydrophobicContact CG-CH2 4.12Å; W1348-N1350 PolarHBondContact O-N 2.91Å; W1348-L1351 PolarHBondContact O-N 2.86Å; W1348-Q1352 HydrophobicContact CB-CB 4.33Å; W1348-Q1352 VanDerWaalsContact CD1-CB 3.44Å; W1348-Q1352 HydrophobicContact CD2-CB 3.97Å; W1348-Q1352 VanDerWaalsContact CE2-OE1 3.31Å; W1348-Q1352 HydrophobicContact CE3-CB 4.42Å; W1348-Q1352 HydrophobicContact CG-CB 4.31Å; W1348-Q1352 HydrophobicContact CH2-CB 4.21Å; W1348-Q1352 HydrophobicContact CZ2-CB 3.66Å; W1348-Q1352 HydrophobicContact CZ2-CG 4.46Å; W1348-Q1352 PolarHBondContact N-O 3.09Å; W1348-Q1352 VanDerWaalsContact NE1-CB 3.33Å; W1348-Q1352 PolarHBondContact O-N 3.03Å; W1348-I1354 HydrophobicContact CH2-CB 4.21Å; W1348-I1354 HydrophobicContact CH2-CD1 3.57Å; W1348-I1354 VanDerWaalsContact CH2-CD1 3.47Å; W1348-I1354 HydrophobicContact CH2-CG1 3.8Å; W1348-I1354 HydrophobicContact CZ2-CD1 3.83Å; W1348-I1354 HydrophobicContact CZ2-CG1 4.21Å; W1348-I1354 HydrophobicContact CZ3-CB 4.02Å; W1348-I1354 HydrophobicContact CZ3-CD1 3.82Å; W1348-I1354 HydrophobicContact CZ3-CG1 3.88Å
1349	P	64.5	Low	76.7	Confident	31 Å²	31	63 Å²	63	20%	0.201	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	153.6	179.8	-7.7	7.6	0	0	0	113.6	K1327 I1328 Y1329 L1351	K1327-P1349 HydrophobicContact CB-CB 4.18Å; K1327-P1349 HydrophobicContact CB-CG 3.9Å; K1327-P1349 HydrophobicContact CD-CB 4.31Å; K1327-P1349 HydrophobicContact CD-CG 4.1Å; K1327-P1349 HydrophobicContact CG-CB 3.92Å; K1327-P1349 HydrophobicContact CG-CG 3.93Å; I1328-P1349 WeakPolarHBondContact O-CD 3.04Å; Y1329-P1349 HydrophobicContact CD1-CG 4.43Å; Y1329-P1349 HydrophobicContact CD2-CG 4.33Å; Y1329-P1349 HydrophobicContact CE1-CG 3.93Å; Y1329-P1349 HydrophobicContact CE2-CG 3.88Å; Y1329-P1349 VanDerWaalsContact CZ-CD 3.49Å; P1349-L1351 PolarHBondContact O-N 3.46Å
1350	N	66.6	Low	77.2	Confident	147 Å²	147	57.4 Å²	57.4	79%	0.786	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	31.6	-175.3	-56.9	-12.9	0	0	0	115.1	W1348 Q1352	W1348-N1350 PolarHBondContact O-N 2.91Å; N1350-Q1352 VanDerWaalsContact O-CG 3.31Å; N1350-Q1352 WeakPolarHBondContact O-CG 3.12Å; N1350-Q1352 PolarHBondContact O-N 2.83Å; N1350-Q1352 VanDerWaalsContact O-N 3.13Å
1351	L	57.5	Low	77.3	Confident	142.2 Å²	142.2	57.9 Å²	57.9	75%	0.745	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	18.7	175	-65.1	166.5	0	0	0	115	W1348 P1349 I1353	W1348-L1351 PolarHBondContact O-N 2.86Å; P1349-L1351 PolarHBondContact O-N 3.46Å; L1351-I1353 PolarHBondContact O-N 3Å
1352	Q	69.2	Low	76.6	Confident	94 Å²	94	61.4 Å²	61.4	44%	0.439	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.4	174.8	-62.7	-176.3	-9.9	0	0	109.9	Q1347 W1348 N1350 N1380	Q1347-Q1352 WeakPolarHBondContact CA-O 3.42Å; W1348-Q1352 HydrophobicContact CB-CB 4.33Å; W1348-Q1352 VanDerWaalsContact CD1-CB 3.44Å; W1348-Q1352 HydrophobicContact CD2-CB 3.97Å; W1348-Q1352 VanDerWaalsContact CE2-OE1 3.31Å; W1348-Q1352 HydrophobicContact CE3-CB 4.42Å; W1348-Q1352 HydrophobicContact CG-CB 4.31Å; W1348-Q1352 HydrophobicContact CH2-CB 4.21Å; W1348-Q1352 HydrophobicContact CZ2-CB 3.66Å; W1348-Q1352 HydrophobicContact CZ2-CG 4.46Å; W1348-Q1352 PolarHBondContact N-O 3.09Å; W1348-Q1352 VanDerWaalsContact NE1-CB 3.33Å; W1348-Q1352 PolarHBondContact O-N 3.03Å; N1350-Q1352 VanDerWaalsContact O-CG 3.31Å; N1350-Q1352 WeakPolarHBondContact O-CG 3.12Å; N1350-Q1352 PolarHBondContact O-N 2.83Å; N1350-Q1352 VanDerWaalsContact O-N 3.13Å; Q1352-N1380 VanDerWaalsContact CA-OD1 3.26Å; Q1352-N1380 WeakPolarHBondContact CA-OD1 3.29Å; Q1352-N1380 VanDerWaalsContact CB-OD1 3.32Å; Q1352-N1380 WeakPolarHBondContact CB-OD1 3.39Å
1353	I	76.2	Confident	75.6	Confident	24.4 Å²	24.4	62.2 Å²	62.2	13%	0.125	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.6	-175.5	-59.3	171.6	0	0	0	108	F1346 Q1347 L1351 Q1355 I1379 N1380	F1346-I1353 CarbonylContact O-C 3.35Å; F1346-I1353 VanDerWaalsContact O-CA 3.32Å; F1346-I1353 WeakPolarHBondContact O-CA 3.37Å; Q1347-I1353 HydrophobicContact CB-CG1 4.31Å; Q1347-I1353 HydrophobicContact CG-CD1 4.48Å; Q1347-I1353 HydrophobicContact CG-CG1 4.06Å; L1351-I1353 PolarHBondContact O-N 3Å; I1353-Q1355 HydrophobicContact CG2-CB 4.49Å; I1353-Q1355 HydrophobicContact CG2-CG 3.65Å; I1353-I1379 CarbonylContact O-C 3.42Å; I1353-I1379 WeakPolarHBondContact O-CA 3.22Å; I1353-N1380 PolarHBondContact N-OD1 2.95Å; I1353-N1380 VanDerWaalsContact N-OD1 3.1Å; I1353-N1380 PolarHBondContact O-N 2.99Å
1354	I	79.3	Confident	74.1	Confident	48.6 Å²	48.6	65.5 Å²	65.5	25%	0.249	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.4	164.4	-66.9	177.3	0	0	0	107.5	T1345 F1346 W1348 I1356 I1377 Y1378 I1379	T1345-I1354 CarbonylContact C-O 3.35Å; T1345-I1354 VanDerWaalsContact CA-O 3.22Å; T1345-I1354 WeakPolarHBondContact CA-O 3.22Å; F1346-I1354 HydrophobicContact CB-CB 4.42Å; F1346-I1354 PolarHBondContact N-O 2.87Å; F1346-I1354 PolarHBondContact O-N 2.9Å; W1348-I1354 HydrophobicContact CH2-CB 4.21Å; W1348-I1354 HydrophobicContact CH2-CD1 3.57Å; W1348-I1354 VanDerWaalsContact CH2-CD1 3.47Å; W1348-I1354 HydrophobicContact CH2-CG1 3.8Å; W1348-I1354 HydrophobicContact CZ2-CD1 3.83Å; W1348-I1354 HydrophobicContact CZ2-CG1 4.21Å; W1348-I1354 HydrophobicContact CZ3-CB 4.02Å; W1348-I1354 HydrophobicContact CZ3-CD1 3.82Å; W1348-I1354 HydrophobicContact CZ3-CG1 3.88Å; I1354-I1356 HydrophobicContact CG2-CD1 4.32Å; I1354-I1356 HydrophobicContact CG2-CG1 4.05Å; I1354-I1377 HydrophobicContact CG2-CG2 4.3Å; I1354-Y1378 WeakPolarHBondContact CA-O 3.31Å; I1354-I1379 HydrophobicContact CG1-CG1 4.35Å
1355	Q	82.7	Confident	72.3	Confident	40.8 Å²	40.8	67.8 Å²	67.8	19%	0.191	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.9	176	-111.6	178.5	-14.6	0	0	108	E1343 F1344 T1345 I1353 I1377 Y1378 H1381	E1343-Q1355 HydrophobicContact CG-CG 4.41Å; E1343-Q1355 PolarHBondContact OE1-NE2 2.75Å; F1344-Q1355 CarbonylContact O-C 3.14Å; F1344-Q1355 WeakPolarHBondContact O-CA 3.28Å; T1345-Q1355 HydrophobicContact CG2-CB 4.11Å; T1345-Q1355 HydrophobicContact CG2-CG 3.8Å; T1345-Q1355 VanDerWaalsContact CG2-CG 3.45Å; I1353-Q1355 HydrophobicContact CG2-CB 4.49Å; I1353-Q1355 HydrophobicContact CG2-CG 3.65Å; Q1355-I1377 CarbonylContact O-C 3.37Å; Q1355-I1377 WeakPolarHBondContact O-CA 3.33Å; Q1355-Y1378 HydrophobicContact CB-CD2 4.43Å; Q1355-Y1378 HydrophobicContact CG-CD2 4.26Å; Q1355-Y1378 HydrophobicContact CG-CG 4.47Å; Q1355-Y1378 PolarHBondContact N-O 3.11Å; Q1355-Y1378 WeakPolarHBondContact O-CB 3.23Å; Q1355-Y1378 WeakPolarHBondContact O-CD2 3.46Å; Q1355-Y1378 PolarHBondContact O-N 3.16Å; Q1355-H1381 PolarHBondContact OE1-ND1 2.98Å; Q1355-H1381 VanDerWaalsContact OE1-ND1 3.13Å
1356	I	82.3	Confident	70.8	Confident	44.6 Å²	44.6	74.4 Å²	74.4	23%	0.229	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108.3	177.2	-54.1	176.5	0	0	0	106.8	E1343 F1344 F1346 I1354 T1358 H1375 V1376 I1377	E1343-I1356 CarbonylContact C-O 3.37Å; E1343-I1356 VanDerWaalsContact CA-O 3.24Å; E1343-I1356 WeakPolarHBondContact CA-O 3.3Å; F1344-I1356 HydrophobicContact CB-CB 4.39Å; F1344-I1356 HydrophobicContact CD1-CD1 4.41Å; F1344-I1356 PolarHBondContact N-O 2.86Å; F1344-I1356 PolarHBondContact O-N 2.9Å; F1346-I1356 HydrophobicContact CE2-CD1 4.38Å; I1354-I1356 HydrophobicContact CG2-CD1 4.32Å; I1354-I1356 HydrophobicContact CG2-CG1 4.05Å; I1356-T1358 HydrophobicContact CG2-CG2 3.75Å; I1356-H1375 HydrophobicContact CG2-CB 4.21Å; I1356-V1376 CarbonylContact C-O 3.51Å; I1356-V1376 WeakPolarHBondContact CA-O 3.08Å; I1356-I1377 HydrophobicContact CD1-CG1 4.5Å; I1356-I1377 HydrophobicContact CG1-CG1 4.33Å; I1356-I1377 HydrophobicContact CG1-CG2 4.36Å; I1356-I1377 HydrophobicContact CG2-CG1 4.32Å
1357	L	84	Confident	69.4	Low	31.8 Å²	31.8	75.5 Å²	75.5	17%	0.166	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.6	175.6	-167.4	112.8	0	0	0	108.5	Q1341 E1343 I1359 H1375 V1376 Y1378	Q1341-L1357 HydrophobicContact CG-CD1 3.86Å; Q1341-L1357 HydrophobicContact CG-CD2 4.25Å; Q1341-L1357 HydrophobicContact CG-CG 4.14Å; Q1341-L1357 VanDerWaalsContact NE2-CD1 3.28Å; E1343-L1357 HydrophobicContact CB-CD1 4.31Å; E1343-L1357 HydrophobicContact CG-CB 4.45Å; E1343-L1357 HydrophobicContact CG-CD1 4.37Å; L1357-I1359 HydrophobicContact CD2-CD1 4.23Å; L1357-I1359 HydrophobicContact CD2-CG1 4.08Å; L1357-H1375 CarbonylContact O-C 3.5Å; L1357-H1375 WeakPolarHBondContact O-CA 2.81Å; L1357-V1376 HydrophobicContact CB-CB 4.33Å; L1357-V1376 PolarHBondContact N-O 3.03Å; L1357-V1376 WeakPolarHBondContact O-CB 3.19Å; L1357-V1376 PolarHBondContact O-N 2.92Å; L1357-Y1378 HydrophobicContact CB-CE2 4.36Å
1358	T	83	Confident	68.2	Low	14.4 Å²	14.4	76.7 Å²	76.7	9%	0.088	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.1	-179.1	27.4	0	0	0	0	109.8	Q1341 H1342 I1356 L1373 D1374 H1375	Q1341-T1358 CarbonylContact C-O 3.57Å; Q1341-T1358 VanDerWaalsContact CA-O 3.22Å; Q1341-T1358 WeakPolarHBondContact CA-O 3.22Å; H1342-T1358 WeakPolarHBondContact CB-OG1 3.12Å; H1342-T1358 PolarHBondContact N-O 2.93Å; H1342-T1358 VanDerWaalsContact O-CB 3.27Å; H1342-T1358 WeakPolarHBondContact O-CB 3.17Å; H1342-T1358 PolarHBondContact O-N 2.88Å; H1342-T1358 PolarHBondContact O-OG1 3.15Å; H1342-T1358 VanDerWaalsContact O-OG1 3.08Å; I1356-T1358 HydrophobicContact CG2-CG2 3.75Å; T1358-L1373 HydrophobicContact CG2-CB 4.06Å; T1358-L1373 HydrophobicContact CG2-CD2 4.3Å; T1358-D1374 CarbonylContact C-O 3.44Å; T1358-D1374 VanDerWaalsContact CA-O 3.29Å; T1358-D1374 WeakPolarHBondContact CA-O 3.37Å; T1358-H1375 HydrophobicContact CG2-CB 4.32Å; T1358-H1375 WeakPolarHBondContact CG2-CE1 3.38Å; T1358-H1375 VanDerWaalsContact CG2-ND1 3.31Å; T1358-H1375 WeakPolarHBondContact CG2-ND1 3.34Å; T1358-H1375 PolarHBondContact OG1-ND1 2.8Å
1359	I	82.1	Confident	67.7	Low	62.6 Å²	62.6	75.4 Å²	75.4	32%	0.321	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.7	172.2	-53.7	173.3	0	0	0	107.3	N1340 Q1341 L1357 L1373 D1374	N1340-I1359 HydrophobicContact CB-CG2 4.5Å; N1340-I1359 CarbonylContact O-C 3.54Å; N1340-I1359 VanDerWaalsContact O-C 3.24Å; N1340-I1359 VanDerWaalsContact O-CA 3.28Å; N1340-I1359 WeakPolarHBondContact O-CA 3.35Å; N1340-I1359 WeakPolarHBondContact O-CG2 2.93Å; Q1341-I1359 HydrophobicContact CG-CB 4.41Å; Q1341-I1359 HydrophobicContact CG-CG1 4.22Å; Q1341-I1359 HydrophobicContact CG-CG2 4.23Å; L1357-I1359 HydrophobicContact CD2-CD1 4.23Å; L1357-I1359 HydrophobicContact CD2-CG1 4.08Å; I1359-L1373 CarbonylContact O-C 3.5Å; I1359-L1373 WeakPolarHBondContact O-CA 3.19Å; I1359-D1374 HydrophobicContact CB-CB 4.3Å; I1359-D1374 HydrophobicContact CG1-CB 4.42Å; I1359-D1374 PolarHBondContact N-O 3Å; I1359-D1374 VanDerWaalsContact N-O 3.12Å; I1359-D1374 PolarHBondContact O-N 2.86Å; I1359-D1374 VanDerWaalsContact O-N 3.11Å
1360	Y	76.8	Confident	68	Low	46.4 Å²	46.4	74.6 Å²	74.6	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	114.4	-177.1	62.1	-91.9	0	0	0	111.9	L1335 P1337 N1340 Q1341 H1342 I1362 T1372 L1373	L1335-Y1360 HydrophobicContact CD1-CE1 3.83Å; L1335-Y1360 VanDerWaalsContact CD1-CE1 3.49Å; L1335-Y1360 VanDerWaalsContact CD1-OH 3.27Å; L1335-Y1360 WeakPolarHBondContact CD1-OH 3.21Å; L1335-Y1360 HydrophobicContact CD2-CE1 4.25Å; P1337-Y1360 VanDerWaalsContact CA-OH 3.27Å; P1337-Y1360 WeakPolarHBondContact CA-OH 3.24Å; N1340-Y1360 VanDerWaalsContact C-CD1 3.45Å; N1340-Y1360 VanDerWaalsContact CA-CZ 3.49Å; N1340-Y1360 HydrophobicContact CB-CD1 4.44Å; N1340-Y1360 HydrophobicContact CB-CD2 4.1Å; N1340-Y1360 HydrophobicContact CB-CE1 4.42Å; N1340-Y1360 HydrophobicContact CB-CE2 3.91Å; N1340-Y1360 HydrophobicContact CB-CG 4.13Å; N1340-Y1360 VanDerWaalsContact CB-O 3.27Å; N1340-Y1360 WeakPolarHBondContact CB-O 3.34Å; N1340-Y1360 PolarHBondContact ND2-O 2.99Å; N1340-Y1360 VanDerWaalsContact O-CD1 3.29Å; N1340-Y1360 WeakPolarHBondContact O-CD1 3.41Å; N1340-Y1360 VanDerWaalsContact O-CE1 3.32Å; N1340-Y1360 WeakPolarHBondContact O-CE1 3.41Å; N1340-Y1360 PolarHBondContact O-N 3.14Å; N1340-Y1360 PolarHBondContact OD1-O 2.86Å; Q1341-Y1360 VanDerWaalsContact C-CE1 3.47Å; Q1341-Y1360 VanDerWaalsContact N-CE1 3.3Å; Q1341-Y1360 WeakPolarHBondContact O-CE1 3.41Å; H1342-Y1360 HydrophobicContact CB-CD1 4.4Å; H1342-Y1360 HydrophobicContact CB-CE1 4.31Å; Y1360-I1362 HydrophobicContact CD2-CD1 4.47Å; Y1360-I1362 HydrophobicContact CD2-CG1 4.32Å; Y1360-I1362 HydrophobicContact CE2-CD1 4.27Å; Y1360-I1362 HydrophobicContact CE2-CG1 4.41Å; Y1360-I1362 PolarHBondContact O-N 2.79Å; Y1360-T1372 CarbonylContact C-O 3.46Å; Y1360-T1372 VanDerWaalsContact CA-O 3.25Å; Y1360-T1372 WeakPolarHBondContact CA-O 3.34Å; Y1360-T1372 WeakPolarHBondContact CB-O 3.19Å; Y1360-L1373 VanDerWaalsContact CB-CD2 3.46Å
1361	D	73.4	Confident	68.5	Low	73.4 Å²	73.4	70.7 Å²	70.7	39%	0.393	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.2	171.2	-67.2	-41.5	0	0	0	109.8	N1340 I1363 I1371 T1372	N1340-D1361 WeakPolarHBondContact ND2-CA 3.43Å; N1340-D1361 PolarHBondContact ND2-OD1 2.91Å; D1361-I1363 HydrophobicContact CB-CG1 4.3Å; D1361-I1371 CarbonylContact O-C 3.38Å; D1361-I1371 WeakPolarHBondContact O-CA 3.3Å; D1361-T1372 WeakPolarHBondContact CA-OG1 3.36Å; D1361-T1372 HydrophobicContact CB-CG2 4.13Å; D1361-T1372 WeakPolarHBondContact CB-OG1 3.36Å; D1361-T1372 PolarHBondContact N-O 3.12Å; D1361-T1372 VanDerWaalsContact N-O 3.1Å; D1361-T1372 PolarHBondContact N-OG1 2.75Å; D1361-T1372 PolarHBondContact O-N 2.96Å; D1361-T1372 PolarHBondContact O-OG1 2.96Å; D1361-T1372 PolarHBondContact OD2-OG1 2.85Å
1362	I	64.2	Low	69.4	Low	112.4 Å²	112.4	64.6 Å²	64.6	58%	0.576	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.8	169.5	-56.1	175.8	0	0	0	105.9	Y1360 P1364 G1370 I1371	Y1360-I1362 HydrophobicContact CD2-CD1 4.47Å; Y1360-I1362 HydrophobicContact CD2-CG1 4.32Å; Y1360-I1362 HydrophobicContact CE2-CD1 4.27Å; Y1360-I1362 HydrophobicContact CE2-CG1 4.41Å; Y1360-I1362 PolarHBondContact O-N 2.79Å; I1362-P1364 VanDerWaalsContact O-CD 3.25Å; I1362-P1364 WeakPolarHBondContact O-CD 3.37Å; I1362-G1370 CarbonylContact C-O 3.46Å; I1362-G1370 WeakPolarHBondContact CA-O 3.16Å; I1362-G1370 VanDerWaalsContact CG2-O 3.23Å; I1362-G1370 WeakPolarHBondContact CG2-O 3.46Å; I1362-I1371 HydrophobicContact CG1-CD1 4.49Å; I1362-I1371 HydrophobicContact CG1-CG1 4.35Å; I1362-I1371 HydrophobicContact CG2-CG1 4.5Å
1363	I	59.5	Low	70	Confident	63.4 Å²	63.4	62.6 Å²	62.6	33%	0.325	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	97.6	-177.9	-55.4	176.1	0	0	0	108.3	D1361 I1365 S1369 G1370 T1372 M1392	D1361-I1363 HydrophobicContact CB-CG1 4.3Å; I1363-I1365 HydrophobicContact CG2-CB 4.21Å; I1363-I1365 HydrophobicContact CG2-CD1 3.61Å; I1363-I1365 VanDerWaalsContact CG2-CD1 3.46Å; I1363-I1365 HydrophobicContact CG2-CG1 3.72Å; I1363-I1365 VanDerWaalsContact CG2-CG1 3.5Å; I1363-I1365 PolarHBondContact O-N 2.65Å; I1363-S1369 CarbonylContact O-C 3.58Å; I1363-S1369 WeakPolarHBondContact O-CA 3.41Å; I1363-G1370 PolarHBondContact N-O 3.14Å; I1363-G1370 PolarHBondContact O-N 2.92Å; I1363-T1372 HydrophobicContact CD1-CG2 4.16Å; I1363-T1372 HydrophobicContact CG1-CG2 4.45Å; I1363-M1392 HydrophobicContact CB-CE 4.4Å; I1363-M1392 HydrophobicContact CD1-CE 4.42Å; I1363-M1392 HydrophobicContact CD1-SD 4.48Å; I1363-M1392 HydrophobicContact CG2-CE 4.17Å
1364	P	49.6	Very low	70.3	Confident	108 Å²	108	63.3 Å²	63.3	70%	0.701	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	94.2	164	34.5	-27	0	0	0	108.4	I1362 Y1368	I1362-P1364 VanDerWaalsContact O-CD 3.25Å; I1362-P1364 WeakPolarHBondContact O-CD 3.37Å; P1364-Y1368 WeakPolarHBondContact CA-O 3.27Å
1365	I	46.6	Very low	70.6	Confident	109.4 Å²	109.4	62.8 Å²	62.8	56%	0.561	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.2	167.7	-62.8	170.9	0	0	0	105.8	I1363 L1367 Y1368	I1363-I1365 HydrophobicContact CG2-CB 4.21Å; I1363-I1365 HydrophobicContact CG2-CD1 3.61Å; I1363-I1365 VanDerWaalsContact CG2-CD1 3.46Å; I1363-I1365 HydrophobicContact CG2-CG1 3.72Å; I1363-I1365 VanDerWaalsContact CG2-CG1 3.5Å; I1363-I1365 PolarHBondContact O-N 2.65Å; I1365-L1367 VanDerWaalsContact C-N 3.25Å; I1365-L1367 PolarHBondContact O-N 3.09Å; I1365-Y1368 HydrophobicContact CB-CD2 4.42Å; I1365-Y1368 HydrophobicContact CG2-CD2 4.47Å; I1365-Y1368 PolarHBondContact N-O 3.06Å; I1365-Y1368 VanDerWaalsContact N-O 3.12Å; I1365-Y1368 CarbonylContact O-C 3.47Å; I1365-Y1368 VanDerWaalsContact O-C 3.26Å; I1365-Y1368 PolarHBondContact O-N 2.96Å
1366	D	52.2	Low	70.7	Confident	156.8 Å²	156.8	61.5 Å²	61.5	84%	0.839	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35.9	-28.3	-167.8	-61.3	-40.5	0	0	0	117.2	Y1368	D1366-Y1368 VanDerWaalsContact C-N 3.33Å
1367	L	52.4	Low	70.7	Confident	91.2 Å²	91.2	60.8 Å²	60.8	48%	0.477	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-15.4	177.4	-60.3	169.7	0	0	0	114.1	I1365 K1394 L1395 D1396	I1365-L1367 VanDerWaalsContact C-N 3.25Å; I1365-L1367 PolarHBondContact O-N 3.09Å; L1367-K1394 VanDerWaalsContact O-CA 3.26Å; L1367-K1394 WeakPolarHBondContact O-CA 3.41Å; L1367-K1394 VanDerWaalsContact O-CG 3.25Å; L1367-K1394 WeakPolarHBondContact O-CG 3.28Å; L1367-L1395 PolarHBondContact O-N 3.18Å; L1367-L1395 VanDerWaalsContact O-N 3.08Å; L1367-D1396 WeakPolarHBondContact CB-OD2 3.13Å; L1367-D1396 WeakPolarHBondContact CD2-OD1 3.43Å; L1367-D1396 VanDerWaalsContact CD2-OD2 3.26Å; L1367-D1396 WeakPolarHBondContact CD2-OD2 3.42Å
1368	Y	55.2	Low	70.6	Confident	85.4 Å²	85.4	62.2 Å²	62.2	34%	0.335	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123.9	-173.8	-56.2	-84	0	0	0	111.5	P1364 I1365 D1366 G1370 M1392 F1393 K1394	P1364-Y1368 WeakPolarHBondContact CA-O 3.27Å; I1365-Y1368 HydrophobicContact CB-CD2 4.42Å; I1365-Y1368 HydrophobicContact CG2-CD2 4.47Å; I1365-Y1368 PolarHBondContact N-O 3.06Å; I1365-Y1368 VanDerWaalsContact N-O 3.12Å; I1365-Y1368 CarbonylContact O-C 3.47Å; I1365-Y1368 VanDerWaalsContact O-C 3.26Å; I1365-Y1368 PolarHBondContact O-N 2.96Å; D1366-Y1368 VanDerWaalsContact C-N 3.33Å; Y1368-G1370 PolarHBondContact O-N 2.79Å; Y1368-M1392 HydrophobicContact CD1-CB 4.44Å; Y1368-M1392 HydrophobicContact CD1-CE 3.9Å; Y1368-M1392 VanDerWaalsContact CD1-CE 3.46Å; Y1368-M1392 HydrophobicContact CD2-CE 4.37Å; Y1368-M1392 HydrophobicContact CE1-CE 4.08Å; Y1368-M1392 HydrophobicContact CG-CE 4.08Å; Y1368-F1393 CarbonylContact C-O 3.5Å; Y1368-F1393 WeakPolarHBondContact CA-O 3.49Å; Y1368-K1394 HydrophobicContact CD1-CB 4.13Å; Y1368-K1394 HydrophobicContact CD1-CD 4.3Å; Y1368-K1394 HydrophobicContact CD1-CG 3.8Å; Y1368-K1394 HydrophobicContact CE1-CB 4.17Å; Y1368-K1394 HydrophobicContact CE1-CD 4Å; Y1368-K1394 HydrophobicContact CE1-CG 3.71Å; Y1368-K1394 VanDerWaalsContact CE1-CG 3.46Å; Y1368-K1394 HydrophobicContact CG-CG 4.49Å; Y1368-K1394 WeakPolarHBondContact OH-CE 3.3Å; Y1368-K1394 PolarHBondContact OH-NZ 2.93Å
1369	S	63.5	Low	70.2	Confident	56.4 Å²	56.4	64.1 Å²	64.1	39%	0.394	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.3	163	79.7	0	0	0	0	108.9	I1363 M1392 F1393 N1778	I1363-S1369 CarbonylContact O-C 3.58Å; I1363-S1369 WeakPolarHBondContact O-CA 3.41Å; S1369-M1392 WeakPolarHBondContact O-CA 3.14Å; S1369-F1393 PolarHBondContact N-O 3.12Å; S1369-F1393 VanDerWaalsContact N-O 3.1Å; S1369-F1393 PolarHBondContact O-N 3.25Å; S1369-F1393 PolarHBondContact OG-O 2.67Å; S1369-N1778 PolarHBondContact OG-ND2 2.74Å
1370	G	71.1	Confident	69.9	Low	12.8 Å²	12.8	64 Å²	64	13%	0.132	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	161.6	-178.3	0	0	0	0	0	115	I1362 I1363 Y1368 I1391	I1362-G1370 CarbonylContact C-O 3.46Å; I1362-G1370 WeakPolarHBondContact CA-O 3.16Å; I1362-G1370 VanDerWaalsContact CG2-O 3.23Å; I1362-G1370 WeakPolarHBondContact CG2-O 3.46Å; I1363-G1370 PolarHBondContact N-O 3.14Å; I1363-G1370 PolarHBondContact O-N 2.92Å; Y1368-G1370 PolarHBondContact O-N 2.79Å; G1370-I1391 CarbonylContact C-O 3.49Å; G1370-I1391 VanDerWaalsContact C-O 3.25Å; G1370-I1391 WeakPolarHBondContact CA-O 3.28Å
1371	I	77.1	Confident	69.8	Low	66.6 Å²	66.6	67.5 Å²	67.5	34%	0.342	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.9	174.9	-101.6	172.3	0	0	0	107.9	D1361 I1362 L1373 Q1390 I1391	D1361-I1371 CarbonylContact O-C 3.38Å; D1361-I1371 WeakPolarHBondContact O-CA 3.3Å; I1362-I1371 HydrophobicContact CG1-CD1 4.49Å; I1362-I1371 HydrophobicContact CG1-CG1 4.35Å; I1362-I1371 HydrophobicContact CG2-CG1 4.5Å; I1371-L1373 HydrophobicContact CD1-CD2 4.26Å; I1371-L1373 HydrophobicContact CG1-CD2 4.29Å; I1371-L1373 HydrophobicContact CG1-CG 4.43Å; I1371-L1373 HydrophobicContact CG2-CD1 4.36Å; I1371-L1373 HydrophobicContact CG2-CD2 3.87Å; I1371-L1373 HydrophobicContact CG2-CG 4.07Å; I1371-Q1390 WeakPolarHBondContact O-CA 3.22Å; I1371-I1391 HydrophobicContact CG2-CB 4.23Å; I1371-I1391 PolarHBondContact N-O 2.91Å; I1371-I1391 VanDerWaalsContact N-O 3.09Å; I1371-I1391 WeakPolarHBondContact O-CB 3.17Å; I1371-I1391 PolarHBondContact O-N 3.06Å; I1371-I1391 VanDerWaalsContact O-N 3.12Å
1372	T	77.3	Confident	69.7	Low	14 Å²	14	71.5 Å²	71.5	9%	0.086	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.1	170.4	63	0	0	0	0	109.3	Y1360 D1361 I1363 N1389 Q1390	Y1360-T1372 CarbonylContact C-O 3.46Å; Y1360-T1372 VanDerWaalsContact CA-O 3.25Å; Y1360-T1372 WeakPolarHBondContact CA-O 3.34Å; Y1360-T1372 WeakPolarHBondContact CB-O 3.19Å; D1361-T1372 WeakPolarHBondContact CA-OG1 3.36Å; D1361-T1372 HydrophobicContact CB-CG2 4.13Å; D1361-T1372 WeakPolarHBondContact CB-OG1 3.36Å; D1361-T1372 PolarHBondContact N-O 3.12Å; D1361-T1372 VanDerWaalsContact N-O 3.1Å; D1361-T1372 PolarHBondContact N-OG1 2.75Å; D1361-T1372 PolarHBondContact O-N 2.96Å; D1361-T1372 PolarHBondContact O-OG1 2.96Å; D1361-T1372 PolarHBondContact OD2-OG1 2.85Å; I1363-T1372 HydrophobicContact CD1-CG2 4.16Å; I1363-T1372 HydrophobicContact CG1-CG2 4.45Å; T1372-N1389 CarbonylContact C-O 3.53Å; T1372-N1389 WeakPolarHBondContact CA-O 3.43Å; T1372-N1389 WeakPolarHBondContact CB-O 3.49Å; T1372-Q1390 HydrophobicContact CG2-CB 4.24Å; T1372-Q1390 HydrophobicContact CG2-CG 3.84Å
1373	L	81.3	Confident	70.1	Confident	50.4 Å²	50.4	69.9 Å²	69.9	26%	0.264	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	106.6	176.3	-55.9	171.6	0	0	0	108.8	T1358 I1359 Y1360 I1371 H1375 K1388 N1389	T1358-L1373 HydrophobicContact CG2-CB 4.06Å; T1358-L1373 HydrophobicContact CG2-CD2 4.3Å; I1359-L1373 CarbonylContact O-C 3.5Å; I1359-L1373 WeakPolarHBondContact O-CA 3.19Å; Y1360-L1373 VanDerWaalsContact CB-CD2 3.46Å; I1371-L1373 HydrophobicContact CD1-CD2 4.26Å; I1371-L1373 HydrophobicContact CG1-CD2 4.29Å; I1371-L1373 HydrophobicContact CG1-CG 4.43Å; I1371-L1373 HydrophobicContact CG2-CD1 4.36Å; I1371-L1373 HydrophobicContact CG2-CD2 3.87Å; I1371-L1373 HydrophobicContact CG2-CG 4.07Å; L1373-H1375 WeakPolarHBondContact CB-NE2 3.13Å; L1373-K1388 CarbonylContact O-C 3.14Å; L1373-N1389 HydrophobicContact CB-CB 4.22Å; L1373-N1389 HydrophobicContact CD1-CB 4.19Å; L1373-N1389 HydrophobicContact CG-CB 4.38Å; L1373-N1389 PolarHBondContact N-O 3.09Å; L1373-N1389 PolarHBondContact O-N 3.06Å; L1373-N1389 PolarHBondContact O-ND2 2.88Å
1374	D	83.3	Confident	70.6	Confident	40.2 Å²	40.2	71.2 Å²	71.2	22%	0.215	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	99.3	174.6	-82.9	7.3	0	0	0	109.1	T1358 I1359 V1376 I1386 I1387 K1388	T1358-D1374 CarbonylContact C-O 3.44Å; T1358-D1374 VanDerWaalsContact CA-O 3.29Å; T1358-D1374 WeakPolarHBondContact CA-O 3.37Å; I1359-D1374 HydrophobicContact CB-CB 4.3Å; I1359-D1374 HydrophobicContact CG1-CB 4.42Å; I1359-D1374 PolarHBondContact N-O 3Å; I1359-D1374 VanDerWaalsContact N-O 3.12Å; I1359-D1374 PolarHBondContact O-N 2.86Å; I1359-D1374 VanDerWaalsContact O-N 3.11Å; D1374-V1376 PolarHBondContact O-N 3.32Å; D1374-V1376 VanDerWaalsContact O-N 3.1Å; D1374-I1386 HydrophobicContact CB-CG2 4.41Å; D1374-I1387 CarbonylContact C-O 3.35Å; D1374-I1387 VanDerWaalsContact CA-O 3.22Å; D1374-I1387 WeakPolarHBondContact CA-O 3.4Å; D1374-K1388 VanDerWaalsContact OD1-CA 3.27Å; D1374-K1388 WeakPolarHBondContact OD1-CA 3.39Å; D1374-K1388 WeakPolarHBondContact OD1-CB 3.31Å; D1374-K1388 WeakPolarHBondContact OD1-CD 3.38Å; D1374-K1388 WeakPolarHBondContact OD1-CE 3.44Å; D1374-K1388 VanDerWaalsContact OD1-CG 3.26Å; D1374-K1388 WeakPolarHBondContact OD1-CG 3.34Å; D1374-K1388 IonicContact OD1-NZ 3.45Å; D1374-K1388 PolarHBondContact OD1-NZ 2.91Å; D1374-K1388 VanDerWaalsContact OD2-CE 3.31Å; D1374-K1388 WeakPolarHBondContact OD2-CE 3.32Å; D1374-K1388 IonicContact OD2-NZ 2.72Å; D1374-K1388 PolarHBondContact OD2-NZ 2.71Å
1375	H	85.5	Confident	71.8	Confident	38 Å²	38	68.9 Å²	68.9	18%	0.176	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	111.6	177	-46.1	-86.3	0	0	0	110.3	I1356 L1357 T1358 L1373 I1386 I1387 N1389	I1356-H1375 HydrophobicContact CG2-CB 4.21Å; L1357-H1375 CarbonylContact O-C 3.5Å; L1357-H1375 WeakPolarHBondContact O-CA 2.81Å; T1358-H1375 HydrophobicContact CG2-CB 4.32Å; T1358-H1375 WeakPolarHBondContact CG2-CE1 3.38Å; T1358-H1375 VanDerWaalsContact CG2-ND1 3.31Å; T1358-H1375 WeakPolarHBondContact CG2-ND1 3.34Å; T1358-H1375 PolarHBondContact OG1-ND1 2.8Å; L1373-H1375 WeakPolarHBondContact CB-NE2 3.13Å; H1375-I1386 CarbonylContact O-C 3.51Å; H1375-I1386 VanDerWaalsContact O-C 3.31Å; H1375-I1386 VanDerWaalsContact O-CA 3.3Å; H1375-I1386 WeakPolarHBondContact O-CA 3.45Å; H1375-I1387 HydrophobicContact CB-CB 4.15Å; H1375-I1387 HydrophobicContact CB-CG1 4.4Å; H1375-I1387 PolarHBondContact CD2-O 2.78Å; H1375-I1387 VanDerWaalsContact CD2-O 3.3Å; H1375-I1387 PolarHBondContact N-O 3.1Å; H1375-I1387 PolarHBondContact O-N 3.03Å; H1375-N1389 PolarHBondContact CD2-ND2 3.11Å; H1375-N1389 VanDerWaalsContact CD2-ND2 3.35Å; H1375-N1389 PolarHBondContact NE2-ND2 3.09Å; H1375-N1389 VanDerWaalsContact NE2-ND2 3.13Å
1376	V	84.6	Confident	73.4	Confident	14 Å²	14	64.6 Å²	64.6	9%	0.085	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.1	171.4	-173.6	0	0	0	0	108.8	I1356 L1357 D1374 Y1378 K1383 F1385 I1386	I1356-V1376 CarbonylContact C-O 3.51Å; I1356-V1376 WeakPolarHBondContact CA-O 3.08Å; L1357-V1376 HydrophobicContact CB-CB 4.33Å; L1357-V1376 PolarHBondContact N-O 3.03Å; L1357-V1376 WeakPolarHBondContact O-CB 3.19Å; L1357-V1376 PolarHBondContact O-N 2.92Å; D1374-V1376 PolarHBondContact O-N 3.32Å; D1374-V1376 VanDerWaalsContact O-N 3.1Å; V1376-Y1378 HydrophobicContact CB-CE2 4.04Å; V1376-Y1378 HydrophobicContact CG1-CD2 4.04Å; V1376-Y1378 HydrophobicContact CG1-CE2 3.4Å; V1376-Y1378 VanDerWaalsContact CG1-CE2 3.4Å; V1376-Y1378 WeakPolarHBondContact O-CD2 3.16Å; V1376-K1383 HydrophobicContact CG1-CD 4.08Å; V1376-K1383 VanDerWaalsContact CG1-CE 3.43Å; V1376-K1383 HydrophobicContact CG1-CG 3.81Å; V1376-F1385 CarbonylContact C-O 3.49Å; V1376-F1385 WeakPolarHBondContact CA-O 3.34Å; V1376-I1386 HydrophobicContact CG2-CG1 4.37Å; V1376-I1386 HydrophobicContact CG2-CG2 4.19Å
1377	I	82	Confident	74.6	Confident	29.6 Å²	29.6	59 Å²	59	15%	0.152	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.5	-179.5	-54.2	178.8	0	0	0	109.2	I1354 Q1355 I1356 I1379 Y1384 F1385 I1387	I1354-I1377 HydrophobicContact CG2-CG2 4.3Å; Q1355-I1377 CarbonylContact O-C 3.37Å; Q1355-I1377 WeakPolarHBondContact O-CA 3.33Å; I1356-I1377 HydrophobicContact CD1-CG1 4.5Å; I1356-I1377 HydrophobicContact CG1-CG1 4.33Å; I1356-I1377 HydrophobicContact CG1-CG2 4.36Å; I1356-I1377 HydrophobicContact CG2-CG1 4.32Å; I1377-I1379 HydrophobicContact CG2-CG1 4.4Å; I1377-Y1384 WeakPolarHBondContact O-CA 3.2Å; I1377-Y1384 WeakPolarHBondContact O-CB 3.49Å; I1377-Y1384 PolarHBondContact O-N 3.07Å; I1377-Y1384 VanDerWaalsContact O-N 3.11Å; I1377-F1385 HydrophobicContact CB-CB 4.2Å; I1377-F1385 HydrophobicContact CB-CD2 4.19Å; I1377-F1385 HydrophobicContact CD1-CB 4.29Å; I1377-F1385 HydrophobicContact CD1-CD2 4.4Å; I1377-F1385 HydrophobicContact CG1-CB 4.44Å; I1377-F1385 HydrophobicContact CG2-CD2 4.41Å; I1377-F1385 PolarHBondContact N-O 2.87Å; I1377-F1385 VanDerWaalsContact N-O 3.15Å; I1377-F1385 PolarHBondContact O-N 2.96Å; I1377-I1387 HydrophobicContact CD1-CD1 3.8Å; I1377-I1387 HydrophobicContact CD1-CG1 4.32Å
1378	Y	81.5	Confident	76	Confident	61.4 Å²	61.4	57.4 Å²	57.4	24%	0.241	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.6	171.4	-61.8	-100.1	0	0	0	109.7	I1354 Q1355 L1357 V1376 H1381 Y1382 K1383	I1354-Y1378 WeakPolarHBondContact CA-O 3.31Å; Q1355-Y1378 HydrophobicContact CB-CD2 4.43Å; Q1355-Y1378 HydrophobicContact CG-CD2 4.26Å; Q1355-Y1378 HydrophobicContact CG-CG 4.47Å; Q1355-Y1378 PolarHBondContact N-O 3.11Å; Q1355-Y1378 WeakPolarHBondContact O-CB 3.23Å; Q1355-Y1378 WeakPolarHBondContact O-CD2 3.46Å; Q1355-Y1378 PolarHBondContact O-N 3.16Å; L1357-Y1378 HydrophobicContact CB-CE2 4.36Å; V1376-Y1378 HydrophobicContact CB-CE2 4.04Å; V1376-Y1378 HydrophobicContact CG1-CD2 4.04Å; V1376-Y1378 HydrophobicContact CG1-CE2 3.4Å; V1376-Y1378 VanDerWaalsContact CG1-CE2 3.4Å; V1376-Y1378 WeakPolarHBondContact O-CD2 3.16Å; Y1378-H1381 WeakPolarHBondContact CD1-O 3.45Å; Y1378-Y1382 CarbonylContact C-O 3.41Å; Y1378-Y1382 VanDerWaalsContact CA-O 3.26Å; Y1378-Y1382 WeakPolarHBondContact CA-O 3.27Å; Y1378-K1383 HydrophobicContact CD1-CB 4.1Å; Y1378-K1383 HydrophobicContact CD1-CG 3.79Å; Y1378-K1383 HydrophobicContact CE1-CB 3.8Å; Y1378-K1383 HydrophobicContact CE1-CD 4.15Å; Y1378-K1383 HydrophobicContact CE1-CG 3.94Å; Y1378-K1383 HydrophobicContact CE2-CG 4.35Å; Y1378-K1383 HydrophobicContact CG-CG 4.33Å; Y1378-K1383 WeakPolarHBondContact OH-CE 3.47Å
1379	I	75.7	Confident	77.1	Confident	53.2 Å²	53.2	55 Å²	55	27%	0.273	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.1	170	-55.5	177.4	0	0	0	106.8	I1353 I1354 I1377 H1381 Y1382 Y1384 F1385	I1353-I1379 CarbonylContact O-C 3.42Å; I1353-I1379 WeakPolarHBondContact O-CA 3.22Å; I1354-I1379 HydrophobicContact CG1-CG1 4.35Å; I1377-I1379 HydrophobicContact CG2-CG1 4.4Å; I1379-H1381 VanDerWaalsContact C-N 3.27Å; I1379-H1381 PolarHBondContact O-N 3.04Å; I1379-Y1382 PolarHBondContact N-O 2.95Å; I1379-Y1382 WeakPolarHBondContact O-CB 3.27Å; I1379-Y1382 PolarHBondContact O-N 3.01Å; I1379-Y1384 HydrophobicContact CB-CD2 3.99Å; I1379-Y1384 HydrophobicContact CB-CE2 4.36Å; I1379-Y1384 HydrophobicContact CB-CG 4.44Å; I1379-Y1384 HydrophobicContact CD1-CD1 4.1Å; I1379-Y1384 HydrophobicContact CD1-CD2 4.09Å; I1379-Y1384 HydrophobicContact CD1-CE1 4.27Å; I1379-Y1384 HydrophobicContact CD1-CE2 4.37Å; I1379-Y1384 HydrophobicContact CD1-CG 3.89Å; I1379-Y1384 HydrophobicContact CG1-CD2 4.21Å; I1379-Y1384 HydrophobicContact CG1-CG 4.2Å; I1379-F1385 HydrophobicContact CD1-CE2 4.41Å
1380	N	75.6	Confident	77.8	Confident	61.4 Å²	61.4	54.7 Å²	54.7	33%	0.328	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	43.1	-175.7	-56	-6.7	0	0	0	112.3	Q1352 I1353 Y1382	Q1352-N1380 VanDerWaalsContact CA-OD1 3.26Å; Q1352-N1380 WeakPolarHBondContact CA-OD1 3.29Å; Q1352-N1380 VanDerWaalsContact CB-OD1 3.32Å; Q1352-N1380 WeakPolarHBondContact CB-OD1 3.39Å; I1353-N1380 PolarHBondContact N-OD1 2.95Å; I1353-N1380 VanDerWaalsContact N-OD1 3.1Å; I1353-N1380 PolarHBondContact O-N 2.99Å; N1380-Y1382 HydrophobicContact CB-CD2 4.39Å; N1380-Y1382 VanDerWaalsContact O-CD2 3.25Å; N1380-Y1382 WeakPolarHBondContact O-CD2 3.35Å; N1380-Y1382 PolarHBondContact O-N 3.03Å; N1380-Y1382 VanDerWaalsContact O-N 3.14Å
1381	H	73.3	Confident	78	Confident	119.2 Å²	119.2	57.2 Å²	57.2	55%	0.552	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	3.6	-174.8	-48.5	-42.2	0	0	0	116.2	Q1355 Y1378 I1379	Q1355-H1381 PolarHBondContact OE1-ND1 2.98Å; Q1355-H1381 VanDerWaalsContact OE1-ND1 3.13Å; Y1378-H1381 WeakPolarHBondContact CD1-O 3.45Å; I1379-H1381 VanDerWaalsContact C-N 3.27Å; I1379-H1381 PolarHBondContact O-N 3.04Å
1382	Y	72.8	Confident	77.8	Confident	156.8 Å²	156.8	56.3 Å²	56.3	62%	0.615	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.9	170.4	-63.7	-81.9	0	0	0	110.8	Y1378 I1379 N1380 Y1384	Y1378-Y1382 CarbonylContact C-O 3.41Å; Y1378-Y1382 VanDerWaalsContact CA-O 3.26Å; Y1378-Y1382 WeakPolarHBondContact CA-O 3.27Å; I1379-Y1382 PolarHBondContact N-O 2.95Å; I1379-Y1382 WeakPolarHBondContact O-CB 3.27Å; I1379-Y1382 PolarHBondContact O-N 3.01Å; N1380-Y1382 HydrophobicContact CB-CD2 4.39Å; N1380-Y1382 VanDerWaalsContact O-CD2 3.25Å; N1380-Y1382 WeakPolarHBondContact O-CD2 3.35Å; N1380-Y1382 PolarHBondContact O-N 3.03Å; N1380-Y1382 VanDerWaalsContact O-N 3.14Å; Y1382-Y1384 PolarHBondContact O-N 3Å
1383	K	72.7	Confident	77.3	Confident	79.8 Å²	79.8	57.8 Å²	57.8	35%	0.347	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	119.6	176.9	-149.5	-178.3	-175.1	-171.7	0	109.8	V1376 Y1378 F1409 T1411	V1376-K1383 HydrophobicContact CG1-CD 4.08Å; V1376-K1383 VanDerWaalsContact CG1-CE 3.43Å; V1376-K1383 HydrophobicContact CG1-CG 3.81Å; Y1378-K1383 HydrophobicContact CD1-CB 4.1Å; Y1378-K1383 HydrophobicContact CD1-CG 3.79Å; Y1378-K1383 HydrophobicContact CE1-CB 3.8Å; Y1378-K1383 HydrophobicContact CE1-CD 4.15Å; Y1378-K1383 HydrophobicContact CE1-CG 3.94Å; Y1378-K1383 HydrophobicContact CE2-CG 4.35Å; Y1378-K1383 HydrophobicContact CG-CG 4.33Å; Y1378-K1383 WeakPolarHBondContact OH-CE 3.47Å; K1383-F1409 HydrophobicContact CB-CD2 4.1Å; K1383-F1409 HydrophobicContact CB-CE2 4.14Å; K1383-F1409 HydrophobicContact CB-CG 4.44Å; K1383-F1409 HydrophobicContact CD-CD2 3.89Å; K1383-F1409 HydrophobicContact CD-CE1 4.41Å; K1383-F1409 HydrophobicContact CD-CE2 3.82Å; K1383-F1409 HydrophobicContact CD-CG 4.15Å; K1383-F1409 HydrophobicContact CD-CZ 4.06Å; K1383-F1409 HydrophobicContact CG-CD2 3.87Å; K1383-F1409 HydrophobicContact CG-CE2 4.07Å; K1383-F1409 HydrophobicContact CG-CG 4.23Å; K1383-F1409 VanDerWaalsContact NZ-CE2 3.32Å; K1383-F1409 WeakPolarHBondContact O-CB 3.31Å; K1383-T1411 WeakPolarHBondContact O-CG2 3.25Å
1384	Y	69.8	Low	76.7	Confident	90 Å²	90	58.1 Å²	58.1	35%	0.353	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-49	-173.1	-114.7	-94.4	0	0	0	112.8	I1377 I1379 Y1382 R1408 F1409	I1377-Y1384 WeakPolarHBondContact O-CA 3.2Å; I1377-Y1384 WeakPolarHBondContact O-CB 3.49Å; I1377-Y1384 PolarHBondContact O-N 3.07Å; I1377-Y1384 VanDerWaalsContact O-N 3.11Å; I1379-Y1384 HydrophobicContact CB-CD2 3.99Å; I1379-Y1384 HydrophobicContact CB-CE2 4.36Å; I1379-Y1384 HydrophobicContact CB-CG 4.44Å; I1379-Y1384 HydrophobicContact CD1-CD1 4.1Å; I1379-Y1384 HydrophobicContact CD1-CD2 4.09Å; I1379-Y1384 HydrophobicContact CD1-CE1 4.27Å; I1379-Y1384 HydrophobicContact CD1-CE2 4.37Å; I1379-Y1384 HydrophobicContact CD1-CG 3.89Å; I1379-Y1384 HydrophobicContact CG1-CD2 4.21Å; I1379-Y1384 HydrophobicContact CG1-CG 4.2Å; Y1382-Y1384 PolarHBondContact O-N 3Å; Y1384-R1408 WeakPolarHBondContact O-CA 3.29Å; Y1384-R1408 WeakPolarHBondContact O-CG 3.02Å; Y1384-F1409 PolarHBondContact O-N 2.93Å
1385	F	74.6	Confident	75.7	Confident	59.4 Å²	59.4	60.5 Å²	60.5	26%	0.261	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151.6	-177.1	-57.2	-75.7	0	0	0	111.8	V1376 I1377 I1379 K1407 R1408 I1427 F1765	V1376-F1385 CarbonylContact C-O 3.49Å; V1376-F1385 WeakPolarHBondContact CA-O 3.34Å; I1377-F1385 HydrophobicContact CB-CB 4.2Å; I1377-F1385 HydrophobicContact CB-CD2 4.19Å; I1377-F1385 HydrophobicContact CD1-CB 4.29Å; I1377-F1385 HydrophobicContact CD1-CD2 4.4Å; I1377-F1385 HydrophobicContact CG1-CB 4.44Å; I1377-F1385 HydrophobicContact CG2-CD2 4.41Å; I1377-F1385 PolarHBondContact N-O 2.87Å; I1377-F1385 VanDerWaalsContact N-O 3.15Å; I1377-F1385 PolarHBondContact O-N 2.96Å; I1379-F1385 HydrophobicContact CD1-CE2 4.41Å; F1385-K1407 CarbonylContact C-O 3.45Å; F1385-K1407 WeakPolarHBondContact CA-O 3.19Å; F1385-K1407 WeakPolarHBondContact CB-O 3.33Å; F1385-R1408 HydrophobicContact CD1-CB 4.3Å; F1385-R1408 HydrophobicContact CD1-CG 4.11Å; F1385-R1408 HydrophobicContact CE1-CB 4.22Å; F1385-R1408 HydrophobicContact CE1-CG 4.12Å; F1385-I1427 HydrophobicContact CD1-CD1 4.1Å; F1385-I1427 HydrophobicContact CE1-CD1 3.82Å; F1385-F1765 HydrophobicContact CZ-CE1 4.22Å; F1385-F1765 HydrophobicContact CZ-CZ 4.45Å
1386	I	79	Confident	74.7	Confident	20 Å²	20	63.9 Å²	63.9	10%	0.103	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.6	156.9	-62.3	173.4	0	0	0	107.5	D1374 H1375 V1376 K1388 T1406 K1407 F1409	D1374-I1386 HydrophobicContact CB-CG2 4.41Å; H1375-I1386 CarbonylContact O-C 3.51Å; H1375-I1386 VanDerWaalsContact O-C 3.31Å; H1375-I1386 VanDerWaalsContact O-CA 3.3Å; H1375-I1386 WeakPolarHBondContact O-CA 3.45Å; V1376-I1386 HydrophobicContact CG2-CG1 4.37Å; V1376-I1386 HydrophobicContact CG2-CG2 4.19Å; I1386-K1388 HydrophobicContact CG2-CD 4.41Å; I1386-K1388 HydrophobicContact CG2-CG 3.71Å; I1386-T1406 CarbonylContact O-C 3.37Å; I1386-T1406 VanDerWaalsContact O-CA 3.23Å; I1386-T1406 WeakPolarHBondContact O-CA 3.13Å; I1386-K1407 HydrophobicContact CB-CB 4.24Å; I1386-K1407 HydrophobicContact CD1-CD 4.42Å; I1386-K1407 HydrophobicContact CG1-CB 4.43Å; I1386-K1407 PolarHBondContact N-O 3.02Å; I1386-K1407 VanDerWaalsContact N-O 3.14Å; I1386-K1407 PolarHBondContact O-N 2.76Å; I1386-F1409 HydrophobicContact CB-CE2 4.2Å; I1386-F1409 HydrophobicContact CD1-CE1 4.38Å; I1386-F1409 HydrophobicContact CD1-CE2 3.53Å; I1386-F1409 VanDerWaalsContact CD1-CE2 3.45Å; I1386-F1409 HydrophobicContact CD1-CZ 3.64Å; I1386-F1409 HydrophobicContact CG1-CD2 4.32Å; I1386-F1409 HydrophobicContact CG1-CE2 3.57Å; I1386-F1409 HydrophobicContact CG1-CZ 4.01Å
1387	I	77.4	Confident	73.6	Confident	39.6 Å²	39.6	66.9 Å²	66.9	20%	0.203	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.2	168.3	-52.3	-178.8	0	0	0	107.2	D1374 H1375 I1377 H1404 Q1405 T1406	D1374-I1387 CarbonylContact C-O 3.35Å; D1374-I1387 VanDerWaalsContact CA-O 3.22Å; D1374-I1387 WeakPolarHBondContact CA-O 3.4Å; H1375-I1387 HydrophobicContact CB-CB 4.15Å; H1375-I1387 HydrophobicContact CB-CG1 4.4Å; H1375-I1387 PolarHBondContact CD2-O 2.78Å; H1375-I1387 VanDerWaalsContact CD2-O 3.3Å; H1375-I1387 PolarHBondContact N-O 3.1Å; H1375-I1387 PolarHBondContact O-N 3.03Å; I1377-I1387 HydrophobicContact CD1-CD1 3.8Å; I1377-I1387 HydrophobicContact CD1-CG1 4.32Å; I1387-H1404 WeakPolarHBondContact CG2-CE1 3.42Å; I1387-Q1405 CarbonylContact C-O 3.37Å; I1387-Q1405 WeakPolarHBondContact CA-O 3.36Å; I1387-T1406 HydrophobicContact CB-CG2 4.19Å; I1387-T1406 HydrophobicContact CD1-CG2 4.28Å; I1387-T1406 HydrophobicContact CG1-CG2 4.17Å; I1387-T1406 HydrophobicContact CG2-CG2 4.2Å
1388	K	81.8	Confident	72.7	Confident	56.2 Å²	56.2	70.2 Å²	70.2	24%	0.244	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.5	176.6	-73.2	-171.9	162.5	-125.3	0	109.7	L1373 D1374 I1386 Q1390 H1404 Q1405	L1373-K1388 CarbonylContact O-C 3.14Å; D1374-K1388 VanDerWaalsContact OD1-CA 3.27Å; D1374-K1388 WeakPolarHBondContact OD1-CA 3.39Å; D1374-K1388 WeakPolarHBondContact OD1-CB 3.31Å; D1374-K1388 WeakPolarHBondContact OD1-CD 3.38Å; D1374-K1388 WeakPolarHBondContact OD1-CE 3.44Å; D1374-K1388 VanDerWaalsContact OD1-CG 3.26Å; D1374-K1388 WeakPolarHBondContact OD1-CG 3.34Å; D1374-K1388 IonicContact OD1-NZ 3.45Å; D1374-K1388 PolarHBondContact OD1-NZ 2.91Å; D1374-K1388 VanDerWaalsContact OD2-CE 3.31Å; D1374-K1388 WeakPolarHBondContact OD2-CE 3.32Å; D1374-K1388 IonicContact OD2-NZ 2.72Å; D1374-K1388 PolarHBondContact OD2-NZ 2.71Å; I1386-K1388 HydrophobicContact CG2-CD 4.41Å; I1386-K1388 HydrophobicContact CG2-CG 3.71Å; K1388-Q1390 VanDerWaalsContact CE-CD 3.43Å; K1388-Q1390 HydrophobicContact CG-CG 4.05Å; K1388-H1404 CarbonylContact O-C 3.56Å; K1388-H1404 WeakPolarHBondContact O-CA 3.46Å; K1388-Q1405 HydrophobicContact CB-CB 4.38Å; K1388-Q1405 PolarHBondContact N-O 3.01Å; K1388-Q1405 PolarHBondContact O-N 2.98Å
1389	N	79.8	Confident	71.8	Confident	35.2 Å²	35.2	70.7 Å²	70.7	19%	0.188	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.9	172.3	-60.8	-63.8	0	0	0	109.1	T1372 L1373 H1375 L1403 H1404	T1372-N1389 CarbonylContact C-O 3.53Å; T1372-N1389 WeakPolarHBondContact CA-O 3.43Å; T1372-N1389 WeakPolarHBondContact CB-O 3.49Å; L1373-N1389 HydrophobicContact CB-CB 4.22Å; L1373-N1389 HydrophobicContact CD1-CB 4.19Å; L1373-N1389 HydrophobicContact CG-CB 4.38Å; L1373-N1389 PolarHBondContact N-O 3.09Å; L1373-N1389 PolarHBondContact O-N 3.06Å; L1373-N1389 PolarHBondContact O-ND2 2.88Å; H1375-N1389 PolarHBondContact CD2-ND2 3.11Å; H1375-N1389 VanDerWaalsContact CD2-ND2 3.35Å; H1375-N1389 PolarHBondContact NE2-ND2 3.09Å; H1375-N1389 VanDerWaalsContact NE2-ND2 3.13Å; N1389-L1403 CarbonylContact C-O 3.47Å; N1389-L1403 WeakPolarHBondContact CA-O 3.16Å; N1389-L1403 WeakPolarHBondContact CB-O 3.45Å; N1389-H1404 PolarHBondContact OD1-ND1 2.76Å
1390	Q	77.8	Confident	71.5	Confident	51.4 Å²	51.4	69.5 Å²	69.5	24%	0.24	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	118.9	175.3	-54.1	-172.9	-39.4	0	0	109.9	I1371 T1372 K1388 F1401 I1402 L1403	I1371-Q1390 WeakPolarHBondContact O-CA 3.22Å; T1372-Q1390 HydrophobicContact CG2-CB 4.24Å; T1372-Q1390 HydrophobicContact CG2-CG 3.84Å; K1388-Q1390 VanDerWaalsContact CE-CD 3.43Å; K1388-Q1390 HydrophobicContact CG-CG 4.05Å; Q1390-F1401 WeakPolarHBondContact O-CD1 3.4Å; Q1390-I1402 CarbonylContact O-C 3.34Å; Q1390-I1402 WeakPolarHBondContact O-CA 3.28Å; Q1390-I1402 WeakPolarHBondContact O-CG2 3.2Å; Q1390-L1403 HydrophobicContact CB-CB 4.16Å; Q1390-L1403 HydrophobicContact CB-CD2 4.38Å; Q1390-L1403 HydrophobicContact CG-CB 4.09Å; Q1390-L1403 HydrophobicContact CG-CD2 4.13Å; Q1390-L1403 PolarHBondContact N-O 2.99Å; Q1390-L1403 PolarHBondContact O-N 3.11Å
1391	I	74	Confident	70.9	Confident	65.2 Å²	65.2	69.6 Å²	69.6	33%	0.334	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114	173.8	-63.1	171.4	0	0	0	106.6	G1370 I1371 L1400 F1401 I1402 L1773 L1780 F1782 L1834	G1370-I1391 CarbonylContact C-O 3.49Å; G1370-I1391 VanDerWaalsContact C-O 3.25Å; G1370-I1391 WeakPolarHBondContact CA-O 3.28Å; I1371-I1391 HydrophobicContact CG2-CB 4.23Å; I1371-I1391 PolarHBondContact N-O 2.91Å; I1371-I1391 VanDerWaalsContact N-O 3.09Å; I1371-I1391 WeakPolarHBondContact O-CB 3.17Å; I1371-I1391 PolarHBondContact O-N 3.06Å; I1371-I1391 VanDerWaalsContact O-N 3.12Å; I1391-L1400 HydrophobicContact CG2-CD1 4.26Å; I1391-F1401 CarbonylContact C-O 3.58Å; I1391-F1401 WeakPolarHBondContact CA-O 3.41Å; I1391-I1402 HydrophobicContact CD1-CG2 4.1Å; I1391-I1402 HydrophobicContact CG1-CB 4.08Å; I1391-I1402 HydrophobicContact CG1-CD1 4.44Å; I1391-I1402 HydrophobicContact CG1-CG1 4.16Å; I1391-I1402 HydrophobicContact CG1-CG2 3.56Å; I1391-I1402 VanDerWaalsContact CG1-CG2 3.43Å; I1391-I1402 HydrophobicContact CG2-CG1 4.44Å; I1391-L1773 HydrophobicContact CD1-CB 4.33Å; I1391-L1773 HydrophobicContact CD1-CD2 3.37Å; I1391-L1773 HydrophobicContact CD1-CG 4.4Å; I1391-L1780 HydrophobicContact CB-CD1 4.27Å; I1391-L1780 HydrophobicContact CD1-CD1 4.33Å; I1391-L1780 HydrophobicContact CG1-CD1 4.25Å; I1391-L1780 HydrophobicContact CG2-CD1 3.16Å; I1391-F1782 HydrophobicContact CD1-CD1 3.88Å; I1391-F1782 HydrophobicContact CD1-CE1 4.23Å; I1391-L1834 WeakPolarHBondContact CD1-O 3.28Å
1392	M	73.2	Confident	70.5	Confident	46.6 Å²	46.6	65.3 Å²	65.3	23%	0.23	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.8	-178.6	-63.5	178.6	65.8	0	0	110.4	I1363 Y1368 S1369 F1401	I1363-M1392 HydrophobicContact CB-CE 4.4Å; I1363-M1392 HydrophobicContact CD1-CE 4.42Å; I1363-M1392 HydrophobicContact CD1-SD 4.48Å; I1363-M1392 HydrophobicContact CG2-CE 4.17Å; Y1368-M1392 HydrophobicContact CD1-CB 4.44Å; Y1368-M1392 HydrophobicContact CD1-CE 3.9Å; Y1368-M1392 VanDerWaalsContact CD1-CE 3.46Å; Y1368-M1392 HydrophobicContact CD2-CE 4.37Å; Y1368-M1392 HydrophobicContact CE1-CE 4.08Å; Y1368-M1392 HydrophobicContact CG-CE 4.08Å; S1369-M1392 WeakPolarHBondContact O-CA 3.14Å; M1392-F1401 CarbonylContact C-O 3.31Å; M1392-F1401 HydrophobicContact CB-CB 4.25Å; M1392-F1401 HydrophobicContact CB-CD1 4.41Å; M1392-F1401 HydrophobicContact CG-CD1 4.29Å; M1392-F1401 PolarHBondContact N-O 3.11Å; M1392-F1401 CarbonylContact O-C 3.54Å; M1392-F1401 WeakPolarHBondContact O-CA 3.3Å; M1392-F1401 WeakPolarHBondContact O-CB 3.18Å; M1392-F1401 PolarHBondContact O-N 3.29Å; M1392-F1401 HydrophobicContact SD-CD1 4.47Å
1393	F	67.5	Low	70.4	Confident	46 Å²	46	58.8 Å²	58.8	20%	0.202	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.8	170.2	-166.7	-114.6	0	0	0	109.9	Y1368 S1369 L1395 Q1398 K1399 L1400 F1436 N1778 D1779 Y1835	Y1368-F1393 CarbonylContact C-O 3.5Å; Y1368-F1393 WeakPolarHBondContact CA-O 3.49Å; S1369-F1393 PolarHBondContact N-O 3.12Å; S1369-F1393 VanDerWaalsContact N-O 3.1Å; S1369-F1393 PolarHBondContact O-N 3.25Å; S1369-F1393 PolarHBondContact OG-O 2.67Å; F1393-L1395 HydrophobicContact CD1-CB 4.42Å; F1393-L1395 HydrophobicContact CD1-CD2 3.72Å; F1393-L1395 HydrophobicContact CD1-CG 4.01Å; F1393-L1395 HydrophobicContact CE1-CD2 3.75Å; F1393-L1395 VanDerWaalsContact CE1-CD2 3.41Å; F1393-L1395 HydrophobicContact CE1-CG 4.36Å; F1393-L1395 HydrophobicContact CZ-CD2 4.18Å; F1393-L1395 PolarHBondContact O-N 3.15Å; F1393-Q1398 HydrophobicContact CE2-CB 4.49Å; F1393-Q1398 VanDerWaalsContact CZ-C 3.41Å; F1393-Q1398 HydrophobicContact CZ-CB 3.88Å; F1393-Q1398 HydrophobicContact CZ-CG 4.2Å; F1393-K1399 CarbonylContact C-O 3.47Å; F1393-K1399 WeakPolarHBondContact CA-O 3.15Å; F1393-K1399 VanDerWaalsContact CD2-C 3.44Å; F1393-K1399 WeakPolarHBondContact CD2-O 3.22Å; F1393-L1400 HydrophobicContact CB-CD1 3.84Å; F1393-L1400 HydrophobicContact CD2-CB 4.01Å; F1393-L1400 HydrophobicContact CD2-CD1 3.98Å; F1393-L1400 HydrophobicContact CD2-CG 4.45Å; F1393-L1400 HydrophobicContact CE2-CB 4.33Å; F1393-L1400 HydrophobicContact CG-CD1 4.22Å; F1393-F1436 HydrophobicContact CE2-CD2 4.46Å; F1393-F1436 HydrophobicContact CE2-CE2 4.16Å; F1393-N1778 HydrophobicContact CB-CB 3.59Å; F1393-N1778 VanDerWaalsContact CB-ND2 3.27Å; F1393-N1778 WeakPolarHBondContact CB-ND2 3.36Å; F1393-N1778 HydrophobicContact CD1-CB 3.68Å; F1393-N1778 WeakPolarHBondContact CD1-OD1 3.36Å; F1393-N1778 VanDerWaalsContact CD2-C 3.43Å; F1393-N1778 HydrophobicContact CD2-CB 3.97Å; F1393-N1778 WeakPolarHBondContact CD2-O 3.2Å; F1393-N1778 VanDerWaalsContact CE1-CA 3.48Å; F1393-N1778 HydrophobicContact CE1-CB 4.2Å; F1393-N1778 HydrophobicContact CE2-CB 4.45Å; F1393-N1778 WeakPolarHBondContact CE2-O 3.42Å; F1393-N1778 HydrophobicContact CG-CB 3.49Å; F1393-N1778 VanDerWaalsContact CG-CB 3.49Å; F1393-N1778 VanDerWaalsContact CG-CG 3.5Å; F1393-N1778 VanDerWaalsContact CZ-C 3.41Å; F1393-D1779 HydrophobicContact CE2-CB 3.81Å; F1393-D1779 HydrophobicContact CZ-CB 4Å; F1393-Y1835 HydrophobicContact CB-CE1 3.92Å; F1393-Y1835 AromaticContact CD1-CE1 3.94Å; F1393-Y1835 HydrophobicContact CD1-CE1 3.94Å; F1393-Y1835 AromaticContact CD2-CE1 3.95Å; F1393-Y1835 HydrophobicContact CD2-CE1 3.95Å; F1393-Y1835 AromaticContact CD2-CZ 3.9Å; F1393-Y1835 WeakPolarHBondContact CD2-OH 3.41Å; F1393-Y1835 HydrophobicContact CE1-CE1 4.42Å; F1393-Y1835 HydrophobicContact CE2-CE1 4.47Å; F1393-Y1835 WeakPolarHBondContact CE2-OH 3.3Å; F1393-Y1835 AromaticContact CG-CE1 3.68Å; F1393-Y1835 HydrophobicContact CG-CE1 3.68Å; F1393-Y1835 WeakPolarHBondContact CZ-OH 3.32Å
1394	K	69.3	Low	70.2	Confident	57.8 Å²	57.8	57.4 Å²	57.4	25%	0.251	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	103.5	168.8	-111.5	-175.5	171.9	-170.2	0	108.7	L1367 Y1368 D1396 E1397 Q1398 K1399	L1367-K1394 VanDerWaalsContact O-CA 3.26Å; L1367-K1394 WeakPolarHBondContact O-CA 3.41Å; L1367-K1394 VanDerWaalsContact O-CG 3.25Å; L1367-K1394 WeakPolarHBondContact O-CG 3.28Å; Y1368-K1394 HydrophobicContact CD1-CB 4.13Å; Y1368-K1394 HydrophobicContact CD1-CD 4.3Å; Y1368-K1394 HydrophobicContact CD1-CG 3.8Å; Y1368-K1394 HydrophobicContact CE1-CB 4.17Å; Y1368-K1394 HydrophobicContact CE1-CD 4Å; Y1368-K1394 HydrophobicContact CE1-CG 3.71Å; Y1368-K1394 VanDerWaalsContact CE1-CG 3.46Å; Y1368-K1394 HydrophobicContact CG-CG 4.49Å; Y1368-K1394 WeakPolarHBondContact OH-CE 3.3Å; Y1368-K1394 PolarHBondContact OH-NZ 2.93Å; K1394-D1396 VanDerWaalsContact C-N 3.29Å; K1394-D1396 WeakPolarHBondContact CB-OD1 3.19Å; K1394-D1396 PolarHBondContact O-N 3.15Å; K1394-E1397 HydrophobicContact CB-CB 4.22Å; K1394-E1397 HydrophobicContact CD-CB 4.43Å; K1394-E1397 VanDerWaalsContact CD-CD 3.45Å; K1394-E1397 HydrophobicContact CD-CG 4.27Å; K1394-E1397 VanDerWaalsContact CD-OE1 3.3Å; K1394-E1397 WeakPolarHBondContact CD-OE1 3.35Å; K1394-E1397 VanDerWaalsContact CE-OE1 3.25Å; K1394-E1397 WeakPolarHBondContact CE-OE1 3.39Å; K1394-E1397 IonicContact NZ-OE1 3.16Å; K1394-E1397 PolarHBondContact NZ-OE1 3.16Å; K1394-E1397 IonicContact NZ-OE2 3.66Å; K1394-E1397 PolarHBondContact O-N 2.87Å; K1394-Q1398 PolarHBondContact O-N 3.17Å; K1394-K1399 HydrophobicContact CB-CB 4.36Å; K1394-K1399 PolarHBondContact N-O 3.01Å; K1394-K1399 PolarHBondContact O-N 2.96Å; K1394-K1399 VanDerWaalsContact O-N 3.11Å
1395	L	62.6	Low	70.1	Confident	89.4 Å²	89.4	54.3 Å²	54.3	47%	0.468	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-43.1	-172.9	-74.8	157.8	0	0	0	112.1	L1367 F1393 E1397 Q1398	L1367-L1395 PolarHBondContact O-N 3.18Å; L1367-L1395 VanDerWaalsContact O-N 3.08Å; F1393-L1395 HydrophobicContact CD1-CB 4.42Å; F1393-L1395 HydrophobicContact CD1-CD2 3.72Å; F1393-L1395 HydrophobicContact CD1-CG 4.01Å; F1393-L1395 HydrophobicContact CE1-CD2 3.75Å; F1393-L1395 VanDerWaalsContact CE1-CD2 3.41Å; F1393-L1395 HydrophobicContact CE1-CG 4.36Å; F1393-L1395 HydrophobicContact CZ-CD2 4.18Å; F1393-L1395 PolarHBondContact O-N 3.15Å; L1395-E1397 VanDerWaalsContact C-N 3.31Å; L1395-E1397 PolarHBondContact O-N 3Å; L1395-E1397 VanDerWaalsContact O-N 3.15Å; L1395-Q1398 PolarHBondContact O-N 2.93Å; L1395-Q1398 VanDerWaalsContact O-N 3.08Å
1396	D	62.5	Low	69.7	Low	110.6 Å²	110.6	52.4 Å²	52.4	59%	0.591	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-38.2	-175.6	-33.1	-28	0	0	0	113.4	L1367 K1394 Q1398	L1367-D1396 WeakPolarHBondContact CB-OD2 3.13Å; L1367-D1396 WeakPolarHBondContact CD2-OD1 3.43Å; L1367-D1396 VanDerWaalsContact CD2-OD2 3.26Å; L1367-D1396 WeakPolarHBondContact CD2-OD2 3.42Å; K1394-D1396 VanDerWaalsContact C-N 3.29Å; K1394-D1396 WeakPolarHBondContact CB-OD1 3.19Å; K1394-D1396 PolarHBondContact O-N 3.15Å; D1396-Q1398 VanDerWaalsContact C-N 3.27Å; D1396-Q1398 PolarHBondContact O-N 2.85Å
1397	E	62.2	Low	69.3	Low	76.6 Å²	76.6	53.2 Å²	53.2	36%	0.358	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.9	-178.5	-66.7	-178.2	-143.1	0	0	112.7	K1394 L1395 K1399	K1394-E1397 HydrophobicContact CB-CB 4.22Å; K1394-E1397 HydrophobicContact CD-CB 4.43Å; K1394-E1397 VanDerWaalsContact CD-CD 3.45Å; K1394-E1397 HydrophobicContact CD-CG 4.27Å; K1394-E1397 VanDerWaalsContact CD-OE1 3.3Å; K1394-E1397 WeakPolarHBondContact CD-OE1 3.35Å; K1394-E1397 VanDerWaalsContact CE-OE1 3.25Å; K1394-E1397 WeakPolarHBondContact CE-OE1 3.39Å; K1394-E1397 IonicContact NZ-OE1 3.16Å; K1394-E1397 PolarHBondContact NZ-OE1 3.16Å; K1394-E1397 IonicContact NZ-OE2 3.66Å; K1394-E1397 PolarHBondContact O-N 2.87Å; L1395-E1397 VanDerWaalsContact C-N 3.31Å; L1395-E1397 PolarHBondContact O-N 3Å; L1395-E1397 VanDerWaalsContact O-N 3.15Å; E1397-K1399 HydrophobicContact CB-CB 3.85Å; E1397-K1399 HydrophobicContact CB-CD 4.13Å; E1397-K1399 HydrophobicContact CB-CG 3.91Å; E1397-K1399 WeakPolarHBondContact O-CG 3.12Å; E1397-K1399 PolarHBondContact O-N 2.86Å; E1397-K1399 VanDerWaalsContact O-N 3.15Å; E1397-K1399 VanDerWaalsContact OE2-CD 3.28Å; E1397-K1399 WeakPolarHBondContact OE2-CD 3.38Å; E1397-K1399 VanDerWaalsContact OE2-CE 3.27Å; E1397-K1399 WeakPolarHBondContact OE2-CE 3.27Å; E1397-K1399 IonicContact OE2-NZ 3.1Å; E1397-K1399 PolarHBondContact OE2-NZ 2.86Å
1398	Q	63.4	Low	68.6	Low	97.4 Å²	97.4	56.6 Å²	56.6	46%	0.455	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	43.1	-164.6	-64.7	-174.5	-8.1	0	0	112	F1393 K1394 L1395 D1396 Q1435 F1436 Q1807	F1393-Q1398 HydrophobicContact CE2-CB 4.49Å; F1393-Q1398 VanDerWaalsContact CZ-C 3.41Å; F1393-Q1398 HydrophobicContact CZ-CB 3.88Å; F1393-Q1398 HydrophobicContact CZ-CG 4.2Å; K1394-Q1398 PolarHBondContact O-N 3.17Å; L1395-Q1398 PolarHBondContact O-N 2.93Å; L1395-Q1398 VanDerWaalsContact O-N 3.08Å; D1396-Q1398 VanDerWaalsContact C-N 3.27Å; D1396-Q1398 PolarHBondContact O-N 2.85Å; Q1398-Q1435 VanDerWaalsContact OE1-NE2 3.15Å; Q1398-F1436 HydrophobicContact CB-CB 4.29Å; Q1398-F1436 WeakPolarHBondContact O-CD2 3.42Å; Q1398-F1436 PolarHBondContact O-N 3Å; Q1398-F1436 VanDerWaalsContact O-N 3.08Å; Q1398-F1436 PolarHBondContact OE1-O 3.05Å; Q1398-Q1807 PolarHBondContact O-NE2 3.42Å
1399	K	63.3	Low	67.5	Low	73 Å²	73	56.7 Å²	56.7	32%	0.317	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.9	-172.9	-113.2	-177.5	-162.4	165.2	0	111.1	F1393 K1394 E1397 V1433 L1434 Q1435	F1393-K1399 CarbonylContact C-O 3.47Å; F1393-K1399 WeakPolarHBondContact CA-O 3.15Å; F1393-K1399 VanDerWaalsContact CD2-C 3.44Å; F1393-K1399 WeakPolarHBondContact CD2-O 3.22Å; K1394-K1399 HydrophobicContact CB-CB 4.36Å; K1394-K1399 PolarHBondContact N-O 3.01Å; K1394-K1399 PolarHBondContact O-N 2.96Å; K1394-K1399 VanDerWaalsContact O-N 3.11Å; E1397-K1399 HydrophobicContact CB-CB 3.85Å; E1397-K1399 HydrophobicContact CB-CD 4.13Å; E1397-K1399 HydrophobicContact CB-CG 3.91Å; E1397-K1399 WeakPolarHBondContact O-CG 3.12Å; E1397-K1399 PolarHBondContact O-N 2.86Å; E1397-K1399 VanDerWaalsContact O-N 3.15Å; E1397-K1399 VanDerWaalsContact OE2-CD 3.28Å; E1397-K1399 WeakPolarHBondContact OE2-CD 3.38Å; E1397-K1399 VanDerWaalsContact OE2-CE 3.27Å; E1397-K1399 WeakPolarHBondContact OE2-CE 3.27Å; E1397-K1399 IonicContact OE2-NZ 3.1Å; E1397-K1399 PolarHBondContact OE2-NZ 2.86Å; K1399-V1433 HydrophobicContact CB-CG1 3.62Å; K1399-V1433 HydrophobicContact CD-CG1 3.86Å; K1399-V1433 HydrophobicContact CG-CG1 3.72Å; K1399-L1434 WeakPolarHBondContact CA-O 3.41Å; K1399-Q1435 HydrophobicContact CG-CB 4.25Å; K1399-Q1435 HydrophobicContact CG-CG 4.08Å
1400	L	68.7	Low	66.1	Low	28.2 Å²	28.2	58.7 Å²	58.7	15%	0.148	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.8	174.1	178.9	69.8	0	0	0	110.4	I1391 F1393 I1402 L1432 V1433 L1434 F1436 N1778 L1780 Y1835	I1391-L1400 HydrophobicContact CG2-CD1 4.26Å; F1393-L1400 HydrophobicContact CB-CD1 3.84Å; F1393-L1400 HydrophobicContact CD2-CB 4.01Å; F1393-L1400 HydrophobicContact CD2-CD1 3.98Å; F1393-L1400 HydrophobicContact CD2-CG 4.45Å; F1393-L1400 HydrophobicContact CE2-CB 4.33Å; F1393-L1400 HydrophobicContact CG-CD1 4.22Å; L1400-I1402 HydrophobicContact CD1-CD1 4.09Å; L1400-I1402 HydrophobicContact CD1-CG1 4.27Å; L1400-I1402 HydrophobicContact CD2-CD1 3.83Å; L1400-I1402 HydrophobicContact CD2-CG1 4.23Å; L1400-I1402 HydrophobicContact CG-CD1 4.03Å; L1400-I1402 VanDerWaalsContact CG-CD1 3.48Å; L1400-I1402 HydrophobicContact CG-CG1 4.12Å; L1400-L1432 CarbonylContact C-O 3.46Å; L1400-L1432 HydrophobicContact CD2-CD2 4.48Å; L1400-L1432 WeakPolarHBondContact CD2-O 2.94Å; L1400-L1432 CarbonylContact O-C 3.49Å; L1400-V1433 HydrophobicContact CB-CG2 4.06Å; L1400-V1433 HydrophobicContact CD2-CB 4.46Å; L1400-V1433 HydrophobicContact CD2-CG1 3.85Å; L1400-V1433 HydrophobicContact CD2-CG2 4.04Å; L1400-V1433 WeakPolarHBondContact O-CA 3.44Å; L1400-V1433 PolarHBondContact O-N 3.42Å; L1400-L1434 HydrophobicContact CB-CB 4.37Å; L1400-L1434 HydrophobicContact CB-CG 4.41Å; L1400-L1434 HydrophobicContact CD2-CB 3.86Å; L1400-L1434 HydrophobicContact CD2-CD1 3.91Å; L1400-L1434 HydrophobicContact CD2-CG 3.35Å; L1400-L1434 PolarHBondContact N-O 2.77Å; L1400-L1434 PolarHBondContact O-N 3.36Å; L1400-L1434 VanDerWaalsContact O-N 3.09Å; L1400-F1436 HydrophobicContact CB-CE2 3.94Å; L1400-N1778 VanDerWaalsContact CD1-O 3.32Å; L1400-N1778 WeakPolarHBondContact CD1-O 3.21Å; L1400-L1780 HydrophobicContact CD1-CB 3.51Å; L1400-L1780 HydrophobicContact CD1-CD1 3.43Å; L1400-L1780 VanDerWaalsContact CD1-CD1 3.43Å; L1400-L1780 HydrophobicContact CD1-CG 3.9Å; L1400-L1780 VanDerWaalsContact CD2-CA 3.48Å; L1400-L1780 HydrophobicContact CD2-CB 3.53Å; L1400-L1780 HydrophobicContact CD2-CD1 3.52Å; L1400-L1780 HydrophobicContact CD2-CG 3.48Å; L1400-L1780 VanDerWaalsContact CD2-CG 3.48Å; L1400-L1780 HydrophobicContact CG-CB 4.01Å; L1400-L1780 HydrophobicContact CG-CD1 3.74Å; L1400-L1780 HydrophobicContact CG-CG 4.12Å; L1400-Y1835 HydrophobicContact CB-CE2 3.8Å; L1400-Y1835 HydrophobicContact CD1-CD1 3.88Å; L1400-Y1835 HydrophobicContact CD1-CD2 4.14Å; L1400-Y1835 HydrophobicContact CD1-CE1 3.73Å; L1400-Y1835 HydrophobicContact CD1-CE2 4Å; L1400-Y1835 HydrophobicContact CD1-CG 4.06Å; L1400-Y1835 HydrophobicContact CD2-CD2 3.64Å; L1400-Y1835 HydrophobicContact CD2-CE2 3.67Å; L1400-Y1835 HydrophobicContact CD2-CG 4.21Å; L1400-Y1835 HydrophobicContact CG-CD2 4.33Å; L1400-Y1835 HydrophobicContact CG-CE2 4.02Å
1401	F	62.9	Low	64.4	Low	62.2 Å²	62.2	60.6 Å²	60.6	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.2	171.6	-173.6	-97	0	0	0	109.8	Q1390 I1391 M1392 L1403 E1431 L1432 V1433	Q1390-F1401 WeakPolarHBondContact O-CD1 3.4Å; I1391-F1401 CarbonylContact C-O 3.58Å; I1391-F1401 WeakPolarHBondContact CA-O 3.41Å; M1392-F1401 CarbonylContact C-O 3.31Å; M1392-F1401 HydrophobicContact CB-CB 4.25Å; M1392-F1401 HydrophobicContact CB-CD1 4.41Å; M1392-F1401 HydrophobicContact CG-CD1 4.29Å; M1392-F1401 PolarHBondContact N-O 3.11Å; M1392-F1401 CarbonylContact O-C 3.54Å; M1392-F1401 WeakPolarHBondContact O-CA 3.3Å; M1392-F1401 WeakPolarHBondContact O-CB 3.18Å; M1392-F1401 PolarHBondContact O-N 3.29Å; M1392-F1401 HydrophobicContact SD-CD1 4.47Å; F1401-L1403 HydrophobicContact CD1-CB 4.34Å; F1401-L1403 HydrophobicContact CE1-CB 3.81Å; F1401-L1403 HydrophobicContact CE1-CD1 4.32Å; F1401-L1403 HydrophobicContact CE1-CD2 4.27Å; F1401-L1403 HydrophobicContact CE1-CG 4.38Å; F1401-L1403 HydrophobicContact CZ-CB 4.13Å; F1401-L1403 HydrophobicContact CZ-CD1 4.21Å; F1401-L1403 HydrophobicContact CZ-CG 4.49Å; F1401-E1431 HydrophobicContact CD2-CG 4.3Å; F1401-E1431 HydrophobicContact CE1-CG 4.08Å; F1401-E1431 HydrophobicContact CE2-CG 3.79Å; F1401-E1431 VanDerWaalsContact CE2-OE1 3.27Å; F1401-E1431 WeakPolarHBondContact CE2-OE1 3.37Å; F1401-E1431 HydrophobicContact CZ-CG 3.88Å; F1401-E1431 WeakPolarHBondContact CZ-OE1 3.18Å; F1401-L1432 CarbonylContact C-O 3.59Å; F1401-L1432 WeakPolarHBondContact CA-O 3.47Å; F1401-V1433 HydrophobicContact CD2-CG2 3.92Å; F1401-V1433 HydrophobicContact CE2-CG2 4.2Å
1402	I	64.7	Low	62.6	Low	30.6 Å²	30.6	62.8 Å²	62.8	16%	0.157	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.9	171.5	-53.8	164.2	0	0	0	108.5	Q1390 I1391 L1400 L1430 E1431 L1432 L1434 L1780 F1782 Y1833	Q1390-I1402 CarbonylContact O-C 3.34Å; Q1390-I1402 WeakPolarHBondContact O-CA 3.28Å; Q1390-I1402 WeakPolarHBondContact O-CG2 3.2Å; I1391-I1402 HydrophobicContact CD1-CG2 4.1Å; I1391-I1402 HydrophobicContact CG1-CB 4.08Å; I1391-I1402 HydrophobicContact CG1-CD1 4.44Å; I1391-I1402 HydrophobicContact CG1-CG1 4.16Å; I1391-I1402 HydrophobicContact CG1-CG2 3.56Å; I1391-I1402 VanDerWaalsContact CG1-CG2 3.43Å; I1391-I1402 HydrophobicContact CG2-CG1 4.44Å; L1400-I1402 HydrophobicContact CD1-CD1 4.09Å; L1400-I1402 HydrophobicContact CD1-CG1 4.27Å; L1400-I1402 HydrophobicContact CD2-CD1 3.83Å; L1400-I1402 HydrophobicContact CD2-CG1 4.23Å; L1400-I1402 HydrophobicContact CG-CD1 4.03Å; L1400-I1402 VanDerWaalsContact CG-CD1 3.48Å; L1400-I1402 HydrophobicContact CG-CG1 4.12Å; I1402-L1430 HydrophobicContact CG2-CD2 4.26Å; I1402-L1430 WeakPolarHBondContact O-CD2 3.03Å; I1402-E1431 CarbonylContact O-C 3.5Å; I1402-E1431 VanDerWaalsContact O-C 3.32Å; I1402-E1431 WeakPolarHBondContact O-CA 2.93Å; I1402-E1431 WeakPolarHBondContact O-CG 3.49Å; I1402-L1432 HydrophobicContact CB-CB 4.18Å; I1402-L1432 HydrophobicContact CB-CD2 4.21Å; I1402-L1432 HydrophobicContact CD1-CD2 3.87Å; I1402-L1432 HydrophobicContact CG1-CB 4.11Å; I1402-L1432 HydrophobicContact CG1-CD2 4.11Å; I1402-L1432 PolarHBondContact N-O 2.97Å; I1402-L1432 PolarHBondContact O-N 2.94Å; I1402-L1434 HydrophobicContact CD1-CD1 4.18Å; I1402-L1780 HydrophobicContact CD1-CD1 3.44Å; I1402-L1780 VanDerWaalsContact CD1-CD1 3.44Å; I1402-L1780 HydrophobicContact CD1-CG 3.86Å; I1402-L1780 HydrophobicContact CG1-CD1 3.8Å; I1402-F1782 HydrophobicContact CB-CD2 4.3Å; I1402-F1782 HydrophobicContact CB-CE2 4.44Å; I1402-F1782 VanDerWaalsContact CD1-CA 3.44Å; I1402-F1782 HydrophobicContact CD1-CB 3.33Å; I1402-F1782 HydrophobicContact CD1-CD1 4.33Å; I1402-F1782 HydrophobicContact CD1-CD2 3.79Å; I1402-F1782 HydrophobicContact CD1-CG 3.57Å; I1402-F1782 HydrophobicContact CG2-CD1 3.71Å; I1402-F1782 HydrophobicContact CG2-CD2 3.53Å; I1402-F1782 HydrophobicContact CG2-CE1 3.6Å; I1402-F1782 HydrophobicContact CG2-CE2 3.42Å; I1402-F1782 VanDerWaalsContact CG2-CE2 3.42Å; I1402-F1782 HydrophobicContact CG2-CG 3.67Å; I1402-F1782 HydrophobicContact CG2-CZ 3.44Å; I1402-F1782 VanDerWaalsContact CG2-CZ 3.44Å; I1402-Y1833 HydrophobicContact CB-CD1 3.85Å; I1402-Y1833 HydrophobicContact CB-CE1 3.65Å; I1402-Y1833 HydrophobicContact CD1-CD1 3.23Å; I1402-Y1833 HydrophobicContact CD1-CD2 4.31Å; I1402-Y1833 HydrophobicContact CD1-CE1 3.42Å; I1402-Y1833 VanDerWaalsContact CD1-CE1 3.42Å; I1402-Y1833 HydrophobicContact CD1-CE2 4.43Å; I1402-Y1833 HydrophobicContact CD1-CG 3.76Å; I1402-Y1833 HydrophobicContact CG1-CD1 3.3Å; I1402-Y1833 HydrophobicContact CG1-CE1 3.62Å; I1402-Y1833 HydrophobicContact CG1-CG 4.19Å; I1402-Y1833 HydrophobicContact CG2-CD1 3.93Å; I1402-Y1833 HydrophobicContact CG2-CE1 3.78Å
1403	L	70.6	Confident	60.7	Low	20 Å²	20	67.6 Å²	67.6	11%	0.105	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.5	171.5	-177	96.8	0	0	0	109.7	N1389 Q1390 F1401 Q1405 Q1429 L1430 E1431	N1389-L1403 CarbonylContact C-O 3.47Å; N1389-L1403 WeakPolarHBondContact CA-O 3.16Å; N1389-L1403 WeakPolarHBondContact CB-O 3.45Å; Q1390-L1403 HydrophobicContact CB-CB 4.16Å; Q1390-L1403 HydrophobicContact CB-CD2 4.38Å; Q1390-L1403 HydrophobicContact CG-CB 4.09Å; Q1390-L1403 HydrophobicContact CG-CD2 4.13Å; Q1390-L1403 PolarHBondContact N-O 2.99Å; Q1390-L1403 PolarHBondContact O-N 3.11Å; F1401-L1403 HydrophobicContact CD1-CB 4.34Å; F1401-L1403 HydrophobicContact CE1-CB 3.81Å; F1401-L1403 HydrophobicContact CE1-CD1 4.32Å; F1401-L1403 HydrophobicContact CE1-CD2 4.27Å; F1401-L1403 HydrophobicContact CE1-CG 4.38Å; F1401-L1403 HydrophobicContact CZ-CB 4.13Å; F1401-L1403 HydrophobicContact CZ-CD1 4.21Å; F1401-L1403 HydrophobicContact CZ-CG 4.49Å; L1403-Q1405 HydrophobicContact CD2-CB 3.91Å; L1403-Q1429 HydrophobicContact CD1-CG 4.31Å; L1403-L1430 CarbonylContact C-O 3.5Å; L1403-L1430 VanDerWaalsContact CA-O 3.24Å; L1403-L1430 WeakPolarHBondContact CA-O 3.14Å; L1403-L1430 VanDerWaalsContact CD1-O 3.26Å; L1403-L1430 WeakPolarHBondContact CD1-O 3.48Å; L1403-L1430 VanDerWaalsContact CG-O 3.26Å; L1403-L1430 WeakPolarHBondContact CG-O 3.35Å; L1403-E1431 HydrophobicContact CD1-CB 4.17Å; L1403-E1431 HydrophobicContact CD1-CG 3.99Å; L1403-E1431 WeakPolarHBondContact CD1-OE2 3.45Å
1404	H	69.3	Low	59	Low	49.8 Å²	49.8	70.6 Å²	70.6	23%	0.231	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.4	164	173.5	82.4	0	0	0	108.8	I1387 K1388 N1389 T1406 Q1429 L1430 F1782 V1784	I1387-H1404 WeakPolarHBondContact CG2-CE1 3.42Å; K1388-H1404 CarbonylContact O-C 3.56Å; K1388-H1404 WeakPolarHBondContact O-CA 3.46Å; N1389-H1404 PolarHBondContact OD1-ND1 2.76Å; H1404-T1406 WeakPolarHBondContact NE2-CG2 3.42Å; H1404-Q1429 CarbonylContact O-C 3.57Å; H1404-Q1429 VanDerWaalsContact O-C 3.23Å; H1404-Q1429 WeakPolarHBondContact O-CA 3.39Å; H1404-L1430 HydrophobicContact CB-CB 4.33Å; H1404-L1430 HydrophobicContact CB-CD1 4.18Å; H1404-L1430 HydrophobicContact CB-CD2 4.36Å; H1404-L1430 HydrophobicContact CB-CG 4.49Å; H1404-L1430 PolarHBondContact N-O 3.12Å; H1404-L1430 VanDerWaalsContact O-CB 3.32Å; H1404-L1430 WeakPolarHBondContact O-CB 3.41Å; H1404-L1430 PolarHBondContact O-N 3.27Å; H1404-L1430 VanDerWaalsContact O-N 3.1Å; H1404-F1782 HydrophobicContact CB-CE1 4.49Å; H1404-F1782 HydrophobicContact CB-CZ 3.67Å; H1404-V1784 HydrophobicContact CB-CG2 4.18Å
1405	Q	68.4	Low	57.4	Low	24.8 Å²	24.8	75.7 Å²	75.7	12%	0.116	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	123.8	179.3	-172.6	-177	38.3	0	0	110.8	I1387 K1388 L1403 K1407 I1426 S1428 Q1429	I1387-Q1405 CarbonylContact C-O 3.37Å; I1387-Q1405 WeakPolarHBondContact CA-O 3.36Å; K1388-Q1405 HydrophobicContact CB-CB 4.38Å; K1388-Q1405 PolarHBondContact N-O 3.01Å; K1388-Q1405 PolarHBondContact O-N 2.98Å; L1403-Q1405 HydrophobicContact CD2-CB 3.91Å; Q1405-K1407 VanDerWaalsContact CD-CE 3.4Å; Q1405-K1407 HydrophobicContact CG-CG 4.21Å; Q1405-K1407 VanDerWaalsContact OE1-CE 3.27Å; Q1405-I1426 HydrophobicContact CG-CG2 4.23Å; Q1405-I1426 VanDerWaalsContact NE2-CD1 3.28Å; Q1405-S1428 CarbonylContact C-O 3.22Å; Q1405-S1428 WeakPolarHBondContact CA-O 3.28Å; Q1405-S1428 WeakPolarHBondContact CG-O 3.37Å; Q1405-Q1429 HydrophobicContact CB-CB 4.31Å; Q1405-Q1429 HydrophobicContact CB-CG 4.11Å; Q1405-Q1429 HydrophobicContact CG-CB 4.33Å; Q1405-Q1429 HydrophobicContact CG-CG 4.36Å
1406	T	64.8	Low	55.9	Low	19.2 Å²	19.2	79.4 Å²	79.4	12%	0.118	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129	173	62.8	0	0	0	0	110.3	I1386 I1387 H1404 I1426 I1427 S1428	I1386-T1406 CarbonylContact O-C 3.37Å; I1386-T1406 VanDerWaalsContact O-CA 3.23Å; I1386-T1406 WeakPolarHBondContact O-CA 3.13Å; I1387-T1406 HydrophobicContact CB-CG2 4.19Å; I1387-T1406 HydrophobicContact CD1-CG2 4.28Å; I1387-T1406 HydrophobicContact CG1-CG2 4.17Å; I1387-T1406 HydrophobicContact CG2-CG2 4.2Å; H1404-T1406 WeakPolarHBondContact NE2-CG2 3.42Å; T1406-I1426 CarbonylContact O-C 3.02Å; T1406-I1426 WeakPolarHBondContact O-CA 3.32Å; T1406-I1426 WeakPolarHBondContact O-CG2 3.24Å; T1406-I1427 PolarHBondContact O-N 2.94Å; T1406-I1427 VanDerWaalsContact O-N 3.07Å; T1406-I1427 WeakPolarHBondContact OG1-CB 3.37Å; T1406-S1428 WeakPolarHBondContact CB-OG 3.4Å; T1406-S1428 WeakPolarHBondContact CG2-OG 3.36Å; T1406-S1428 PolarHBondContact N-O 3.04Å; T1406-S1428 VanDerWaalsContact N-O 3.09Å; T1406-S1428 PolarHBondContact N-OG 2.88Å; T1406-S1428 PolarHBondContact O-N 2.86Å; T1406-S1428 WeakPolarHBondContact OG1-CB 3.44Å; T1406-S1428 PolarHBondContact OG1-N 3.16Å; T1406-S1428 VanDerWaalsContact OG1-N 3.13Å; T1406-S1428 PolarHBondContact OG1-O 3.15Å; T1406-S1428 PolarHBondContact OG1-OG 2.92Å
1407	K	70.7	Confident	54.3	Low	37.8 Å²	37.8	82.7 Å²	82.7	16%	0.164	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.3	178.3	-61.8	-168.2	177.8	-168.6	0	110.6	F1385 I1386 Q1405 E1424 D1425 I1426	F1385-K1407 CarbonylContact C-O 3.45Å; F1385-K1407 WeakPolarHBondContact CA-O 3.19Å; F1385-K1407 WeakPolarHBondContact CB-O 3.33Å; I1386-K1407 HydrophobicContact CB-CB 4.24Å; I1386-K1407 HydrophobicContact CD1-CD 4.42Å; I1386-K1407 HydrophobicContact CG1-CB 4.43Å; I1386-K1407 PolarHBondContact N-O 3.02Å; I1386-K1407 VanDerWaalsContact N-O 3.14Å; I1386-K1407 PolarHBondContact O-N 2.76Å; Q1405-K1407 VanDerWaalsContact CD-CE 3.4Å; Q1405-K1407 HydrophobicContact CG-CG 4.21Å; Q1405-K1407 VanDerWaalsContact OE1-CE 3.27Å; K1407-E1424 HydrophobicContact CD-CB 4.16Å; K1407-E1424 HydrophobicContact CD-CG 4.41Å; K1407-E1424 VanDerWaalsContact CD-OE1 3.22Å; K1407-E1424 WeakPolarHBondContact CD-OE1 3.32Å; K1407-E1424 WeakPolarHBondContact CD-OE2 3.29Å; K1407-E1424 WeakPolarHBondContact CE-OE2 3.34Å; K1407-E1424 IonicContact NZ-OE1 2.6Å; K1407-E1424 PolarHBondContact NZ-OE1 2.78Å; K1407-E1424 IonicContact NZ-OE2 2.86Å; K1407-E1424 PolarHBondContact NZ-OE2 2.91Å; K1407-D1425 CarbonylContact C-O 3.32Å; K1407-D1425 VanDerWaalsContact CA-O 3.29Å; K1407-D1425 WeakPolarHBondContact CA-O 3.33Å; K1407-I1426 HydrophobicContact CD-CG1 4Å; K1407-I1426 HydrophobicContact CG-CG1 4.2Å
1408	R	63.2	Low	52.7	Low	111.6 Å²	111.6	83.1 Å²	83.1	42%	0.421	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.6	170.9	-161.2	177.1	177.5	172.7	-1.5	110.8	Y1384 F1385 N1410 D1425 I1427	Y1384-R1408 WeakPolarHBondContact O-CA 3.29Å; Y1384-R1408 WeakPolarHBondContact O-CG 3.02Å; F1385-R1408 HydrophobicContact CD1-CB 4.3Å; F1385-R1408 HydrophobicContact CD1-CG 4.11Å; F1385-R1408 HydrophobicContact CE1-CB 4.22Å; F1385-R1408 HydrophobicContact CE1-CG 4.12Å; R1408-N1410 PolarHBondContact O-N 2.88Å; R1408-D1425 HydrophobicContact CB-CB 4.3Å; R1408-D1425 PolarHBondContact N-O 2.86Å; R1408-D1425 PolarHBondContact O-N 2.74Å; R1408-I1427 HydrophobicContact CB-CD1 3.86Å; R1408-I1427 HydrophobicContact CB-CG1 4.24Å; R1408-I1427 HydrophobicContact CG-CD1 4.4Å
1409	F	57.8	Low	51.2	Low	57 Å²	57	85.2 Å²	85.2	25%	0.25	45%	0.446	C	S	.	.			trans	-86.6	120.4	160.9	-79.9	-75.3	0	0	0	109.5	K1383 Y1384 I1386 T1411 E1424	K1383-F1409 HydrophobicContact CB-CD2 4.1Å; K1383-F1409 HydrophobicContact CB-CE2 4.14Å; K1383-F1409 HydrophobicContact CB-CG 4.44Å; K1383-F1409 HydrophobicContact CD-CD2 3.89Å; K1383-F1409 HydrophobicContact CD-CE1 4.41Å; K1383-F1409 HydrophobicContact CD-CE2 3.82Å; K1383-F1409 HydrophobicContact CD-CG 4.15Å; K1383-F1409 HydrophobicContact CD-CZ 4.06Å; K1383-F1409 HydrophobicContact CG-CD2 3.87Å; K1383-F1409 HydrophobicContact CG-CE2 4.07Å; K1383-F1409 HydrophobicContact CG-CG 4.23Å; K1383-F1409 VanDerWaalsContact NZ-CE2 3.32Å; K1383-F1409 WeakPolarHBondContact O-CB 3.31Å; Y1384-F1409 PolarHBondContact O-N 2.93Å; I1386-F1409 HydrophobicContact CB-CE2 4.2Å; I1386-F1409 HydrophobicContact CD1-CE1 4.38Å; I1386-F1409 HydrophobicContact CD1-CE2 3.53Å; I1386-F1409 VanDerWaalsContact CD1-CE2 3.45Å; I1386-F1409 HydrophobicContact CD1-CZ 3.64Å; I1386-F1409 HydrophobicContact CG1-CD2 4.32Å; I1386-F1409 HydrophobicContact CG1-CE2 3.57Å; I1386-F1409 HydrophobicContact CG1-CZ 4.01Å; F1409-T1411 VanDerWaalsContact C-N 3.26Å; F1409-T1411 HydrophobicContact CB-CG2 4.29Å; F1409-T1411 PolarHBondContact O-N 3.09Å; F1409-E1424 HydrophobicContact CE1-CG 4.25Å; F1409-E1424 WeakPolarHBondContact CZ-OE1 3.16Å
1410	N	50.4	Low	49.7	Very low	78.2 Å²	78.2	88.8 Å²	88.8	42%	0.418	47%	0.467	S	S	.	.			trans	-81.8	95	168.5	-78.2	-26.3	0	0	0	109	R1408 T1412 N1423 D1425	R1408-N1410 PolarHBondContact O-N 2.88Å; N1410-T1412 PolarHBondContact O-N 3.03Å; N1410-T1412 VanDerWaalsContact O-N 3.14Å; N1410-N1423 PolarHBondContact ND2-O 2.88Å; N1410-D1425 PolarHBondContact ND2-OD2 3.01Å
1411	T	43.1	Very low	48.1	Very low	91.6 Å²	91.6	90.9 Å²	90.9	56%	0.562	48%	0.484	S	S	*	.			trans	-78.7	79	172.4	53	0	0	0	0	110.2	K1383 F1409 N1413	K1383-T1411 WeakPolarHBondContact O-CG2 3.25Å; F1409-T1411 VanDerWaalsContact C-N 3.26Å; F1409-T1411 HydrophobicContact CB-CG2 4.29Å; F1409-T1411 PolarHBondContact O-N 3.09Å; T1411-N1413 PolarHBondContact O-N 3.02Å; T1411-N1413 VanDerWaalsContact O-N 3.11Å
1412	T	36.6	Very low	46.7	Very low	110.6 Å²	110.6	94.5 Å²	94.5	68%	0.679	51%	0.506	S	S	*	.			trans	-73.4	110.8	165.9	47.7	0	0	0	0	109.5	N1410 T1414	N1410-T1412 PolarHBondContact O-N 3.03Å; N1410-T1412 VanDerWaalsContact O-N 3.14Å; T1412-T1414 VanDerWaalsContact C-N 3.25Å; T1412-T1414 PolarHBondContact O-N 3.29Å
1413	N	33	Very low	45.5	Very low	148 Å²	148	98 Å²	98	79%	0.791	53%	0.525	S	S	*	.			trans	-75.4	96.1	166.8	-82.8	-15.1	0	0	0	111.2	T1411	T1411-N1413 PolarHBondContact O-N 3.02Å; T1411-N1413 VanDerWaalsContact O-N 3.11Å
1414	T	31.8	Very low	44.2	Very low	108 Å²	108	101.2 Å²	101.2	66%	0.663	54%	0.54	S	S	*	.			trans	-143.3	115.1	158.2	50.4	0	0	0	0	111.3	T1412 Q1416	T1412-T1414 VanDerWaalsContact C-N 3.25Å; T1412-T1414 PolarHBondContact O-N 3.29Å; T1414-Q1416 PolarHBondContact O-N 2.88Å
1415	N	35.7	Very low	43.3	Very low	166 Å²	166	102.8 Å²	102.8	89%	0.888	55%	0.55	S	S	*	*			trans	-56.7	61.1	174.7	-69.3	-17.4	0	0	0	114.8
1416	Q	30.6	Very low	42.3	Very low	166.4 Å²	166.4	105.6 Å²	105.6	78%	0.778	57%	0.565	S	S	*	*			trans	-137.9	108.1	173.4	-67.7	-174.9	-14.6	0	0	111.5	T1414 S1418	T1414-Q1416 PolarHBondContact O-N 2.88Å; Q1416-S1418 PolarHBondContact O-N 3.01Å
1417	L	29.4	Very low	41.7	Very low	180.6 Å²	180.6	108.9 Å²	108.9	95%	0.946	58%	0.581	S	S	*	*			trans	-84.7	65.8	172.3	-93.1	119.9	0	0	0	111.5
1418	S	28.5	Very low	40.6	Very low	84 Å²	84	108.8 Å²	108.8	59%	0.587	59%	0.585	S	S	*	*	S	Bend	trans	-135.3	119.2	172.9	55.3	0	0	0	0	112.2	Q1416 I1420	Q1416-S1418 PolarHBondContact O-N 3.01Å; S1418-I1420 VanDerWaalsContact C-N 3.26Å; S1418-I1420 PolarHBondContact O-N 3.02Å
1419	N	32.2	Very low	40.2	Very low	140.8 Å²	140.8	107.5 Å²	107.5	75%	0.753	58%	0.584	S	S	*	*			trans	71.2	55.5	163.1	-58.5	-15.6	0	0	0	117.1	S1421 N1886 S1888	N1419-S1421 VanDerWaalsContact C-N 3.33Å; N1419-S1421 PolarHBondContact O-N 3Å; N1419-N1886 HydrophobicContact CB-CB 4.18Å; N1419-N1886 WeakPolarHBondContact CB-O 3.49Å; N1419-N1886 WeakPolarHBondContact ND2-CB 3.42Å; N1419-N1886 PolarHBondContact ND2-ND2 3.02Å; N1419-N1886 PolarHBondContact ND2-OD1 2.64Å; N1419-N1886 VanDerWaalsContact ND2-OD1 3.17Å; N1419-S1888 WeakPolarHBondContact O-CB 3.35Å
1420	I	32	Very low	39.7	Very low	148.4 Å²	148.4	107.6 Å²	107.6	76%	0.761	59%	0.587	S	S	*	*			trans	-79.4	100.5	155.2	-58.8	173.3	0	0	0	107.3	S1418 N1422	S1418-I1420 VanDerWaalsContact C-N 3.26Å; S1418-I1420 PolarHBondContact O-N 3.02Å; I1420-N1422 WeakPolarHBondContact CG2-OD1 3.23Å; I1420-N1422 PolarHBondContact O-N 3.46Å
1421	S	33.8	Very low	39.9	Very low	73.6 Å²	73.6	108.2 Å²	108.2	52%	0.515	59%	0.587	S	S	.	*			trans	-66.7	129	169	48.9	0	0	0	0	110	N1419 N1423 F1889	N1419-S1421 VanDerWaalsContact C-N 3.33Å; N1419-S1421 PolarHBondContact O-N 3Å; S1421-N1423 VanDerWaalsContact C-N 3.27Å; S1421-N1423 PolarHBondContact O-N 3.05Å; S1421-N1423 PolarHBondContact O-OD1 2.83Å; S1421-N1423 PolarHBondContact OG-OD1 2.8Å; S1421-F1889 PolarHBondContact OG-N 2.95Å
1422	N	34.8	Very low	40	Very low	137.2 Å²	137.2	106.2 Å²	106.2	73%	0.734	57%	0.572	S	S	*	*			trans	-42.1	82.2	170.2	-66.9	-13.1	0	0	0	112.9	I1420 E1424	I1420-N1422 WeakPolarHBondContact CG2-OD1 3.23Å; I1420-N1422 PolarHBondContact O-N 3.46Å; N1422-E1424 VanDerWaalsContact C-N 3.28Å; N1422-E1424 HydrophobicContact CB-CG 4.2Å; N1422-E1424 PolarHBondContact ND2-OE2 3.25Å; N1422-E1424 PolarHBondContact O-N 3.05Å
1423	N	39.3	Very low	40.7	Very low	103.4 Å²	103.4	103.5 Å²	103.5	55%	0.553	56%	0.556	S	S	*	*			trans	-95.8	81.5	163.5	-73.1	-2.2	0	0	0	108.1	N1410 S1421 D1425	N1410-N1423 PolarHBondContact ND2-O 2.88Å; S1421-N1423 VanDerWaalsContact C-N 3.27Å; S1421-N1423 PolarHBondContact O-N 3.05Å; S1421-N1423 PolarHBondContact O-OD1 2.83Å; S1421-N1423 PolarHBondContact OG-OD1 2.8Å; N1423-D1425 VanDerWaalsContact C-N 3.29Å; N1423-D1425 PolarHBondContact O-N 2.8Å; N1423-D1425 VanDerWaalsContact O-N 3.13Å
1424	E	42.2	Very low	41.2	Very low	88.6 Å²	88.6	98.5 Å²	98.5	41%	0.414	53%	0.529	S	S	.	.			trans	-76.2	101.5	163	-66.7	-176	154.7	0	0	107.4	K1407 F1409 N1422 I1426	K1407-E1424 HydrophobicContact CD-CB 4.16Å; K1407-E1424 HydrophobicContact CD-CG 4.41Å; K1407-E1424 VanDerWaalsContact CD-OE1 3.22Å; K1407-E1424 WeakPolarHBondContact CD-OE1 3.32Å; K1407-E1424 WeakPolarHBondContact CD-OE2 3.29Å; K1407-E1424 WeakPolarHBondContact CE-OE2 3.34Å; K1407-E1424 IonicContact NZ-OE1 2.6Å; K1407-E1424 PolarHBondContact NZ-OE1 2.78Å; K1407-E1424 IonicContact NZ-OE2 2.86Å; K1407-E1424 PolarHBondContact NZ-OE2 2.91Å; F1409-E1424 HydrophobicContact CE1-CG 4.25Å; F1409-E1424 WeakPolarHBondContact CZ-OE1 3.16Å; N1422-E1424 VanDerWaalsContact C-N 3.28Å; N1422-E1424 HydrophobicContact CB-CG 4.2Å; N1422-E1424 PolarHBondContact ND2-OE2 3.25Å; N1422-E1424 PolarHBondContact O-N 3.05Å; E1424-I1426 VanDerWaalsContact C-N 3.33Å; E1424-I1426 PolarHBondContact O-N 3.04Å
1425	D	50.7	Low	41.8	Very low	82.6 Å²	82.6	97.4 Å²	97.4	44%	0.442	52%	0.516	S	S	.	.			trans	-73.1	110.2	176.6	-69.4	-26.4	0	0	0	109.2	K1407 R1408 N1410 N1423 I1427	K1407-D1425 CarbonylContact C-O 3.32Å; K1407-D1425 VanDerWaalsContact CA-O 3.29Å; K1407-D1425 WeakPolarHBondContact CA-O 3.33Å; R1408-D1425 HydrophobicContact CB-CB 4.3Å; R1408-D1425 PolarHBondContact N-O 2.86Å; R1408-D1425 PolarHBondContact O-N 2.74Å; N1410-D1425 PolarHBondContact ND2-OD2 3.01Å; N1423-D1425 VanDerWaalsContact C-N 3.29Å; N1423-D1425 PolarHBondContact O-N 2.8Å; N1423-D1425 VanDerWaalsContact O-N 3.13Å; D1425-I1427 PolarHBondContact O-N 2.82Å
1426	I	48.3	Very low	42.1	Very low	83.4 Å²	83.4	93.3 Å²	93.3	43%	0.428	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	112.4	171.3	-60.8	169.6	0	0	0	107.1	Q1405 T1406 K1407 E1424 S1428 Q1429	Q1405-I1426 HydrophobicContact CG-CG2 4.23Å; Q1405-I1426 VanDerWaalsContact NE2-CD1 3.28Å; T1406-I1426 CarbonylContact O-C 3.02Å; T1406-I1426 WeakPolarHBondContact O-CA 3.32Å; T1406-I1426 WeakPolarHBondContact O-CG2 3.24Å; K1407-I1426 HydrophobicContact CD-CG1 4Å; K1407-I1426 HydrophobicContact CG-CG1 4.2Å; E1424-I1426 VanDerWaalsContact C-N 3.33Å; E1424-I1426 PolarHBondContact O-N 3.04Å; I1426-S1428 WeakPolarHBondContact CG2-O 3.43Å; I1426-Q1429 HydrophobicContact CG2-CB 4.05Å
1427	I	50.8	Low	42.5	Very low	88.8 Å²	88.8	93.2 Å²	93.2	46%	0.455	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-37.5	179.5	-62.4	165.4	0	0	0	110.2	F1385 T1406 R1408 D1425	F1385-I1427 HydrophobicContact CD1-CD1 4.1Å; F1385-I1427 HydrophobicContact CE1-CD1 3.82Å; T1406-I1427 PolarHBondContact O-N 2.94Å; T1406-I1427 VanDerWaalsContact O-N 3.07Å; T1406-I1427 WeakPolarHBondContact OG1-CB 3.37Å; R1408-I1427 HydrophobicContact CB-CD1 3.86Å; R1408-I1427 HydrophobicContact CB-CG1 4.24Å; R1408-I1427 HydrophobicContact CG-CD1 4.4Å; D1425-I1427 PolarHBondContact O-N 2.82Å
1428	S	49.2	Very low	42.7	Very low	37 Å²	37	92.8 Å²	92.8	26%	0.259	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	150	177.9	69.8	0	0	0	0	112.4	Q1405 T1406 I1426	Q1405-S1428 CarbonylContact C-O 3.22Å; Q1405-S1428 WeakPolarHBondContact CA-O 3.28Å; Q1405-S1428 WeakPolarHBondContact CG-O 3.37Å; T1406-S1428 WeakPolarHBondContact CB-OG 3.4Å; T1406-S1428 WeakPolarHBondContact CG2-OG 3.36Å; T1406-S1428 PolarHBondContact N-O 3.04Å; T1406-S1428 VanDerWaalsContact N-O 3.09Å; T1406-S1428 PolarHBondContact N-OG 2.88Å; T1406-S1428 PolarHBondContact O-N 2.86Å; T1406-S1428 WeakPolarHBondContact OG1-CB 3.44Å; T1406-S1428 PolarHBondContact OG1-N 3.16Å; T1406-S1428 VanDerWaalsContact OG1-N 3.13Å; T1406-S1428 PolarHBondContact OG1-O 3.15Å; T1406-S1428 PolarHBondContact OG1-OG 2.92Å; I1426-S1428 WeakPolarHBondContact CG2-O 3.43Å
1429	Q	54.1	Low	42.9	Very low	83.4 Å²	83.4	94.8 Å²	94.8	39%	0.39	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	0	172.3	-172.6	170	-20.9	0	0	111	L1403 H1404 Q1405 I1426 E1431	L1403-Q1429 HydrophobicContact CD1-CG 4.31Å; H1404-Q1429 CarbonylContact O-C 3.57Å; H1404-Q1429 VanDerWaalsContact O-C 3.23Å; H1404-Q1429 WeakPolarHBondContact O-CA 3.39Å; Q1405-Q1429 HydrophobicContact CB-CB 4.31Å; Q1405-Q1429 HydrophobicContact CB-CG 4.11Å; Q1405-Q1429 HydrophobicContact CG-CB 4.33Å; Q1405-Q1429 HydrophobicContact CG-CG 4.36Å; I1426-Q1429 HydrophobicContact CG2-CB 4.05Å; Q1429-E1431 HydrophobicContact CG-CG 4.36Å; Q1429-E1431 PolarHBondContact NE2-OE1 3.25Å
1430	L	47.7	Very low	42.8	Very low	58.2 Å²	58.2	95 Å²	95	31%	0.305	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-174.9	141.4	0	0	0	112.6	I1402 L1403 H1404 L1432 F1457 F1782 V1784 I1803 K1832 Y1833	I1402-L1430 HydrophobicContact CG2-CD2 4.26Å; I1402-L1430 WeakPolarHBondContact O-CD2 3.03Å; L1403-L1430 CarbonylContact C-O 3.5Å; L1403-L1430 VanDerWaalsContact CA-O 3.24Å; L1403-L1430 WeakPolarHBondContact CA-O 3.14Å; L1403-L1430 VanDerWaalsContact CD1-O 3.26Å; L1403-L1430 WeakPolarHBondContact CD1-O 3.48Å; L1403-L1430 VanDerWaalsContact CG-O 3.26Å; L1403-L1430 WeakPolarHBondContact CG-O 3.35Å; H1404-L1430 HydrophobicContact CB-CB 4.33Å; H1404-L1430 HydrophobicContact CB-CD1 4.18Å; H1404-L1430 HydrophobicContact CB-CD2 4.36Å; H1404-L1430 HydrophobicContact CB-CG 4.49Å; H1404-L1430 PolarHBondContact N-O 3.12Å; H1404-L1430 VanDerWaalsContact O-CB 3.32Å; H1404-L1430 WeakPolarHBondContact O-CB 3.41Å; H1404-L1430 PolarHBondContact O-N 3.27Å; H1404-L1430 VanDerWaalsContact O-N 3.1Å; L1430-L1432 HydrophobicContact CD2-CB 4.2Å; L1430-F1457 HydrophobicContact CD1-CE2 3.57Å; L1430-F1457 HydrophobicContact CD1-CZ 3.71Å; L1430-F1457 HydrophobicContact CG-CE2 4.48Å; L1430-F1782 HydrophobicContact CD1-CE2 3.72Å; L1430-F1782 HydrophobicContact CD1-CZ 4.22Å; L1430-F1782 HydrophobicContact CD2-CD2 4.44Å; L1430-F1782 HydrophobicContact CD2-CE2 3.45Å; L1430-F1782 VanDerWaalsContact CD2-CE2 3.45Å; L1430-F1782 HydrophobicContact CD2-CZ 3.98Å; L1430-F1782 HydrophobicContact CG-CE2 4.27Å; L1430-V1784 HydrophobicContact CD1-CB 4.27Å; L1430-V1784 HydrophobicContact CD1-CG1 4.06Å; L1430-V1784 HydrophobicContact CD1-CG2 3.84Å; L1430-I1803 HydrophobicContact CB-CD1 4Å; L1430-I1803 HydrophobicContact CD1-CB 4.26Å; L1430-I1803 HydrophobicContact CD1-CD1 3.63Å; L1430-I1803 HydrophobicContact CD1-CG1 3.48Å; L1430-I1803 VanDerWaalsContact CD1-CG1 3.48Å; L1430-I1803 HydrophobicContact CD1-CG2 3.82Å; L1430-I1803 HydrophobicContact CD2-CG2 4.29Å; L1430-I1803 HydrophobicContact CG-CD1 3.57Å; L1430-I1803 HydrophobicContact CG-CG1 3.93Å; L1430-I1803 HydrophobicContact CG-CG2 3.83Å; L1430-K1832 HydrophobicContact CD2-CD 3.74Å; L1430-Y1833 WeakPolarHBondContact CD2-OH 3.02Å
1431	E	53.3	Low	42.6	Very low	92.2 Å²	92.2	94 Å²	94	43%	0.431	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-122.8	168.1	142.3	0	0	114	F1401 I1402 L1403 Q1429 V1433 Y1833	F1401-E1431 HydrophobicContact CD2-CG 4.3Å; F1401-E1431 HydrophobicContact CE1-CG 4.08Å; F1401-E1431 HydrophobicContact CE2-CG 3.79Å; F1401-E1431 VanDerWaalsContact CE2-OE1 3.27Å; F1401-E1431 WeakPolarHBondContact CE2-OE1 3.37Å; F1401-E1431 HydrophobicContact CZ-CG 3.88Å; F1401-E1431 WeakPolarHBondContact CZ-OE1 3.18Å; I1402-E1431 CarbonylContact O-C 3.5Å; I1402-E1431 VanDerWaalsContact O-C 3.32Å; I1402-E1431 WeakPolarHBondContact O-CA 2.93Å; I1402-E1431 WeakPolarHBondContact O-CG 3.49Å; L1403-E1431 HydrophobicContact CD1-CB 4.17Å; L1403-E1431 HydrophobicContact CD1-CG 3.99Å; L1403-E1431 WeakPolarHBondContact CD1-OE2 3.45Å; Q1429-E1431 HydrophobicContact CG-CG 4.36Å; Q1429-E1431 PolarHBondContact NE2-OE1 3.25Å; E1431-V1433 HydrophobicContact CG-CG2 4.3Å; E1431-Y1833 WeakPolarHBondContact CA-OH 3.46Å; E1431-Y1833 PolarHBondContact N-OH 3.15Å; E1431-Y1833 PolarHBondContact O-OH 2.87Å
1432	L	46	Very low	42.4	Very low	48.4 Å²	48.4	97.6 Å²	97.6	25%	0.253	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-150.9	118.5	0	0	0	117.8	L1400 F1401 I1402 L1430 L1434 I1455 I1803 I1805 K1823 Y1833	L1400-L1432 CarbonylContact C-O 3.46Å; L1400-L1432 HydrophobicContact CD2-CD2 4.48Å; L1400-L1432 WeakPolarHBondContact CD2-O 2.94Å; L1400-L1432 CarbonylContact O-C 3.49Å; F1401-L1432 CarbonylContact C-O 3.59Å; F1401-L1432 WeakPolarHBondContact CA-O 3.47Å; I1402-L1432 HydrophobicContact CB-CB 4.18Å; I1402-L1432 HydrophobicContact CB-CD2 4.21Å; I1402-L1432 HydrophobicContact CD1-CD2 3.87Å; I1402-L1432 HydrophobicContact CG1-CB 4.11Å; I1402-L1432 HydrophobicContact CG1-CD2 4.11Å; I1402-L1432 PolarHBondContact N-O 2.97Å; I1402-L1432 PolarHBondContact O-N 2.94Å; L1430-L1432 HydrophobicContact CD2-CB 4.2Å; L1432-L1434 HydrophobicContact CD2-CD1 3.66Å; L1432-L1434 VanDerWaalsContact CD2-CD1 3.49Å; L1432-L1434 HydrophobicContact CD2-CD2 3.98Å; L1432-L1434 HydrophobicContact CD2-CG 3.81Å; L1432-L1434 HydrophobicContact CG-CD1 4.49Å; L1432-L1434 HydrophobicContact CG-CD2 4.23Å; L1432-L1434 HydrophobicContact CG-CG 4.26Å; L1432-I1455 HydrophobicContact CD1-CG1 4.38Å; L1432-I1803 HydrophobicContact CD1-CG2 4.05Å; L1432-I1805 HydrophobicContact CD1-CB 3.8Å; L1432-I1805 HydrophobicContact CD1-CD1 3.13Å; L1432-I1805 HydrophobicContact CD1-CG1 3.64Å; L1432-I1805 HydrophobicContact CD1-CG2 3.29Å; L1432-I1805 HydrophobicContact CD2-CB 3.92Å; L1432-I1805 HydrophobicContact CD2-CD1 3.16Å; L1432-I1805 HydrophobicContact CD2-CG1 3.52Å; L1432-I1805 HydrophobicContact CD2-CG2 3.64Å; L1432-I1805 HydrophobicContact CG-CB 4.07Å; L1432-I1805 HydrophobicContact CG-CD1 3.62Å; L1432-I1805 HydrophobicContact CG-CG1 3.99Å; L1432-I1805 HydrophobicContact CG-CG2 3.38Å; L1432-K1823 HydrophobicContact CD1-CD 3.92Å; L1432-Y1833 VanDerWaalsContact CA-CE2 3.44Å; L1432-Y1833 HydrophobicContact CB-CD2 4.38Å; L1432-Y1833 HydrophobicContact CB-CE2 3.77Å; L1432-Y1833 PolarHBondContact N-OH 3.41Å; L1432-Y1833 WeakPolarHBondContact O-CD2 3.29Å
1433	V	50.6	Low	42.1	Very low	55.4 Å²	55.4	97.1 Å²	97.1	34%	0.336	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-151.7	0	0	0	0	115.6	K1399 L1400 F1401 E1431 Q1807 S1808 F1819 E1821 Y1835	K1399-V1433 HydrophobicContact CB-CG1 3.62Å; K1399-V1433 HydrophobicContact CD-CG1 3.86Å; K1399-V1433 HydrophobicContact CG-CG1 3.72Å; L1400-V1433 HydrophobicContact CB-CG2 4.06Å; L1400-V1433 HydrophobicContact CD2-CB 4.46Å; L1400-V1433 HydrophobicContact CD2-CG1 3.85Å; L1400-V1433 HydrophobicContact CD2-CG2 4.04Å; L1400-V1433 WeakPolarHBondContact O-CA 3.44Å; L1400-V1433 PolarHBondContact O-N 3.42Å; F1401-V1433 HydrophobicContact CD2-CG2 3.92Å; F1401-V1433 HydrophobicContact CE2-CG2 4.2Å; E1431-V1433 HydrophobicContact CG-CG2 4.3Å; V1433-Q1807 WeakPolarHBondContact O-CB 3.5Å; V1433-Q1807 PolarHBondContact O-N 2.8Å; V1433-S1808 PolarHBondContact O-N 3.06Å; V1433-S1808 VanDerWaalsContact O-N 3.1Å; V1433-S1808 PolarHBondContact O-OG 3.35Å; V1433-S1808 VanDerWaalsContact O-OG 3.05Å; V1433-F1819 HydrophobicContact CB-CE1 4.17Å; V1433-F1819 HydrophobicContact CB-CZ 4.5Å; V1433-F1819 HydrophobicContact CG1-CD1 3.61Å; V1433-F1819 HydrophobicContact CG1-CE1 3.43Å; V1433-F1819 VanDerWaalsContact CG1-CE1 3.43Å; V1433-F1819 HydrophobicContact CG1-CG 4.26Å; V1433-F1819 HydrophobicContact CG1-CZ 4Å; V1433-E1821 WeakPolarHBondContact CA-OE2 3.04Å; V1433-E1821 PolarHBondContact N-OE2 2.65Å; V1433-Y1835 HydrophobicContact CG1-CD2 4.02Å; V1433-Y1835 HydrophobicContact CG1-CE2 3.83Å
1434	L	44.9	Very low	41.8	Very low	43 Å²	43	96.5 Å²	96.5	23%	0.225	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-69.2	173.8	0	0	0	116.3	K1399 L1400 I1402 L1432 F1436 L1445 C1451 D1779 R1781 S1794 I1805 N1806 Q1807 F1819 E1821	K1399-L1434 WeakPolarHBondContact CA-O 3.41Å; L1400-L1434 HydrophobicContact CB-CB 4.37Å; L1400-L1434 HydrophobicContact CB-CG 4.41Å; L1400-L1434 HydrophobicContact CD2-CB 3.86Å; L1400-L1434 HydrophobicContact CD2-CD1 3.91Å; L1400-L1434 HydrophobicContact CD2-CG 3.35Å; L1400-L1434 PolarHBondContact N-O 2.77Å; L1400-L1434 PolarHBondContact O-N 3.36Å; L1400-L1434 VanDerWaalsContact O-N 3.09Å; I1402-L1434 HydrophobicContact CD1-CD1 4.18Å; L1432-L1434 HydrophobicContact CD2-CD1 3.66Å; L1432-L1434 VanDerWaalsContact CD2-CD1 3.49Å; L1432-L1434 HydrophobicContact CD2-CD2 3.98Å; L1432-L1434 HydrophobicContact CD2-CG 3.81Å; L1432-L1434 HydrophobicContact CG-CD1 4.49Å; L1432-L1434 HydrophobicContact CG-CD2 4.23Å; L1432-L1434 HydrophobicContact CG-CG 4.26Å; L1434-F1436 HydrophobicContact CB-CE2 4.32Å; L1434-F1436 HydrophobicContact CB-CZ 4.23Å; L1434-F1436 HydrophobicContact CD1-CZ 4.45Å; L1434-L1445 HydrophobicContact CD2-CD1 4.26Å; L1434-L1445 HydrophobicContact CD2-CD2 3.72Å; L1434-L1445 HydrophobicContact CD2-CG 4.4Å; L1434-C1451 VanDerWaalsContact CD2-SG 3.58Å; L1434-D1779 CarbonylContact C-O 3.45Å; L1434-D1779 VanDerWaalsContact CB-O 3.24Å; L1434-D1779 WeakPolarHBondContact CB-O 3.43Å; L1434-D1779 WeakPolarHBondContact O-CB 3.48Å; L1434-R1781 HydrophobicContact CD1-CB 3.82Å; L1434-R1781 WeakPolarHBondContact CD1-O 3.44Å; L1434-S1794 WeakPolarHBondContact CB-OG 3.13Å; L1434-I1805 HydrophobicContact CD2-CB 3.79Å; L1434-I1805 HydrophobicContact CD2-CG1 4.4Å; L1434-I1805 HydrophobicContact CD2-CG2 3.37Å; L1434-N1806 HydrophobicContact CD2-CB 4.47Å; L1434-Q1807 VanDerWaalsContact C-CG 3.45Å; L1434-Q1807 WeakPolarHBondContact O-CG 3.34Å; L1434-Q1807 PolarHBondContact O-NE2 3.02Å; L1434-Q1807 VanDerWaalsContact O-NE2 3.15Å; L1434-Q1807 PolarHBondContact O-OE1 3.46Å; L1434-F1819 HydrophobicContact CB-CE2 4.23Å; L1434-F1819 HydrophobicContact CB-CZ 4.32Å; L1434-F1819 WeakPolarHBondContact O-CD2 3.1Å; L1434-F1819 WeakPolarHBondContact O-CE2 3.25Å; L1434-E1821 HydrophobicContact CB-CG 4.36Å
1435	Q	44.5	Very low	41.1	Very low	84 Å²	84	98.6 Å²	98.6	39%	0.393	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-140.4	168.2	-1.7	0	0	116.9	Q1398 K1399 Y1437 C1451 D1779 N1791 I1796 Q1807	Q1398-Q1435 VanDerWaalsContact OE1-NE2 3.15Å; K1399-Q1435 HydrophobicContact CG-CB 4.25Å; K1399-Q1435 HydrophobicContact CG-CG 4.08Å; Q1435-Y1437 HydrophobicContact CB-CE2 4.26Å; Q1435-Y1437 VanDerWaalsContact CD-OH 3.23Å; Q1435-Y1437 HydrophobicContact CG-CD2 4.37Å; Q1435-Y1437 HydrophobicContact CG-CE1 4.44Å; Q1435-Y1437 HydrophobicContact CG-CE2 3.87Å; Q1435-Y1437 PolarHBondContact NE2-OH 3.32Å; Q1435-Y1437 VanDerWaalsContact NE2-OH 3.09Å; Q1435-Y1437 PolarHBondContact O-N 3.16Å; Q1435-Y1437 PolarHBondContact OE1-OH 3.06Å; Q1435-C1451 PolarHBondContact O-SG 3.13Å; Q1435-D1779 WeakPolarHBondContact CA-O 3.45Å; Q1435-D1779 VanDerWaalsContact CA-OD1 3.24Å; Q1435-D1779 WeakPolarHBondContact CA-OD1 3.44Å; Q1435-D1779 HydrophobicContact CB-CB 4.25Å; Q1435-D1779 HydrophobicContact CG-CB 3.61Å; Q1435-D1779 WeakPolarHBondContact CG-OD1 3.44Å; Q1435-D1779 VanDerWaalsContact CG-OD2 3.22Å; Q1435-D1779 WeakPolarHBondContact CG-OD2 3.43Å; Q1435-D1779 PolarHBondContact N-O 3.29Å; Q1435-N1791 VanDerWaalsContact C-CG 3.44Å; Q1435-N1791 WeakPolarHBondContact CA-ND2 3.04Å; Q1435-N1791 PolarHBondContact O-ND2 2.79Å; Q1435-N1791 PolarHBondContact O-OD1 2.88Å; Q1435-I1796 WeakPolarHBondContact O-CD1 3.12Å; Q1435-Q1807 HydrophobicContact CB-CG 4.06Å
1436	F	41.9	Very low	40	Very low	80.2 Å²	80.2	102.1 Å²	102.1	35%	0.352	51%	0.509	S	S	.	.				0	0	0	-41.7	-83	0	0	0	117.4	F1393 Q1398 L1400 L1434 F1449 F1774 P1776 D1779 R1781 N1789 N1806	F1393-F1436 HydrophobicContact CE2-CD2 4.46Å; F1393-F1436 HydrophobicContact CE2-CE2 4.16Å; Q1398-F1436 HydrophobicContact CB-CB 4.29Å; Q1398-F1436 WeakPolarHBondContact O-CD2 3.42Å; Q1398-F1436 PolarHBondContact O-N 3Å; Q1398-F1436 VanDerWaalsContact O-N 3.08Å; Q1398-F1436 PolarHBondContact OE1-O 3.05Å; L1400-F1436 HydrophobicContact CB-CE2 3.94Å; L1434-F1436 HydrophobicContact CB-CE2 4.32Å; L1434-F1436 HydrophobicContact CB-CZ 4.23Å; L1434-F1436 HydrophobicContact CD1-CZ 4.45Å; F1436-F1449 HydrophobicContact CD1-CD1 4.35Å; F1436-F1449 HydrophobicContact CD1-CE1 4.07Å; F1436-F1449 HydrophobicContact CE1-CD1 4.3Å; F1436-F1449 AromaticContact CE1-CE1 3.85Å; F1436-F1449 HydrophobicContact CE1-CE1 3.85Å; F1436-F1774 HydrophobicContact CB-CE1 4.43Å; F1436-F1774 HydrophobicContact CB-CE2 3.84Å; F1436-F1774 HydrophobicContact CB-CZ 3.47Å; F1436-F1774 VanDerWaalsContact CB-CZ 3.47Å; F1436-F1774 AromaticContact CD1-CE2 3.41Å; F1436-F1774 HydrophobicContact CD1-CE2 3.41Å; F1436-F1774 VanDerWaalsContact CD1-CE2 3.41Å; F1436-F1774 AromaticContact CD1-CZ 3.85Å; F1436-F1774 HydrophobicContact CD1-CZ 3.85Å; F1436-F1774 AromaticContact CD2-CD2 3.79Å; F1436-F1774 HydrophobicContact CD2-CD2 3.79Å; F1436-F1774 AromaticContact CD2-CE2 3.17Å; F1436-F1774 HydrophobicContact CD2-CE2 3.17Å; F1436-F1774 AromaticContact CD2-CZ 3.66Å; F1436-F1774 HydrophobicContact CD2-CZ 3.66Å; F1436-F1774 AromaticContact CE1-CE2 3.8Å; F1436-F1774 HydrophobicContact CE1-CE2 3.8Å; F1436-F1774 AromaticContact CE2-CD2 3.93Å; F1436-F1774 HydrophobicContact CE2-CD2 3.93Å; F1436-F1774 AromaticContact CE2-CE2 3.62Å; F1436-F1774 HydrophobicContact CE2-CE2 3.62Å; F1436-F1774 HydrophobicContact CG-CD2 4.16Å; F1436-F1774 HydrophobicContact CG-CE1 4.48Å; F1436-F1774 AromaticContact CG-CE2 3.1Å; F1436-F1774 HydrophobicContact CG-CE2 3.1Å; F1436-F1774 AromaticContact CG-CZ 3.31Å; F1436-F1774 HydrophobicContact CG-CZ 3.31Å; F1436-F1774 HydrophobicContact CZ-CD2 4.36Å; F1436-F1774 AromaticContact CZ-CE2 3.91Å; F1436-F1774 HydrophobicContact CZ-CE2 3.91Å; F1436-P1776 HydrophobicContact CB-CB 4.26Å; F1436-P1776 HydrophobicContact CB-CG 4.13Å; F1436-P1776 HydrophobicContact CD2-CG 4.37Å; F1436-D1779 WeakPolarHBondContact CE2-O 3.42Å; F1436-D1779 PolarHBondContact N-OD1 2.75Å; F1436-R1781 HydrophobicContact CD2-CB 4.49Å; F1436-R1781 HydrophobicContact CE1-CB 4.24Å; F1436-R1781 HydrophobicContact CE2-CB 3.41Å; F1436-R1781 VanDerWaalsContact CE2-CB 3.41Å; F1436-R1781 HydrophobicContact CE2-CG 4.49Å; F1436-R1781 HydrophobicContact CZ-CB 3.26Å; F1436-R1781 HydrophobicContact CZ-CG 4.01Å; F1436-N1789 HydrophobicContact CB-CB 3.28Å; F1436-N1789 WeakPolarHBondContact CB-OD1 3.06Å; F1436-N1806 HydrophobicContact CE1-CB 4.09Å; F1436-N1806 WeakPolarHBondContact CE1-OD1 3.46Å; F1436-N1806 HydrophobicContact CZ-CB 3.61Å
1437	Y	37.9	Very low	39	Very low	163 Å²	163	103.5 Å²	103.5	64%	0.639	52%	0.516	S	S	*	.				0	0	0	-74.7	-69.8	0	0	0	117	Q1435 N1439 I1443 E1452	Q1435-Y1437 HydrophobicContact CB-CE2 4.26Å; Q1435-Y1437 VanDerWaalsContact CD-OH 3.23Å; Q1435-Y1437 HydrophobicContact CG-CD2 4.37Å; Q1435-Y1437 HydrophobicContact CG-CE1 4.44Å; Q1435-Y1437 HydrophobicContact CG-CE2 3.87Å; Q1435-Y1437 PolarHBondContact NE2-OH 3.32Å; Q1435-Y1437 VanDerWaalsContact NE2-OH 3.09Å; Q1435-Y1437 PolarHBondContact O-N 3.16Å; Q1435-Y1437 PolarHBondContact OE1-OH 3.06Å; Y1437-N1439 VanDerWaalsContact C-N 3.28Å; Y1437-N1439 PolarHBondContact O-N 2.84Å; Y1437-I1443 HydrophobicContact CD2-CD1 4.18Å; Y1437-I1443 HydrophobicContact CE2-CD1 4.3Å; Y1437-E1452 HydrophobicContact CE2-CB 4.28Å; Y1437-E1452 HydrophobicContact CE2-CG 4.42Å
1438	Y	34.5	Very low	37.9	Very low	172.2 Å²	172.2	106.6 Å²	106.6	68%	0.675	53%	0.526	S	S	*	.	S	Bend		0	0	0	-73.5	-84.4	0	0	0	121.8	I1440 N1747 N1748	Y1438-I1440 PolarHBondContact O-N 3.03Å; Y1438-I1440 VanDerWaalsContact O-N 3.1Å; Y1438-N1747 HydrophobicContact CD1-CB 3.78Å; Y1438-N1747 VanDerWaalsContact CD1-O 3.27Å; Y1438-N1747 WeakPolarHBondContact CD1-O 3.41Å; Y1438-N1747 HydrophobicContact CE1-CB 3.96Å; Y1438-N1748 HydrophobicContact CE1-CB 4.44Å; Y1438-N1748 WeakPolarHBondContact CE1-OD1 3.15Å; Y1438-N1748 PolarHBondContact OH-OD1 2.76Å; Y1438-N1748 VanDerWaalsContact OH-OD1 3.09Å
1439	N	31.9	Very low	36.8	Very low	127.4 Å²	127.4	111.6 Å²	111.6	68%	0.681	54%	0.544	S	S	*	.				0	0	0	-91.3	-35.5	0	0	0	118.7	Y1437 N1441 N1747 K2107	Y1437-N1439 VanDerWaalsContact C-N 3.28Å; Y1437-N1439 PolarHBondContact O-N 2.84Å; N1439-N1441 PolarHBondContact O-N 3.24Å; N1439-N1747 PolarHBondContact OD1-ND2 3.09Å; N1439-N1747 VanDerWaalsContact OD1-ND2 3.09Å; N1439-K2107 PolarHBondContact ND2-NZ 3.02Å
1440	I	29.9	Very low	35.6	Very low	145.6 Å²	145.6	112.7 Å²	112.7	75%	0.747	55%	0.551	S	S	*	*				0	0	0	-66.1	162.8	0	0	0	119.4	Y1438 L1442 I1443	Y1438-I1440 PolarHBondContact O-N 3.03Å; Y1438-I1440 VanDerWaalsContact O-N 3.1Å; I1440-L1442 HydrophobicContact CG2-CD1 4.37Å; I1440-L1442 HydrophobicContact CG2-CG 4.17Å; I1440-L1442 PolarHBondContact O-N 3.13Å; I1440-L1442 VanDerWaalsContact O-N 3.11Å; I1440-I1443 HydrophobicContact CB-CD1 4.35Å; I1440-I1443 HydrophobicContact CD1-CD1 4.44Å; I1440-I1443 HydrophobicContact CG2-CD1 3.42Å; I1440-I1443 VanDerWaalsContact CG2-CD1 3.42Å; I1440-I1443 HydrophobicContact CG2-CG1 3.69Å
1441	N	29	Very low	34.7	Very low	127 Å²	127	113.8 Å²	113.8	68%	0.679	56%	0.562	S	S	*	*				0	0	0	-98.3	-18.1	0	0	0	118.8	N1439 I1443 Y1703 Q1708	N1439-N1441 PolarHBondContact O-N 3.24Å; N1441-I1443 PolarHBondContact O-N 3.1Å; N1441-Y1703 HydrophobicContact CB-CE1 4.27Å; N1441-Y1703 HydrophobicContact CB-CE2 4.35Å; N1441-Y1703 VanDerWaalsContact ND2-CD1 3.35Å; N1441-Y1703 WeakPolarHBondContact ND2-CD1 3.43Å; N1441-Y1703 WeakPolarHBondContact ND2-CE1 3.02Å; N1441-Y1703 WeakPolarHBondContact ND2-CE2 3.16Å; N1441-Y1703 WeakPolarHBondContact OD1-CE1 3.18Å; N1441-Q1708 PolarHBondContact ND2-OE1 2.79Å
1442	L	28.9	Very low	33.6	Very low	148.2 Å²	148.2	116.4 Å²	116.4	78%	0.776	58%	0.575	S	S	*	*				0	0	0	-85.7	159.7	0	0	0	119	I1440 K1507 Y1703	I1440-L1442 HydrophobicContact CG2-CD1 4.37Å; I1440-L1442 HydrophobicContact CG2-CG 4.17Å; I1440-L1442 PolarHBondContact O-N 3.13Å; I1440-L1442 VanDerWaalsContact O-N 3.11Å; L1442-K1507 HydrophobicContact CB-CD 4.41Å; L1442-Y1703 PolarHBondContact N-OH 2.77Å; L1442-Y1703 PolarHBondContact O-OH 3.37Å
1443	I	29.5	Very low	32.9	Very low	126.2 Å²	126.2	117.6 Å²	117.6	65%	0.647	59%	0.587	S	S	*	*				0	0	0	-45.6	160.4	0	0	0	115.2	Y1437 I1440 N1441 L1445 K1670 D1674	Y1437-I1443 HydrophobicContact CD2-CD1 4.18Å; Y1437-I1443 HydrophobicContact CE2-CD1 4.3Å; I1440-I1443 HydrophobicContact CB-CD1 4.35Å; I1440-I1443 HydrophobicContact CD1-CD1 4.44Å; I1440-I1443 HydrophobicContact CG2-CD1 3.42Å; I1440-I1443 VanDerWaalsContact CG2-CD1 3.42Å; I1440-I1443 HydrophobicContact CG2-CG1 3.69Å; N1441-I1443 PolarHBondContact O-N 3.1Å; I1443-L1445 PolarHBondContact O-N 2.89Å; I1443-L1445 VanDerWaalsContact O-N 3.13Å; I1443-K1670 PolarHBondContact O-NZ 2.79Å; I1443-D1674 WeakPolarHBondContact CA-OD2 3.47Å
1444	P	31.2	Very low	32.1	Very low	90.8 Å²	90.8	122.7 Å²	122.7	59%	0.59	61%	0.605	S	S	*	*				0	0	0	31.6	-34.6	0	0	0	119.4	H1446 Q1663 D1665 D1674 I1676	P1444-H1446 PolarHBondContact O-N 3.1Å; P1444-Q1663 VanDerWaalsContact CB-CD 3.48Å; P1444-Q1663 HydrophobicContact CB-CG 3.8Å; P1444-Q1663 HydrophobicContact CG-CG 3.98Å; P1444-Q1663 VanDerWaalsContact CG-OE1 3.22Å; P1444-Q1663 PolarHBondContact O-NE2 3Å; P1444-D1665 WeakPolarHBondContact CA-OD2 3.38Å; P1444-D1665 HydrophobicContact CB-CB 3.2Å; P1444-D1674 HydrophobicContact CB-CB 4.24Å; P1444-I1676 HydrophobicContact CG-CD1 4.05Å
1445	L	29.3	Very low	31.4	Very low	133.4 Å²	133.4	125.2 Å²	125.2	70%	0.698	62%	0.617	S	S	*	*				0	0	0	-123.2	144.5	0	0	0	118.3	L1434 I1443 I1447 K1634 H1635 D1665	L1434-L1445 HydrophobicContact CD2-CD1 4.26Å; L1434-L1445 HydrophobicContact CD2-CD2 3.72Å; L1434-L1445 HydrophobicContact CD2-CG 4.4Å; I1443-L1445 PolarHBondContact O-N 2.89Å; I1443-L1445 VanDerWaalsContact O-N 3.13Å; L1445-I1447 HydrophobicContact CD2-CD1 3.67Å; L1445-I1447 HydrophobicContact CD2-CG1 3.5Å; L1445-I1447 VanDerWaalsContact CD2-CG1 3.41Å; L1445-I1447 HydrophobicContact CG-CD1 4.4Å; L1445-I1447 HydrophobicContact CG-CG1 4.06Å; L1445-I1447 PolarHBondContact O-N 3.02Å; L1445-I1447 VanDerWaalsContact O-N 3.16Å; L1445-K1634 VanDerWaalsContact O-CB 3.3Å; L1445-K1634 WeakPolarHBondContact O-CB 3.04Å; L1445-H1635 VanDerWaalsContact C-CD2 3.49Å; L1445-H1635 PolarHBondContact O-CD2 3.32Å; L1445-D1665 PolarHBondContact N-OD1 2.75Å
1446	H	26.9	Very low	30.8	Very low	156.8 Å²	156.8	126.2 Å²	126.2	73%	0.726	63%	0.625	S	S	*	*				0	0	0	-115	-78.3	0	0	0	118.5	P1444 K1448 D1630 H1635	P1444-H1446 PolarHBondContact O-N 3.1Å; H1446-K1448 PolarHBondContact O-N 2.88Å; H1446-D1630 VanDerWaalsContact CA-OD2 3.28Å; H1446-D1630 WeakPolarHBondContact CA-OD2 3.29Å; H1446-D1630 WeakPolarHBondContact CB-OD2 3.23Å; H1446-D1630 PolarHBondContact N-OD2 2.78Å; H1446-D1630 VanDerWaalsContact N-OD2 3.11Å; H1446-H1635 WeakPolarHBondContact CA-NE2 3.34Å; H1446-H1635 PolarHBondContact N-CD2 3.03Å; H1446-H1635 PolarHBondContact N-NE2 3.03Å; H1446-H1635 VanDerWaalsContact N-NE2 3.11Å; H1446-H1635 PolarHBondContact O-NE2 2.58Å; H1446-H1635 VanDerWaalsContact O-NE2 3.14Å
1447	I	27.3	Very low	30.3	Very low	112.6 Å²	112.6	128.3 Å²	128.3	58%	0.577	63%	0.634	S	S	*	*				0	0	0	-70.6	171.5	0	0	0	116.6	L1445 F1449 W1530 N1599 D1630 K1631	L1445-I1447 HydrophobicContact CD2-CD1 3.67Å; L1445-I1447 HydrophobicContact CD2-CG1 3.5Å; L1445-I1447 VanDerWaalsContact CD2-CG1 3.41Å; L1445-I1447 HydrophobicContact CG-CD1 4.4Å; L1445-I1447 HydrophobicContact CG-CG1 4.06Å; L1445-I1447 PolarHBondContact O-N 3.02Å; L1445-I1447 VanDerWaalsContact O-N 3.16Å; I1447-F1449 HydrophobicContact CB-CE2 4.41Å; I1447-F1449 HydrophobicContact CG2-CD2 3.6Å; I1447-F1449 HydrophobicContact CG2-CE2 3.75Å; I1447-F1449 HydrophobicContact CG2-CG 4.35Å; I1447-F1449 HydrophobicContact CG2-CZ 4.01Å; I1447-F1449 PolarHBondContact O-N 3.2Å; I1447-W1530 HydrophobicContact CD1-CH2 3.23Å; I1447-W1530 HydrophobicContact CD1-CZ2 4.11Å; I1447-W1530 HydrophobicContact CD1-CZ3 3.77Å; I1447-W1530 HydrophobicContact CG1-CH2 4.07Å; I1447-N1599 WeakPolarHBondContact O-CB 2.91Å; I1447-N1599 VanDerWaalsContact O-CG 3.23Å; I1447-N1599 PolarHBondContact O-ND2 2.8Å; I1447-D1630 VanDerWaalsContact N-CG 3.26Å; I1447-D1630 PolarHBondContact N-OD1 2.77Å; I1447-K1631 HydrophobicContact CG2-CD 3.63Å; I1447-K1631 HydrophobicContact CG2-CG 4Å
1448	K	26.6	Very low	30	Very low	154.2 Å²	154.2	126.2 Å²	126.2	67%	0.67	63%	0.634	S	S	*	*				0	0	0	-152.4	-175.3	-177.8	-173.6	0	114.9	H1446 I1450 N1599 K1631	H1446-K1448 PolarHBondContact O-N 2.88Å; K1448-I1450 HydrophobicContact CD-CD1 3.98Å; K1448-I1450 HydrophobicContact CD-CG1 4.14Å; K1448-I1450 HydrophobicContact CG-CD1 4.32Å; K1448-I1450 HydrophobicContact CG-CG1 3.93Å; K1448-I1450 PolarHBondContact O-N 3.08Å; K1448-N1599 VanDerWaalsContact CA-OD1 3.26Å; K1448-N1599 WeakPolarHBondContact CA-OD1 3.4Å; K1448-N1599 VanDerWaalsContact N-CG 3.26Å; K1448-N1599 PolarHBondContact N-ND2 2.81Å; K1448-N1599 PolarHBondContact N-OD1 3.35Å; K1448-N1599 VanDerWaalsContact N-OD1 3.16Å; K1448-N1599 PolarHBondContact O-OD1 3.37Å; K1448-K1631 WeakPolarHBondContact O-CE 3.35Å
1449	F	26.4	Very low	30.1	Very low	142.4 Å²	142.4	122.4 Å²	122.4	63%	0.625	63%	0.625	S	S	*	*				0	0	0	-125.1	-103.6	0	0	0	115	F1436 I1447 C1451 V1562	F1436-F1449 HydrophobicContact CD1-CD1 4.35Å; F1436-F1449 HydrophobicContact CD1-CE1 4.07Å; F1436-F1449 HydrophobicContact CE1-CD1 4.3Å; F1436-F1449 AromaticContact CE1-CE1 3.85Å; F1436-F1449 HydrophobicContact CE1-CE1 3.85Å; I1447-F1449 HydrophobicContact CB-CE2 4.41Å; I1447-F1449 HydrophobicContact CG2-CD2 3.6Å; I1447-F1449 HydrophobicContact CG2-CE2 3.75Å; I1447-F1449 HydrophobicContact CG2-CG 4.35Å; I1447-F1449 HydrophobicContact CG2-CZ 4.01Å; I1447-F1449 PolarHBondContact O-N 3.2Å; F1449-C1451 HydrophobicContact CD1-CB 4.19Å; F1449-C1451 HydrophobicContact CE1-CB 3.75Å; F1449-C1451 PolarHBondContact O-N 3.48Å; F1449-V1562 HydrophobicContact CD2-CG1 3.94Å; F1449-V1562 VanDerWaalsContact CD2-O 3.3Å; F1449-V1562 WeakPolarHBondContact CD2-O 3.11Å; F1449-V1562 HydrophobicContact CE2-CG1 3.22Å; F1449-V1562 HydrophobicContact CZ-CG1 3.91Å
1450	I	29.4	Very low	30.4	Very low	104.8 Å²	104.8	122.2 Å²	122.2	54%	0.537	62%	0.623	S	S	.	*				0	0	0	-60.7	174.6	0	0	0	112.9	K1448 E1452 N1561 V1562 D1563	K1448-I1450 HydrophobicContact CD-CD1 3.98Å; K1448-I1450 HydrophobicContact CD-CG1 4.14Å; K1448-I1450 HydrophobicContact CG-CD1 4.32Å; K1448-I1450 HydrophobicContact CG-CG1 3.93Å; K1448-I1450 PolarHBondContact O-N 3.08Å; I1450-E1452 HydrophobicContact CG2-CG 3.81Å; I1450-E1452 PolarHBondContact O-N 2.82Å; I1450-N1561 CarbonylContact C-O 3.41Å; I1450-N1561 CarbonylContact O-C 3.3Å; I1450-V1562 HydrophobicContact CG1-CB 4.46Å; I1450-V1562 HydrophobicContact CG1-CG1 4.07Å; I1450-V1562 PolarHBondContact N-O 2.79Å; I1450-V1562 CarbonylContact O-C 3.52Å; I1450-V1562 WeakPolarHBondContact O-CA 3.34Å; I1450-V1562 PolarHBondContact O-N 3.23Å; I1450-D1563 PolarHBondContact O-N 2.92Å
1451	C	29.5	Very low	30.8	Very low	82 Å²	82	120.6 Å²	120.6	55%	0.554	62%	0.616	S	S	*	*				0	0	0	-139.4	0	0	0	0	114	L1434 Q1435 F1449 S1453 I1455 H1535 N1561	L1434-C1451 VanDerWaalsContact CD2-SG 3.58Å; Q1435-C1451 PolarHBondContact O-SG 3.13Å; F1449-C1451 HydrophobicContact CD1-CB 4.19Å; F1449-C1451 HydrophobicContact CE1-CB 3.75Å; F1449-C1451 PolarHBondContact O-N 3.48Å; C1451-S1453 VanDerWaalsContact C-N 3.28Å; C1451-S1453 PolarHBondContact O-N 3.06Å; C1451-I1455 HydrophobicContact CB-CD1 4.02Å; C1451-I1455 HydrophobicContact CB-CG1 4.09Å; C1451-H1535 PolarHBondContact O-CE1 2.87Å; C1451-N1561 VanDerWaalsContact C-CB 3.41Å; C1451-N1561 CarbonylContact C-O 3.59Å; C1451-N1561 VanDerWaalsContact C-O 3.31Å; C1451-N1561 VanDerWaalsContact CA-O 3.28Å; C1451-N1561 WeakPolarHBondContact CA-O 3.5Å; C1451-N1561 HydrophobicContact CB-CB 4.5Å; C1451-N1561 PolarHBondContact N-O 3.39Å; C1451-N1561 WeakPolarHBondContact O-CB 3.33Å
1452	E	30.2	Very low	31.2	Very low	146.8 Å²	146.8	120 Å²	120	69%	0.686	61%	0.605	S	S	*	*				0	0	0	-99.1	-175.1	170.5	0	0	116.3	Y1437 I1450 K1454 K1507	Y1437-E1452 HydrophobicContact CE2-CB 4.28Å; Y1437-E1452 HydrophobicContact CE2-CG 4.42Å; I1450-E1452 HydrophobicContact CG2-CG 3.81Å; I1450-E1452 PolarHBondContact O-N 2.82Å; E1452-K1454 IonicContact OE2-NZ 3.61Å; E1452-K1454 PolarHBondContact OE2-NZ 2.8Å; E1452-K1507 VanDerWaalsContact OE1-CE 3.28Å; E1452-K1507 WeakPolarHBondContact OE1-CE 3.29Å; E1452-K1507 IonicContact OE1-NZ 3.64Å; E1452-K1507 PolarHBondContact OE1-NZ 2.86Å
1453	S	31.1	Very low	31.8	Very low	73.6 Å²	73.6	120.1 Å²	120.1	52%	0.515	60%	0.599	S	S	.	*				0	0	0	64.5	0	0	0	0	114	C1451 I1455 K1478	C1451-S1453 VanDerWaalsContact C-N 3.28Å; C1451-S1453 PolarHBondContact O-N 3.06Å; S1453-I1455 PolarHBondContact O-N 3.13Å; S1453-I1455 VanDerWaalsContact O-N 3.16Å; S1453-K1478 PolarHBondContact OG-NZ 2.76Å
1454	K	32.7	Very low	32.5	Very low	162.4 Å²	162.4	117.6 Å²	117.6	71%	0.706	59%	0.586	S	S	*	*				0	0	0	-69.9	164.7	-176.2	161.3	0	114.7	E1452 N1456 L1479	E1452-K1454 IonicContact OE2-NZ 3.61Å; E1452-K1454 PolarHBondContact OE2-NZ 2.8Å; K1454-N1456 PolarHBondContact O-N 3.49Å; K1454-L1479 HydrophobicContact CB-CD1 4.06Å; K1454-L1479 HydrophobicContact CG-CD1 3.77Å
1455	I	29.9	Very low	32.8	Very low	94.6 Å²	94.6	118.2 Å²	118.2	49%	0.485	58%	0.584	S	S	.	*				0	0	0	-73.2	176.3	0	0	0	111.9	L1432 C1451 S1453 F1457 L1476 K1477 K1478 L1479 L1504	L1432-I1455 HydrophobicContact CD1-CG1 4.38Å; C1451-I1455 HydrophobicContact CB-CD1 4.02Å; C1451-I1455 HydrophobicContact CB-CG1 4.09Å; S1453-I1455 PolarHBondContact O-N 3.13Å; S1453-I1455 VanDerWaalsContact O-N 3.16Å; I1455-F1457 HydrophobicContact CB-CE2 4.38Å; I1455-F1457 HydrophobicContact CG2-CD2 3.99Å; I1455-F1457 HydrophobicContact CG2-CE2 3.61Å; I1455-F1457 VanDerWaalsContact CG2-CE2 3.48Å; I1455-F1457 HydrophobicContact CG2-CG 4.46Å; I1455-F1457 HydrophobicContact CG2-CZ 4.27Å; I1455-F1457 PolarHBondContact O-N 3.18Å; I1455-L1476 HydrophobicContact CB-CD1 4.31Å; I1455-L1476 HydrophobicContact CD1-CD1 4.37Å; I1455-K1477 CarbonylContact C-O 3.53Å; I1455-K1477 WeakPolarHBondContact CA-O 3.33Å; I1455-K1477 WeakPolarHBondContact CB-O 3.3Å; I1455-K1477 HydrophobicContact CG2-CB 3.58Å; I1455-K1477 HydrophobicContact CG2-CD 3.13Å; I1455-K1477 HydrophobicContact CG2-CG 3.26Å; I1455-K1478 VanDerWaalsContact C-C 3.46Å; I1455-K1478 CarbonylContact C-O 3.35Å; I1455-K1478 HydrophobicContact CB-CB 3.87Å; I1455-K1478 HydrophobicContact CB-CD 4.23Å; I1455-K1478 HydrophobicContact CB-CG 3.9Å; I1455-K1478 HydrophobicContact CD1-CD 3.93Å; I1455-K1478 HydrophobicContact CD1-CG 3.91Å; I1455-K1478 HydrophobicContact CG1-CB 4.38Å; I1455-K1478 HydrophobicContact CG1-CD 3.8Å; I1455-K1478 HydrophobicContact CG1-CG 3.91Å; I1455-K1478 CarbonylContact O-C 3.28Å; I1455-L1479 WeakPolarHBondContact O-CA 3.39Å; I1455-L1479 PolarHBondContact O-N 3.38Å; I1455-L1504 HydrophobicContact CG2-CD1 3.99Å
1456	N	32.3	Very low	33.7	Very low	105.6 Å²	105.6	119.2 Å²	119.2	57%	0.565	58%	0.583	S	S	*	*				0	0	0	-94.6	-0.4	0	0	0	115.7	K1454 L1458 N1475 L1476 K1477 K1478 D1482	K1454-N1456 PolarHBondContact O-N 3.49Å; N1456-L1458 PolarHBondContact O-N 3.44Å; N1456-N1475 CarbonylContact C-O 3.54Å; N1456-N1475 WeakPolarHBondContact CA-O 3.12Å; N1456-N1475 HydrophobicContact CB-CB 4.29Å; N1456-N1475 WeakPolarHBondContact CB-O 3.34Å; N1456-N1475 WeakPolarHBondContact CB-OD1 3.3Å; N1456-N1475 VanDerWaalsContact CG-O 3.25Å; N1456-N1475 PolarHBondContact ND2-ND2 2.72Å; N1456-N1475 PolarHBondContact OD1-O 3.29Å; N1456-N1475 VanDerWaalsContact OD1-O 3.13Å; N1456-L1476 CarbonylContact C-O 3.53Å; N1456-L1476 WeakPolarHBondContact CA-O 3.47Å; N1456-K1477 PolarHBondContact N-O 2.78Å; N1456-K1477 WeakPolarHBondContact O-CB 3.27Å; N1456-K1477 VanDerWaalsContact O-CD 3.29Å; N1456-K1477 WeakPolarHBondContact O-CD 3.49Å; N1456-K1477 WeakPolarHBondContact O-CE 3.48Å; N1456-K1477 PolarHBondContact O-NZ 2.73Å; N1456-K1478 WeakPolarHBondContact OD1-CA 3.35Å; N1456-K1478 PolarHBondContact OD1-N 2.87Å; N1456-D1482 PolarHBondContact ND2-OD2 3.13Å
1457	F	31.5	Very low	34.5	Very low	124 Å²	124	114.8 Å²	114.8	54%	0.544	57%	0.565	S	S	.	*				0	0	0	-100.8	-74	0	0	0	115.3	L1430 I1455 L1459 L1474 N1475 L1476 K1477 Q2151 K2200	L1430-F1457 HydrophobicContact CD1-CE2 3.57Å; L1430-F1457 HydrophobicContact CD1-CZ 3.71Å; L1430-F1457 HydrophobicContact CG-CE2 4.48Å; I1455-F1457 HydrophobicContact CB-CE2 4.38Å; I1455-F1457 HydrophobicContact CG2-CD2 3.99Å; I1455-F1457 HydrophobicContact CG2-CE2 3.61Å; I1455-F1457 VanDerWaalsContact CG2-CE2 3.48Å; I1455-F1457 HydrophobicContact CG2-CG 4.46Å; I1455-F1457 HydrophobicContact CG2-CZ 4.27Å; I1455-F1457 PolarHBondContact O-N 3.18Å; F1457-L1459 HydrophobicContact CD1-CD1 4.45Å; F1457-L1459 PolarHBondContact O-N 3.1Å; F1457-L1474 HydrophobicContact CB-CB 3.99Å; F1457-L1474 CarbonylContact O-C 3.43Å; F1457-N1475 PolarHBondContact N-O 2.99Å; F1457-N1475 PolarHBondContact N-OD1 3.39Å; F1457-N1475 VanDerWaalsContact N-OD1 3.14Å; F1457-N1475 CarbonylContact O-C 3.28Å; F1457-N1475 VanDerWaalsContact O-C 3.25Å; F1457-N1475 WeakPolarHBondContact O-CA 3.35Å; F1457-N1475 PolarHBondContact O-N 2.87Å; F1457-L1476 HydrophobicContact CB-CB 3.92Å; F1457-L1476 HydrophobicContact CB-CD1 3.14Å; F1457-L1476 HydrophobicContact CB-CG 4.4Å; F1457-L1476 VanDerWaalsContact N-C 3.25Å; F1457-L1476 VanDerWaalsContact N-N 3.17Å; F1457-L1476 PolarHBondContact N-O 2.9Å; F1457-L1476 PolarHBondContact O-N 3.01Å; F1457-K1477 HydrophobicContact CB-CB 3.74Å; F1457-K1477 HydrophobicContact CD1-CB 4.45Å; F1457-K1477 HydrophobicContact CD1-CG 4.5Å; F1457-K1477 HydrophobicContact CD2-CB 3.29Å; F1457-K1477 HydrophobicContact CD2-CG 3.59Å; F1457-K1477 HydrophobicContact CE2-CB 3.99Å; F1457-K1477 HydrophobicContact CE2-CG 3.74Å; F1457-K1477 HydrophobicContact CG-CB 3.54Å; F1457-K1477 HydrophobicContact CG-CG 3.96Å; F1457-K1477 HydrophobicContact CZ-CG 4.27Å; F1457-Q2151 HydrophobicContact CB-CG 4.42Å; F1457-K2200 VanDerWaalsContact CD2-NZ 3.26Å; F1457-K2200 HydrophobicContact CE1-CD 4.32Å; F1457-K2200 HydrophobicContact CE2-CD 4.29Å; F1457-K2200 HydrophobicContact CZ-CD 4.03Å
1458	L	32.3	Very low	35.2	Very low	118.8 Å²	118.8	113.2 Å²	113.2	62%	0.622	55%	0.552	S	S	*	*				0	0	0	-129.6	138.5	0	0	0	115.6	N1456 L1460 K1473 L1474 N1475 Q2151 S2152	N1456-L1458 PolarHBondContact O-N 3.44Å; L1458-L1460 HydrophobicContact CD2-CD2 4.48Å; L1458-L1460 PolarHBondContact O-N 2.96Å; L1458-L1460 VanDerWaalsContact O-N 3.12Å; L1458-K1473 HydrophobicContact CD1-CD 4.41Å; L1458-K1473 HydrophobicContact CD1-CG 3.92Å; L1458-K1473 HydrophobicContact CD2-CD 4.38Å; L1458-K1473 HydrophobicContact CD2-CG 3.94Å; L1458-K1473 HydrophobicContact CG-CG 3.77Å; L1458-L1474 CarbonylContact C-O 3.38Å; L1458-L1474 WeakPolarHBondContact CA-O 3.32Å; L1458-L1474 WeakPolarHBondContact CD1-O 3.27Å; L1458-L1474 WeakPolarHBondContact CG-O 3.41Å; L1458-N1475 VanDerWaalsContact CD1-OD1 3.25Å; L1458-N1475 WeakPolarHBondContact CD1-OD1 3.34Å; L1458-Q2151 VanDerWaalsContact N-CD 3.31Å; L1458-Q2151 VanDerWaalsContact N-CG 3.25Å; L1458-Q2151 WeakPolarHBondContact O-CG 3.2Å; L1458-Q2151 PolarHBondContact O-NE2 3.14Å; L1458-S2152 WeakPolarHBondContact O-CA 3.37Å; L1458-S2152 WeakPolarHBondContact O-CB 3.24Å; L1458-S2152 PolarHBondContact O-N 3.39Å
1459	L	35.6	Very low	36	Very low	93.8 Å²	93.8	108.6 Å²	108.6	49%	0.491	54%	0.537	S	S	.	.				0	0	0	-118.3	127.1	0	0	0	111.4	F1457 N1461 L1472 K1473 L1474 Q2151	F1457-L1459 HydrophobicContact CD1-CD1 4.45Å; F1457-L1459 PolarHBondContact O-N 3.1Å; L1459-N1461 PolarHBondContact O-N 2.9Å; L1459-L1472 CarbonylContact C-O 3.51Å; L1459-K1473 WeakPolarHBondContact O-CA 3.3Å; L1459-K1473 WeakPolarHBondContact O-CB 3.34Å; L1459-K1473 WeakPolarHBondContact O-CG 3.36Å; L1459-L1474 PolarHBondContact N-O 3.04Å; L1459-Q2151 VanDerWaalsContact CB-C 3.49Å; L1459-Q2151 WeakPolarHBondContact CB-O 3.14Å; L1459-Q2151 WeakPolarHBondContact CD1-O 2.92Å
1460	L	38.9	Very low	36.8	Very low	123.4 Å²	123.4	102.7 Å²	102.7	65%	0.646	52%	0.516	S	S	*	.				0	132.5	0	-85	155.3	0	0	0	114.6	L1458 Y1462 K1471 L1472 K1473	L1458-L1460 HydrophobicContact CD2-CD2 4.48Å; L1458-L1460 PolarHBondContact O-N 2.96Å; L1458-L1460 VanDerWaalsContact O-N 3.12Å; L1460-Y1462 PolarHBondContact O-N 3.05Å; L1460-K1471 CarbonylContact O-C 3.56Å; L1460-K1471 WeakPolarHBondContact O-CA 3.15Å; L1460-L1472 CarbonylContact C-O 3.48Å; L1460-L1472 PolarHBondContact N-O 2.79Å; L1460-L1472 CarbonylContact O-C 3.41Å; L1460-L1472 PolarHBondContact O-N 3.36Å; L1460-L1472 VanDerWaalsContact O-O 3.08Å; L1460-K1473 HydrophobicContact CD2-CB 3.95Å; L1460-K1473 HydrophobicContact CD2-CD 3.98Å; L1460-K1473 HydrophobicContact CD2-CG 3.64Å; L1460-K1473 HydrophobicContact CG-CB 4.34Å; L1460-K1473 HydrophobicContact CG-CG 3.98Å
1461	N	38.9	Very low	37.5	Very low	110.2 Å²	110.2	102.7 Å²	102.7	59%	0.589	51%	0.512	S	S	*	.			trans	54.4	92.5	165.3	-63.8	-14.6	0	0	0	119.9	L1459 V1469 G1470 K1471	L1459-N1461 PolarHBondContact O-N 2.9Å; N1461-V1469 CarbonylContact O-C 3.09Å; N1461-V1469 VanDerWaalsContact O-O 3.05Å; N1461-G1470 CarbonylContact C-O 3.14Å; N1461-G1470 CarbonylContact O-C 3.5Å; N1461-G1470 PolarHBondContact O-N 2.7Å; N1461-K1471 HydrophobicContact CB-CG 4.23Å; N1461-K1471 VanDerWaalsContact OD1-CB 3.29Å; N1461-K1471 WeakPolarHBondContact OD1-CB 2.93Å; N1461-K1471 WeakPolarHBondContact OD1-CE 3.05Å; N1461-K1471 WeakPolarHBondContact OD1-CG 3.27Å
1462	Y	37.5	Very low	38	Very low	116.4 Å²	116.4	101.8 Å²	101.8	46%	0.456	50%	0.501	S	S	.	.			trans	-99.1	130.5	157	87	-90.1	0	0	0	117.3	L1460 I1464 G1470 L1472 F1485	L1460-Y1462 PolarHBondContact O-N 3.05Å; Y1462-I1464 HydrophobicContact CD2-CD1 4.32Å; Y1462-I1464 HydrophobicContact CD2-CG1 3.59Å; Y1462-I1464 VanDerWaalsContact CD2-CG1 3.43Å; Y1462-I1464 HydrophobicContact CE2-CB 4.49Å; Y1462-I1464 HydrophobicContact CE2-CD1 3.56Å; Y1462-I1464 VanDerWaalsContact CE2-CD1 3.42Å; Y1462-I1464 HydrophobicContact CE2-CG1 3.28Å; Y1462-I1464 PolarHBondContact O-N 3Å; Y1462-G1470 VanDerWaalsContact C-C 3.49Å; Y1462-G1470 VanDerWaalsContact C-CA 3.43Å; Y1462-G1470 CarbonylContact C-O 3.33Å; Y1462-G1470 WeakPolarHBondContact CA-O 3.3Å; Y1462-G1470 WeakPolarHBondContact CB-O 3.13Å; Y1462-G1470 WeakPolarHBondContact CD1-O 3.17Å; Y1462-G1470 VanDerWaalsContact CG-O 3.24Å; Y1462-G1470 PolarHBondContact N-O 2.81Å; Y1462-G1470 CarbonylContact O-C 3.39Å; Y1462-G1470 WeakPolarHBondContact O-CA 3.35Å; Y1462-G1470 PolarHBondContact O-N 2.98Å; Y1462-L1472 HydrophobicContact CD1-CB 3.44Å; Y1462-L1472 VanDerWaalsContact CD1-CB 3.44Å; Y1462-L1472 HydrophobicContact CE1-CB 3.43Å; Y1462-L1472 HydrophobicContact CE1-CD1 4.25Å; Y1462-L1472 HydrophobicContact CE1-CG 4.09Å; Y1462-F1485 AromaticContact CE1-CD2 3.46Å; Y1462-F1485 HydrophobicContact CE1-CD2 3.46Å; Y1462-F1485 VanDerWaalsContact CE1-CD2 3.46Å; Y1462-F1485 HydrophobicContact CE1-CE2 4.3Å; Y1462-F1485 HydrophobicContact CE1-CG 4.02Å; Y1462-F1485 AromaticContact CZ-CD2 3.67Å; Y1462-F1485 AromaticContact CZ-CE2 3.98Å; Y1462-F1485 WeakPolarHBondContact OH-CD2 3.46Å; Y1462-F1485 VanDerWaalsContact OH-CE2 3.29Å; Y1462-F1485 WeakPolarHBondContact OH-CE2 3.39Å; Y1462-F1485 WeakPolarHBondContact OH-CZ 3.49Å
1463	K	40.8	Very low	38.5	Very low	149.6 Å²	149.6	100.1 Å²	100.1	65%	0.65	49%	0.492	S	S	*	.			trans	-65.6	107.3	164.9	-74.8	-173.9	174.6	165	0	111.9	N1465 Y1468 V1469	K1463-N1465 WeakPolarHBondContact CB-O 3.34Å; K1463-N1465 PolarHBondContact O-N 2.9Å; K1463-N1465 VanDerWaalsContact O-N 3.12Å; K1463-Y1468 VanDerWaalsContact CA-O 3.31Å; K1463-Y1468 WeakPolarHBondContact CA-O 3.31Å; K1463-Y1468 WeakPolarHBondContact CB-O 3.49Å; K1463-Y1468 WeakPolarHBondContact CD-O 3.23Å; K1463-Y1468 WeakPolarHBondContact CG-O 3.2Å; K1463-V1469 HydrophobicContact CD-CG2 4.48Å; K1463-V1469 HydrophobicContact CG-CB 4.48Å; K1463-V1469 HydrophobicContact CG-CG2 4.32Å
1464	I	43.3	Very low	38.8	Very low	73.2 Å²	73.2	99.1 Å²	99.1	38%	0.375	48%	0.481	S	S	.	.			trans	-79.4	2.4	172.3	-61.7	174.1	0	0	0	109.6	Y1462 Y1468 F1485 L1487	Y1462-I1464 HydrophobicContact CD2-CD1 4.32Å; Y1462-I1464 HydrophobicContact CD2-CG1 3.59Å; Y1462-I1464 VanDerWaalsContact CD2-CG1 3.43Å; Y1462-I1464 HydrophobicContact CE2-CB 4.49Å; Y1462-I1464 HydrophobicContact CE2-CD1 3.56Å; Y1462-I1464 VanDerWaalsContact CE2-CD1 3.42Å; Y1462-I1464 HydrophobicContact CE2-CG1 3.28Å; Y1462-I1464 PolarHBondContact O-N 3Å; I1464-Y1468 HydrophobicContact CB-CE2 3.97Å; I1464-Y1468 HydrophobicContact CD1-CE2 4.23Å; I1464-Y1468 HydrophobicContact CG1-CE2 3.89Å; I1464-Y1468 HydrophobicContact CG2-CD2 3.41Å; I1464-Y1468 VanDerWaalsContact CG2-CD2 3.49Å; I1464-Y1468 HydrophobicContact CG2-CE2 3.65Å; I1464-Y1468 HydrophobicContact CG2-CG 3.85Å; I1464-Y1468 PolarHBondContact N-O 2.74Å; I1464-Y1468 VanDerWaalsContact N-O 3.1Å; I1464-F1485 HydrophobicContact CD1-CE2 4.24Å; I1464-F1485 HydrophobicContact CD1-CZ 3.93Å; I1464-L1487 HydrophobicContact CD1-CD1 3.47Å
1465	N	39.2	Very low	39.4	Very low	103.4 Å²	103.4	94.2 Å²	94.2	55%	0.553	46%	0.462	S	S	*	.	S	Bend	trans	-119.1	166.8	176.2	-107.9	-27.6	0	0	0	112	K1463 N1467 Y1468	K1463-N1465 WeakPolarHBondContact CB-O 3.34Å; K1463-N1465 PolarHBondContact O-N 2.9Å; K1463-N1465 VanDerWaalsContact O-N 3.12Å; N1465-N1467 PolarHBondContact O-N 2.95Å; N1465-Y1468 PolarHBondContact O-N 2.99Å; N1465-Y1468 VanDerWaalsContact O-N 3.16Å
1466	K	48.1	Very low	39.8	Very low	155.2 Å²	155.2	93.5 Å²	93.5	68%	0.675	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-12.9	-173.8	-76.4	-175.9	175.9	172.6	0	116.6	Y1468	K1466-Y1468 VanDerWaalsContact C-N 3.34Å; K1466-Y1468 PolarHBondContact O-N 2.84Å
1467	N	43.1	Very low	40.2	Very low	64.8 Å²	64.8	95.6 Å²	95.6	35%	0.347	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-2.9	-176.6	-69	-3.7	0	0	0	113.7	N1465 N1489 N1490 Q1491	N1465-N1467 PolarHBondContact O-N 2.95Å; N1467-N1489 WeakPolarHBondContact CB-OD1 3.42Å; N1467-N1489 CarbonylContact O-C 3.57Å; N1467-N1489 WeakPolarHBondContact O-CA 3.48Å; N1467-N1489 PolarHBondContact O-OD1 2.99Å; N1467-N1490 PolarHBondContact O-N 2.87Å; N1467-Q1491 HydrophobicContact CB-CG 4.4Å; N1467-Q1491 VanDerWaalsContact CG-CD 3.48Å; N1467-Q1491 VanDerWaalsContact CG-OE1 3.31Å; N1467-Q1491 PolarHBondContact ND2-OE1 2.72Å; N1467-Q1491 VanDerWaalsContact OD1-CD 3.27Å; N1467-Q1491 PolarHBondContact OD1-OE1 3.48Å
1468	Y	41.8	Very low	40.6	Very low	78.2 Å²	78.2	97.2 Å²	97.2	31%	0.307	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.2	-176	-60.4	-95.7	0	0	0	114.1	K1463 I1464 N1465 K1466 G1470 L1487 L1488 N1489	K1463-Y1468 VanDerWaalsContact CA-O 3.31Å; K1463-Y1468 WeakPolarHBondContact CA-O 3.31Å; K1463-Y1468 WeakPolarHBondContact CB-O 3.49Å; K1463-Y1468 WeakPolarHBondContact CD-O 3.23Å; K1463-Y1468 WeakPolarHBondContact CG-O 3.2Å; I1464-Y1468 HydrophobicContact CB-CE2 3.97Å; I1464-Y1468 HydrophobicContact CD1-CE2 4.23Å; I1464-Y1468 HydrophobicContact CG1-CE2 3.89Å; I1464-Y1468 HydrophobicContact CG2-CD2 3.41Å; I1464-Y1468 VanDerWaalsContact CG2-CD2 3.49Å; I1464-Y1468 HydrophobicContact CG2-CE2 3.65Å; I1464-Y1468 HydrophobicContact CG2-CG 3.85Å; I1464-Y1468 PolarHBondContact N-O 2.74Å; I1464-Y1468 VanDerWaalsContact N-O 3.1Å; N1465-Y1468 PolarHBondContact O-N 2.99Å; N1465-Y1468 VanDerWaalsContact O-N 3.16Å; K1466-Y1468 VanDerWaalsContact C-N 3.34Å; K1466-Y1468 PolarHBondContact O-N 2.84Å; Y1468-G1470 PolarHBondContact O-N 2.81Å; Y1468-L1487 HydrophobicContact CD1-CD1 4.23Å; Y1468-L1487 HydrophobicContact CD1-CD2 3.87Å; Y1468-L1487 HydrophobicContact CD1-CG 3.86Å; Y1468-L1487 HydrophobicContact CE1-CD2 3.91Å; Y1468-L1487 HydrophobicContact CE1-CG 4.19Å; Y1468-L1487 HydrophobicContact CG-CD1 4.39Å; Y1468-L1488 WeakPolarHBondContact CA-O 3.36Å; Y1468-L1488 WeakPolarHBondContact CB-O 3.33Å; Y1468-L1488 WeakPolarHBondContact CD1-O 3.39Å; Y1468-N1489 HydrophobicContact CD1-CB 3.95Å; Y1468-N1489 HydrophobicContact CE1-CB 3.61Å; Y1468-N1489 VanDerWaalsContact CE1-CG 3.43Å; Y1468-N1489 WeakPolarHBondContact CE1-ND2 3.34Å; Y1468-N1489 VanDerWaalsContact CE1-OD1 3.27Å; Y1468-N1489 WeakPolarHBondContact CE1-OD1 3.02Å; Y1468-N1489 HydrophobicContact CG-CB 4.21Å; Y1468-N1489 PolarHBondContact OH-ND2 2.89Å
1469	V	42.8	Very low	41.1	Very low	58.2 Å²	58.2	96.2 Å²	96.2	35%	0.353	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	99.3	174.3	-172.5	0	0	0	0	110.8	N1461 K1463 K1471 L1488 N1490	N1461-V1469 CarbonylContact O-C 3.09Å; N1461-V1469 VanDerWaalsContact O-O 3.05Å; K1463-V1469 HydrophobicContact CD-CG2 4.48Å; K1463-V1469 HydrophobicContact CG-CB 4.48Å; K1463-V1469 HydrophobicContact CG-CG2 4.32Å; V1469-K1471 VanDerWaalsContact O-CE 3.24Å; V1469-K1471 WeakPolarHBondContact O-CE 3.41Å; V1469-K1471 VanDerWaalsContact O-CG 3.28Å; V1469-K1471 WeakPolarHBondContact O-CG 3.49Å; V1469-L1488 HydrophobicContact CB-CB 4.48Å; V1469-L1488 PolarHBondContact N-O 3.07Å; V1469-L1488 PolarHBondContact O-N 3.23Å; V1469-L1488 VanDerWaalsContact O-N 3.08Å; V1469-N1490 WeakPolarHBondContact CG2-ND2 3.41Å
1470	G	43.6	Very low	41.1	Very low	17.2 Å²	17.2	94.9 Å²	94.9	18%	0.177	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.3	177.9	0	0	0	0	0	113.3	N1461 Y1462 Y1468 E1486 L1487	N1461-G1470 CarbonylContact C-O 3.14Å; N1461-G1470 CarbonylContact O-C 3.5Å; N1461-G1470 PolarHBondContact O-N 2.7Å; Y1462-G1470 VanDerWaalsContact C-C 3.49Å; Y1462-G1470 VanDerWaalsContact C-CA 3.43Å; Y1462-G1470 CarbonylContact C-O 3.33Å; Y1462-G1470 WeakPolarHBondContact CA-O 3.3Å; Y1462-G1470 WeakPolarHBondContact CB-O 3.13Å; Y1462-G1470 WeakPolarHBondContact CD1-O 3.17Å; Y1462-G1470 VanDerWaalsContact CG-O 3.24Å; Y1462-G1470 PolarHBondContact N-O 2.81Å; Y1462-G1470 CarbonylContact O-C 3.39Å; Y1462-G1470 WeakPolarHBondContact O-CA 3.35Å; Y1462-G1470 PolarHBondContact O-N 2.98Å; Y1468-G1470 PolarHBondContact O-N 2.81Å; G1470-E1486 CarbonylContact C-O 3.56Å; G1470-E1486 WeakPolarHBondContact CA-O 3.33Å; G1470-L1487 VanDerWaalsContact C-CD1 3.49Å
1471	K	44.6	Very low	41.3	Very low	104.6 Å²	104.6	89.3 Å²	89.3	46%	0.455	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.6	172.2	-69	-178.1	-175.5	162.6	0	109.6	L1460 N1461 V1469 K1473 L1484 F1485 E1486	L1460-K1471 CarbonylContact O-C 3.56Å; L1460-K1471 WeakPolarHBondContact O-CA 3.15Å; N1461-K1471 HydrophobicContact CB-CG 4.23Å; N1461-K1471 VanDerWaalsContact OD1-CB 3.29Å; N1461-K1471 WeakPolarHBondContact OD1-CB 2.93Å; N1461-K1471 WeakPolarHBondContact OD1-CE 3.05Å; N1461-K1471 WeakPolarHBondContact OD1-CG 3.27Å; V1469-K1471 VanDerWaalsContact O-CE 3.24Å; V1469-K1471 WeakPolarHBondContact O-CE 3.41Å; V1469-K1471 VanDerWaalsContact O-CG 3.28Å; V1469-K1471 WeakPolarHBondContact O-CG 3.49Å; K1471-K1473 PolarHBondContact O-N 2.77Å; K1471-L1484 CarbonylContact C-O 2.88Å; K1471-L1484 VanDerWaalsContact C-O 3.3Å; K1471-L1484 HydrophobicContact CB-CD2 4.09Å; K1471-L1484 CarbonylContact O-C 3.38Å; K1471-L1484 VanDerWaalsContact O-CD2 3.3Å; K1471-L1484 WeakPolarHBondContact O-CD2 3.29Å; K1471-L1484 VanDerWaalsContact O-O 3.14Å; K1471-F1485 CarbonylContact O-C 3.03Å; K1471-F1485 VanDerWaalsContact O-C 3.31Å; K1471-F1485 VanDerWaalsContact O-CA 3.25Å; K1471-F1485 WeakPolarHBondContact O-CA 3.28Å; K1471-F1485 PolarHBondContact O-N 2.61Å; K1471-E1486 WeakPolarHBondContact CA-O 3.35Å; K1471-E1486 HydrophobicContact CB-CB 4.28Å; K1471-E1486 VanDerWaalsContact CB-O 3.29Å; K1471-E1486 WeakPolarHBondContact CB-O 3.14Å; K1471-E1486 WeakPolarHBondContact CD-OE2 3.44Å; K1471-E1486 WeakPolarHBondContact CE-OE2 3.35Å; K1471-E1486 HydrophobicContact CG-CB 4.45Å; K1471-E1486 PolarHBondContact N-O 3.04Å; K1471-E1486 IonicContact NZ-OE2 2.81Å; K1471-E1486 PolarHBondContact NZ-OE2 3.03Å; K1471-E1486 PolarHBondContact O-N 3.07Å; K1471-E1486 VanDerWaalsContact O-N 3.12Å
1472	L	39	Very low	41.6	Very low	63 Å²	63	87 Å²	87	33%	0.33	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	111.3	169.5	-170.2	132.2	0	0	0	109.1	L1459 L1460 Y1462 L1474 I1483 L1484 F1485 I2150 Q2151	L1459-L1472 CarbonylContact C-O 3.51Å; L1460-L1472 CarbonylContact C-O 3.48Å; L1460-L1472 PolarHBondContact N-O 2.79Å; L1460-L1472 CarbonylContact O-C 3.41Å; L1460-L1472 PolarHBondContact O-N 3.36Å; L1460-L1472 VanDerWaalsContact O-O 3.08Å; Y1462-L1472 HydrophobicContact CD1-CB 3.44Å; Y1462-L1472 VanDerWaalsContact CD1-CB 3.44Å; Y1462-L1472 HydrophobicContact CE1-CB 3.43Å; Y1462-L1472 HydrophobicContact CE1-CD1 4.25Å; Y1462-L1472 HydrophobicContact CE1-CG 4.09Å; L1472-L1474 HydrophobicContact CD2-CB 4.43Å; L1472-L1474 HydrophobicContact CD2-CD1 3.92Å; L1472-L1474 HydrophobicContact CD2-CD2 4.48Å; L1472-L1474 HydrophobicContact CD2-CG 4.09Å; L1472-L1474 HydrophobicContact CG-CD1 4.31Å; L1472-I1483 HydrophobicContact CD1-CG2 4.32Å; L1472-I1483 HydrophobicContact CG-CG2 4.2Å; L1472-L1484 CarbonylContact C-O 3.4Å; L1472-L1484 VanDerWaalsContact C-O 3.25Å; L1472-L1484 VanDerWaalsContact CA-O 3.31Å; L1472-L1484 WeakPolarHBondContact CA-O 3.34Å; L1472-L1484 PolarHBondContact N-O 3.36Å; L1472-F1485 HydrophobicContact CB-CB 3.9Å; L1472-F1485 HydrophobicContact CB-CD2 4.21Å; L1472-F1485 HydrophobicContact CB-CG 4.26Å; L1472-F1485 HydrophobicContact CD1-CB 4.46Å; L1472-F1485 HydrophobicContact CD1-CD2 3.62Å; L1472-F1485 VanDerWaalsContact CD1-CD2 3.5Å; L1472-F1485 HydrophobicContact CD1-CE2 3.44Å; L1472-F1485 VanDerWaalsContact CD1-CE2 3.44Å; L1472-F1485 HydrophobicContact CD1-CG 4.06Å; L1472-F1485 HydrophobicContact CD2-CD1 3.94Å; L1472-F1485 HydrophobicContact CD2-CE1 4.3Å; L1472-F1485 HydrophobicContact CG-CD2 4.25Å; L1472-I2150 HydrophobicContact CB-CD1 4.07Å; L1472-I2150 HydrophobicContact CD1-CB 4.05Å; L1472-I2150 HydrophobicContact CD1-CD1 4.03Å; L1472-I2150 HydrophobicContact CD1-CG1 3.61Å; L1472-I2150 HydrophobicContact CD1-CG2 4.37Å; L1472-I2150 HydrophobicContact CD2-CD1 4.42Å; L1472-I2150 HydrophobicContact CG-CB 4.42Å; L1472-I2150 HydrophobicContact CG-CD1 3.48Å; L1472-I2150 VanDerWaalsContact CG-CD1 3.48Å; L1472-I2150 HydrophobicContact CG-CG1 3.68Å; L1472-Q2151 WeakPolarHBondContact CD2-O 3.18Å
1473	K	42.1	Very low	41.9	Very low	112.4 Å²	112.4	83.4 Å²	83.4	49%	0.489	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	108.9	179.4	-172.8	-168.5	-177.9	-177.4	0	109.6	L1458 L1459 L1460 K1471 D1482 I1483 L1484 I2150	L1458-K1473 HydrophobicContact CD1-CD 4.41Å; L1458-K1473 HydrophobicContact CD1-CG 3.92Å; L1458-K1473 HydrophobicContact CD2-CD 4.38Å; L1458-K1473 HydrophobicContact CD2-CG 3.94Å; L1458-K1473 HydrophobicContact CG-CG 3.77Å; L1459-K1473 WeakPolarHBondContact O-CA 3.3Å; L1459-K1473 WeakPolarHBondContact O-CB 3.34Å; L1459-K1473 WeakPolarHBondContact O-CG 3.36Å; L1460-K1473 HydrophobicContact CD2-CB 3.95Å; L1460-K1473 HydrophobicContact CD2-CD 3.98Å; L1460-K1473 HydrophobicContact CD2-CG 3.64Å; L1460-K1473 HydrophobicContact CG-CB 4.34Å; L1460-K1473 HydrophobicContact CG-CG 3.98Å; K1471-K1473 PolarHBondContact O-N 2.77Å; K1473-D1482 CarbonylContact C-O 3.43Å; K1473-I1483 WeakPolarHBondContact O-CA 3.4Å; K1473-L1484 HydrophobicContact CB-CB 4.3Å; K1473-L1484 HydrophobicContact CB-CD2 4.15Å; K1473-L1484 HydrophobicContact CD-CB 4.21Å; K1473-L1484 PolarHBondContact N-O 3.07Å; K1473-L1484 PolarHBondContact O-N 2.91Å; K1473-I2150 VanDerWaalsContact C-CD1 3.5Å; K1473-I2150 CarbonylContact C-O 3.12Å; K1473-I2150 VanDerWaalsContact C-O 3.23Å; K1473-I2150 WeakPolarHBondContact O-CD1 3.24Å
1474	L	38	Very low	42.1	Very low	52.8 Å²	52.8	78.8 Å²	78.8	28%	0.276	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134	170.6	-104.2	146	0	0	0	110.1	F1457 L1458 L1459 L1472 L1476 G1481 D1482 I1483 F1485 Y1502 L2149 I2150 Q2151	F1457-L1474 HydrophobicContact CB-CB 3.99Å; F1457-L1474 CarbonylContact O-C 3.43Å; L1458-L1474 CarbonylContact C-O 3.38Å; L1458-L1474 WeakPolarHBondContact CA-O 3.32Å; L1458-L1474 WeakPolarHBondContact CD1-O 3.27Å; L1458-L1474 WeakPolarHBondContact CG-O 3.41Å; L1459-L1474 PolarHBondContact N-O 3.04Å; L1472-L1474 HydrophobicContact CD2-CB 4.43Å; L1472-L1474 HydrophobicContact CD2-CD1 3.92Å; L1472-L1474 HydrophobicContact CD2-CD2 4.48Å; L1472-L1474 HydrophobicContact CD2-CG 4.09Å; L1472-L1474 HydrophobicContact CG-CD1 4.31Å; L1474-L1476 HydrophobicContact CB-CG 4.48Å; L1474-L1476 HydrophobicContact CD1-CB 4.45Å; L1474-L1476 HydrophobicContact CD1-CD1 3.45Å; L1474-L1476 VanDerWaalsContact CD1-CD1 3.45Å; L1474-L1476 HydrophobicContact CD1-CG 3.78Å; L1474-L1476 HydrophobicContact CD2-CB 3.79Å; L1474-L1476 HydrophobicContact CD2-CD1 4.08Å; L1474-L1476 HydrophobicContact CD2-CD2 4Å; L1474-L1476 HydrophobicContact CD2-CG 3.7Å; L1474-L1476 VanDerWaalsContact CD2-CG 3.48Å; L1474-L1476 HydrophobicContact CG-CD1 4.32Å; L1474-L1476 HydrophobicContact CG-CG 4.13Å; L1474-L1476 PolarHBondContact O-N 3.46Å; L1474-G1481 WeakPolarHBondContact CD2-O 3.3Å; L1474-D1482 CarbonylContact C-O 3.45Å; L1474-D1482 VanDerWaalsContact CA-O 3.23Å; L1474-D1482 WeakPolarHBondContact CA-O 3.33Å; L1474-D1482 VanDerWaalsContact CB-C 3.49Å; L1474-D1482 WeakPolarHBondContact CB-O 3.38Å; L1474-I1483 HydrophobicContact CD1-CD1 4.49Å; L1474-I1483 HydrophobicContact CD1-CG1 4.48Å; L1474-I1483 HydrophobicContact CD2-CD1 4.42Å; L1474-I1483 HydrophobicContact CD2-CG1 3.72Å; L1474-I1483 HydrophobicContact CG-CG1 4.32Å; L1474-F1485 HydrophobicContact CD2-CD1 4.03Å; L1474-F1485 HydrophobicContact CD2-CE1 3.46Å; L1474-F1485 VanDerWaalsContact CD2-CE1 3.46Å; L1474-F1485 HydrophobicContact CD2-CZ 4.01Å; L1474-Y1502 HydrophobicContact CD2-CE1 4.17Å; L1474-Y1502 HydrophobicContact CD2-CE2 4.35Å; L1474-L2149 HydrophobicContact CD2-CD2 3.43Å; L1474-L2149 VanDerWaalsContact CD2-CD2 3.43Å; L1474-L2149 HydrophobicContact CD2-CG 4.17Å; L1474-I2150 VanDerWaalsContact CA-O 3.29Å; L1474-I2150 WeakPolarHBondContact CA-O 3.34Å; L1474-I2150 WeakPolarHBondContact CB-O 3.43Å; L1474-I2150 WeakPolarHBondContact CD1-O 3.08Å; L1474-I2150 WeakPolarHBondContact CG-O 3.02Å; L1474-I2150 PolarHBondContact N-O 3Å; L1474-Q2151 HydrophobicContact CD1-CB 3.78Å; L1474-Q2151 HydrophobicContact CD1-CG 3.37Å
1475	N	44.5	Very low	42.2	Very low	59 Å²	59	77.6 Å²	77.6	32%	0.316	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	86.8	171.2	-128.5	-14.6	0	0	0	110.3	N1456 F1457 L1458 K1477 N1480 G1481 D1482	N1456-N1475 CarbonylContact C-O 3.54Å; N1456-N1475 WeakPolarHBondContact CA-O 3.12Å; N1456-N1475 HydrophobicContact CB-CB 4.29Å; N1456-N1475 WeakPolarHBondContact CB-O 3.34Å; N1456-N1475 WeakPolarHBondContact CB-OD1 3.3Å; N1456-N1475 VanDerWaalsContact CG-O 3.25Å; N1456-N1475 PolarHBondContact ND2-ND2 2.72Å; N1456-N1475 PolarHBondContact OD1-O 3.29Å; N1456-N1475 VanDerWaalsContact OD1-O 3.13Å; F1457-N1475 PolarHBondContact N-O 2.99Å; F1457-N1475 PolarHBondContact N-OD1 3.39Å; F1457-N1475 VanDerWaalsContact N-OD1 3.14Å; F1457-N1475 CarbonylContact O-C 3.28Å; F1457-N1475 VanDerWaalsContact O-C 3.25Å; F1457-N1475 WeakPolarHBondContact O-CA 3.35Å; F1457-N1475 PolarHBondContact O-N 2.87Å; L1458-N1475 VanDerWaalsContact CD1-OD1 3.25Å; L1458-N1475 WeakPolarHBondContact CD1-OD1 3.34Å; N1475-K1477 HydrophobicContact CB-CB 3.95Å; N1475-K1477 HydrophobicContact CB-CD 4.44Å; N1475-K1477 HydrophobicContact CB-CG 4.08Å; N1475-K1477 PolarHBondContact O-N 3.11Å; N1475-K1477 VanDerWaalsContact O-N 3.08Å; N1475-N1480 CarbonylContact C-O 3.39Å; N1475-N1480 VanDerWaalsContact C-O 3.29Å; N1475-N1480 CarbonylContact O-C 3.36Å; N1475-N1480 VanDerWaalsContact O-C 3.25Å; N1475-G1481 CarbonylContact O-C 2.99Å; N1475-G1481 WeakPolarHBondContact O-CA 3.25Å; N1475-G1481 PolarHBondContact O-N 2.92Å; N1475-G1481 VanDerWaalsContact O-N 3.15Å; N1475-D1482 HydrophobicContact CB-CB 3.84Å; N1475-D1482 VanDerWaalsContact CB-OD2 3.23Å; N1475-D1482 WeakPolarHBondContact CB-OD2 2.84Å; N1475-D1482 PolarHBondContact N-O 3.15Å; N1475-D1482 VanDerWaalsContact N-O 3.11Å; N1475-D1482 PolarHBondContact ND2-OD2 2.96Å; N1475-D1482 PolarHBondContact O-N 3.11Å
1476	L	37.2	Very low	42.5	Very low	80.4 Å²	80.4	75.3 Å²	75.3	42%	0.421	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	36.5	178.9	-64.7	154.1	0	0	0	113.7	I1455 N1456 F1457 L1474 K1478 L1479 N1480 Y1502 Q2151	I1455-L1476 HydrophobicContact CB-CD1 4.31Å; I1455-L1476 HydrophobicContact CD1-CD1 4.37Å; N1456-L1476 CarbonylContact C-O 3.53Å; N1456-L1476 WeakPolarHBondContact CA-O 3.47Å; F1457-L1476 HydrophobicContact CB-CB 3.92Å; F1457-L1476 HydrophobicContact CB-CD1 3.14Å; F1457-L1476 HydrophobicContact CB-CG 4.4Å; F1457-L1476 VanDerWaalsContact N-C 3.25Å; F1457-L1476 VanDerWaalsContact N-N 3.17Å; F1457-L1476 PolarHBondContact N-O 2.9Å; F1457-L1476 PolarHBondContact O-N 3.01Å; L1474-L1476 HydrophobicContact CB-CG 4.48Å; L1474-L1476 HydrophobicContact CD1-CB 4.45Å; L1474-L1476 HydrophobicContact CD1-CD1 3.45Å; L1474-L1476 VanDerWaalsContact CD1-CD1 3.45Å; L1474-L1476 HydrophobicContact CD1-CG 3.78Å; L1474-L1476 HydrophobicContact CD2-CB 3.79Å; L1474-L1476 HydrophobicContact CD2-CD1 4.08Å; L1474-L1476 HydrophobicContact CD2-CD2 4Å; L1474-L1476 HydrophobicContact CD2-CG 3.7Å; L1474-L1476 VanDerWaalsContact CD2-CG 3.48Å; L1474-L1476 HydrophobicContact CG-CD1 4.32Å; L1474-L1476 HydrophobicContact CG-CG 4.13Å; L1474-L1476 PolarHBondContact O-N 3.46Å; L1476-K1478 VanDerWaalsContact C-N 3.29Å; L1476-K1478 CarbonylContact O-C 3.2Å; L1476-K1478 PolarHBondContact O-N 2.97Å; L1476-L1479 CarbonylContact O-C 3Å; L1476-L1479 WeakPolarHBondContact O-CG 3.35Å; L1476-L1479 PolarHBondContact O-N 3.15Å; L1476-L1479 VanDerWaalsContact O-N 3.15Å; L1476-N1480 CarbonylContact C-O 3.34Å; L1476-N1480 WeakPolarHBondContact CA-O 3.36Å; L1476-Y1502 WeakPolarHBondContact CD1-OH 3.47Å; L1476-Y1502 HydrophobicContact CD2-CE2 3.86Å; L1476-Y1502 WeakPolarHBondContact CD2-OH 3.22Å; L1476-Y1502 HydrophobicContact CG-CE2 4.43Å; L1476-Y1502 VanDerWaalsContact CG-OH 3.32Å; L1476-Y1502 WeakPolarHBondContact CG-OH 3.17Å; L1476-Q2151 HydrophobicContact CD1-CG 3.96Å
1477	K	40.7	Very low	42.3	Very low	149.4 Å²	149.4	69.5 Å²	69.5	65%	0.65	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	99	-178.3	-99	-170.6	-166.9	176.1	0	111.3	I1455 N1456 F1457 N1475 L1479 N1480	I1455-K1477 CarbonylContact C-O 3.53Å; I1455-K1477 WeakPolarHBondContact CA-O 3.33Å; I1455-K1477 WeakPolarHBondContact CB-O 3.3Å; I1455-K1477 HydrophobicContact CG2-CB 3.58Å; I1455-K1477 HydrophobicContact CG2-CD 3.13Å; I1455-K1477 HydrophobicContact CG2-CG 3.26Å; N1456-K1477 PolarHBondContact N-O 2.78Å; N1456-K1477 WeakPolarHBondContact O-CB 3.27Å; N1456-K1477 VanDerWaalsContact O-CD 3.29Å; N1456-K1477 WeakPolarHBondContact O-CD 3.49Å; N1456-K1477 WeakPolarHBondContact O-CE 3.48Å; N1456-K1477 PolarHBondContact O-NZ 2.73Å; F1457-K1477 HydrophobicContact CB-CB 3.74Å; F1457-K1477 HydrophobicContact CD1-CB 4.45Å; F1457-K1477 HydrophobicContact CD1-CG 4.5Å; F1457-K1477 HydrophobicContact CD2-CB 3.29Å; F1457-K1477 HydrophobicContact CD2-CG 3.59Å; F1457-K1477 HydrophobicContact CE2-CB 3.99Å; F1457-K1477 HydrophobicContact CE2-CG 3.74Å; F1457-K1477 HydrophobicContact CG-CB 3.54Å; F1457-K1477 HydrophobicContact CG-CG 3.96Å; F1457-K1477 HydrophobicContact CZ-CG 4.27Å; N1475-K1477 HydrophobicContact CB-CB 3.95Å; N1475-K1477 HydrophobicContact CB-CD 4.44Å; N1475-K1477 HydrophobicContact CB-CG 4.08Å; N1475-K1477 PolarHBondContact O-N 3.11Å; N1475-K1477 VanDerWaalsContact O-N 3.08Å; K1477-L1479 PolarHBondContact O-N 2.93Å; K1477-N1480 WeakPolarHBondContact CA-O 3.5Å; K1477-N1480 WeakPolarHBondContact CB-O 3.23Å; K1477-N1480 PolarHBondContact N-O 2.99Å; K1477-N1480 PolarHBondContact O-N 3.14Å; K1477-N1480 VanDerWaalsContact O-O 3.05Å
1478	K	41.6	Very low	42.6	Very low	157.6 Å²	157.6	68.8 Å²	68.8	69%	0.685	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	32.3	54.6	-177.7	-82.7	-175	178.7	-179.2	0	114.3	S1453 I1455 N1456 L1476 N1480 N1505	S1453-K1478 PolarHBondContact OG-NZ 2.76Å; I1455-K1478 VanDerWaalsContact C-C 3.46Å; I1455-K1478 CarbonylContact C-O 3.35Å; I1455-K1478 HydrophobicContact CB-CB 3.87Å; I1455-K1478 HydrophobicContact CB-CD 4.23Å; I1455-K1478 HydrophobicContact CB-CG 3.9Å; I1455-K1478 HydrophobicContact CD1-CD 3.93Å; I1455-K1478 HydrophobicContact CD1-CG 3.91Å; I1455-K1478 HydrophobicContact CG1-CB 4.38Å; I1455-K1478 HydrophobicContact CG1-CD 3.8Å; I1455-K1478 HydrophobicContact CG1-CG 3.91Å; I1455-K1478 CarbonylContact O-C 3.28Å; N1456-K1478 WeakPolarHBondContact OD1-CA 3.35Å; N1456-K1478 PolarHBondContact OD1-N 2.87Å; L1476-K1478 VanDerWaalsContact C-N 3.29Å; L1476-K1478 CarbonylContact O-C 3.2Å; L1476-K1478 PolarHBondContact O-N 2.97Å; K1478-N1480 CarbonylContact O-C 3.55Å; K1478-N1480 PolarHBondContact O-N 2.87Å; K1478-N1505 WeakPolarHBondContact O-CB 3.36Å; K1478-N1505 PolarHBondContact O-ND2 3.39Å
1479	L	42.1	Very low	42.9	Very low	98 Å²	98	66 Å²	66	51%	0.513	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-14.8	174.2	-79.1	167.3	0	0	0	115	K1454 I1455 L1476 K1477 L1504 N1505	K1454-L1479 HydrophobicContact CB-CD1 4.06Å; K1454-L1479 HydrophobicContact CG-CD1 3.77Å; I1455-L1479 WeakPolarHBondContact O-CA 3.39Å; I1455-L1479 PolarHBondContact O-N 3.38Å; L1476-L1479 CarbonylContact O-C 3Å; L1476-L1479 WeakPolarHBondContact O-CG 3.35Å; L1476-L1479 PolarHBondContact O-N 3.15Å; L1476-L1479 VanDerWaalsContact O-N 3.15Å; K1477-L1479 PolarHBondContact O-N 2.93Å; L1479-L1504 HydrophobicContact CB-CB 4.08Å; L1479-L1504 HydrophobicContact CB-CD1 4.4Å; L1479-L1504 HydrophobicContact CD2-CB 4.01Å; L1479-L1504 HydrophobicContact CD2-CD1 3.79Å; L1479-L1504 HydrophobicContact CD2-CG 4.31Å; L1479-L1504 WeakPolarHBondContact CD2-O 3.04Å; L1479-L1504 HydrophobicContact CG-CB 4.06Å; L1479-L1504 WeakPolarHBondContact O-CA 3.43Å; L1479-L1504 VanDerWaalsContact O-CB 3.27Å; L1479-L1504 WeakPolarHBondContact O-CB 3.14Å; L1479-L1504 WeakPolarHBondContact O-CD1 3.39Å; L1479-L1504 WeakPolarHBondContact O-CG 3.35Å; L1479-L1504 PolarHBondContact O-N 3.07Å; L1479-L1504 VanDerWaalsContact O-N 3.15Å; L1479-N1505 VanDerWaalsContact CB-CA 3.42Å; L1479-N1505 HydrophobicContact CB-CB 3.93Å; L1479-N1505 VanDerWaalsContact CB-N 3.29Å; L1479-N1505 WeakPolarHBondContact CB-OD1 3.17Å; L1479-N1505 PolarHBondContact O-N 2.83Å
1480	N	36.3	Very low	43.2	Very low	65 Å²	65	67.8 Å²	67.8	35%	0.348	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.1	169.9	-72.9	21	0	0	0	110.5	N1475 L1476 K1477 K1478 D1503 L1504 N1505	N1475-N1480 CarbonylContact C-O 3.39Å; N1475-N1480 VanDerWaalsContact C-O 3.29Å; N1475-N1480 CarbonylContact O-C 3.36Å; N1475-N1480 VanDerWaalsContact O-C 3.25Å; L1476-N1480 CarbonylContact C-O 3.34Å; L1476-N1480 WeakPolarHBondContact CA-O 3.36Å; K1477-N1480 WeakPolarHBondContact CA-O 3.5Å; K1477-N1480 WeakPolarHBondContact CB-O 3.23Å; K1477-N1480 PolarHBondContact N-O 2.99Å; K1477-N1480 PolarHBondContact O-N 3.14Å; K1477-N1480 VanDerWaalsContact O-O 3.05Å; K1478-N1480 CarbonylContact O-C 3.55Å; K1478-N1480 PolarHBondContact O-N 2.87Å; N1480-D1503 HydrophobicContact CB-CB 4.43Å; N1480-D1503 WeakPolarHBondContact CB-OD1 3.34Å; N1480-D1503 VanDerWaalsContact CG-CG 3.49Å; N1480-D1503 VanDerWaalsContact CG-OD2 3.24Å; N1480-D1503 VanDerWaalsContact ND2-CG 3.27Å; N1480-D1503 PolarHBondContact ND2-OD1 3.19Å; N1480-D1503 PolarHBondContact ND2-OD2 3.11Å; N1480-D1503 WeakPolarHBondContact OD1-CA 3.27Å; N1480-D1503 WeakPolarHBondContact OD1-CB 3.23Å; N1480-D1503 PolarHBondContact OD1-OD1 3.07Å; N1480-D1503 PolarHBondContact OD1-OD2 3.36Å; N1480-L1504 PolarHBondContact OD1-N 3.19Å; N1480-N1505 WeakPolarHBondContact CB-ND2 3.4Å; N1480-N1505 VanDerWaalsContact CG-CG 3.46Å; N1480-N1505 PolarHBondContact ND2-ND2 2.8Å; N1480-N1505 WeakPolarHBondContact OD1-CA 3.27Å; N1480-N1505 WeakPolarHBondContact OD1-CB 3.25Å; N1480-N1505 PolarHBondContact OD1-N 2.93Å; N1480-N1505 PolarHBondContact OD1-ND2 2.83Å
1481	G	42.8	Very low	43.3	Very low	6.8 Å²	6.8	72.1 Å²	72.1	7%	0.07	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	108.6	169.9	0	0	0	0	0	114.7	L1474 N1475 I1483 Y1502 L2149	L1474-G1481 WeakPolarHBondContact CD2-O 3.3Å; N1475-G1481 CarbonylContact O-C 2.99Å; N1475-G1481 WeakPolarHBondContact O-CA 3.25Å; N1475-G1481 PolarHBondContact O-N 2.92Å; N1475-G1481 VanDerWaalsContact O-N 3.15Å; G1481-I1483 PolarHBondContact O-N 2.88Å; G1481-Y1502 CarbonylContact C-O 3.45Å; G1481-Y1502 WeakPolarHBondContact CA-O 3.33Å; G1481-Y1502 PolarHBondContact N-O 3.01Å; G1481-Y1502 VanDerWaalsContact N-O 3.08Å; G1481-Y1502 CarbonylContact O-C 3.44Å; G1481-Y1502 WeakPolarHBondContact O-CD1 3.22Å; G1481-Y1502 WeakPolarHBondContact O-CD2 3.34Å; G1481-Y1502 WeakPolarHBondContact O-CE1 3.19Å; G1481-Y1502 WeakPolarHBondContact O-CE2 3.5Å; G1481-Y1502 PolarHBondContact O-N 3.01Å; G1481-Y1502 VanDerWaalsContact O-O 3.09Å; G1481-L2149 WeakPolarHBondContact O-CG 3.46Å
1482	D	44.1	Very low	43.2	Very low	62.6 Å²	62.6	71.1 Å²	71.1	34%	0.335	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.6	179.9	-59.6	-42.4	0	0	0	111.5	N1456 K1473 L1474 N1475 L1484 I1500 N1501 Y1502	N1456-D1482 PolarHBondContact ND2-OD2 3.13Å; K1473-D1482 CarbonylContact C-O 3.43Å; L1474-D1482 CarbonylContact C-O 3.45Å; L1474-D1482 VanDerWaalsContact CA-O 3.23Å; L1474-D1482 WeakPolarHBondContact CA-O 3.33Å; L1474-D1482 VanDerWaalsContact CB-C 3.49Å; L1474-D1482 WeakPolarHBondContact CB-O 3.38Å; N1475-D1482 HydrophobicContact CB-CB 3.84Å; N1475-D1482 VanDerWaalsContact CB-OD2 3.23Å; N1475-D1482 WeakPolarHBondContact CB-OD2 2.84Å; N1475-D1482 PolarHBondContact N-O 3.15Å; N1475-D1482 VanDerWaalsContact N-O 3.11Å; N1475-D1482 PolarHBondContact ND2-OD2 2.96Å; N1475-D1482 PolarHBondContact O-N 3.11Å; D1482-L1484 PolarHBondContact O-N 3.07Å; D1482-I1500 CarbonylContact C-O 3.38Å; D1482-N1501 HydrophobicContact CB-CB 4.48Å; D1482-N1501 VanDerWaalsContact CG-ND2 3.3Å; D1482-N1501 VanDerWaalsContact CG-OD1 3.3Å; D1482-N1501 WeakPolarHBondContact OD1-CA 3.18Å; D1482-N1501 VanDerWaalsContact OD1-CB 3.28Å; D1482-N1501 WeakPolarHBondContact OD1-CB 3.42Å; D1482-N1501 PolarHBondContact OD1-ND2 2.91Å; D1482-N1501 VanDerWaalsContact OD1-ND2 3.1Å; D1482-N1501 PolarHBondContact OD1-OD1 3.27Å; D1482-N1501 PolarHBondContact OD2-ND2 3.02Å; D1482-Y1502 PolarHBondContact OD1-N 2.91Å; D1482-Y1502 VanDerWaalsContact OD1-N 3.16Å
1483	I	45.6	Very low	43.6	Very low	41 Å²	41	73.4 Å²	73.4	21%	0.21	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.1	163.1	-65.2	165.9	0	0	0	106	L1472 K1473 L1474 G1481 F1485 F1498 N1499 I1500 Y1502 L1504 I1512 K2148 L2149 I2150	L1472-I1483 HydrophobicContact CD1-CG2 4.32Å; L1472-I1483 HydrophobicContact CG-CG2 4.2Å; K1473-I1483 WeakPolarHBondContact O-CA 3.4Å; L1474-I1483 HydrophobicContact CD1-CD1 4.49Å; L1474-I1483 HydrophobicContact CD1-CG1 4.48Å; L1474-I1483 HydrophobicContact CD2-CD1 4.42Å; L1474-I1483 HydrophobicContact CD2-CG1 3.72Å; L1474-I1483 HydrophobicContact CG-CG1 4.32Å; G1481-I1483 PolarHBondContact O-N 2.88Å; I1483-F1485 HydrophobicContact CB-CE2 4.42Å; I1483-F1485 HydrophobicContact CG2-CB 4.41Å; I1483-F1485 HydrophobicContact CG2-CD2 3.89Å; I1483-F1485 HydrophobicContact CG2-CE2 3.4Å; I1483-F1485 VanDerWaalsContact CG2-CE2 3.4Å; I1483-F1485 HydrophobicContact CG2-CZ 4Å; I1483-F1498 HydrophobicContact CD1-CD1 3.9Å; I1483-F1498 HydrophobicContact CD1-CE1 3.36Å; I1483-F1498 HydrophobicContact CD1-CZ 3.98Å; I1483-F1498 HydrophobicContact CG1-CD1 3.87Å; I1483-F1498 HydrophobicContact CG1-CE1 3.76Å; I1483-F1498 HydrophobicContact CG2-CD1 3.67Å; I1483-F1498 HydrophobicContact CG2-CE1 4.37Å; I1483-F1498 HydrophobicContact CG2-CG 4.33Å; I1483-F1498 WeakPolarHBondContact CG2-O 3.3Å; I1483-N1499 PolarHBondContact O-OD1 3Å; I1483-N1499 VanDerWaalsContact O-OD1 3.1Å; I1483-I1500 CarbonylContact C-O 3.54Å; I1483-I1500 WeakPolarHBondContact CA-O 3.13Å; I1483-I1500 HydrophobicContact CB-CB 4.07Å; I1483-I1500 HydrophobicContact CB-CD1 3.89Å; I1483-I1500 HydrophobicContact CB-CG1 3.83Å; I1483-I1500 HydrophobicContact CB-CG2 3.5Å; I1483-I1500 HydrophobicContact CD1-CB 4.42Å; I1483-I1500 HydrophobicContact CD1-CD1 3.65Å; I1483-I1500 HydrophobicContact CD1-CG1 4.44Å; I1483-I1500 HydrophobicContact CD1-CG2 3.84Å; I1483-I1500 HydrophobicContact CG1-CB 4.36Å; I1483-I1500 HydrophobicContact CG1-CD1 4.02Å; I1483-I1500 HydrophobicContact CG1-CG2 4.17Å; I1483-I1500 HydrophobicContact CG2-CB 3.45Å; I1483-I1500 VanDerWaalsContact CG2-CB 3.45Å; I1483-I1500 HydrophobicContact CG2-CD1 3.38Å; I1483-I1500 HydrophobicContact CG2-CG1 3.4Å; I1483-I1500 HydrophobicContact CG2-CG2 4.13Å; I1483-I1500 PolarHBondContact N-O 2.9Å; I1483-I1500 CarbonylContact O-C 3.51Å; I1483-I1500 WeakPolarHBondContact O-CA 3.35Å; I1483-I1500 WeakPolarHBondContact O-CB 3.34Å; I1483-I1500 PolarHBondContact O-N 2.95Å; I1483-I1500 VanDerWaalsContact O-N 3.11Å; I1483-Y1502 HydrophobicContact CD1-CD1 3.75Å; I1483-Y1502 HydrophobicContact CD1-CE1 3.8Å; I1483-Y1502 HydrophobicContact CG1-CD1 3.83Å; I1483-Y1502 HydrophobicContact CG1-CE1 3.85Å; I1483-Y1502 PolarHBondContact N-O 2.84Å; I1483-Y1502 PolarHBondContact O-N 2.85Å; I1483-L1504 HydrophobicContact CD1-CD1 4.08Å; I1483-I1512 HydrophobicContact CD1-CD1 4.47Å; I1483-K2148 HydrophobicContact CD1-CD 4.45Å; I1483-L2149 WeakPolarHBondContact CD1-O 3.47Å; I1483-L2149 VanDerWaalsContact CG1-O 3.23Å; I1483-L2149 WeakPolarHBondContact CG1-O 3.19Å; I1483-L2149 VanDerWaalsContact N-CB 3.26Å; I1483-I2150 HydrophobicContact CB-CB 4.23Å; I1483-I2150 HydrophobicContact CB-CD1 4.14Å; I1483-I2150 HydrophobicContact CB-CG1 3.62Å; I1483-I2150 VanDerWaalsContact CB-N 3.33Å; I1483-I2150 HydrophobicContact CD1-CG2 3.96Å; I1483-I2150 HydrophobicContact CG1-CB 3.51Å; I1483-I2150 HydrophobicContact CG1-CD1 4.32Å; I1483-I2150 HydrophobicContact CG1-CG1 3.26Å; I1483-I2150 HydrophobicContact CG1-CG2 3.35Å; I1483-I2150 HydrophobicContact CG2-CD1 4.22Å; I1483-I2150 HydrophobicContact CG2-CG1 3.83Å; I1483-I2150 VanDerWaalsContact N-N 3.17Å
1484	L	43.9	Very low	43.7	Very low	51.2 Å²	51.2	69.8 Å²	69.8	27%	0.268	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.8	168.8	-156.7	155.4	0	0	0	107.7	K1471 L1472 K1473 D1482 E1486 N1499	K1471-L1484 CarbonylContact C-O 2.88Å; K1471-L1484 VanDerWaalsContact C-O 3.3Å; K1471-L1484 HydrophobicContact CB-CD2 4.09Å; K1471-L1484 CarbonylContact O-C 3.38Å; K1471-L1484 VanDerWaalsContact O-CD2 3.3Å; K1471-L1484 WeakPolarHBondContact O-CD2 3.29Å; K1471-L1484 VanDerWaalsContact O-O 3.14Å; L1472-L1484 CarbonylContact C-O 3.4Å; L1472-L1484 VanDerWaalsContact C-O 3.25Å; L1472-L1484 VanDerWaalsContact CA-O 3.31Å; L1472-L1484 WeakPolarHBondContact CA-O 3.34Å; L1472-L1484 PolarHBondContact N-O 3.36Å; K1473-L1484 HydrophobicContact CB-CB 4.3Å; K1473-L1484 HydrophobicContact CB-CD2 4.15Å; K1473-L1484 HydrophobicContact CD-CB 4.21Å; K1473-L1484 PolarHBondContact N-O 3.07Å; K1473-L1484 PolarHBondContact O-N 2.91Å; D1482-L1484 PolarHBondContact O-N 3.07Å; L1484-E1486 VanDerWaalsContact C-N 3.27Å; L1484-E1486 HydrophobicContact CD2-CB 4.05Å; L1484-E1486 VanDerWaalsContact CD2-CB 3.43Å; L1484-E1486 HydrophobicContact CD2-CG 3.66Å; L1484-E1486 HydrophobicContact CG-CB 3.84Å; L1484-E1486 HydrophobicContact CG-CG 4.16Å; L1484-N1499 WeakPolarHBondContact CA-OD1 3.24Å; L1484-N1499 VanDerWaalsContact CB-OD1 3.3Å; L1484-N1499 WeakPolarHBondContact CB-OD1 3.27Å; L1484-N1499 HydrophobicContact CD1-CB 4.49Å; L1484-N1499 WeakPolarHBondContact CD1-OD1 3.01Å; L1484-N1499 VanDerWaalsContact CD2-OD1 3.25Å; L1484-N1499 WeakPolarHBondContact CD2-OD1 3.5Å; L1484-N1499 HydrophobicContact CG-CB 4.19Å; L1484-N1499 VanDerWaalsContact CG-OD1 3.26Å; L1484-N1499 WeakPolarHBondContact CG-OD1 3.28Å
1485	F	44.6	Very low	44.3	Very low	49.8 Å²	49.8	70.2 Å²	70.2	22%	0.218	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	97.8	167.6	-155.6	-89.7	0	0	0	107.9	Y1462 I1464 K1471 L1472 L1474 I1483 L1487 F1498 N1499 I1500	Y1462-F1485 AromaticContact CE1-CD2 3.46Å; Y1462-F1485 HydrophobicContact CE1-CD2 3.46Å; Y1462-F1485 VanDerWaalsContact CE1-CD2 3.46Å; Y1462-F1485 HydrophobicContact CE1-CE2 4.3Å; Y1462-F1485 HydrophobicContact CE1-CG 4.02Å; Y1462-F1485 AromaticContact CZ-CD2 3.67Å; Y1462-F1485 AromaticContact CZ-CE2 3.98Å; Y1462-F1485 WeakPolarHBondContact OH-CD2 3.46Å; Y1462-F1485 VanDerWaalsContact OH-CE2 3.29Å; Y1462-F1485 WeakPolarHBondContact OH-CE2 3.39Å; Y1462-F1485 WeakPolarHBondContact OH-CZ 3.49Å; I1464-F1485 HydrophobicContact CD1-CE2 4.24Å; I1464-F1485 HydrophobicContact CD1-CZ 3.93Å; K1471-F1485 CarbonylContact O-C 3.03Å; K1471-F1485 VanDerWaalsContact O-C 3.31Å; K1471-F1485 VanDerWaalsContact O-CA 3.25Å; K1471-F1485 WeakPolarHBondContact O-CA 3.28Å; K1471-F1485 PolarHBondContact O-N 2.61Å; L1472-F1485 HydrophobicContact CB-CB 3.9Å; L1472-F1485 HydrophobicContact CB-CD2 4.21Å; L1472-F1485 HydrophobicContact CB-CG 4.26Å; L1472-F1485 HydrophobicContact CD1-CB 4.46Å; L1472-F1485 HydrophobicContact CD1-CD2 3.62Å; L1472-F1485 VanDerWaalsContact CD1-CD2 3.5Å; L1472-F1485 HydrophobicContact CD1-CE2 3.44Å; L1472-F1485 VanDerWaalsContact CD1-CE2 3.44Å; L1472-F1485 HydrophobicContact CD1-CG 4.06Å; L1472-F1485 HydrophobicContact CD2-CD1 3.94Å; L1472-F1485 HydrophobicContact CD2-CE1 4.3Å; L1472-F1485 HydrophobicContact CG-CD2 4.25Å; L1474-F1485 HydrophobicContact CD2-CD1 4.03Å; L1474-F1485 HydrophobicContact CD2-CE1 3.46Å; L1474-F1485 VanDerWaalsContact CD2-CE1 3.46Å; L1474-F1485 HydrophobicContact CD2-CZ 4.01Å; I1483-F1485 HydrophobicContact CB-CE2 4.42Å; I1483-F1485 HydrophobicContact CG2-CB 4.41Å; I1483-F1485 HydrophobicContact CG2-CD2 3.89Å; I1483-F1485 HydrophobicContact CG2-CE2 3.4Å; I1483-F1485 VanDerWaalsContact CG2-CE2 3.4Å; I1483-F1485 HydrophobicContact CG2-CZ 4Å; F1485-L1487 HydrophobicContact CB-CD1 4.48Å; F1485-L1487 HydrophobicContact CD1-CB 4.22Å; F1485-L1487 HydrophobicContact CD1-CD1 3.45Å; F1485-L1487 VanDerWaalsContact CD1-CD1 3.45Å; F1485-L1487 HydrophobicContact CD1-CD2 3.14Å; F1485-L1487 HydrophobicContact CD1-CG 3.78Å; F1485-L1487 HydrophobicContact CE1-CB 4Å; F1485-L1487 HydrophobicContact CE1-CD1 4.31Å; F1485-L1487 HydrophobicContact CE1-CD2 3.27Å; F1485-L1487 HydrophobicContact CE1-CG 4.45Å; F1485-L1487 HydrophobicContact CG-CD1 3.85Å; F1485-L1487 HydrophobicContact CG-CD2 4.43Å; F1485-L1487 HydrophobicContact CZ-CB 4.29Å; F1485-L1487 HydrophobicContact CZ-CD1 3.76Å; F1485-F1498 CarbonylContact C-O 3.39Å; F1485-F1498 WeakPolarHBondContact CA-O 3.46Å; F1485-F1498 HydrophobicContact CB-CB 4.15Å; F1485-F1498 HydrophobicContact CB-CD1 4.19Å; F1485-F1498 WeakPolarHBondContact CB-O 3.34Å; F1485-F1498 HydrophobicContact CD1-CB 4.09Å; F1485-F1498 HydrophobicContact CD1-CD1 4.04Å; F1485-F1498 HydrophobicContact CD1-CG 4.46Å; F1485-F1498 HydrophobicContact CG-CB 4.31Å; F1485-F1498 HydrophobicContact CG-CD1 4.4Å; F1485-F1498 PolarHBondContact N-O 2.95Å; F1485-F1498 CarbonylContact O-C 3.56Å; F1485-F1498 VanDerWaalsContact O-CA 3.32Å; F1485-F1498 WeakPolarHBondContact O-CA 3.23Å; F1485-F1498 VanDerWaalsContact O-CB 3.25Å; F1485-F1498 WeakPolarHBondContact O-CB 3.45Å; F1485-F1498 PolarHBondContact O-N 2.78Å; F1485-F1498 VanDerWaalsContact O-N 3.09Å; F1485-F1498 VanDerWaalsContact O-O 3.07Å; F1485-N1499 WeakPolarHBondContact O-CA 3.48Å; F1485-I1500 HydrophobicContact CB-CB 4.03Å; F1485-I1500 HydrophobicContact CB-CG1 4.5Å; F1485-I1500 HydrophobicContact CD2-CB 3.8Å; F1485-I1500 HydrophobicContact CD2-CG2 4.16Å; F1485-I1500 HydrophobicContact CG-CB 4.21Å; F1485-I1500 PolarHBondContact N-O 3.02Å; F1485-I1500 VanDerWaalsContact N-O 3.1Å
1486	E	45.5	Very low	44.6	Very low	53.8 Å²	53.8	69.8 Å²	69.8	25%	0.251	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.1	173.1	-99	-179.3	-168.3	0	0	109.2	G1470 K1471 L1484 L1488 Q1497 N1499	G1470-E1486 CarbonylContact C-O 3.56Å; G1470-E1486 WeakPolarHBondContact CA-O 3.33Å; K1471-E1486 WeakPolarHBondContact CA-O 3.35Å; K1471-E1486 HydrophobicContact CB-CB 4.28Å; K1471-E1486 VanDerWaalsContact CB-O 3.29Å; K1471-E1486 WeakPolarHBondContact CB-O 3.14Å; K1471-E1486 WeakPolarHBondContact CD-OE2 3.44Å; K1471-E1486 WeakPolarHBondContact CE-OE2 3.35Å; K1471-E1486 HydrophobicContact CG-CB 4.45Å; K1471-E1486 PolarHBondContact N-O 3.04Å; K1471-E1486 IonicContact NZ-OE2 2.81Å; K1471-E1486 PolarHBondContact NZ-OE2 3.03Å; K1471-E1486 PolarHBondContact O-N 3.07Å; K1471-E1486 VanDerWaalsContact O-N 3.12Å; L1484-E1486 VanDerWaalsContact C-N 3.27Å; L1484-E1486 HydrophobicContact CD2-CB 4.05Å; L1484-E1486 VanDerWaalsContact CD2-CB 3.43Å; L1484-E1486 HydrophobicContact CD2-CG 3.66Å; L1484-E1486 HydrophobicContact CG-CB 3.84Å; L1484-E1486 HydrophobicContact CG-CG 4.16Å; E1486-L1488 HydrophobicContact CB-CD1 4.48Å; E1486-L1488 HydrophobicContact CB-CG 4.48Å; E1486-L1488 PolarHBondContact O-N 3.21Å; E1486-Q1497 HydrophobicContact CG-CB 3.71Å; E1486-Q1497 HydrophobicContact CG-CG 3.8Å; E1486-Q1497 PolarHBondContact OE1-NE2 3.21Å; E1486-Q1497 PolarHBondContact OE2-NE2 3.24Å; E1486-N1499 HydrophobicContact CB-CB 4.11Å; E1486-N1499 HydrophobicContact CG-CB 4Å
1487	L	45.4	Very low	45.2	Very low	34.6 Å²	34.6	69 Å²	69	18%	0.181	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	107.5	175.1	-150.3	95	0	0	0	109.1	I1464 Y1468 G1470 F1485 N1489 I1496 Q1497 F1498	I1464-L1487 HydrophobicContact CD1-CD1 3.47Å; Y1468-L1487 HydrophobicContact CD1-CD1 4.23Å; Y1468-L1487 HydrophobicContact CD1-CD2 3.87Å; Y1468-L1487 HydrophobicContact CD1-CG 3.86Å; Y1468-L1487 HydrophobicContact CE1-CD2 3.91Å; Y1468-L1487 HydrophobicContact CE1-CG 4.19Å; Y1468-L1487 HydrophobicContact CG-CD1 4.39Å; G1470-L1487 VanDerWaalsContact C-CD1 3.49Å; F1485-L1487 HydrophobicContact CB-CD1 4.48Å; F1485-L1487 HydrophobicContact CD1-CB 4.22Å; F1485-L1487 HydrophobicContact CD1-CD1 3.45Å; F1485-L1487 VanDerWaalsContact CD1-CD1 3.45Å; F1485-L1487 HydrophobicContact CD1-CD2 3.14Å; F1485-L1487 HydrophobicContact CD1-CG 3.78Å; F1485-L1487 HydrophobicContact CE1-CB 4Å; F1485-L1487 HydrophobicContact CE1-CD1 4.31Å; F1485-L1487 HydrophobicContact CE1-CD2 3.27Å; F1485-L1487 HydrophobicContact CE1-CG 4.45Å; F1485-L1487 HydrophobicContact CG-CD1 3.85Å; F1485-L1487 HydrophobicContact CG-CD2 4.43Å; F1485-L1487 HydrophobicContact CZ-CB 4.29Å; F1485-L1487 HydrophobicContact CZ-CD1 3.76Å; L1487-N1489 PolarHBondContact O-N 2.85Å; L1487-I1496 HydrophobicContact CB-CB 4.42Å; L1487-I1496 HydrophobicContact CD2-CD1 4.17Å; L1487-I1496 PolarHBondContact N-O 3.03Å; L1487-I1496 PolarHBondContact O-N 3.29Å; L1487-Q1497 WeakPolarHBondContact O-CA 3.35Å; L1487-Q1497 WeakPolarHBondContact O-CG 3.26Å; L1487-Q1497 PolarHBondContact O-N 2.7Å; L1487-F1498 HydrophobicContact CB-CB 3.95Å; L1487-F1498 HydrophobicContact CB-CD1 4.46Å; L1487-F1498 HydrophobicContact CD1-CD1 4.45Å; L1487-F1498 PolarHBondContact N-O 2.92Å
1488	L	47.8	Very low	45.6	Very low	50.2 Å²	50.2	64.4 Å²	64.4	26%	0.263	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.4	177.4	-75	160.6	0	0	0	110.2	Y1468 V1469 E1486 N1490 N1495 Q1497	Y1468-L1488 WeakPolarHBondContact CA-O 3.36Å; Y1468-L1488 WeakPolarHBondContact CB-O 3.33Å; Y1468-L1488 WeakPolarHBondContact CD1-O 3.39Å; V1469-L1488 HydrophobicContact CB-CB 4.48Å; V1469-L1488 PolarHBondContact N-O 3.07Å; V1469-L1488 PolarHBondContact O-N 3.23Å; V1469-L1488 VanDerWaalsContact O-N 3.08Å; E1486-L1488 HydrophobicContact CB-CD1 4.48Å; E1486-L1488 HydrophobicContact CB-CG 4.48Å; E1486-L1488 PolarHBondContact O-N 3.21Å; L1488-N1490 WeakPolarHBondContact CB-OD1 3.35Å; L1488-N1490 WeakPolarHBondContact CD1-ND2 3.25Å; L1488-N1490 PolarHBondContact O-N 2.97Å; L1488-N1495 HydrophobicContact CD2-CB 3.63Å; L1488-N1495 VanDerWaalsContact CD2-ND2 3.34Å; L1488-N1495 WeakPolarHBondContact CD2-ND2 3.26Å; L1488-N1495 VanDerWaalsContact CD2-OD1 3.3Å; L1488-N1495 WeakPolarHBondContact CD2-OD1 3.19Å; L1488-Q1497 HydrophobicContact CD2-CG 4.04Å
1489	N	48	Very low	46.1	Very low	17.6 Å²	17.6	58.7 Å²	58.7	9%	0.094	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	96.6	170.5	-160.7	12.9	0	0	0	110.5	N1467 Y1468 L1487 Q1491 F1492 N1493 D1494	N1467-N1489 WeakPolarHBondContact CB-OD1 3.42Å; N1467-N1489 CarbonylContact O-C 3.57Å; N1467-N1489 WeakPolarHBondContact O-CA 3.48Å; N1467-N1489 PolarHBondContact O-OD1 2.99Å; Y1468-N1489 HydrophobicContact CD1-CB 3.95Å; Y1468-N1489 HydrophobicContact CE1-CB 3.61Å; Y1468-N1489 VanDerWaalsContact CE1-CG 3.43Å; Y1468-N1489 WeakPolarHBondContact CE1-ND2 3.34Å; Y1468-N1489 VanDerWaalsContact CE1-OD1 3.27Å; Y1468-N1489 WeakPolarHBondContact CE1-OD1 3.02Å; Y1468-N1489 HydrophobicContact CG-CB 4.21Å; Y1468-N1489 PolarHBondContact OH-ND2 2.89Å; L1487-N1489 PolarHBondContact O-N 2.85Å; N1489-Q1491 VanDerWaalsContact C-N 3.33Å; N1489-Q1491 CarbonylContact O-C 3.19Å; N1489-Q1491 WeakPolarHBondContact O-CA 3.47Å; N1489-Q1491 PolarHBondContact O-N 2.96Å; N1489-Q1491 VanDerWaalsContact O-N 3.15Å; N1489-Q1491 PolarHBondContact OD1-N 2.91Å; N1489-F1492 CarbonylContact C-O 3.47Å; N1489-F1492 VanDerWaalsContact C-O 3.29Å; N1489-F1492 HydrophobicContact CB-CB 4.02Å; N1489-F1492 WeakPolarHBondContact CB-O 3.35Å; N1489-F1492 WeakPolarHBondContact ND2-CB 3.14Å; N1489-F1492 VanDerWaalsContact ND2-CD2 3.29Å; N1489-F1492 WeakPolarHBondContact ND2-CD2 3.22Å; N1489-F1492 PolarHBondContact ND2-O 3.43Å; N1489-F1492 VanDerWaalsContact ND2-O 3.07Å; N1489-F1492 CarbonylContact O-C 2.82Å; N1489-F1492 PolarHBondContact O-N 2.99Å; N1489-F1492 WeakPolarHBondContact OD1-CD2 3.42Å; N1489-N1493 PolarHBondContact O-N 2.84Å; N1489-N1493 VanDerWaalsContact O-N 3.14Å; N1489-D1494 PolarHBondContact N-O 3.46Å
1490	N	49.4	Very low	46.4	Very low	96.6 Å²	96.6	55.3 Å²	55.3	52%	0.517	28%	0.28	S	S	.	.	S	Bend	trans	-73.4	-7.1	-166.6	-70.4	-2.6	0	0	0	114.9	N1467 V1469 L1488 N1493	N1467-N1490 PolarHBondContact O-N 2.87Å; V1469-N1490 WeakPolarHBondContact CG2-ND2 3.41Å; L1488-N1490 WeakPolarHBondContact CB-OD1 3.35Å; L1488-N1490 WeakPolarHBondContact CD1-ND2 3.25Å; L1488-N1490 PolarHBondContact O-N 2.97Å; N1490-N1493 WeakPolarHBondContact CB-ND2 3.24Å; N1490-N1493 PolarHBondContact O-ND2 2.97Å
1491	Q	46.7	Very low	47.2	Very low	108.4 Å²	108.4	55.2 Å²	55.2	51%	0.507	28%	0.279	S	S	.	.	S	Bend	trans	-92.2	-32.6	174.2	-76.5	-170.9	-27.8	0	0	111.6	Q1030 N1467 N1489 N1493	Q1030-Q1491 PolarHBondContact NE2-O 2.8Å; N1467-Q1491 HydrophobicContact CB-CG 4.4Å; N1467-Q1491 VanDerWaalsContact CG-CD 3.48Å; N1467-Q1491 VanDerWaalsContact CG-OE1 3.31Å; N1467-Q1491 PolarHBondContact ND2-OE1 2.72Å; N1467-Q1491 VanDerWaalsContact OD1-CD 3.27Å; N1467-Q1491 PolarHBondContact OD1-OE1 3.48Å; N1489-Q1491 VanDerWaalsContact C-N 3.33Å; N1489-Q1491 CarbonylContact O-C 3.19Å; N1489-Q1491 WeakPolarHBondContact O-CA 3.47Å; N1489-Q1491 PolarHBondContact O-N 2.96Å; N1489-Q1491 VanDerWaalsContact O-N 3.15Å; N1489-Q1491 PolarHBondContact OD1-N 2.91Å; Q1491-N1493 PolarHBondContact O-N 3.25Å
1492	F	42.5	Very low	47.4	Very low	82.6 Å²	82.6	57.9 Å²	57.9	36%	0.362	29%	0.288	S	S	.	.	S	Bend	trans	-110.1	80.8	-176.5	-64.3	-71.4	0	0	0	112.3	F1027 N1028 Q1030 N1489 D1494 Q1519	F1027-F1492 HydrophobicContact CD1-CD1 4.33Å; F1027-F1492 WeakPolarHBondContact O-CE1 3.45Å; N1028-F1492 HydrophobicContact CB-CD1 3.81Å; N1028-F1492 HydrophobicContact CB-CE1 3.76Å; N1028-F1492 WeakPolarHBondContact O-CE1 3.18Å; Q1030-F1492 VanDerWaalsContact CA-CZ 3.49Å; Q1030-F1492 HydrophobicContact CB-CD1 3.92Å; Q1030-F1492 HydrophobicContact CB-CE1 3.1Å; Q1030-F1492 HydrophobicContact CB-CE2 4.15Å; Q1030-F1492 HydrophobicContact CB-CZ 3.28Å; Q1030-F1492 HydrophobicContact CG-CD1 3.65Å; Q1030-F1492 HydrophobicContact CG-CD2 3.46Å; Q1030-F1492 VanDerWaalsContact CG-CD2 3.46Å; Q1030-F1492 HydrophobicContact CG-CE1 2.99Å; Q1030-F1492 HydrophobicContact CG-CE2 2.77Å; Q1030-F1492 HydrophobicContact CG-CG 3.89Å; Q1030-F1492 HydrophobicContact CG-CZ 2.52Å; Q1030-F1492 VanDerWaalsContact N-CZ 3.33Å; Q1030-F1492 VanDerWaalsContact OE1-CE2 3.3Å; N1489-F1492 CarbonylContact C-O 3.47Å; N1489-F1492 VanDerWaalsContact C-O 3.29Å; N1489-F1492 HydrophobicContact CB-CB 4.02Å; N1489-F1492 WeakPolarHBondContact CB-O 3.35Å; N1489-F1492 WeakPolarHBondContact ND2-CB 3.14Å; N1489-F1492 VanDerWaalsContact ND2-CD2 3.29Å; N1489-F1492 WeakPolarHBondContact ND2-CD2 3.22Å; N1489-F1492 PolarHBondContact ND2-O 3.43Å; N1489-F1492 VanDerWaalsContact ND2-O 3.07Å; N1489-F1492 CarbonylContact O-C 2.82Å; N1489-F1492 PolarHBondContact O-N 2.99Å; N1489-F1492 WeakPolarHBondContact OD1-CD2 3.42Å; F1492-D1494 HydrophobicContact CB-CB 4.38Å; F1492-D1494 PolarHBondContact O-N 2.98Å; F1492-Q1519 WeakPolarHBondContact O-CG 3.41Å; F1492-Q1519 PolarHBondContact O-NE2 3.04Å
1493	N	45.9	Very low	47.6	Very low	112.6 Å²	112.6	56.9 Å²	56.9	60%	0.602	28%	0.282	S	S	*	.			trans	-30.3	18.2	-171.4	-87.6	-26.9	0	0	0	117.5	N1489 N1490 Q1491 N1495 Q1519	N1489-N1493 PolarHBondContact O-N 2.84Å; N1489-N1493 VanDerWaalsContact O-N 3.14Å; N1490-N1493 WeakPolarHBondContact CB-ND2 3.24Å; N1490-N1493 PolarHBondContact O-ND2 2.97Å; Q1491-N1493 PolarHBondContact O-N 3.25Å; N1493-N1495 VanDerWaalsContact C-N 3.27Å; N1493-N1495 PolarHBondContact O-N 3.18Å; N1493-N1495 PolarHBondContact O-ND2 3.06Å; N1493-Q1519 HydrophobicContact CB-CG 3.94Å
1494	D	45.3	Very low	47.6	Very low	36.4 Å²	36.4	58.6 Å²	58.6	20%	0.195	29%	0.291	C	S	.	.			trans	-81.4	99.4	178.9	-74.8	-14.1	0	0	0	110.4	F1027 N1489 F1492 I1496 I1516 N1517 I1518 Q1519	F1027-D1494 VanDerWaalsContact CE1-OD1 3.26Å; F1027-D1494 WeakPolarHBondContact CE1-OD1 3.05Å; F1027-D1494 WeakPolarHBondContact CE1-OD2 3.18Å; F1027-D1494 WeakPolarHBondContact CZ-OD1 3.24Å; N1489-D1494 PolarHBondContact N-O 3.46Å; F1492-D1494 HydrophobicContact CB-CB 4.38Å; F1492-D1494 PolarHBondContact O-N 2.98Å; D1494-I1496 PolarHBondContact O-N 2.9Å; D1494-I1516 WeakPolarHBondContact OD2-CG2 3.34Å; D1494-N1517 VanDerWaalsContact CA-O 3.26Å; D1494-N1517 WeakPolarHBondContact CA-O 3.36Å; D1494-N1517 VanDerWaalsContact CB-O 3.24Å; D1494-N1517 WeakPolarHBondContact CB-O 3.31Å; D1494-N1517 WeakPolarHBondContact OD2-CA 3.36Å; D1494-N1517 PolarHBondContact OD2-N 3.44Å; D1494-I1518 WeakPolarHBondContact OD1-CA 3.39Å; D1494-I1518 WeakPolarHBondContact OD2-CA 3.31Å; D1494-I1518 PolarHBondContact OD2-N 2.72Å; D1494-Q1519 PolarHBondContact OD1-N 3.39Å
1495	N	50.7	Low	47.7	Very low	60.8 Å²	60.8	60.2 Å²	60.2	33%	0.325	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.6	-173.4	-69.5	-5.5	0	0	0	110.9	L1488 N1493 Q1497 K1515 I1516 N1517	L1488-N1495 HydrophobicContact CD2-CB 3.63Å; L1488-N1495 VanDerWaalsContact CD2-ND2 3.34Å; L1488-N1495 WeakPolarHBondContact CD2-ND2 3.26Å; L1488-N1495 VanDerWaalsContact CD2-OD1 3.3Å; L1488-N1495 WeakPolarHBondContact CD2-OD1 3.19Å; N1493-N1495 VanDerWaalsContact C-N 3.27Å; N1493-N1495 PolarHBondContact O-N 3.18Å; N1493-N1495 PolarHBondContact O-ND2 3.06Å; N1495-Q1497 HydrophobicContact CB-CG 4.14Å; N1495-Q1497 PolarHBondContact ND2-NE2 2.57Å; N1495-Q1497 PolarHBondContact ND2-OE1 3.26Å; N1495-Q1497 PolarHBondContact O-N 3.35Å; N1495-K1515 CarbonylContact C-O 3.25Å; N1495-I1516 CarbonylContact O-C 3.14Å; N1495-I1516 WeakPolarHBondContact O-CA 3.23Å; N1495-N1517 HydrophobicContact CB-CB 4.46Å; N1495-N1517 PolarHBondContact N-O 3.07Å; N1495-N1517 VanDerWaalsContact N-O 3.16Å; N1495-N1517 PolarHBondContact O-N 3.21Å; N1495-N1517 VanDerWaalsContact O-N 3.1Å
1496	I	50.4	Low	47.7	Very low	49.6 Å²	49.6	65.3 Å²	65.3	25%	0.254	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	85.2	161.5	-54.9	-178.3	0	0	0	107.2	F1056 L1487 D1494 F1498 L1514 K1515 I1516	F1056-I1496 HydrophobicContact CD2-CD1 4.42Å; F1056-I1496 HydrophobicContact CE1-CD1 4.46Å; F1056-I1496 HydrophobicContact CE2-CD1 3.38Å; F1056-I1496 HydrophobicContact CZ-CD1 3.41Å; F1056-I1496 VanDerWaalsContact CZ-CD1 3.41Å; L1487-I1496 HydrophobicContact CB-CB 4.42Å; L1487-I1496 HydrophobicContact CD2-CD1 4.17Å; L1487-I1496 PolarHBondContact N-O 3.03Å; L1487-I1496 PolarHBondContact O-N 3.29Å; D1494-I1496 PolarHBondContact O-N 2.9Å; I1496-F1498 PolarHBondContact O-N 2.86Å; I1496-L1514 HydrophobicContact CG2-CD1 4.44Å; I1496-K1515 CarbonylContact C-O 3.44Å; I1496-K1515 VanDerWaalsContact CA-C 3.44Å; I1496-K1515 WeakPolarHBondContact CA-O 3.26Å; I1496-K1515 PolarHBondContact N-O 2.91Å; I1496-K1515 CarbonylContact O-C 3.09Å; I1496-K1515 PolarHBondContact O-N 2.69Å; I1496-I1516 HydrophobicContact CB-CG1 3.73Å; I1496-I1516 HydrophobicContact CD1-CD1 3.38Å; I1496-I1516 HydrophobicContact CD1-CG1 3.53Å; I1496-I1516 HydrophobicContact CG1-CD1 4.03Å; I1496-I1516 HydrophobicContact CG1-CG1 3.55Å; I1496-I1516 HydrophobicContact CG1-CG2 4.4Å; I1496-I1516 HydrophobicContact CG2-CD1 4.08Å; I1496-I1516 HydrophobicContact CG2-CG1 3.98Å; I1496-I1516 VanDerWaalsContact CG2-CG1 3.48Å
1497	Q	50.8	Low	47.8	Very low	64 Å²	64	67 Å²	67	30%	0.299	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.3	174.3	-71.7	-178.8	-25.7	0	0	110.6	E1486 L1487 L1488 N1495 I1513 L1514 K1515	E1486-Q1497 HydrophobicContact CG-CB 3.71Å; E1486-Q1497 HydrophobicContact CG-CG 3.8Å; E1486-Q1497 PolarHBondContact OE1-NE2 3.21Å; E1486-Q1497 PolarHBondContact OE2-NE2 3.24Å; L1487-Q1497 WeakPolarHBondContact O-CA 3.35Å; L1487-Q1497 WeakPolarHBondContact O-CG 3.26Å; L1487-Q1497 PolarHBondContact O-N 2.7Å; L1488-Q1497 HydrophobicContact CD2-CG 4.04Å; N1495-Q1497 HydrophobicContact CB-CG 4.14Å; N1495-Q1497 PolarHBondContact ND2-NE2 2.57Å; N1495-Q1497 PolarHBondContact ND2-OE1 3.26Å; N1495-Q1497 PolarHBondContact O-N 3.35Å; Q1497-I1513 VanDerWaalsContact O-O 3.09Å; Q1497-L1514 WeakPolarHBondContact O-CA 3.48Å; Q1497-K1515 HydrophobicContact CB-CB 4.35Å; Q1497-K1515 PolarHBondContact N-O 3.16Å; Q1497-K1515 PolarHBondContact O-N 3.15Å; Q1497-K1515 VanDerWaalsContact O-N 3.13Å
1498	F	47.7	Very low	48	Very low	52.6 Å²	52.6	67 Å²	67	23%	0.231	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	96.3	170.9	-175.5	-110.4	0	0	0	108.4	I1483 F1485 L1487 I1496 I1500 I1512 I1513 L1514	I1483-F1498 HydrophobicContact CD1-CD1 3.9Å; I1483-F1498 HydrophobicContact CD1-CE1 3.36Å; I1483-F1498 HydrophobicContact CD1-CZ 3.98Å; I1483-F1498 HydrophobicContact CG1-CD1 3.87Å; I1483-F1498 HydrophobicContact CG1-CE1 3.76Å; I1483-F1498 HydrophobicContact CG2-CD1 3.67Å; I1483-F1498 HydrophobicContact CG2-CE1 4.37Å; I1483-F1498 HydrophobicContact CG2-CG 4.33Å; I1483-F1498 WeakPolarHBondContact CG2-O 3.3Å; F1485-F1498 CarbonylContact C-O 3.39Å; F1485-F1498 WeakPolarHBondContact CA-O 3.46Å; F1485-F1498 HydrophobicContact CB-CB 4.15Å; F1485-F1498 HydrophobicContact CB-CD1 4.19Å; F1485-F1498 WeakPolarHBondContact CB-O 3.34Å; F1485-F1498 HydrophobicContact CD1-CB 4.09Å; F1485-F1498 HydrophobicContact CD1-CD1 4.04Å; F1485-F1498 HydrophobicContact CD1-CG 4.46Å; F1485-F1498 HydrophobicContact CG-CB 4.31Å; F1485-F1498 HydrophobicContact CG-CD1 4.4Å; F1485-F1498 PolarHBondContact N-O 2.95Å; F1485-F1498 CarbonylContact O-C 3.56Å; F1485-F1498 VanDerWaalsContact O-CA 3.32Å; F1485-F1498 WeakPolarHBondContact O-CA 3.23Å; F1485-F1498 VanDerWaalsContact O-CB 3.25Å; F1485-F1498 WeakPolarHBondContact O-CB 3.45Å; F1485-F1498 PolarHBondContact O-N 2.78Å; F1485-F1498 VanDerWaalsContact O-N 3.09Å; F1485-F1498 VanDerWaalsContact O-O 3.07Å; L1487-F1498 HydrophobicContact CB-CB 3.95Å; L1487-F1498 HydrophobicContact CB-CD1 4.46Å; L1487-F1498 HydrophobicContact CD1-CD1 4.45Å; L1487-F1498 PolarHBondContact N-O 2.92Å; I1496-F1498 PolarHBondContact O-N 2.86Å; F1498-I1500 HydrophobicContact CB-CD1 4.08Å; F1498-I1500 HydrophobicContact CD1-CD1 4.24Å; F1498-I1500 VanDerWaalsContact CD1-CD1 3.48Å; F1498-I1500 HydrophobicContact CD1-CG1 4.19Å; F1498-I1500 HydrophobicContact CD2-CD1 3.45Å; F1498-I1500 VanDerWaalsContact CD2-CD1 3.45Å; F1498-I1500 HydrophobicContact CE1-CD1 3.48Å; F1498-I1500 HydrophobicContact CE1-CG1 3.47Å; F1498-I1500 VanDerWaalsContact CE1-CG1 3.42Å; F1498-I1500 HydrophobicContact CE2-CD1 3.87Å; F1498-I1500 HydrophobicContact CE2-CG1 4.39Å; F1498-I1500 HydrophobicContact CG-CD1 3.32Å; F1498-I1500 HydrophobicContact CZ-CD1 3.66Å; F1498-I1500 VanDerWaalsContact CZ-CD1 3.47Å; F1498-I1500 HydrophobicContact CZ-CG1 3.59Å; F1498-I1500 VanDerWaalsContact CZ-CG1 3.49Å; F1498-I1512 HydrophobicContact CD2-CD1 4.01Å; F1498-I1512 HydrophobicContact CD2-CG2 4.24Å; F1498-I1512 HydrophobicContact CE2-CD1 3.43Å; F1498-I1512 VanDerWaalsContact CE2-CD1 3.43Å; F1498-I1512 HydrophobicContact CE2-CG2 3.65Å; F1498-I1512 HydrophobicContact CZ-CD1 3.8Å; F1498-I1512 HydrophobicContact CZ-CG2 4.16Å; F1498-I1513 CarbonylContact C-O 3.41Å; F1498-I1513 WeakPolarHBondContact CA-O 3.36Å; F1498-L1514 HydrophobicContact CB-CD1 4.33Å; F1498-L1514 HydrophobicContact CD2-CB 4.17Å; F1498-L1514 HydrophobicContact CD2-CD1 3.92Å; F1498-L1514 HydrophobicContact CD2-CD2 4.05Å; F1498-L1514 HydrophobicContact CD2-CG 3.98Å; F1498-L1514 HydrophobicContact CE2-CB 4.44Å; F1498-L1514 HydrophobicContact CE2-CD1 4.17Å; F1498-L1514 HydrophobicContact CE2-CD2 4.26Å; F1498-L1514 HydrophobicContact CE2-CG 4.27Å; F1498-L1514 HydrophobicContact CG-CD1 4.3Å
1499	N	52.5	Low	48.1	Very low	37.6 Å²	37.6	66.1 Å²	66.1	20%	0.201	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.8	178.4	-135	22.2	0	0	0	110.3	I1483 L1484 F1485 E1486 N1501 I1513	I1483-N1499 PolarHBondContact O-OD1 3Å; I1483-N1499 VanDerWaalsContact O-OD1 3.1Å; L1484-N1499 WeakPolarHBondContact CA-OD1 3.24Å; L1484-N1499 VanDerWaalsContact CB-OD1 3.3Å; L1484-N1499 WeakPolarHBondContact CB-OD1 3.27Å; L1484-N1499 HydrophobicContact CD1-CB 4.49Å; L1484-N1499 WeakPolarHBondContact CD1-OD1 3.01Å; L1484-N1499 VanDerWaalsContact CD2-OD1 3.25Å; L1484-N1499 WeakPolarHBondContact CD2-OD1 3.5Å; L1484-N1499 HydrophobicContact CG-CB 4.19Å; L1484-N1499 VanDerWaalsContact CG-OD1 3.26Å; L1484-N1499 WeakPolarHBondContact CG-OD1 3.28Å; F1485-N1499 WeakPolarHBondContact O-CA 3.48Å; E1486-N1499 HydrophobicContact CB-CB 4.11Å; E1486-N1499 HydrophobicContact CG-CB 4Å; N1499-N1501 PolarHBondContact ND2-OD1 2.84Å; N1499-N1501 PolarHBondContact OD1-OD1 3.02Å; N1499-N1501 VanDerWaalsContact OD1-OD1 3.12Å; N1499-I1513 HydrophobicContact CB-CB 4.41Å; N1499-I1513 PolarHBondContact N-O 3.13Å; N1499-I1513 VanDerWaalsContact N-O 3.08Å; N1499-I1513 CarbonylContact O-C 3Å; N1499-I1513 VanDerWaalsContact O-CA 3.25Å; N1499-I1513 WeakPolarHBondContact O-CA 3.13Å; N1499-I1513 WeakPolarHBondContact O-CB 3.48Å; N1499-I1513 PolarHBondContact O-N 2.85Å; N1499-I1513 VanDerWaalsContact O-O 3.09Å
1500	I	48.8	Very low	48.3	Very low	28.4 Å²	28.4	66.8 Å²	66.8	15%	0.146	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	102.4	176.7	-52.9	178.1	0	0	0	108	D1482 I1483 F1485 F1498 Y1502 I1510 N1511 I1512 I1513 K2148 L2149	D1482-I1500 CarbonylContact C-O 3.38Å; I1483-I1500 CarbonylContact C-O 3.54Å; I1483-I1500 WeakPolarHBondContact CA-O 3.13Å; I1483-I1500 HydrophobicContact CB-CB 4.07Å; I1483-I1500 HydrophobicContact CB-CD1 3.89Å; I1483-I1500 HydrophobicContact CB-CG1 3.83Å; I1483-I1500 HydrophobicContact CB-CG2 3.5Å; I1483-I1500 HydrophobicContact CD1-CB 4.42Å; I1483-I1500 HydrophobicContact CD1-CD1 3.65Å; I1483-I1500 HydrophobicContact CD1-CG1 4.44Å; I1483-I1500 HydrophobicContact CD1-CG2 3.84Å; I1483-I1500 HydrophobicContact CG1-CB 4.36Å; I1483-I1500 HydrophobicContact CG1-CD1 4.02Å; I1483-I1500 HydrophobicContact CG1-CG2 4.17Å; I1483-I1500 HydrophobicContact CG2-CB 3.45Å; I1483-I1500 VanDerWaalsContact CG2-CB 3.45Å; I1483-I1500 HydrophobicContact CG2-CD1 3.38Å; I1483-I1500 HydrophobicContact CG2-CG1 3.4Å; I1483-I1500 HydrophobicContact CG2-CG2 4.13Å; I1483-I1500 PolarHBondContact N-O 2.9Å; I1483-I1500 CarbonylContact O-C 3.51Å; I1483-I1500 WeakPolarHBondContact O-CA 3.35Å; I1483-I1500 WeakPolarHBondContact O-CB 3.34Å; I1483-I1500 PolarHBondContact O-N 2.95Å; I1483-I1500 VanDerWaalsContact O-N 3.11Å; F1485-I1500 HydrophobicContact CB-CB 4.03Å; F1485-I1500 HydrophobicContact CB-CG1 4.5Å; F1485-I1500 HydrophobicContact CD2-CB 3.8Å; F1485-I1500 HydrophobicContact CD2-CG2 4.16Å; F1485-I1500 HydrophobicContact CG-CB 4.21Å; F1485-I1500 PolarHBondContact N-O 3.02Å; F1485-I1500 VanDerWaalsContact N-O 3.1Å; F1498-I1500 HydrophobicContact CB-CD1 4.08Å; F1498-I1500 HydrophobicContact CD1-CD1 4.24Å; F1498-I1500 VanDerWaalsContact CD1-CD1 3.48Å; F1498-I1500 HydrophobicContact CD1-CG1 4.19Å; F1498-I1500 HydrophobicContact CD2-CD1 3.45Å; F1498-I1500 VanDerWaalsContact CD2-CD1 3.45Å; F1498-I1500 HydrophobicContact CE1-CD1 3.48Å; F1498-I1500 HydrophobicContact CE1-CG1 3.47Å; F1498-I1500 VanDerWaalsContact CE1-CG1 3.42Å; F1498-I1500 HydrophobicContact CE2-CD1 3.87Å; F1498-I1500 HydrophobicContact CE2-CG1 4.39Å; F1498-I1500 HydrophobicContact CG-CD1 3.32Å; F1498-I1500 HydrophobicContact CZ-CD1 3.66Å; F1498-I1500 VanDerWaalsContact CZ-CD1 3.47Å; F1498-I1500 HydrophobicContact CZ-CG1 3.59Å; F1498-I1500 VanDerWaalsContact CZ-CG1 3.49Å; I1500-Y1502 HydrophobicContact CG2-CD2 3.99Å; I1500-Y1502 PolarHBondContact O-N 2.93Å; I1500-I1510 HydrophobicContact CG2-CG2 3.99Å; I1500-N1511 CarbonylContact C-O 3.52Å; I1500-N1511 WeakPolarHBondContact CA-O 3.4Å; I1500-N1511 VanDerWaalsContact CB-O 3.26Å; I1500-N1511 WeakPolarHBondContact CB-O 3.15Å; I1500-N1511 WeakPolarHBondContact CG2-O 3.42Å; I1500-I1512 HydrophobicContact CB-CB 4.32Å; I1500-I1512 HydrophobicContact CB-CG1 4.21Å; I1500-I1512 HydrophobicContact CD1-CB 3.76Å; I1500-I1512 HydrophobicContact CD1-CD1 3.17Å; I1500-I1512 HydrophobicContact CD1-CG1 3.18Å; I1500-I1512 HydrophobicContact CD1-CG2 3.78Å; I1500-I1512 HydrophobicContact CG1-CB 3.81Å; I1500-I1512 HydrophobicContact CG1-CD1 4.23Å; I1500-I1512 HydrophobicContact CG1-CG1 4.2Å; I1500-I1512 HydrophobicContact CG1-CG2 4.22Å; I1500-I1512 VanDerWaalsContact CG2-CA 3.42Å; I1500-I1512 HydrophobicContact CG2-CB 3.95Å; I1500-I1512 HydrophobicContact CG2-CG1 4.13Å; I1500-I1513 WeakPolarHBondContact CG1-O 3.46Å; I1500-K2148 HydrophobicContact CG2-CB 4.28Å; I1500-K2148 WeakPolarHBondContact CG2-O 3.34Å; I1500-L2149 VanDerWaalsContact CG2-CA 3.49Å
1501	N	53	Low	48.5	Very low	61 Å²	61	64.5 Å²	64.5	33%	0.326	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.7	172.2	-71.3	35.4	0	0	0	109.8	D1482 N1499 N1511	D1482-N1501 HydrophobicContact CB-CB 4.48Å; D1482-N1501 VanDerWaalsContact CG-ND2 3.3Å; D1482-N1501 VanDerWaalsContact CG-OD1 3.3Å; D1482-N1501 WeakPolarHBondContact OD1-CA 3.18Å; D1482-N1501 VanDerWaalsContact OD1-CB 3.28Å; D1482-N1501 WeakPolarHBondContact OD1-CB 3.42Å; D1482-N1501 PolarHBondContact OD1-ND2 2.91Å; D1482-N1501 VanDerWaalsContact OD1-ND2 3.1Å; D1482-N1501 PolarHBondContact OD1-OD1 3.27Å; D1482-N1501 PolarHBondContact OD2-ND2 3.02Å; N1499-N1501 PolarHBondContact ND2-OD1 2.84Å; N1499-N1501 PolarHBondContact OD1-OD1 3.02Å; N1499-N1501 VanDerWaalsContact OD1-OD1 3.12Å; N1501-N1511 HydrophobicContact CB-CB 4.3Å; N1501-N1511 PolarHBondContact N-O 3.26Å; N1501-N1511 WeakPolarHBondContact O-CA 3.3Å; N1501-N1511 WeakPolarHBondContact O-CB 3.14Å; N1501-N1511 PolarHBondContact O-N 3.07Å; N1501-N1511 PolarHBondContact O-ND2 2.76Å
1502	Y	45.8	Very low	48.9	Very low	64.8 Å²	64.8	61 Å²	61	25%	0.254	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.2	174.6	128.1	-113.8	0	0	0	112.4	L1474 L1476 G1481 D1482 I1483 I1500 L1504 I1509 I1510 K2148 L2149	L1474-Y1502 HydrophobicContact CD2-CE1 4.17Å; L1474-Y1502 HydrophobicContact CD2-CE2 4.35Å; L1476-Y1502 WeakPolarHBondContact CD1-OH 3.47Å; L1476-Y1502 HydrophobicContact CD2-CE2 3.86Å; L1476-Y1502 WeakPolarHBondContact CD2-OH 3.22Å; L1476-Y1502 HydrophobicContact CG-CE2 4.43Å; L1476-Y1502 VanDerWaalsContact CG-OH 3.32Å; L1476-Y1502 WeakPolarHBondContact CG-OH 3.17Å; G1481-Y1502 CarbonylContact C-O 3.45Å; G1481-Y1502 WeakPolarHBondContact CA-O 3.33Å; G1481-Y1502 PolarHBondContact N-O 3.01Å; G1481-Y1502 VanDerWaalsContact N-O 3.08Å; G1481-Y1502 CarbonylContact O-C 3.44Å; G1481-Y1502 WeakPolarHBondContact O-CD1 3.22Å; G1481-Y1502 WeakPolarHBondContact O-CD2 3.34Å; G1481-Y1502 WeakPolarHBondContact O-CE1 3.19Å; G1481-Y1502 WeakPolarHBondContact O-CE2 3.5Å; G1481-Y1502 PolarHBondContact O-N 3.01Å; G1481-Y1502 VanDerWaalsContact O-O 3.09Å; D1482-Y1502 PolarHBondContact OD1-N 2.91Å; D1482-Y1502 VanDerWaalsContact OD1-N 3.16Å; I1483-Y1502 HydrophobicContact CD1-CD1 3.75Å; I1483-Y1502 HydrophobicContact CD1-CE1 3.8Å; I1483-Y1502 HydrophobicContact CG1-CD1 3.83Å; I1483-Y1502 HydrophobicContact CG1-CE1 3.85Å; I1483-Y1502 PolarHBondContact N-O 2.84Å; I1483-Y1502 PolarHBondContact O-N 2.85Å; I1500-Y1502 HydrophobicContact CG2-CD2 3.99Å; I1500-Y1502 PolarHBondContact O-N 2.93Å; Y1502-L1504 HydrophobicContact CD1-CD1 4.18Å; Y1502-L1504 HydrophobicContact CD1-CG 3.91Å; Y1502-L1504 HydrophobicContact CD2-CD1 4.06Å; Y1502-L1504 HydrophobicContact CD2-CD2 4.38Å; Y1502-L1504 HydrophobicContact CD2-CG 4.16Å; Y1502-L1504 HydrophobicContact CE1-CD1 3.71Å; Y1502-L1504 HydrophobicContact CE1-CD2 3.53Å; Y1502-L1504 HydrophobicContact CE1-CG 3.32Å; Y1502-L1504 HydrophobicContact CE2-CD1 3.92Å; Y1502-L1504 HydrophobicContact CE2-CD2 4.13Å; Y1502-L1504 HydrophobicContact CE2-CG 3.73Å; Y1502-I1509 CarbonylContact C-O 3.52Å; Y1502-I1509 VanDerWaalsContact CA-O 3.29Å; Y1502-I1509 WeakPolarHBondContact CA-O 3.29Å; Y1502-I1509 WeakPolarHBondContact CB-O 3.16Å; Y1502-I1509 WeakPolarHBondContact CD1-O 3.48Å; Y1502-I1510 HydrophobicContact CD1-CB 3.65Å; Y1502-I1510 HydrophobicContact CD1-CG1 4.22Å; Y1502-I1510 HydrophobicContact CD1-CG2 3.06Å; Y1502-I1510 HydrophobicContact CD2-CD1 3.67Å; Y1502-I1510 HydrophobicContact CD2-CG1 3.99Å; Y1502-I1510 HydrophobicContact CD2-CG2 4.36Å; Y1502-I1510 HydrophobicContact CE1-CD1 4.38Å; Y1502-I1510 HydrophobicContact CE1-CG1 4.05Å; Y1502-I1510 HydrophobicContact CE1-CG2 3.46Å; Y1502-I1510 VanDerWaalsContact CE1-CG2 3.46Å; Y1502-I1510 HydrophobicContact CE2-CB 4.31Å; Y1502-I1510 HydrophobicContact CE2-CD1 3.67Å; Y1502-I1510 HydrophobicContact CE2-CG1 3.66Å; Y1502-I1510 HydrophobicContact CE2-CG2 3.93Å; Y1502-I1510 VanDerWaalsContact CZ-CD1 3.49Å; Y1502-I1510 VanDerWaalsContact CZ-CG1 3.5Å; Y1502-I1510 WeakPolarHBondContact OH-CD1 3.19Å; Y1502-K2148 WeakPolarHBondContact CB-O 3.42Å; Y1502-L2149 HydrophobicContact CD1-CB 2.59Å; Y1502-L2149 HydrophobicContact CD1-CD1 2.29Å; Y1502-L2149 HydrophobicContact CD1-CD2 3.65Å; Y1502-L2149 HydrophobicContact CD1-CG 2.3Å; Y1502-L2149 HydrophobicContact CD2-CB 3.49Å; Y1502-L2149 VanDerWaalsContact CD2-CB 3.49Å; Y1502-L2149 HydrophobicContact CD2-CD1 2.3Å; Y1502-L2149 HydrophobicContact CD2-CD2 3.58Å; Y1502-L2149 HydrophobicContact CD2-CG 2.33Å; Y1502-L2149 HydrophobicContact CE1-CB 3.18Å; Y1502-L2149 HydrophobicContact CE1-CD1 2.3Å; Y1502-L2149 HydrophobicContact CE1-CD2 2.98Å; Y1502-L2149 HydrophobicContact CE1-CG 2.3Å; Y1502-L2149 HydrophobicContact CE2-CB 3.95Å; Y1502-L2149 HydrophobicContact CE2-CD1 2.3Å; Y1502-L2149 HydrophobicContact CE2-CD2 2.89Å; Y1502-L2149 HydrophobicContact CE2-CG 2.32Å; Y1502-L2149 HydrophobicContact CG-CB 2.78Å; Y1502-L2149 HydrophobicContact CG-CD1 2.31Å; Y1502-L2149 HydrophobicContact CG-CD2 3.91Å; Y1502-L2149 HydrophobicContact CG-CG 2.32Å; Y1502-L2149 WeakPolarHBondContact OH-CD1 3.11Å; Y1502-L2149 WeakPolarHBondContact OH-CD2 3.18Å; Y1502-L2149 WeakPolarHBondContact OH-CG 3.3Å
1503	D	48.9	Very low	49.5	Very low	41 Å²	41	59.6 Å²	59.6	22%	0.219	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	109.1	-178.6	-164.2	-0.1	0	0	0	109.3	N1480 N1505 Y1506 S1508 I1509	N1480-D1503 HydrophobicContact CB-CB 4.43Å; N1480-D1503 WeakPolarHBondContact CB-OD1 3.34Å; N1480-D1503 VanDerWaalsContact CG-CG 3.49Å; N1480-D1503 VanDerWaalsContact CG-OD2 3.24Å; N1480-D1503 VanDerWaalsContact ND2-CG 3.27Å; N1480-D1503 PolarHBondContact ND2-OD1 3.19Å; N1480-D1503 PolarHBondContact ND2-OD2 3.11Å; N1480-D1503 WeakPolarHBondContact OD1-CA 3.27Å; N1480-D1503 WeakPolarHBondContact OD1-CB 3.23Å; N1480-D1503 PolarHBondContact OD1-OD1 3.07Å; N1480-D1503 PolarHBondContact OD1-OD2 3.36Å; D1503-N1505 VanDerWaalsContact C-N 3.29Å; D1503-N1505 PolarHBondContact O-N 3.05Å; D1503-N1505 VanDerWaalsContact O-N 3.16Å; D1503-N1505 WeakPolarHBondContact OD1-CA 3.42Å; D1503-N1505 WeakPolarHBondContact OD1-CB 3.46Å; D1503-N1505 PolarHBondContact OD1-N 3.13Å; D1503-N1505 PolarHBondContact OD1-ND2 2.78Å; D1503-Y1506 PolarHBondContact O-N 3.08Å; D1503-Y1506 VanDerWaalsContact O-O 3.12Å; D1503-Y1506 PolarHBondContact OD1-N 2.79Å; D1503-Y1506 VanDerWaalsContact OD2-CD2 3.28Å; D1503-Y1506 WeakPolarHBondContact OD2-CD2 3.32Å; D1503-S1508 CarbonylContact O-C 3.54Å; D1503-S1508 WeakPolarHBondContact O-CA 3.16Å; D1503-S1508 PolarHBondContact O-N 3.47Å; D1503-I1509 HydrophobicContact CB-CB 4.01Å; D1503-I1509 HydrophobicContact CB-CD1 3.87Å; D1503-I1509 HydrophobicContact CB-CG1 3.91Å; D1503-I1509 HydrophobicContact CB-CG2 3.98Å; D1503-I1509 PolarHBondContact N-O 2.92Å; D1503-I1509 VanDerWaalsContact N-O 3.1Å; D1503-I1509 WeakPolarHBondContact O-CA 3.24Å; D1503-I1509 VanDerWaalsContact O-CB 3.28Å; D1503-I1509 WeakPolarHBondContact O-CB 3.1Å; D1503-I1509 PolarHBondContact O-N 2.92Å; D1503-I1509 WeakPolarHBondContact OD2-CD1 3.43Å
1504	L	45.2	Very low	49.8	Very low	77.4 Å²	77.4	56.1 Å²	56.1	41%	0.405	28%	0.276	S	S	.	.			trans	-87.9	-5.6	-179.7	-66.2	161.2	0	0	0	113.1	I1455 L1479 N1480 I1483 Y1502 Y1506 K1507 S1508 L2149	I1455-L1504 HydrophobicContact CG2-CD1 3.99Å; L1479-L1504 HydrophobicContact CB-CB 4.08Å; L1479-L1504 HydrophobicContact CB-CD1 4.4Å; L1479-L1504 HydrophobicContact CD2-CB 4.01Å; L1479-L1504 HydrophobicContact CD2-CD1 3.79Å; L1479-L1504 HydrophobicContact CD2-CG 4.31Å; L1479-L1504 WeakPolarHBondContact CD2-O 3.04Å; L1479-L1504 HydrophobicContact CG-CB 4.06Å; L1479-L1504 WeakPolarHBondContact O-CA 3.43Å; L1479-L1504 VanDerWaalsContact O-CB 3.27Å; L1479-L1504 WeakPolarHBondContact O-CB 3.14Å; L1479-L1504 WeakPolarHBondContact O-CD1 3.39Å; L1479-L1504 WeakPolarHBondContact O-CG 3.35Å; L1479-L1504 PolarHBondContact O-N 3.07Å; L1479-L1504 VanDerWaalsContact O-N 3.15Å; N1480-L1504 PolarHBondContact OD1-N 3.19Å; I1483-L1504 HydrophobicContact CD1-CD1 4.08Å; Y1502-L1504 HydrophobicContact CD1-CD1 4.18Å; Y1502-L1504 HydrophobicContact CD1-CG 3.91Å; Y1502-L1504 HydrophobicContact CD2-CD1 4.06Å; Y1502-L1504 HydrophobicContact CD2-CD2 4.38Å; Y1502-L1504 HydrophobicContact CD2-CG 4.16Å; Y1502-L1504 HydrophobicContact CE1-CD1 3.71Å; Y1502-L1504 HydrophobicContact CE1-CD2 3.53Å; Y1502-L1504 HydrophobicContact CE1-CG 3.32Å; Y1502-L1504 HydrophobicContact CE2-CD1 3.92Å; Y1502-L1504 HydrophobicContact CE2-CD2 4.13Å; Y1502-L1504 HydrophobicContact CE2-CG 3.73Å; L1504-Y1506 VanDerWaalsContact C-N 3.27Å; L1504-Y1506 CarbonylContact O-C 3.05Å; L1504-Y1506 PolarHBondContact O-N 2.98Å; L1504-K1507 CarbonylContact O-C 3.29Å; L1504-K1507 WeakPolarHBondContact O-CA 3.22Å; L1504-K1507 PolarHBondContact O-N 3.24Å; L1504-S1508 PolarHBondContact O-N 2.82Å; L1504-L2149 HydrophobicContact CD2-CD1 3.51Å; L1504-L2149 HydrophobicContact CG-CD1 3.57Å
1505	N	46.9	Very low	50.3	Low	84.2 Å²	84.2	58.2 Å²	58.2	45%	0.45	28%	0.283	S	S	.	.	S	Bend	trans	-71.6	4.1	-178.4	-87	-26.8	0	0	0	110.9	K1478 L1479 N1480 D1503 K1507	K1478-N1505 WeakPolarHBondContact O-CB 3.36Å; K1478-N1505 PolarHBondContact O-ND2 3.39Å; L1479-N1505 VanDerWaalsContact CB-CA 3.42Å; L1479-N1505 HydrophobicContact CB-CB 3.93Å; L1479-N1505 VanDerWaalsContact CB-N 3.29Å; L1479-N1505 WeakPolarHBondContact CB-OD1 3.17Å; L1479-N1505 PolarHBondContact O-N 2.83Å; N1480-N1505 WeakPolarHBondContact CB-ND2 3.4Å; N1480-N1505 VanDerWaalsContact CG-CG 3.46Å; N1480-N1505 PolarHBondContact ND2-ND2 2.8Å; N1480-N1505 WeakPolarHBondContact OD1-CA 3.27Å; N1480-N1505 WeakPolarHBondContact OD1-CB 3.25Å; N1480-N1505 PolarHBondContact OD1-N 2.93Å; N1480-N1505 PolarHBondContact OD1-ND2 2.83Å; D1503-N1505 VanDerWaalsContact C-N 3.29Å; D1503-N1505 PolarHBondContact O-N 3.05Å; D1503-N1505 VanDerWaalsContact O-N 3.16Å; D1503-N1505 WeakPolarHBondContact OD1-CA 3.42Å; D1503-N1505 WeakPolarHBondContact OD1-CB 3.46Å; D1503-N1505 PolarHBondContact OD1-N 3.13Å; D1503-N1505 PolarHBondContact OD1-ND2 2.78Å; N1505-K1507 VanDerWaalsContact C-N 3.32Å; N1505-K1507 PolarHBondContact O-N 3.13Å
1506	Y	43.4	Very low	50.4	Low	156.8 Å²	156.8	57.7 Å²	57.7	62%	0.615	28%	0.28	S	S	*	.	S	Bend	trans	-55.8	50.4	170.6	-64.2	-83.4	0	0	0	112.1	D1503 L1504 S1508 I1509 I1533	D1503-Y1506 PolarHBondContact O-N 3.08Å; D1503-Y1506 VanDerWaalsContact O-O 3.12Å; D1503-Y1506 PolarHBondContact OD1-N 2.79Å; D1503-Y1506 VanDerWaalsContact OD2-CD2 3.28Å; D1503-Y1506 WeakPolarHBondContact OD2-CD2 3.32Å; L1504-Y1506 VanDerWaalsContact C-N 3.27Å; L1504-Y1506 CarbonylContact O-C 3.05Å; L1504-Y1506 PolarHBondContact O-N 2.98Å; Y1506-S1508 VanDerWaalsContact C-N 3.26Å; Y1506-S1508 CarbonylContact O-C 3.48Å; Y1506-S1508 WeakPolarHBondContact O-CA 3.42Å; Y1506-S1508 PolarHBondContact O-N 3.17Å; Y1506-I1509 HydrophobicContact CD2-CD1 4.15Å; Y1506-I1509 HydrophobicContact CG-CD1 4.08Å; Y1506-I1509 PolarHBondContact O-N 2.74Å; Y1506-I1509 VanDerWaalsContact O-N 3.13Å; Y1506-I1533 HydrophobicContact CD1-CD1 3.82Å; Y1506-I1533 HydrophobicContact CD1-CG2 4.01Å; Y1506-I1533 HydrophobicContact CG-CD1 3.88Å; Y1506-I1533 HydrophobicContact CG-CG1 4.41Å; Y1506-I1533 VanDerWaalsContact O-CA 3.25Å; Y1506-I1533 WeakPolarHBondContact O-CA 3.31Å
1507	K	47.7	Very low	50.5	Low	90.6 Å²	90.6	57.9 Å²	57.9	39%	0.394	28%	0.282	S	S	.	.	S	Bend	trans	-38.4	14.5	-178.5	-68.2	-173.4	174.5	146.3	0	114.8	L1442 E1452 L1504 N1505 I1509 S1532 I1533 N1534 H1535	L1442-K1507 HydrophobicContact CB-CD 4.41Å; E1452-K1507 VanDerWaalsContact OE1-CE 3.28Å; E1452-K1507 WeakPolarHBondContact OE1-CE 3.29Å; E1452-K1507 IonicContact OE1-NZ 3.64Å; E1452-K1507 PolarHBondContact OE1-NZ 2.86Å; L1504-K1507 CarbonylContact O-C 3.29Å; L1504-K1507 WeakPolarHBondContact O-CA 3.22Å; L1504-K1507 PolarHBondContact O-N 3.24Å; N1505-K1507 VanDerWaalsContact C-N 3.32Å; N1505-K1507 PolarHBondContact O-N 3.13Å; K1507-I1509 VanDerWaalsContact C-N 3.34Å; K1507-I1509 HydrophobicContact CB-CD1 4.13Å; K1507-I1509 HydrophobicContact CB-CG1 4.07Å; K1507-I1509 PolarHBondContact O-N 2.74Å; K1507-S1532 CarbonylContact C-O 3.52Å; K1507-S1532 WeakPolarHBondContact CB-O 3.36Å; K1507-I1533 HydrophobicContact CB-CD1 3.84Å; K1507-I1533 HydrophobicContact CB-CG1 4.07Å; K1507-I1533 HydrophobicContact CD-CD1 3.91Å; K1507-I1533 VanDerWaalsContact CD-CD1 3.41Å; K1507-I1533 HydrophobicContact CD-CG1 4.17Å; K1507-I1533 HydrophobicContact CD-CG2 4.49Å; K1507-I1533 HydrophobicContact CG-CB 4.43Å; K1507-I1533 HydrophobicContact CG-CD1 3.54Å; K1507-I1533 HydrophobicContact CG-CG1 3.86Å; K1507-I1533 HydrophobicContact CG-CG2 4.09Å; K1507-N1534 WeakPolarHBondContact CD-OD1 3.31Å; K1507-N1534 WeakPolarHBondContact CE-OD1 3.42Å; K1507-N1534 WeakPolarHBondContact CG-OD1 3.31Å; K1507-N1534 PolarHBondContact NZ-OD1 3.35Å; K1507-H1535 PolarHBondContact NZ-NE2 3.5Å
1508	S	50.4	Low	50.4	Low	34.2 Å²	34.2	57.2 Å²	57.2	24%	0.239	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	83.2	171.9	9.3	0	0	0	0	109.2	D1503 L1504 Y1506 I1510 K1531 S1532	D1503-S1508 CarbonylContact O-C 3.54Å; D1503-S1508 WeakPolarHBondContact O-CA 3.16Å; D1503-S1508 PolarHBondContact O-N 3.47Å; L1504-S1508 PolarHBondContact O-N 2.82Å; Y1506-S1508 VanDerWaalsContact C-N 3.26Å; Y1506-S1508 CarbonylContact O-C 3.48Å; Y1506-S1508 WeakPolarHBondContact O-CA 3.42Å; Y1506-S1508 PolarHBondContact O-N 3.17Å; S1508-I1510 WeakPolarHBondContact O-CD1 3.44Å; S1508-I1510 WeakPolarHBondContact O-CG1 3.34Å; S1508-I1510 PolarHBondContact O-N 2.61Å; S1508-K1531 CarbonylContact O-C 3.47Å; S1508-K1531 VanDerWaalsContact O-CA 3.3Å; S1508-K1531 WeakPolarHBondContact O-CA 3.3Å; S1508-S1532 CarbonylContact C-O 3.44Å; S1508-S1532 VanDerWaalsContact CA-O 3.29Å; S1508-S1532 WeakPolarHBondContact CA-O 3.33Å; S1508-S1532 PolarHBondContact N-O 2.96Å; S1508-S1532 VanDerWaalsContact N-O 3.1Å; S1508-S1532 CarbonylContact O-C 3.55Å; S1508-S1532 WeakPolarHBondContact O-CA 3.35Å; S1508-S1532 VanDerWaalsContact O-CB 3.26Å; S1508-S1532 WeakPolarHBondContact O-CB 3.32Å; S1508-S1532 PolarHBondContact O-N 2.88Å; S1508-S1532 VanDerWaalsContact OG-CB 3.24Å; S1508-S1532 WeakPolarHBondContact OG-CB 3.41Å; S1508-S1532 PolarHBondContact OG-O 2.84Å; S1508-S1532 PolarHBondContact OG-OG 2.83Å
1509	I	49.9	Very low	50.5	Low	30.6 Å²	30.6	59.2 Å²	59.2	16%	0.157	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.3	167.6	-57.1	-179.9	0	0	0	107.4	Y1502 D1503 Y1506 K1507 N1511 W1530 K1531 I1533 L2149	Y1502-I1509 CarbonylContact C-O 3.52Å; Y1502-I1509 VanDerWaalsContact CA-O 3.29Å; Y1502-I1509 WeakPolarHBondContact CA-O 3.29Å; Y1502-I1509 WeakPolarHBondContact CB-O 3.16Å; Y1502-I1509 WeakPolarHBondContact CD1-O 3.48Å; D1503-I1509 HydrophobicContact CB-CB 4.01Å; D1503-I1509 HydrophobicContact CB-CD1 3.87Å; D1503-I1509 HydrophobicContact CB-CG1 3.91Å; D1503-I1509 HydrophobicContact CB-CG2 3.98Å; D1503-I1509 PolarHBondContact N-O 2.92Å; D1503-I1509 VanDerWaalsContact N-O 3.1Å; D1503-I1509 WeakPolarHBondContact O-CA 3.24Å; D1503-I1509 VanDerWaalsContact O-CB 3.28Å; D1503-I1509 WeakPolarHBondContact O-CB 3.1Å; D1503-I1509 PolarHBondContact O-N 2.92Å; D1503-I1509 WeakPolarHBondContact OD2-CD1 3.43Å; Y1506-I1509 HydrophobicContact CD2-CD1 4.15Å; Y1506-I1509 HydrophobicContact CG-CD1 4.08Å; Y1506-I1509 PolarHBondContact O-N 2.74Å; Y1506-I1509 VanDerWaalsContact O-N 3.13Å; K1507-I1509 VanDerWaalsContact C-N 3.34Å; K1507-I1509 HydrophobicContact CB-CD1 4.13Å; K1507-I1509 HydrophobicContact CB-CG1 4.07Å; K1507-I1509 PolarHBondContact O-N 2.74Å; I1509-N1511 VanDerWaalsContact CG2-ND2 3.29Å; I1509-N1511 WeakPolarHBondContact CG2-ND2 3.31Å; I1509-W1530 CarbonylContact C-O 3.44Å; I1509-W1530 WeakPolarHBondContact CA-O 3.29Å; I1509-K1531 HydrophobicContact CB-CG 4.46Å; I1509-K1531 HydrophobicContact CD1-CD 4.22Å; I1509-K1531 HydrophobicContact CD1-CG 4.36Å; I1509-K1531 HydrophobicContact CG1-CB 4.44Å; I1509-K1531 HydrophobicContact CG1-CD 4.31Å; I1509-K1531 HydrophobicContact CG1-CG 4.13Å; I1509-K1531 HydrophobicContact CG2-CB 4.07Å; I1509-K1531 HydrophobicContact CG2-CD 4.12Å; I1509-K1531 HydrophobicContact CG2-CG 4.12Å; I1509-I1533 HydrophobicContact CB-CG1 4.48Å; I1509-I1533 HydrophobicContact CD1-CD1 3.96Å; I1509-I1533 HydrophobicContact CD1-CG1 4.03Å; I1509-I1533 HydrophobicContact CG1-CD1 3.7Å; I1509-I1533 HydrophobicContact CG1-CG1 3.66Å; I1509-L2149 WeakPolarHBondContact O-CD1 2.88Å
1510	I	53.1	Low	50.2	Low	32.4 Å²	32.4	60.2 Å²	60.2	17%	0.166	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	108.1	173	-49.3	179.8	0	0	0	105.3	I1500 Y1502 S1508 I1512 W1530 K1531 N2147 K2148 L2149	I1500-I1510 HydrophobicContact CG2-CG2 3.99Å; Y1502-I1510 HydrophobicContact CD1-CB 3.65Å; Y1502-I1510 HydrophobicContact CD1-CG1 4.22Å; Y1502-I1510 HydrophobicContact CD1-CG2 3.06Å; Y1502-I1510 HydrophobicContact CD2-CD1 3.67Å; Y1502-I1510 HydrophobicContact CD2-CG1 3.99Å; Y1502-I1510 HydrophobicContact CD2-CG2 4.36Å; Y1502-I1510 HydrophobicContact CE1-CD1 4.38Å; Y1502-I1510 HydrophobicContact CE1-CG1 4.05Å; Y1502-I1510 HydrophobicContact CE1-CG2 3.46Å; Y1502-I1510 VanDerWaalsContact CE1-CG2 3.46Å; Y1502-I1510 HydrophobicContact CE2-CB 4.31Å; Y1502-I1510 HydrophobicContact CE2-CD1 3.67Å; Y1502-I1510 HydrophobicContact CE2-CG1 3.66Å; Y1502-I1510 HydrophobicContact CE2-CG2 3.93Å; Y1502-I1510 VanDerWaalsContact CZ-CD1 3.49Å; Y1502-I1510 VanDerWaalsContact CZ-CG1 3.5Å; Y1502-I1510 WeakPolarHBondContact OH-CD1 3.19Å; S1508-I1510 WeakPolarHBondContact O-CD1 3.44Å; S1508-I1510 WeakPolarHBondContact O-CG1 3.34Å; S1508-I1510 PolarHBondContact O-N 2.61Å; I1510-I1512 HydrophobicContact CG2-CD1 4.06Å; I1510-I1512 HydrophobicContact CG2-CG1 3.85Å; I1510-I1512 PolarHBondContact O-N 2.82Å; I1510-W1530 CarbonylContact C-O 3.49Å; I1510-W1530 WeakPolarHBondContact CA-O 3.35Å; I1510-W1530 HydrophobicContact CB-CB 4.25Å; I1510-W1530 HydrophobicContact CB-CD2 4.48Å; I1510-W1530 HydrophobicContact CB-CE3 4.2Å; I1510-W1530 HydrophobicContact CD1-CB 3.79Å; I1510-W1530 HydrophobicContact CD1-CD2 3.69Å; I1510-W1530 HydrophobicContact CD1-CE3 3.68Å; I1510-W1530 HydrophobicContact CD1-CG 3.48Å; I1510-W1530 VanDerWaalsContact CD1-CG 3.48Å; I1510-W1530 HydrophobicContact CD1-CH2 4.38Å; I1510-W1530 HydrophobicContact CD1-CZ3 3.61Å; I1510-W1530 VanDerWaalsContact CD1-CZ3 3.46Å; I1510-W1530 HydrophobicContact CG1-CB 4.27Å; I1510-W1530 HydrophobicContact CG1-CD2 4.42Å; I1510-W1530 HydrophobicContact CG1-CE3 4.14Å; I1510-W1530 HydrophobicContact CG1-CG 4.47Å; I1510-W1530 HydrophobicContact CG1-CZ3 4Å; I1510-W1530 HydrophobicContact CG2-CB 3.73Å; I1510-W1530 HydrophobicContact CG2-CD2 4.21Å; I1510-W1530 HydrophobicContact CG2-CE3 3.99Å; I1510-W1530 HydrophobicContact CG2-CG 4.18Å; I1510-W1530 PolarHBondContact N-O 3.01Å; I1510-W1530 CarbonylContact O-C 3.44Å; I1510-W1530 WeakPolarHBondContact O-CA 3.39Å; I1510-W1530 PolarHBondContact O-N 2.85Å; I1510-K1531 VanDerWaalsContact CB-N 3.28Å; I1510-K1531 WeakPolarHBondContact O-CA 3.11Å; I1510-K1531 WeakPolarHBondContact O-CB 3.34Å; I1510-K1531 PolarHBondContact O-N 2.82Å; I1510-K1531 PolarHBondContact O-NZ 2.74Å; I1510-N2147 CarbonylContact C-O 3.19Å; I1510-N2147 CarbonylContact O-C 3.18Å; I1510-K2148 VanDerWaalsContact C-C 3.49Å; I1510-K2148 CarbonylContact C-O 3.45Å; I1510-K2148 VanDerWaalsContact CA-O 3.23Å; I1510-K2148 WeakPolarHBondContact CA-O 3.45Å; I1510-K2148 HydrophobicContact CB-CB 4.3Å; I1510-K2148 HydrophobicContact CB-CG 4.5Å; I1510-K2148 HydrophobicContact CG2-CB 3.98Å; I1510-K2148 HydrophobicContact CG2-CD 4.39Å; I1510-K2148 HydrophobicContact CG2-CG 3.71Å; I1510-K2148 PolarHBondContact O-N 3.07Å; I1510-L2149 HydrophobicContact CG1-CD1 4.32Å; I1510-L2149 HydrophobicContact CG2-CD1 4.22Å
1511	N	52.1	Low	50.1	Low	48.6 Å²	48.6	66.5 Å²	66.5	26%	0.26	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	109.3	167.4	-86.1	-19.6	0	0	0	109.4	I1500 N1501 I1509 I1513 N1529 K1531 N2147 K2148	I1500-N1511 CarbonylContact C-O 3.52Å; I1500-N1511 WeakPolarHBondContact CA-O 3.4Å; I1500-N1511 VanDerWaalsContact CB-O 3.26Å; I1500-N1511 WeakPolarHBondContact CB-O 3.15Å; I1500-N1511 WeakPolarHBondContact CG2-O 3.42Å; N1501-N1511 HydrophobicContact CB-CB 4.3Å; N1501-N1511 PolarHBondContact N-O 3.26Å; N1501-N1511 WeakPolarHBondContact O-CA 3.3Å; N1501-N1511 WeakPolarHBondContact O-CB 3.14Å; N1501-N1511 PolarHBondContact O-N 3.07Å; N1501-N1511 PolarHBondContact O-ND2 2.76Å; I1509-N1511 VanDerWaalsContact CG2-ND2 3.29Å; I1509-N1511 WeakPolarHBondContact CG2-ND2 3.31Å; N1511-I1513 PolarHBondContact O-N 3.14Å; N1511-I1513 VanDerWaalsContact OD1-CG1 3.23Å; N1511-I1513 WeakPolarHBondContact OD1-CG1 3.39Å; N1511-N1529 WeakPolarHBondContact CA-OD1 3.44Å; N1511-N1529 WeakPolarHBondContact CB-OD1 3.4Å; N1511-N1529 VanDerWaalsContact CG-OD1 3.3Å; N1511-N1529 PolarHBondContact ND2-OD1 3.11Å; N1511-N1529 WeakPolarHBondContact OD1-CB 3.32Å; N1511-N1529 VanDerWaalsContact OD1-CG 3.31Å; N1511-N1529 PolarHBondContact OD1-OD1 3.08Å; N1511-N1529 VanDerWaalsContact OD1-OD1 3.07Å; N1511-K1531 VanDerWaalsContact CG-NZ 3.3Å; N1511-K1531 PolarHBondContact OD1-NZ 2.73Å; N1511-N2147 VanDerWaalsContact CA-O 3.26Å; N1511-N2147 WeakPolarHBondContact CA-O 2.94Å; N1511-K2148 VanDerWaalsContact C-C 3.49Å; N1511-K2148 VanDerWaalsContact C-N 3.32Å; N1511-K2148 CarbonylContact C-O 2.8Å; N1511-K2148 VanDerWaalsContact CA-CA 3.47Å; N1511-K2148 VanDerWaalsContact CA-O 3.29Å; N1511-K2148 WeakPolarHBondContact CA-O 3.49Å; N1511-K2148 PolarHBondContact N-O 2.75Å
1512	I	55.1	Low	50	Low	34.2 Å²	34.2	66.6 Å²	66.6	18%	0.175	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.6	172.2	-63.5	178.6	0	0	0	108.3	I1483 F1498 I1500 I1510 L1514 L1527 I1528 N1529 K2148	I1483-I1512 HydrophobicContact CD1-CD1 4.47Å; F1498-I1512 HydrophobicContact CD2-CD1 4.01Å; F1498-I1512 HydrophobicContact CD2-CG2 4.24Å; F1498-I1512 HydrophobicContact CE2-CD1 3.43Å; F1498-I1512 VanDerWaalsContact CE2-CD1 3.43Å; F1498-I1512 HydrophobicContact CE2-CG2 3.65Å; F1498-I1512 HydrophobicContact CZ-CD1 3.8Å; F1498-I1512 HydrophobicContact CZ-CG2 4.16Å; I1500-I1512 HydrophobicContact CB-CB 4.32Å; I1500-I1512 HydrophobicContact CB-CG1 4.21Å; I1500-I1512 HydrophobicContact CD1-CB 3.76Å; I1500-I1512 HydrophobicContact CD1-CD1 3.17Å; I1500-I1512 HydrophobicContact CD1-CG1 3.18Å; I1500-I1512 HydrophobicContact CD1-CG2 3.78Å; I1500-I1512 HydrophobicContact CG1-CB 3.81Å; I1500-I1512 HydrophobicContact CG1-CD1 4.23Å; I1500-I1512 HydrophobicContact CG1-CG1 4.2Å; I1500-I1512 HydrophobicContact CG1-CG2 4.22Å; I1500-I1512 VanDerWaalsContact CG2-CA 3.42Å; I1500-I1512 HydrophobicContact CG2-CB 3.95Å; I1500-I1512 HydrophobicContact CG2-CG1 4.13Å; I1510-I1512 HydrophobicContact CG2-CD1 4.06Å; I1510-I1512 HydrophobicContact CG2-CG1 3.85Å; I1510-I1512 PolarHBondContact O-N 2.82Å; I1512-L1514 HydrophobicContact CD1-CD2 4.18Å; I1512-L1514 HydrophobicContact CG2-CB 3.59Å; I1512-L1514 HydrophobicContact CG2-CD1 4.46Å; I1512-L1514 HydrophobicContact CG2-CD2 3.98Å; I1512-L1514 HydrophobicContact CG2-CG 4.48Å; I1512-L1527 WeakPolarHBondContact O-CA 3.46Å; I1512-L1527 WeakPolarHBondContact O-CD2 3.42Å; I1512-L1527 WeakPolarHBondContact O-CG 3.35Å; I1512-I1528 WeakPolarHBondContact CA-O 3.34Å; I1512-I1528 VanDerWaalsContact CB-C 3.41Å; I1512-I1528 HydrophobicContact CB-CB 4.26Å; I1512-I1528 WeakPolarHBondContact CB-O 3.39Å; I1512-I1528 HydrophobicContact CD1-CB 4.01Å; I1512-I1528 HydrophobicContact CG1-CB 4.39Å; I1512-I1528 WeakPolarHBondContact CG1-O 3.36Å; I1512-I1528 HydrophobicContact CG2-CB 4.19Å; I1512-I1528 PolarHBondContact N-O 3.01Å; I1512-I1528 CarbonylContact O-C 3.53Å; I1512-I1528 PolarHBondContact O-N 2.91Å; I1512-I1528 VanDerWaalsContact O-N 3.08Å; I1512-N1529 PolarHBondContact N-OD1 2.78Å; I1512-N1529 PolarHBondContact O-OD1 2.91Å; I1512-K2148 HydrophobicContact CB-CB 3.65Å; I1512-K2148 HydrophobicContact CD1-CB 4.42Å; I1512-K2148 HydrophobicContact CD1-CD 3.85Å; I1512-K2148 HydrophobicContact CD1-CG 4.43Å; I1512-K2148 HydrophobicContact CG1-CB 3.26Å; I1512-K2148 HydrophobicContact CG1-CD 3.6Å; I1512-K2148 HydrophobicContact CG1-CG 3.74Å; I1512-K2148 VanDerWaalsContact N-CA 3.25Å; I1512-K2148 VanDerWaalsContact N-CB 3.33Å
1513	I	54.9	Low	50.3	Low	54.6 Å²	54.6	67.8 Å²	67.8	28%	0.28	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	115.4	169.9	-56	175.6	0	0	0	107.9	Q1497 F1498 N1499 I1500 N1511 K1515 L1527	Q1497-I1513 VanDerWaalsContact O-O 3.09Å; F1498-I1513 CarbonylContact C-O 3.41Å; F1498-I1513 WeakPolarHBondContact CA-O 3.36Å; N1499-I1513 HydrophobicContact CB-CB 4.41Å; N1499-I1513 PolarHBondContact N-O 3.13Å; N1499-I1513 VanDerWaalsContact N-O 3.08Å; N1499-I1513 CarbonylContact O-C 3Å; N1499-I1513 VanDerWaalsContact O-CA 3.25Å; N1499-I1513 WeakPolarHBondContact O-CA 3.13Å; N1499-I1513 WeakPolarHBondContact O-CB 3.48Å; N1499-I1513 PolarHBondContact O-N 2.85Å; N1499-I1513 VanDerWaalsContact O-O 3.09Å; I1500-I1513 WeakPolarHBondContact CG1-O 3.46Å; N1511-I1513 PolarHBondContact O-N 3.14Å; N1511-I1513 VanDerWaalsContact OD1-CG1 3.23Å; N1511-I1513 WeakPolarHBondContact OD1-CG1 3.39Å; I1513-K1515 HydrophobicContact CG2-CB 4.08Å; I1513-K1515 HydrophobicContact CG2-CD 4.08Å; I1513-K1515 HydrophobicContact CG2-CG 3.92Å; I1513-L1527 HydrophobicContact CB-CG 4.45Å; I1513-L1527 HydrophobicContact CD1-CD1 4.37Å; I1513-L1527 HydrophobicContact CG1-CD1 4.28Å; I1513-L1527 HydrophobicContact CG1-CD2 4.42Å; I1513-L1527 HydrophobicContact CG1-CG 4.29Å; I1513-L1527 HydrophobicContact CG2-CD1 3.97Å; I1513-L1527 HydrophobicContact CG2-CG 4.4Å
1514	L	54	Low	50.7	Low	38.2 Å²	38.2	67.4 Å²	67.4	20%	0.2	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	107.2	173.3	-172.4	108.2	0	0	0	107.1	I1496 Q1497 F1498 I1512 I1516 H1525 L1526 I1528	I1496-L1514 HydrophobicContact CG2-CD1 4.44Å; Q1497-L1514 WeakPolarHBondContact O-CA 3.48Å; F1498-L1514 HydrophobicContact CB-CD1 4.33Å; F1498-L1514 HydrophobicContact CD2-CB 4.17Å; F1498-L1514 HydrophobicContact CD2-CD1 3.92Å; F1498-L1514 HydrophobicContact CD2-CD2 4.05Å; F1498-L1514 HydrophobicContact CD2-CG 3.98Å; F1498-L1514 HydrophobicContact CE2-CB 4.44Å; F1498-L1514 HydrophobicContact CE2-CD1 4.17Å; F1498-L1514 HydrophobicContact CE2-CD2 4.26Å; F1498-L1514 HydrophobicContact CE2-CG 4.27Å; F1498-L1514 HydrophobicContact CG-CD1 4.3Å; I1512-L1514 HydrophobicContact CD1-CD2 4.18Å; I1512-L1514 HydrophobicContact CG2-CB 3.59Å; I1512-L1514 HydrophobicContact CG2-CD1 4.46Å; I1512-L1514 HydrophobicContact CG2-CD2 3.98Å; I1512-L1514 HydrophobicContact CG2-CG 4.48Å; L1514-I1516 HydrophobicContact CD2-CD1 4Å; L1514-I1516 HydrophobicContact CD2-CG1 4.15Å; L1514-I1516 HydrophobicContact CG-CG1 4.35Å; L1514-H1525 CarbonylContact O-C 3.59Å; L1514-H1525 WeakPolarHBondContact O-CA 3.28Å; L1514-L1526 CarbonylContact C-O 3.28Å; L1514-L1526 VanDerWaalsContact CA-O 3.27Å; L1514-L1526 WeakPolarHBondContact CA-O 3.35Å; L1514-L1526 HydrophobicContact CB-CB 4.26Å; L1514-L1526 WeakPolarHBondContact CB-O 3.49Å; L1514-L1526 HydrophobicContact CD1-CD2 3.94Å; L1514-L1526 HydrophobicContact CD2-CB 4.31Å; L1514-L1526 HydrophobicContact CD2-CD2 4.26Å; L1514-L1526 HydrophobicContact CD2-CG 3.65Å; L1514-L1526 WeakPolarHBondContact CD2-O 3.48Å; L1514-L1526 HydrophobicContact CG-CB 4Å; L1514-L1526 HydrophobicContact CG-CD2 4.43Å; L1514-L1526 HydrophobicContact CG-CG 3.95Å; L1514-L1526 WeakPolarHBondContact CG-O 3.4Å; L1514-L1526 PolarHBondContact N-O 3.12Å; L1514-L1526 VanDerWaalsContact N-O 3.12Å; L1514-L1526 CarbonylContact O-C 3.39Å; L1514-L1526 WeakPolarHBondContact O-CA 3.39Å; L1514-L1526 PolarHBondContact O-N 2.91Å; L1514-L1526 VanDerWaalsContact O-N 3.11Å; L1514-I1528 HydrophobicContact CD2-CB 3.69Å; L1514-I1528 HydrophobicContact CD2-CD1 3.38Å; L1514-I1528 HydrophobicContact CD2-CG1 3.38Å
1515	K	54.8	Low	51.7	Low	81.4 Å²	81.4	66 Å²	66	35%	0.354	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.4	179.1	-82.9	-175.2	-179.8	-165.1	0	110	N1495 I1496 Q1497 I1513 N1517 E1523 H1525	N1495-K1515 CarbonylContact C-O 3.25Å; I1496-K1515 CarbonylContact C-O 3.44Å; I1496-K1515 VanDerWaalsContact CA-C 3.44Å; I1496-K1515 WeakPolarHBondContact CA-O 3.26Å; I1496-K1515 PolarHBondContact N-O 2.91Å; I1496-K1515 CarbonylContact O-C 3.09Å; I1496-K1515 PolarHBondContact O-N 2.69Å; Q1497-K1515 HydrophobicContact CB-CB 4.35Å; Q1497-K1515 PolarHBondContact N-O 3.16Å; Q1497-K1515 PolarHBondContact O-N 3.15Å; Q1497-K1515 VanDerWaalsContact O-N 3.13Å; I1513-K1515 HydrophobicContact CG2-CB 4.08Å; I1513-K1515 HydrophobicContact CG2-CD 4.08Å; I1513-K1515 HydrophobicContact CG2-CG 3.92Å; K1515-N1517 PolarHBondContact O-N 3.08Å; K1515-E1523 IonicContact NZ-OE1 4Å; K1515-E1523 PolarHBondContact NZ-OE1 2.89Å; K1515-H1525 HydrophobicContact CB-CB 4.49Å; K1515-H1525 HydrophobicContact CG-CB 3.86Å; K1515-H1525 VanDerWaalsContact CG-CB 3.5Å
1516	I	53.7	Low	52.5	Low	49.2 Å²	49.2	64 Å²	64	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	105.1	169.8	-59.6	177.8	0	0	0	107.2	D1494 N1495 I1496 L1514 I1518 N1524	D1494-I1516 WeakPolarHBondContact OD2-CG2 3.34Å; N1495-I1516 CarbonylContact O-C 3.14Å; N1495-I1516 WeakPolarHBondContact O-CA 3.23Å; I1496-I1516 HydrophobicContact CB-CG1 3.73Å; I1496-I1516 HydrophobicContact CD1-CD1 3.38Å; I1496-I1516 HydrophobicContact CD1-CG1 3.53Å; I1496-I1516 HydrophobicContact CG1-CD1 4.03Å; I1496-I1516 HydrophobicContact CG1-CG1 3.55Å; I1496-I1516 HydrophobicContact CG1-CG2 4.4Å; I1496-I1516 HydrophobicContact CG2-CD1 4.08Å; I1496-I1516 HydrophobicContact CG2-CG1 3.98Å; I1496-I1516 VanDerWaalsContact CG2-CG1 3.48Å; L1514-I1516 HydrophobicContact CD2-CD1 4Å; L1514-I1516 HydrophobicContact CD2-CG1 4.15Å; L1514-I1516 HydrophobicContact CG-CG1 4.35Å; I1516-I1518 HydrophobicContact CG2-CB 4.47Å; I1516-I1518 HydrophobicContact CG2-CD1 4.24Å; I1516-I1518 HydrophobicContact CG2-CG1 3.96Å; I1516-I1518 PolarHBondContact O-N 2.8Å; I1516-N1524 CarbonylContact C-O 3.19Å; I1516-N1524 WeakPolarHBondContact CA-O 3.4Å; I1516-N1524 HydrophobicContact CB-CB 4.23Å; I1516-N1524 WeakPolarHBondContact CB-O 3.31Å; I1516-N1524 HydrophobicContact CG2-CB 3.89Å; I1516-N1524 PolarHBondContact N-O 3.26Å; I1516-N1524 VanDerWaalsContact N-O 3.17Å; I1516-N1524 CarbonylContact O-C 3.41Å; I1516-N1524 WeakPolarHBondContact O-CA 3.08Å; I1516-N1524 WeakPolarHBondContact O-CB 3.13Å; I1516-N1524 PolarHBondContact O-N 3.01Å
1517	N	51.9	Low	53.6	Low	54.8 Å²	54.8	58.6 Å²	58.6	29%	0.293	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	99.9	171.1	-79.5	12.5	0	0	0	109.2	D1494 N1495 K1515 E1523 N1524	D1494-N1517 VanDerWaalsContact CA-O 3.26Å; D1494-N1517 WeakPolarHBondContact CA-O 3.36Å; D1494-N1517 VanDerWaalsContact CB-O 3.24Å; D1494-N1517 WeakPolarHBondContact CB-O 3.31Å; D1494-N1517 WeakPolarHBondContact OD2-CA 3.36Å; D1494-N1517 PolarHBondContact OD2-N 3.44Å; N1495-N1517 HydrophobicContact CB-CB 4.46Å; N1495-N1517 PolarHBondContact N-O 3.07Å; N1495-N1517 VanDerWaalsContact N-O 3.16Å; N1495-N1517 PolarHBondContact O-N 3.21Å; N1495-N1517 VanDerWaalsContact O-N 3.1Å; K1515-N1517 PolarHBondContact O-N 3.08Å; N1517-E1523 HydrophobicContact CB-CG 4.21Å; N1517-E1523 VanDerWaalsContact CG-CG 3.48Å; N1517-E1523 VanDerWaalsContact CG-OE1 3.29Å; N1517-E1523 PolarHBondContact ND2-OE1 3.39Å; N1517-E1523 VanDerWaalsContact OD1-CG 3.27Å; N1517-E1523 WeakPolarHBondContact OD1-CG 3.17Å; N1517-E1523 PolarHBondContact OD1-OE1 3.05Å; N1517-N1524 PolarHBondContact OD1-N 2.76Å
1518	I	49.6	Very low	54.4	Low	49.4 Å²	49.4	55.7 Å²	55.7	25%	0.253	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	148.5	174.9	-69.7	178.2	0	0	0	108.5	Y1009 F1027 D1494 I1516 S1520 N1521 I1522	Y1009-I1518 HydrophobicContact CE1-CG2 4.38Å; F1027-I1518 HydrophobicContact CE2-CG2 4Å; F1027-I1518 HydrophobicContact CZ-CG2 4.29Å; D1494-I1518 WeakPolarHBondContact OD1-CA 3.39Å; D1494-I1518 WeakPolarHBondContact OD2-CA 3.31Å; D1494-I1518 PolarHBondContact OD2-N 2.72Å; I1516-I1518 HydrophobicContact CG2-CB 4.47Å; I1516-I1518 HydrophobicContact CG2-CD1 4.24Å; I1516-I1518 HydrophobicContact CG2-CG1 3.96Å; I1516-I1518 PolarHBondContact O-N 2.8Å; I1518-S1520 CarbonylContact C-O 3.4Å; I1518-S1520 VanDerWaalsContact CG2-OG 3.25Å; I1518-S1520 WeakPolarHBondContact CG2-OG 3.28Å; I1518-S1520 CarbonylContact O-C 3.38Å; I1518-S1520 VanDerWaalsContact O-C 3.23Å; I1518-S1520 PolarHBondContact O-N 3.11Å; I1518-S1520 VanDerWaalsContact O-N 3.1Å; I1518-N1521 WeakPolarHBondContact O-CA 3.09Å; I1518-N1521 PolarHBondContact O-N 3.35Å; I1518-I1522 HydrophobicContact CG2-CB 3.81Å; I1518-I1522 WeakPolarHBondContact CG2-O 3Å; I1518-I1522 PolarHBondContact N-O 2.6Å; I1518-I1522 PolarHBondContact O-N 3.13Å
1519	Q	47.9	Very low	55.2	Low	94 Å²	94	55.8 Å²	55.8	44%	0.439	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-24.1	-175.9	-125.5	173.4	-2.3	0	0	116	D1007 F1027 N1028 F1492 N1493 D1494 N1521	D1007-Q1519 HydrophobicContact CB-CB 4.16Å; D1007-Q1519 VanDerWaalsContact CG-NE2 3.3Å; D1007-Q1519 VanDerWaalsContact CG-OE1 3.25Å; D1007-Q1519 PolarHBondContact OD1-NE2 2.87Å; D1007-Q1519 PolarHBondContact OD1-OE1 3.08Å; D1007-Q1519 VanDerWaalsContact OD1-OE1 3.11Å; F1027-Q1519 HydrophobicContact CE1-CG 4.42Å; F1027-Q1519 HydrophobicContact CE2-CB 3.83Å; F1027-Q1519 HydrophobicContact CE2-CG 4.27Å; F1027-Q1519 HydrophobicContact CZ-CB 3.62Å; F1027-Q1519 HydrophobicContact CZ-CG 3.55Å; N1028-Q1519 PolarHBondContact ND2-OE1 3.23Å; F1492-Q1519 WeakPolarHBondContact O-CG 3.41Å; F1492-Q1519 PolarHBondContact O-NE2 3.04Å; N1493-Q1519 HydrophobicContact CB-CG 3.94Å; D1494-Q1519 PolarHBondContact OD1-N 3.39Å; Q1519-N1521 PolarHBondContact O-N 3.02Å
1520	S	46.5	Very low	55.9	Low	59.2 Å²	59.2	58.6 Å²	58.6	41%	0.414	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	81.4	169.4	51.8	0	0	0	0	109.6	Y1009 I1518 I1522	Y1009-S1520 WeakPolarHBondContact OH-CA 3.47Å; Y1009-S1520 VanDerWaalsContact OH-CB 3.31Å; Y1009-S1520 WeakPolarHBondContact OH-CB 3.47Å; Y1009-S1520 PolarHBondContact OH-N 3.45Å; I1518-S1520 CarbonylContact C-O 3.4Å; I1518-S1520 VanDerWaalsContact CG2-OG 3.25Å; I1518-S1520 WeakPolarHBondContact CG2-OG 3.28Å; I1518-S1520 CarbonylContact O-C 3.38Å; I1518-S1520 VanDerWaalsContact O-C 3.23Å; I1518-S1520 PolarHBondContact O-N 3.11Å; I1518-S1520 VanDerWaalsContact O-N 3.1Å; S1520-I1522 WeakPolarHBondContact O-CA 3.21Å; S1520-I1522 VanDerWaalsContact O-CB 3.29Å; S1520-I1522 WeakPolarHBondContact O-CB 3.29Å; S1520-I1522 VanDerWaalsContact O-CG1 3.25Å; S1520-I1522 WeakPolarHBondContact O-CG1 3.18Å; S1520-I1522 PolarHBondContact O-N 3.1Å; S1520-I1522 WeakPolarHBondContact OG-CB 3.28Å; S1520-I1522 WeakPolarHBondContact OG-CD1 3.26Å; S1520-I1522 WeakPolarHBondContact OG-CG1 3.23Å
1521	N	47.9	Very low	56.5	Low	159.6 Å²	159.6	60.5 Å²	60.5	85%	0.853	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-10.5	40.2	-173.6	-72.4	-30.5	0	0	0	115.6	I1518 Q1519 E1523	I1518-N1521 WeakPolarHBondContact O-CA 3.09Å; I1518-N1521 PolarHBondContact O-N 3.35Å; Q1519-N1521 PolarHBondContact O-N 3.02Å; N1521-E1523 VanDerWaalsContact C-N 3.27Å; N1521-E1523 PolarHBondContact O-N 2.81Å; N1521-E1523 VanDerWaalsContact O-N 3.09Å
1522	I	49.4	Very low	57	Low	63 Å²	63	59.4 Å²	59.4	32%	0.323	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	90	-175.7	-64.1	-173.3	0	0	0	104.7	I1518 S1520 N1524 S1546	I1518-I1522 HydrophobicContact CG2-CB 3.81Å; I1518-I1522 WeakPolarHBondContact CG2-O 3Å; I1518-I1522 PolarHBondContact N-O 2.6Å; I1518-I1522 PolarHBondContact O-N 3.13Å; S1520-I1522 WeakPolarHBondContact O-CA 3.21Å; S1520-I1522 VanDerWaalsContact O-CB 3.29Å; S1520-I1522 WeakPolarHBondContact O-CB 3.29Å; S1520-I1522 VanDerWaalsContact O-CG1 3.25Å; S1520-I1522 WeakPolarHBondContact O-CG1 3.18Å; S1520-I1522 PolarHBondContact O-N 3.1Å; S1520-I1522 WeakPolarHBondContact OG-CB 3.28Å; S1520-I1522 WeakPolarHBondContact OG-CD1 3.26Å; S1520-I1522 WeakPolarHBondContact OG-CG1 3.23Å; I1522-N1524 WeakPolarHBondContact CG2-ND2 3.07Å; I1522-N1524 VanDerWaalsContact O-CB 3.23Å; I1522-N1524 WeakPolarHBondContact O-CB 3.19Å; I1522-N1524 PolarHBondContact O-N 2.91Å; I1522-N1524 PolarHBondContact O-ND2 3.3Å; I1522-N1524 PolarHBondContact O-OD1 3.1Å; I1522-S1546 VanDerWaalsContact CA-OG 3.32Å; I1522-S1546 WeakPolarHBondContact CA-OG 3.25Å; I1522-S1546 VanDerWaalsContact CG2-CB 3.45Å; I1522-S1546 VanDerWaalsContact CG2-N 3.28Å; I1522-S1546 WeakPolarHBondContact CG2-OG 3.27Å
1523	E	52.7	Low	57.2	Low	90.8 Å²	90.8	59.6 Å²	59.6	42%	0.424	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	101.9	-177.7	-79.1	-151.5	151.7	0	0	110.1	K1515 N1517 N1521 H1525 K1544	K1515-E1523 IonicContact NZ-OE1 4Å; K1515-E1523 PolarHBondContact NZ-OE1 2.89Å; N1517-E1523 HydrophobicContact CB-CG 4.21Å; N1517-E1523 VanDerWaalsContact CG-CG 3.48Å; N1517-E1523 VanDerWaalsContact CG-OE1 3.29Å; N1517-E1523 PolarHBondContact ND2-OE1 3.39Å; N1517-E1523 VanDerWaalsContact OD1-CG 3.27Å; N1517-E1523 WeakPolarHBondContact OD1-CG 3.17Å; N1517-E1523 PolarHBondContact OD1-OE1 3.05Å; N1521-E1523 VanDerWaalsContact C-N 3.27Å; N1521-E1523 PolarHBondContact O-N 2.81Å; N1521-E1523 VanDerWaalsContact O-N 3.09Å; E1523-H1525 VanDerWaalsContact C-N 3.29Å; E1523-H1525 PolarHBondContact O-N 3.02Å; E1523-H1525 PolarHBondContact O-ND1 3.02Å; E1523-H1525 IonicContact OE2-CE1 3.17Å; E1523-H1525 IonicContact OE2-ND1 3.06Å; E1523-H1525 PolarHBondContact OE2-ND1 2.8Å; E1523-K1544 VanDerWaalsContact O-CD 3.27Å; E1523-K1544 WeakPolarHBondContact O-CD 3.18Å; E1523-K1544 WeakPolarHBondContact O-CE 3.36Å; E1523-K1544 WeakPolarHBondContact O-CG 3.21Å; E1523-K1544 PolarHBondContact O-NZ 2.67Å; E1523-K1544 IonicContact OE2-NZ 3.44Å; E1523-K1544 PolarHBondContact OE2-NZ 3.11Å
1524	N	57.2	Low	57.4	Low	32.6 Å²	32.6	62.1 Å²	62.1	17%	0.174	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	101.9	175.1	-75.4	-18.7	0	0	0	109	I1516 N1517 I1522 K1544 I1545 S1546	I1516-N1524 CarbonylContact C-O 3.19Å; I1516-N1524 WeakPolarHBondContact CA-O 3.4Å; I1516-N1524 HydrophobicContact CB-CB 4.23Å; I1516-N1524 WeakPolarHBondContact CB-O 3.31Å; I1516-N1524 HydrophobicContact CG2-CB 3.89Å; I1516-N1524 PolarHBondContact N-O 3.26Å; I1516-N1524 VanDerWaalsContact N-O 3.17Å; I1516-N1524 CarbonylContact O-C 3.41Å; I1516-N1524 WeakPolarHBondContact O-CA 3.08Å; I1516-N1524 WeakPolarHBondContact O-CB 3.13Å; I1516-N1524 PolarHBondContact O-N 3.01Å; N1517-N1524 PolarHBondContact OD1-N 2.76Å; I1522-N1524 WeakPolarHBondContact CG2-ND2 3.07Å; I1522-N1524 VanDerWaalsContact O-CB 3.23Å; I1522-N1524 WeakPolarHBondContact O-CB 3.19Å; I1522-N1524 PolarHBondContact O-N 2.91Å; I1522-N1524 PolarHBondContact O-ND2 3.3Å; I1522-N1524 PolarHBondContact O-OD1 3.1Å; N1524-K1544 CarbonylContact C-O 3.41Å; N1524-K1544 VanDerWaalsContact CA-C 3.48Å; N1524-K1544 VanDerWaalsContact CA-O 3.26Å; N1524-K1544 WeakPolarHBondContact CA-O 3.31Å; N1524-K1544 PolarHBondContact OD1-O 2.97Å; N1524-I1545 VanDerWaalsContact CG-CA 3.47Å; N1524-I1545 WeakPolarHBondContact OD1-CA 3.39Å; N1524-I1545 PolarHBondContact OD1-N 2.84Å; N1524-S1546 WeakPolarHBondContact OD1-CB 3.14Å; N1524-S1546 PolarHBondContact OD1-N 2.95Å; N1524-S1546 VanDerWaalsContact OD1-N 3.1Å; N1524-S1546 PolarHBondContact OD1-OG 3Å
1525	H	66.9	Low	57.7	Low	47.2 Å²	47.2	63.8 Å²	63.8	22%	0.219	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.6	-179.4	58.1	-92.7	0	0	0	112.2	L1514 K1515 E1523 N1542 C1543 K1544	L1514-H1525 CarbonylContact O-C 3.59Å; L1514-H1525 WeakPolarHBondContact O-CA 3.28Å; K1515-H1525 HydrophobicContact CB-CB 4.49Å; K1515-H1525 HydrophobicContact CG-CB 3.86Å; K1515-H1525 VanDerWaalsContact CG-CB 3.5Å; E1523-H1525 VanDerWaalsContact C-N 3.29Å; E1523-H1525 PolarHBondContact O-N 3.02Å; E1523-H1525 PolarHBondContact O-ND1 3.02Å; E1523-H1525 IonicContact OE2-CE1 3.17Å; E1523-H1525 IonicContact OE2-ND1 3.06Å; E1523-H1525 PolarHBondContact OE2-ND1 2.8Å; H1525-N1542 VanDerWaalsContact O-O 3.05Å; H1525-C1543 CarbonylContact O-C 3.49Å; H1525-C1543 VanDerWaalsContact O-CA 3.23Å; H1525-C1543 WeakPolarHBondContact O-CA 3.27Å; H1525-K1544 VanDerWaalsContact CE1-CB 3.41Å; H1525-K1544 WeakPolarHBondContact CE1-CB 3.32Å; H1525-K1544 WeakPolarHBondContact CE1-CD 3.39Å; H1525-K1544 PolarHBondContact N-O 3.08Å; H1525-K1544 VanDerWaalsContact N-O 3.16Å; H1525-K1544 WeakPolarHBondContact NE2-CB 3.19Å; H1525-K1544 PolarHBondContact O-N 3.01Å
1526	L	64	Low	58.2	Low	42.4 Å²	42.4	60.8 Å²	60.8	22%	0.222	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	107.4	166.5	176.4	63	0	0	0	108	L1514 I1528 I1541 N1542 C1543	L1514-L1526 CarbonylContact C-O 3.28Å; L1514-L1526 VanDerWaalsContact CA-O 3.27Å; L1514-L1526 WeakPolarHBondContact CA-O 3.35Å; L1514-L1526 HydrophobicContact CB-CB 4.26Å; L1514-L1526 WeakPolarHBondContact CB-O 3.49Å; L1514-L1526 HydrophobicContact CD1-CD2 3.94Å; L1514-L1526 HydrophobicContact CD2-CB 4.31Å; L1514-L1526 HydrophobicContact CD2-CD2 4.26Å; L1514-L1526 HydrophobicContact CD2-CG 3.65Å; L1514-L1526 WeakPolarHBondContact CD2-O 3.48Å; L1514-L1526 HydrophobicContact CG-CB 4Å; L1514-L1526 HydrophobicContact CG-CD2 4.43Å; L1514-L1526 HydrophobicContact CG-CG 3.95Å; L1514-L1526 WeakPolarHBondContact CG-O 3.4Å; L1514-L1526 PolarHBondContact N-O 3.12Å; L1514-L1526 VanDerWaalsContact N-O 3.12Å; L1514-L1526 CarbonylContact O-C 3.39Å; L1514-L1526 WeakPolarHBondContact O-CA 3.39Å; L1514-L1526 PolarHBondContact O-N 2.91Å; L1514-L1526 VanDerWaalsContact O-N 3.11Å; L1526-I1528 HydrophobicContact CD1-CD1 4.16Å; L1526-I1528 HydrophobicContact CD1-CG1 4.06Å; L1526-I1528 VanDerWaalsContact CD1-CG1 3.49Å; L1526-I1528 HydrophobicContact CD2-CD1 3.99Å; L1526-I1528 HydrophobicContact CD2-CG1 4.17Å; L1526-I1528 HydrophobicContact CG-CD1 4.16Å; L1526-I1528 HydrophobicContact CG-CG1 4.02Å; L1526-I1528 PolarHBondContact O-N 3.14Å; L1526-I1541 HydrophobicContact CD1-CB 4.13Å; L1526-I1541 HydrophobicContact CD1-CG2 3.81Å; L1526-I1541 VanDerWaalsContact CD1-CG2 3.41Å; L1526-I1541 HydrophobicContact CD2-CG2 4.49Å; L1526-N1542 CarbonylContact C-O 3.52Å; L1526-N1542 WeakPolarHBondContact CA-O 3.22Å; L1526-C1543 HydrophobicContact CB-CB 3.49Å; L1526-C1543 VanDerWaalsContact CB-CB 3.49Å; L1526-C1543 HydrophobicContact CD1-CB 3.81Å; L1526-C1543 HydrophobicContact CD2-CB 4.05Å; L1526-C1543 HydrophobicContact CG-CB 3.65Å
1527	L	66.5	Low	59	Low	44.4 Å²	44.4	60.9 Å²	60.9	23%	0.232	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.5	172.9	-166.5	133.6	0	0	0	108.1	I1512 I1513 N1529 I1540 I1541 N1542	I1512-L1527 WeakPolarHBondContact O-CA 3.46Å; I1512-L1527 WeakPolarHBondContact O-CD2 3.42Å; I1512-L1527 WeakPolarHBondContact O-CG 3.35Å; I1513-L1527 HydrophobicContact CB-CG 4.45Å; I1513-L1527 HydrophobicContact CD1-CD1 4.37Å; I1513-L1527 HydrophobicContact CG1-CD1 4.28Å; I1513-L1527 HydrophobicContact CG1-CD2 4.42Å; I1513-L1527 HydrophobicContact CG1-CG 4.29Å; I1513-L1527 HydrophobicContact CG2-CD1 3.97Å; I1513-L1527 HydrophobicContact CG2-CG 4.4Å; L1527-N1529 HydrophobicContact CD2-CB 4.3Å; L1527-N1529 WeakPolarHBondContact CD2-ND2 3.17Å; L1527-N1529 WeakPolarHBondContact CD2-OD1 3.14Å; L1527-I1540 HydrophobicContact CB-CB 4.3Å; L1527-I1540 HydrophobicContact CB-CD1 4.32Å; L1527-I1540 HydrophobicContact CB-CG2 3.74Å; L1527-I1540 HydrophobicContact CD2-CD1 3.58Å; L1527-I1540 HydrophobicContact CD2-CG2 4.31Å; L1527-I1540 VanDerWaalsContact O-CG2 3.3Å; L1527-I1540 WeakPolarHBondContact O-CG2 3.44Å; L1527-I1541 CarbonylContact O-C 3.38Å; L1527-I1541 WeakPolarHBondContact O-CA 3.31Å; L1527-N1542 HydrophobicContact CB-CB 4.35Å; L1527-N1542 HydrophobicContact CD2-CB 4.38Å; L1527-N1542 PolarHBondContact N-O 3.21Å; L1527-N1542 PolarHBondContact O-N 3.34Å
1528	I	64.6	Low	59.9	Low	29.4 Å²	29.4	60.7 Å²	60.7	15%	0.151	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	97.4	172.4	-61.3	171.8	0	0	0	108.2	I1512 L1514 L1526 W1530 F1539 I1540 I1541 K2148	I1512-I1528 WeakPolarHBondContact CA-O 3.34Å; I1512-I1528 VanDerWaalsContact CB-C 3.41Å; I1512-I1528 HydrophobicContact CB-CB 4.26Å; I1512-I1528 WeakPolarHBondContact CB-O 3.39Å; I1512-I1528 HydrophobicContact CD1-CB 4.01Å; I1512-I1528 HydrophobicContact CG1-CB 4.39Å; I1512-I1528 WeakPolarHBondContact CG1-O 3.36Å; I1512-I1528 HydrophobicContact CG2-CB 4.19Å; I1512-I1528 PolarHBondContact N-O 3.01Å; I1512-I1528 CarbonylContact O-C 3.53Å; I1512-I1528 PolarHBondContact O-N 2.91Å; I1512-I1528 VanDerWaalsContact O-N 3.08Å; L1514-I1528 HydrophobicContact CD2-CB 3.69Å; L1514-I1528 HydrophobicContact CD2-CD1 3.38Å; L1514-I1528 HydrophobicContact CD2-CG1 3.38Å; L1526-I1528 HydrophobicContact CD1-CD1 4.16Å; L1526-I1528 HydrophobicContact CD1-CG1 4.06Å; L1526-I1528 VanDerWaalsContact CD1-CG1 3.49Å; L1526-I1528 HydrophobicContact CD2-CD1 3.99Å; L1526-I1528 HydrophobicContact CD2-CG1 4.17Å; L1526-I1528 HydrophobicContact CG-CD1 4.16Å; L1526-I1528 HydrophobicContact CG-CG1 4.02Å; L1526-I1528 PolarHBondContact O-N 3.14Å; I1528-W1530 PolarHBondContact O-N 2.81Å; I1528-W1530 VanDerWaalsContact O-N 3.14Å; I1528-F1539 HydrophobicContact CG2-CD1 4.41Å; I1528-F1539 HydrophobicContact CG2-CD2 4.29Å; I1528-F1539 HydrophobicContact CG2-CE1 3.97Å; I1528-F1539 HydrophobicContact CG2-CE2 3.68Å; I1528-F1539 HydrophobicContact CG2-CZ 4.3Å; I1528-I1540 CarbonylContact C-O 3.47Å; I1528-I1540 VanDerWaalsContact CA-O 3.29Å; I1528-I1540 WeakPolarHBondContact CA-O 3.33Å; I1528-I1541 HydrophobicContact CG1-CB 4.41Å; I1528-I1541 HydrophobicContact CG1-CG1 4.31Å; I1528-I1541 HydrophobicContact CG1-CG2 4.33Å; I1528-I1541 HydrophobicContact CG2-CG1 4.18Å; I1528-K2148 WeakPolarHBondContact O-CB 3.45Å; I1528-K2148 WeakPolarHBondContact O-CG 3.26Å
1529	N	67	Low	61.2	Low	36.8 Å²	36.8	60.6 Å²	60.6	20%	0.197	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122	177.7	-89.2	-3.2	0	0	0	108.5	N1511 I1512 L1527 F1539 I1540 N2147 K2148	N1511-N1529 WeakPolarHBondContact CA-OD1 3.44Å; N1511-N1529 WeakPolarHBondContact CB-OD1 3.4Å; N1511-N1529 VanDerWaalsContact CG-OD1 3.3Å; N1511-N1529 PolarHBondContact ND2-OD1 3.11Å; N1511-N1529 WeakPolarHBondContact OD1-CB 3.32Å; N1511-N1529 VanDerWaalsContact OD1-CG 3.31Å; N1511-N1529 PolarHBondContact OD1-OD1 3.08Å; N1511-N1529 VanDerWaalsContact OD1-OD1 3.07Å; I1512-N1529 PolarHBondContact N-OD1 2.78Å; I1512-N1529 PolarHBondContact O-OD1 2.91Å; L1527-N1529 HydrophobicContact CD2-CB 4.3Å; L1527-N1529 WeakPolarHBondContact CD2-ND2 3.17Å; L1527-N1529 WeakPolarHBondContact CD2-OD1 3.14Å; N1529-F1539 VanDerWaalsContact C-CA 3.5Å; N1529-F1539 CarbonylContact O-C 3.48Å; N1529-F1539 WeakPolarHBondContact O-CA 3.31Å; N1529-F1539 WeakPolarHBondContact O-CD1 3.23Å; N1529-I1540 VanDerWaalsContact CA-N 3.34Å; N1529-I1540 HydrophobicContact CB-CB 4.04Å; N1529-I1540 HydrophobicContact CB-CD1 3.85Å; N1529-I1540 HydrophobicContact CB-CG1 3.47Å; N1529-I1540 VanDerWaalsContact CB-CG1 3.47Å; N1529-I1540 HydrophobicContact CB-CG2 4.34Å; N1529-I1540 PolarHBondContact N-O 2.96Å; N1529-I1540 WeakPolarHBondContact ND2-CD1 3.44Å; N1529-I1540 PolarHBondContact O-N 3Å; N1529-N2147 VanDerWaalsContact CA-CA 3.45Å; N1529-N2147 HydrophobicContact CB-CB 4.43Å; N1529-N2147 VanDerWaalsContact ND2-C 3.28Å; N1529-N2147 WeakPolarHBondContact ND2-CA 3.24Å; N1529-N2147 PolarHBondContact ND2-N 3.15Å; N1529-N2147 PolarHBondContact ND2-O 2.76Å; N1529-N2147 VanDerWaalsContact ND2-O 3.07Å; N1529-N2147 PolarHBondContact OD1-O 2.75Å; N1529-K2148 PolarHBondContact OD1-N 2.95Å; N1529-K2148 VanDerWaalsContact OD1-N 3.1Å
1530	W	64.4	Low	62.4	Low	89.4 Å²	89.4	58 Å²	58	34%	0.339	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.7	172	-174.2	27.6	0	0	0	111.1	I1447 I1509 I1510 I1528 L1537 F1538 F1539 K2148	I1447-W1530 HydrophobicContact CD1-CH2 3.23Å; I1447-W1530 HydrophobicContact CD1-CZ2 4.11Å; I1447-W1530 HydrophobicContact CD1-CZ3 3.77Å; I1447-W1530 HydrophobicContact CG1-CH2 4.07Å; I1509-W1530 CarbonylContact C-O 3.44Å; I1509-W1530 WeakPolarHBondContact CA-O 3.29Å; I1510-W1530 CarbonylContact C-O 3.49Å; I1510-W1530 WeakPolarHBondContact CA-O 3.35Å; I1510-W1530 HydrophobicContact CB-CB 4.25Å; I1510-W1530 HydrophobicContact CB-CD2 4.48Å; I1510-W1530 HydrophobicContact CB-CE3 4.2Å; I1510-W1530 HydrophobicContact CD1-CB 3.79Å; I1510-W1530 HydrophobicContact CD1-CD2 3.69Å; I1510-W1530 HydrophobicContact CD1-CE3 3.68Å; I1510-W1530 HydrophobicContact CD1-CG 3.48Å; I1510-W1530 VanDerWaalsContact CD1-CG 3.48Å; I1510-W1530 HydrophobicContact CD1-CH2 4.38Å; I1510-W1530 HydrophobicContact CD1-CZ3 3.61Å; I1510-W1530 VanDerWaalsContact CD1-CZ3 3.46Å; I1510-W1530 HydrophobicContact CG1-CB 4.27Å; I1510-W1530 HydrophobicContact CG1-CD2 4.42Å; I1510-W1530 HydrophobicContact CG1-CE3 4.14Å; I1510-W1530 HydrophobicContact CG1-CG 4.47Å; I1510-W1530 HydrophobicContact CG1-CZ3 4Å; I1510-W1530 HydrophobicContact CG2-CB 3.73Å; I1510-W1530 HydrophobicContact CG2-CD2 4.21Å; I1510-W1530 HydrophobicContact CG2-CE3 3.99Å; I1510-W1530 HydrophobicContact CG2-CG 4.18Å; I1510-W1530 PolarHBondContact N-O 3.01Å; I1510-W1530 CarbonylContact O-C 3.44Å; I1510-W1530 WeakPolarHBondContact O-CA 3.39Å; I1510-W1530 PolarHBondContact O-N 2.85Å; I1528-W1530 PolarHBondContact O-N 2.81Å; I1528-W1530 VanDerWaalsContact O-N 3.14Å; W1530-L1537 HydrophobicContact CZ2-CD2 4.33Å; W1530-F1538 CarbonylContact C-O 3.48Å; W1530-F1538 WeakPolarHBondContact CA-O 3.37Å; W1530-F1538 PolarHBondContact O-N 3.31Å; W1530-F1539 VanDerWaalsContact C-N 3.27Å; W1530-F1539 VanDerWaalsContact CA-N 3.3Å; W1530-F1539 HydrophobicContact CB-CD2 4.17Å; W1530-F1539 HydrophobicContact CB-CG 4.43Å; W1530-F1539 AromaticContact CD1-CD2 3.28Å; W1530-F1539 AromaticContact CD1-CE2 3.33Å; W1530-F1539 HydrophobicContact CD2-CE2 4.14Å; W1530-F1539 HydrophobicContact CD2-CZ 4.34Å; W1530-F1539 AromaticContact CE2-CE2 3.91Å; W1530-F1539 AromaticContact CG-CD2 3.94Å; W1530-F1539 HydrophobicContact CG-CD2 4.26Å; W1530-F1539 AromaticContact CG-CE2 3.8Å; W1530-F1539 HydrophobicContact CG-CE2 3.8Å; W1530-F1539 HydrophobicContact CG-CG 4.41Å; W1530-F1539 HydrophobicContact CG-CZ 4.18Å; W1530-F1539 AromaticContact NE1-CD2 3.73Å; W1530-F1539 AromaticContact NE1-CE2 3.39Å; W1530-F1539 PolarHBondContact O-N 2.8Å; W1530-K2148 HydrophobicContact CB-CB 3.87Å; W1530-K2148 HydrophobicContact CB-CG 3.37Å; W1530-K2148 HydrophobicContact CD2-CG 4.46Å; W1530-K2148 HydrophobicContact CE3-CD 4.14Å; W1530-K2148 HydrophobicContact CE3-CG 3.96Å; W1530-K2148 HydrophobicContact CG-CG 4.32Å
1531	K	66.4	Low	63.8	Low	70.8 Å²	70.8	56.9 Å²	56.9	31%	0.308	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116.5	-176.1	168.2	173.6	-149.1	171.2	0	112.2	S1508 I1509 I1510 N1511 I1533 S1536 L1537 F1538 N2147	S1508-K1531 CarbonylContact O-C 3.47Å; S1508-K1531 VanDerWaalsContact O-CA 3.3Å; S1508-K1531 WeakPolarHBondContact O-CA 3.3Å; I1509-K1531 HydrophobicContact CB-CG 4.46Å; I1509-K1531 HydrophobicContact CD1-CD 4.22Å; I1509-K1531 HydrophobicContact CD1-CG 4.36Å; I1509-K1531 HydrophobicContact CG1-CB 4.44Å; I1509-K1531 HydrophobicContact CG1-CD 4.31Å; I1509-K1531 HydrophobicContact CG1-CG 4.13Å; I1509-K1531 HydrophobicContact CG2-CB 4.07Å; I1509-K1531 HydrophobicContact CG2-CD 4.12Å; I1509-K1531 HydrophobicContact CG2-CG 4.12Å; I1510-K1531 VanDerWaalsContact CB-N 3.28Å; I1510-K1531 WeakPolarHBondContact O-CA 3.11Å; I1510-K1531 WeakPolarHBondContact O-CB 3.34Å; I1510-K1531 PolarHBondContact O-N 2.82Å; I1510-K1531 PolarHBondContact O-NZ 2.74Å; N1511-K1531 VanDerWaalsContact CG-NZ 3.3Å; N1511-K1531 PolarHBondContact OD1-NZ 2.73Å; K1531-I1533 HydrophobicContact CD-CD1 3.93Å; K1531-I1533 HydrophobicContact CD-CG1 4.34Å; K1531-I1533 HydrophobicContact CG-CD1 4.08Å; K1531-I1533 HydrophobicContact CG-CG1 4.01Å; K1531-S1536 VanDerWaalsContact O-O 3.1Å; K1531-L1537 CarbonylContact O-C 3.32Å; K1531-L1537 WeakPolarHBondContact O-CA 3.26Å; K1531-F1538 HydrophobicContact CB-CB 4.2Å; K1531-F1538 HydrophobicContact CD-CD2 4.32Å; K1531-F1538 HydrophobicContact CD-CE2 4.35Å; K1531-F1538 HydrophobicContact CG-CB 4.25Å; K1531-F1538 HydrophobicContact CG-CD2 3.96Å; K1531-F1538 HydrophobicContact CG-CE2 4.06Å; K1531-F1538 HydrophobicContact CG-CG 4.12Å; K1531-F1538 PolarHBondContact N-O 3Å; K1531-F1538 VanDerWaalsContact O-CB 3.31Å; K1531-F1538 WeakPolarHBondContact O-CB 3.39Å; K1531-F1538 WeakPolarHBondContact O-CD2 3.25Å; K1531-F1538 PolarHBondContact O-N 3.18Å; K1531-N2147 HydrophobicContact CB-CB 3.52Å; K1531-N2147 WeakPolarHBondContact CB-OD1 3.32Å; K1531-N2147 HydrophobicContact CD-CB 4.5Å; K1531-N2147 WeakPolarHBondContact CD-OD1 3.47Å; K1531-N2147 WeakPolarHBondContact CE-OD1 3.37Å; K1531-N2147 HydrophobicContact CG-CB 3.97Å; K1531-N2147 VanDerWaalsContact N-C 3.26Å; K1531-N2147 PolarHBondContact NZ-O 2.75Å; K1531-N2147 PolarHBondContact NZ-OD1 2.9Å
1532	S	61.3	Low	65.1	Low	26.8 Å²	26.8	51 Å²	51	19%	0.187	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	97.5	175.9	174.3	0	0	0	0	111	K1507 S1508 S1536	K1507-S1532 CarbonylContact C-O 3.52Å; K1507-S1532 WeakPolarHBondContact CB-O 3.36Å; S1508-S1532 CarbonylContact C-O 3.44Å; S1508-S1532 VanDerWaalsContact CA-O 3.29Å; S1508-S1532 WeakPolarHBondContact CA-O 3.33Å; S1508-S1532 PolarHBondContact N-O 2.96Å; S1508-S1532 VanDerWaalsContact N-O 3.1Å; S1508-S1532 CarbonylContact O-C 3.55Å; S1508-S1532 WeakPolarHBondContact O-CA 3.35Å; S1508-S1532 VanDerWaalsContact O-CB 3.26Å; S1508-S1532 WeakPolarHBondContact O-CB 3.32Å; S1508-S1532 PolarHBondContact O-N 2.88Å; S1508-S1532 VanDerWaalsContact OG-CB 3.24Å; S1508-S1532 WeakPolarHBondContact OG-CB 3.41Å; S1508-S1532 PolarHBondContact OG-O 2.84Å; S1508-S1532 PolarHBondContact OG-OG 2.83Å; S1532-S1536 CarbonylContact C-O 3.46Å; S1532-S1536 VanDerWaalsContact CA-O 3.26Å; S1532-S1536 WeakPolarHBondContact CA-O 3.22Å
1533	I	59.9	Low	66.3	Low	36.6 Å²	36.6	49.2 Å²	49.2	19%	0.188	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.8	177	-60.4	177.3	0	0	0	109.6	Y1506 K1507 I1509 K1531 H1535 S1536	Y1506-I1533 HydrophobicContact CD1-CD1 3.82Å; Y1506-I1533 HydrophobicContact CD1-CG2 4.01Å; Y1506-I1533 HydrophobicContact CG-CD1 3.88Å; Y1506-I1533 HydrophobicContact CG-CG1 4.41Å; Y1506-I1533 VanDerWaalsContact O-CA 3.25Å; Y1506-I1533 WeakPolarHBondContact O-CA 3.31Å; K1507-I1533 HydrophobicContact CB-CD1 3.84Å; K1507-I1533 HydrophobicContact CB-CG1 4.07Å; K1507-I1533 HydrophobicContact CD-CD1 3.91Å; K1507-I1533 VanDerWaalsContact CD-CD1 3.41Å; K1507-I1533 HydrophobicContact CD-CG1 4.17Å; K1507-I1533 HydrophobicContact CD-CG2 4.49Å; K1507-I1533 HydrophobicContact CG-CB 4.43Å; K1507-I1533 HydrophobicContact CG-CD1 3.54Å; K1507-I1533 HydrophobicContact CG-CG1 3.86Å; K1507-I1533 HydrophobicContact CG-CG2 4.09Å; I1509-I1533 HydrophobicContact CB-CG1 4.48Å; I1509-I1533 HydrophobicContact CD1-CD1 3.96Å; I1509-I1533 HydrophobicContact CD1-CG1 4.03Å; I1509-I1533 HydrophobicContact CG1-CD1 3.7Å; I1509-I1533 HydrophobicContact CG1-CG1 3.66Å; K1531-I1533 HydrophobicContact CD-CD1 3.93Å; K1531-I1533 HydrophobicContact CD-CG1 4.34Å; K1531-I1533 HydrophobicContact CG-CD1 4.08Å; K1531-I1533 HydrophobicContact CG-CG1 4.01Å; I1533-H1535 VanDerWaalsContact C-N 3.34Å; I1533-H1535 CarbonylContact O-C 3.34Å; I1533-H1535 PolarHBondContact O-N 2.92Å; I1533-H1535 VanDerWaalsContact O-N 3.14Å; I1533-S1536 PolarHBondContact N-O 3.07Å; I1533-S1536 CarbonylContact O-C 3.37Å; I1533-S1536 VanDerWaalsContact O-CA 3.26Å; I1533-S1536 WeakPolarHBondContact O-CA 3.4Å; I1533-S1536 WeakPolarHBondContact O-CB 3.25Å; I1533-S1536 PolarHBondContact O-N 2.86Å; I1533-S1536 VanDerWaalsContact O-O 3.1Å; I1533-S1536 PolarHBondContact O-OG 3.11Å
1534	N	59.2	Low	67.1	Low	108 Å²	108	48.3 Å²	48.3	58%	0.578	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	25.7	68.7	163.7	-73	-18.5	0	0	0	113.8	K1507 S1536	K1507-N1534 WeakPolarHBondContact CD-OD1 3.31Å; K1507-N1534 WeakPolarHBondContact CE-OD1 3.42Å; K1507-N1534 WeakPolarHBondContact CG-OD1 3.31Å; K1507-N1534 PolarHBondContact NZ-OD1 3.35Å; N1534-S1536 VanDerWaalsContact C-N 3.32Å; N1534-S1536 PolarHBondContact O-N 2.91Å
1535	H	59.8	Low	67.6	Low	74.4 Å²	74.4	49.3 Å²	49.3	34%	0.344	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	22.2	178.8	-54	89.6	0	0	0	116.1	C1451 K1507 I1533 R1558 W1559 H1560 N1561	C1451-H1535 PolarHBondContact O-CE1 2.87Å; K1507-H1535 PolarHBondContact NZ-NE2 3.5Å; I1533-H1535 VanDerWaalsContact C-N 3.34Å; I1533-H1535 CarbonylContact O-C 3.34Å; I1533-H1535 PolarHBondContact O-N 2.92Å; I1533-H1535 VanDerWaalsContact O-N 3.14Å; H1535-R1558 CarbonylContact O-C 3.22Å; H1535-R1558 VanDerWaalsContact O-C 3.26Å; H1535-R1558 WeakPolarHBondContact O-CA 3.36Å; H1535-R1558 VanDerWaalsContact O-CB 3.31Å; H1535-R1558 WeakPolarHBondContact O-CB 3.42Å; H1535-W1559 VanDerWaalsContact CA-O 3.31Å; H1535-W1559 WeakPolarHBondContact CA-O 3.32Å; H1535-W1559 HydrophobicContact CB-CB 4.31Å; H1535-W1559 WeakPolarHBondContact CB-O 3.34Å; H1535-W1559 PolarHBondContact CD2-O 3.11Å; H1535-W1559 VanDerWaalsContact CG-O 3.27Å; H1535-W1559 PolarHBondContact ND1-O 3.13Å; H1535-W1559 CarbonylContact O-C 3.35Å; H1535-W1559 PolarHBondContact O-N 3.21Å; H1535-H1560 HydrophobicContact CB-CB 4.28Å; H1535-H1560 WeakPolarHBondContact CB-ND1 3.34Å; H1535-N1561 PolarHBondContact CD2-ND2 2.81Å; H1535-N1561 PolarHBondContact CD2-OD1 2.83Å; H1535-N1561 PolarHBondContact CE1-OD1 2.85Å; H1535-N1561 PolarHBondContact ND1-N 3.17Å; H1535-N1561 PolarHBondContact ND1-OD1 2.78Å; H1535-N1561 PolarHBondContact NE2-ND2 3.11Å
1536	S	64.8	Low	67.3	Low	17.2 Å²	17.2	49 Å²	49	12%	0.12	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	120	176.7	62	0	0	0	0	112.7	K1531 S1532 I1533 N1534 F1538 H1557	K1531-S1536 VanDerWaalsContact O-O 3.1Å; S1532-S1536 CarbonylContact C-O 3.46Å; S1532-S1536 VanDerWaalsContact CA-O 3.26Å; S1532-S1536 WeakPolarHBondContact CA-O 3.22Å; I1533-S1536 PolarHBondContact N-O 3.07Å; I1533-S1536 CarbonylContact O-C 3.37Å; I1533-S1536 VanDerWaalsContact O-CA 3.26Å; I1533-S1536 WeakPolarHBondContact O-CA 3.4Å; I1533-S1536 WeakPolarHBondContact O-CB 3.25Å; I1533-S1536 PolarHBondContact O-N 2.86Å; I1533-S1536 VanDerWaalsContact O-O 3.1Å; I1533-S1536 PolarHBondContact O-OG 3.11Å; N1534-S1536 VanDerWaalsContact C-N 3.32Å; N1534-S1536 PolarHBondContact O-N 2.91Å; S1536-F1538 WeakPolarHBondContact O-CD2 3.38Å; S1536-F1538 WeakPolarHBondContact O-CE2 3.36Å; S1536-F1538 VanDerWaalsContact OG-CE2 3.28Å; S1536-F1538 WeakPolarHBondContact OG-CE2 3.32Å; S1536-H1557 CarbonylContact C-O 3.5Å; S1536-H1557 VanDerWaalsContact CA-O 3.24Å; S1536-H1557 WeakPolarHBondContact CA-O 3.27Å
1537	L	70.2	Confident	67	Low	51.4 Å²	51.4	50.6 Å²	50.6	27%	0.269	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.4	171.2	-103.9	155.2	0	0	0	109.2	W1530 K1531 F1539 F1555 K1556 H1557 W1559	W1530-L1537 HydrophobicContact CZ2-CD2 4.33Å; K1531-L1537 CarbonylContact O-C 3.32Å; K1531-L1537 WeakPolarHBondContact O-CA 3.26Å; L1537-F1539 HydrophobicContact CD2-CB 4.42Å; L1537-F1539 HydrophobicContact CD2-CD2 4.37Å; L1537-F1555 HydrophobicContact CB-CE1 4.4Å; L1537-F1555 HydrophobicContact CD2-CD1 4.13Å; L1537-F1555 HydrophobicContact CD2-CE1 3.77Å; L1537-K1556 CarbonylContact O-C 3.54Å; L1537-K1556 VanDerWaalsContact O-CA 3.29Å; L1537-K1556 WeakPolarHBondContact O-CA 3.43Å; L1537-H1557 CarbonylContact C-O 3.59Å; L1537-H1557 WeakPolarHBondContact CA-O 3.2Å; L1537-H1557 HydrophobicContact CB-CB 4.3Å; L1537-H1557 WeakPolarHBondContact CB-O 3.42Å; L1537-H1557 HydrophobicContact CD2-CB 4.12Å; L1537-H1557 PolarHBondContact N-O 3.13Å; L1537-H1557 CarbonylContact O-C 3.54Å; L1537-H1557 WeakPolarHBondContact O-CA 3.01Å; L1537-H1557 PolarHBondContact O-N 3.15Å; L1537-W1559 HydrophobicContact CB-CE3 4.38Å; L1537-W1559 HydrophobicContact CB-CH2 4.23Å; L1537-W1559 HydrophobicContact CB-CZ3 3.72Å; L1537-W1559 HydrophobicContact CD1-CH2 3.83Å; L1537-W1559 HydrophobicContact CD1-CZ3 3.71Å; L1537-W1559 HydrophobicContact CG-CZ3 4.34Å
1538	F	72.8	Confident	66.8	Low	51.4 Å²	51.4	52.7 Å²	52.7	23%	0.225	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.1	176.7	-66.8	-103	0	0	0	109.8	W1530 K1531 S1536 F1555 K1556 E2146 N2147	W1530-F1538 CarbonylContact C-O 3.48Å; W1530-F1538 WeakPolarHBondContact CA-O 3.37Å; W1530-F1538 PolarHBondContact O-N 3.31Å; K1531-F1538 HydrophobicContact CB-CB 4.2Å; K1531-F1538 HydrophobicContact CD-CD2 4.32Å; K1531-F1538 HydrophobicContact CD-CE2 4.35Å; K1531-F1538 HydrophobicContact CG-CB 4.25Å; K1531-F1538 HydrophobicContact CG-CD2 3.96Å; K1531-F1538 HydrophobicContact CG-CE2 4.06Å; K1531-F1538 HydrophobicContact CG-CG 4.12Å; K1531-F1538 PolarHBondContact N-O 3Å; K1531-F1538 VanDerWaalsContact O-CB 3.31Å; K1531-F1538 WeakPolarHBondContact O-CB 3.39Å; K1531-F1538 WeakPolarHBondContact O-CD2 3.25Å; K1531-F1538 PolarHBondContact O-N 3.18Å; S1536-F1538 WeakPolarHBondContact O-CD2 3.38Å; S1536-F1538 WeakPolarHBondContact O-CE2 3.36Å; S1536-F1538 VanDerWaalsContact OG-CE2 3.28Å; S1536-F1538 WeakPolarHBondContact OG-CE2 3.32Å; F1538-F1555 CarbonylContact C-O 3.48Å; F1538-F1555 WeakPolarHBondContact CA-O 3.36Å; F1538-F1555 CarbonylContact O-C 3.55Å; F1538-F1555 VanDerWaalsContact O-C 3.26Å; F1538-F1555 VanDerWaalsContact O-O 3.08Å; F1538-K1556 HydrophobicContact CB-CB 4.31Å; F1538-K1556 HydrophobicContact CB-CG 4.24Å; F1538-K1556 HydrophobicContact CD1-CB 4.24Å; F1538-K1556 HydrophobicContact CD1-CD 3.84Å; F1538-K1556 VanDerWaalsContact CD1-CD 3.44Å; F1538-K1556 HydrophobicContact CD1-CG 3.71Å; F1538-K1556 HydrophobicContact CE1-CB 4.35Å; F1538-K1556 HydrophobicContact CE1-CD 3.56Å; F1538-K1556 VanDerWaalsContact CE1-CD 3.42Å; F1538-K1556 VanDerWaalsContact CE1-CE 3.43Å; F1538-K1556 HydrophobicContact CE1-CG 3.76Å; F1538-K1556 VanDerWaalsContact CE1-CG 3.48Å; F1538-K1556 HydrophobicContact CG-CB 4.39Å; F1538-K1556 HydrophobicContact CG-CD 4.19Å; F1538-K1556 HydrophobicContact CG-CG 3.96Å; F1538-K1556 HydrophobicContact CZ-CD 4.28Å; F1538-K1556 HydrophobicContact CZ-CG 4.3Å; F1538-K1556 WeakPolarHBondContact O-CA 3.5Å; F1538-K1556 WeakPolarHBondContact O-CB 3.48Å; F1538-K1556 PolarHBondContact O-N 3.14Å; F1538-E2146 WeakPolarHBondContact O-CG 2.86Å; F1538-N2147 HydrophobicContact CB-CB 3.17Å; F1538-N2147 WeakPolarHBondContact CB-ND2 3.12Å; F1538-N2147 WeakPolarHBondContact CD1-ND2 2.82Å; F1538-N2147 HydrophobicContact CG-CB 4.22Å; F1538-N2147 VanDerWaalsContact CG-ND2 3.34Å; F1538-N2147 WeakPolarHBondContact CG-ND2 2.96Å
1539	F	75	Confident	66.9	Low	47.4 Å²	47.4	53 Å²	53	21%	0.208	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	125.9	-179.5	-170.7	-97.4	0	0	0	110.9	I1528 N1529 W1530 L1537 I1541 Y1553 F1555 E2146 N2147	I1528-F1539 HydrophobicContact CG2-CD1 4.41Å; I1528-F1539 HydrophobicContact CG2-CD2 4.29Å; I1528-F1539 HydrophobicContact CG2-CE1 3.97Å; I1528-F1539 HydrophobicContact CG2-CE2 3.68Å; I1528-F1539 HydrophobicContact CG2-CZ 4.3Å; N1529-F1539 VanDerWaalsContact C-CA 3.5Å; N1529-F1539 CarbonylContact O-C 3.48Å; N1529-F1539 WeakPolarHBondContact O-CA 3.31Å; N1529-F1539 WeakPolarHBondContact O-CD1 3.23Å; W1530-F1539 VanDerWaalsContact C-N 3.27Å; W1530-F1539 VanDerWaalsContact CA-N 3.3Å; W1530-F1539 HydrophobicContact CB-CD2 4.17Å; W1530-F1539 HydrophobicContact CB-CG 4.43Å; W1530-F1539 AromaticContact CD1-CD2 3.28Å; W1530-F1539 AromaticContact CD1-CE2 3.33Å; W1530-F1539 HydrophobicContact CD2-CE2 4.14Å; W1530-F1539 HydrophobicContact CD2-CZ 4.34Å; W1530-F1539 AromaticContact CE2-CE2 3.91Å; W1530-F1539 AromaticContact CG-CD2 3.94Å; W1530-F1539 HydrophobicContact CG-CD2 4.26Å; W1530-F1539 AromaticContact CG-CE2 3.8Å; W1530-F1539 HydrophobicContact CG-CE2 3.8Å; W1530-F1539 HydrophobicContact CG-CG 4.41Å; W1530-F1539 HydrophobicContact CG-CZ 4.18Å; W1530-F1539 AromaticContact NE1-CD2 3.73Å; W1530-F1539 AromaticContact NE1-CE2 3.39Å; W1530-F1539 PolarHBondContact O-N 2.8Å; L1537-F1539 HydrophobicContact CD2-CB 4.42Å; L1537-F1539 HydrophobicContact CD2-CD2 4.37Å; F1539-I1541 HydrophobicContact CD1-CG1 4.33Å; F1539-I1541 HydrophobicContact CE1-CD1 3.44Å; F1539-I1541 VanDerWaalsContact CE1-CD1 3.43Å; F1539-I1541 HydrophobicContact CE1-CG1 3.44Å; F1539-I1541 VanDerWaalsContact CE1-CG1 3.5Å; F1539-I1541 HydrophobicContact CE2-CG1 4.37Å; F1539-I1541 HydrophobicContact CZ-CD1 3.56Å; F1539-I1541 HydrophobicContact CZ-CG1 3.47Å; F1539-I1541 VanDerWaalsContact CZ-CG1 3.46Å; F1539-Y1553 AromaticContact CD1-CD1 3.78Å; F1539-Y1553 HydrophobicContact CD1-CD1 4.06Å; F1539-Y1553 AromaticContact CD1-CE1 3.78Å; F1539-Y1553 HydrophobicContact CD1-CE1 3.87Å; F1539-Y1553 AromaticContact CE1-CD1 3.89Å; F1539-Y1553 HydrophobicContact CE1-CD1 4.05Å; F1539-Y1553 AromaticContact CE1-CE1 3.76Å; F1539-Y1553 HydrophobicContact CE1-CE1 4.05Å; F1539-F1555 HydrophobicContact CB-CB 4.1Å; F1539-F1555 HydrophobicContact CB-CD1 4.13Å; F1539-F1555 HydrophobicContact CB-CG 4.09Å; F1539-F1555 HydrophobicContact CD1-CB 4.3Å; F1539-F1555 HydrophobicContact CD2-CD1 4.35Å; F1539-F1555 HydrophobicContact CG-CD1 4.5Å; F1539-F1555 PolarHBondContact N-O 3.22Å; F1539-F1555 WeakPolarHBondContact O-CA 3.41Å; F1539-F1555 WeakPolarHBondContact O-CB 3.29Å; F1539-F1555 PolarHBondContact O-N 2.97Å; F1539-E2146 VanDerWaalsContact C-CB 3.48Å; F1539-E2146 HydrophobicContact CB-CG 3.95Å; F1539-E2146 VanDerWaalsContact CB-OE1 3.26Å; F1539-E2146 WeakPolarHBondContact CB-OE1 2.89Å; F1539-E2146 CarbonylContact O-C 3.54Å; F1539-E2146 WeakPolarHBondContact O-CA 3.16Å; F1539-E2146 WeakPolarHBondContact O-CB 3.2Å; F1539-E2146 WeakPolarHBondContact O-CG 3.23Å; F1539-N2147 WeakPolarHBondContact O-CA 3.29Å; F1539-N2147 WeakPolarHBondContact O-CB 3.24Å; F1539-N2147 PolarHBondContact O-N 2.88Å
1540	I	74.9	Confident	67.4	Low	40 Å²	40	52.5 Å²	52.5	21%	0.205	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.8	176.8	-59.3	174.3	0	0	0	106.6	L1527 I1528 N1529 N1542 Y1553 H1554 E2146 N2147	L1527-I1540 HydrophobicContact CB-CB 4.3Å; L1527-I1540 HydrophobicContact CB-CD1 4.32Å; L1527-I1540 HydrophobicContact CB-CG2 3.74Å; L1527-I1540 HydrophobicContact CD2-CD1 3.58Å; L1527-I1540 HydrophobicContact CD2-CG2 4.31Å; L1527-I1540 VanDerWaalsContact O-CG2 3.3Å; L1527-I1540 WeakPolarHBondContact O-CG2 3.44Å; I1528-I1540 CarbonylContact C-O 3.47Å; I1528-I1540 VanDerWaalsContact CA-O 3.29Å; I1528-I1540 WeakPolarHBondContact CA-O 3.33Å; N1529-I1540 VanDerWaalsContact CA-N 3.34Å; N1529-I1540 HydrophobicContact CB-CB 4.04Å; N1529-I1540 HydrophobicContact CB-CD1 3.85Å; N1529-I1540 HydrophobicContact CB-CG1 3.47Å; N1529-I1540 VanDerWaalsContact CB-CG1 3.47Å; N1529-I1540 HydrophobicContact CB-CG2 4.34Å; N1529-I1540 PolarHBondContact N-O 2.96Å; N1529-I1540 WeakPolarHBondContact ND2-CD1 3.44Å; N1529-I1540 PolarHBondContact O-N 3Å; I1540-N1542 HydrophobicContact CG2-CB 3.42Å; I1540-N1542 VanDerWaalsContact CG2-CB 3.42Å; I1540-Y1553 CarbonylContact C-O 3.42Å; I1540-Y1553 VanDerWaalsContact CA-O 3.29Å; I1540-Y1553 WeakPolarHBondContact CA-O 3.37Å; I1540-H1554 HydrophobicContact CG1-CB 4.38Å; I1540-H1554 WeakPolarHBondContact CG1-ND1 3.39Å; I1540-H1554 WeakPolarHBondContact CG1-NE2 3.17Å; I1540-H1554 VanDerWaalsContact CG2-CD2 3.44Å; I1540-H1554 WeakPolarHBondContact CG2-CD2 2.98Å; I1540-H1554 VanDerWaalsContact CG2-CE1 3.44Å; I1540-H1554 WeakPolarHBondContact CG2-CE1 3.43Å; I1540-H1554 WeakPolarHBondContact CG2-NE2 2.91Å; I1540-E2146 VanDerWaalsContact C-CD 3.48Å; I1540-E2146 VanDerWaalsContact CA-CB 3.42Å; I1540-E2146 VanDerWaalsContact CA-CG 3.44Å; I1540-E2146 WeakPolarHBondContact CA-OE2 3.22Å; I1540-E2146 HydrophobicContact CB-CB 3.91Å; I1540-E2146 HydrophobicContact CB-CG 4.48Å; I1540-E2146 HydrophobicContact CG1-CB 3.47Å; I1540-E2146 VanDerWaalsContact CG1-CB 3.47Å; I1540-E2146 VanDerWaalsContact N-CD 3.27Å; I1540-E2146 PolarHBondContact N-OE2 2.8Å; I1540-N2147 VanDerWaalsContact CG1-N 3.27Å
1541	I	74	Confident	68	Low	35.2 Å²	35.2	50.3 Å²	50.3	18%	0.181	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	108.4	162.5	-53.8	176.1	0	0	0	106.9	L1526 L1527 I1528 F1539 C1543 Y1553 E2146	L1526-I1541 HydrophobicContact CD1-CB 4.13Å; L1526-I1541 HydrophobicContact CD1-CG2 3.81Å; L1526-I1541 VanDerWaalsContact CD1-CG2 3.41Å; L1526-I1541 HydrophobicContact CD2-CG2 4.49Å; L1527-I1541 CarbonylContact O-C 3.38Å; L1527-I1541 WeakPolarHBondContact O-CA 3.31Å; I1528-I1541 HydrophobicContact CG1-CB 4.41Å; I1528-I1541 HydrophobicContact CG1-CG1 4.31Å; I1528-I1541 HydrophobicContact CG1-CG2 4.33Å; I1528-I1541 HydrophobicContact CG2-CG1 4.18Å; F1539-I1541 HydrophobicContact CD1-CG1 4.33Å; F1539-I1541 HydrophobicContact CE1-CD1 3.44Å; F1539-I1541 VanDerWaalsContact CE1-CD1 3.43Å; F1539-I1541 HydrophobicContact CE1-CG1 3.44Å; F1539-I1541 VanDerWaalsContact CE1-CG1 3.5Å; F1539-I1541 HydrophobicContact CE2-CG1 4.37Å; F1539-I1541 HydrophobicContact CZ-CD1 3.56Å; F1539-I1541 HydrophobicContact CZ-CG1 3.47Å; F1539-I1541 VanDerWaalsContact CZ-CG1 3.46Å; I1541-C1543 HydrophobicContact CG2-CB 4.03Å; I1541-Y1553 CarbonylContact C-O 3.45Å; I1541-Y1553 HydrophobicContact CB-CD1 3.82Å; I1541-Y1553 HydrophobicContact CB-CG 4.33Å; I1541-Y1553 HydrophobicContact CD1-CD1 4.18Å; I1541-Y1553 HydrophobicContact CD1-CE1 4.11Å; I1541-Y1553 HydrophobicContact CG1-CD1 4.15Å; I1541-Y1553 HydrophobicContact CG1-CE1 4.37Å; I1541-Y1553 PolarHBondContact N-O 3.03Å; I1541-Y1553 VanDerWaalsContact N-O 3.13Å; I1541-Y1553 PolarHBondContact O-N 3.03Å; I1541-Y1553 VanDerWaalsContact O-O 3.1Å; I1541-E2146 PolarHBondContact N-OE2 3.04Å
1542	N	76.5	Confident	68.7	Low	35.8 Å²	35.8	48.4 Å²	48.4	19%	0.191	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.6	165.8	-159.3	0.3	0	0	0	108	H1525 L1526 L1527 I1540 H1550 L1551 I1552	H1525-N1542 VanDerWaalsContact O-O 3.05Å; L1526-N1542 CarbonylContact C-O 3.52Å; L1526-N1542 WeakPolarHBondContact CA-O 3.22Å; L1527-N1542 HydrophobicContact CB-CB 4.35Å; L1527-N1542 HydrophobicContact CD2-CB 4.38Å; L1527-N1542 PolarHBondContact N-O 3.21Å; L1527-N1542 PolarHBondContact O-N 3.34Å; I1540-N1542 HydrophobicContact CG2-CB 3.42Å; I1540-N1542 VanDerWaalsContact CG2-CB 3.42Å; N1542-H1550 PolarHBondContact OD1-CD2 3.27Å; N1542-H1550 PolarHBondContact OD1-NE2 3.2Å; N1542-L1551 WeakPolarHBondContact CA-O 3.25Å; N1542-L1551 PolarHBondContact OD1-O 3.48Å; N1542-I1552 HydrophobicContact CB-CG2 3.86Å
1543	C	73.3	Confident	69.6	Low	24.6 Å²	24.6	49.5 Å²	49.5	17%	0.166	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	102.6	-178.5	177.3	0	0	0	0	109.6	H1525 L1526 I1541 I1545 H1550 L1551	H1525-C1543 CarbonylContact O-C 3.49Å; H1525-C1543 VanDerWaalsContact O-CA 3.23Å; H1525-C1543 WeakPolarHBondContact O-CA 3.27Å; L1526-C1543 HydrophobicContact CB-CB 3.49Å; L1526-C1543 VanDerWaalsContact CB-CB 3.49Å; L1526-C1543 HydrophobicContact CD1-CB 3.81Å; L1526-C1543 HydrophobicContact CD2-CB 4.05Å; L1526-C1543 HydrophobicContact CG-CB 3.65Å; I1541-C1543 HydrophobicContact CG2-CB 4.03Å; C1543-I1545 VanDerWaalsContact O-CB 3.32Å; C1543-I1545 WeakPolarHBondContact O-CB 3.48Å; C1543-I1545 WeakPolarHBondContact O-CD1 3.47Å; C1543-I1545 WeakPolarHBondContact O-CG1 3.34Å; C1543-I1545 PolarHBondContact O-N 2.76Å; C1543-I1545 WeakPolarHBondContact SG-CD1 3.26Å; C1543-H1550 CarbonylContact O-C 3.57Å; C1543-H1550 WeakPolarHBondContact O-CA 3.39Å; C1543-H1550 PolarHBondContact O-ND1 2.93Å; C1543-H1550 VanDerWaalsContact O-ND1 3.14Å; C1543-L1551 HydrophobicContact CB-CB 4.4Å; C1543-L1551 PolarHBondContact N-O 3.13Å; C1543-L1551 PolarHBondContact O-N 2.89Å
1544	K	70.5	Confident	70.7	Confident	72.6 Å²	72.6	50.6 Å²	50.6	32%	0.316	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111.6	174.7	-167.9	-179	179.8	-163.5	0	109.4	E1523 N1524 H1525 S1546 H1550 F1577	E1523-K1544 VanDerWaalsContact O-CD 3.27Å; E1523-K1544 WeakPolarHBondContact O-CD 3.18Å; E1523-K1544 WeakPolarHBondContact O-CE 3.36Å; E1523-K1544 WeakPolarHBondContact O-CG 3.21Å; E1523-K1544 PolarHBondContact O-NZ 2.67Å; E1523-K1544 IonicContact OE2-NZ 3.44Å; E1523-K1544 PolarHBondContact OE2-NZ 3.11Å; N1524-K1544 CarbonylContact C-O 3.41Å; N1524-K1544 VanDerWaalsContact CA-C 3.48Å; N1524-K1544 VanDerWaalsContact CA-O 3.26Å; N1524-K1544 WeakPolarHBondContact CA-O 3.31Å; N1524-K1544 PolarHBondContact OD1-O 2.97Å; H1525-K1544 VanDerWaalsContact CE1-CB 3.41Å; H1525-K1544 WeakPolarHBondContact CE1-CB 3.32Å; H1525-K1544 WeakPolarHBondContact CE1-CD 3.39Å; H1525-K1544 PolarHBondContact N-O 3.08Å; H1525-K1544 VanDerWaalsContact N-O 3.16Å; H1525-K1544 WeakPolarHBondContact NE2-CB 3.19Å; H1525-K1544 PolarHBondContact O-N 3.01Å; K1544-S1546 PolarHBondContact O-N 2.86Å; K1544-H1550 HydrophobicContact CG-CB 4.36Å; K1544-F1577 HydrophobicContact CG-CE2 4.21Å; K1544-F1577 HydrophobicContact CG-CZ 4.15Å
1545	I	68	Low	71.6	Confident	54.2 Å²	54.2	47.6 Å²	47.6	28%	0.278	24%	0.241	S	C	.	.			trans	-111.1	104.9	174.3	-62.3	172.2	0	0	0	103.3	N1524 C1543 S1547 F1548 I1549	N1524-I1545 VanDerWaalsContact CG-CA 3.47Å; N1524-I1545 WeakPolarHBondContact OD1-CA 3.39Å; N1524-I1545 PolarHBondContact OD1-N 2.84Å; C1543-I1545 VanDerWaalsContact O-CB 3.32Å; C1543-I1545 WeakPolarHBondContact O-CB 3.48Å; C1543-I1545 WeakPolarHBondContact O-CD1 3.47Å; C1543-I1545 WeakPolarHBondContact O-CG1 3.34Å; C1543-I1545 PolarHBondContact O-N 2.76Å; C1543-I1545 WeakPolarHBondContact SG-CD1 3.26Å; I1545-S1547 WeakPolarHBondContact CG2-OG 3.39Å; I1545-S1547 PolarHBondContact O-N 3.08Å; I1545-F1548 HydrophobicContact CG2-CB 4.23Å; I1545-F1548 PolarHBondContact O-N 3Å; I1545-F1548 VanDerWaalsContact O-N 3.11Å; I1545-I1549 CarbonylContact C-O 3.56Å; I1545-I1549 WeakPolarHBondContact CA-O 3.31Å; I1545-I1549 HydrophobicContact CD1-CG2 4.24Å; I1545-I1549 HydrophobicContact CG2-CB 4.3Å; I1545-I1549 HydrophobicContact CG2-CG2 3.11Å; I1545-I1549 WeakPolarHBondContact CG2-O 2.97Å; I1545-I1549 PolarHBondContact N-O 3.04Å; I1545-I1549 VanDerWaalsContact N-O 3.11Å; I1545-I1549 PolarHBondContact O-N 3.08Å; I1545-I1549 VanDerWaalsContact O-N 3.11Å; I1545-I1549 VanDerWaalsContact O-O 3.07Å
1546	S	60.4	Low	72.7	Confident	40.4 Å²	40.4	46.9 Å²	46.9	28%	0.283	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-19	179.7	60.6	0	0	0	0	116.4	I1522 N1524 K1544	I1522-S1546 VanDerWaalsContact CA-OG 3.32Å; I1522-S1546 WeakPolarHBondContact CA-OG 3.25Å; I1522-S1546 VanDerWaalsContact CG2-CB 3.45Å; I1522-S1546 VanDerWaalsContact CG2-N 3.28Å; I1522-S1546 WeakPolarHBondContact CG2-OG 3.27Å; N1524-S1546 WeakPolarHBondContact OD1-CB 3.14Å; N1524-S1546 PolarHBondContact OD1-N 2.95Å; N1524-S1546 VanDerWaalsContact OD1-N 3.1Å; N1524-S1546 PolarHBondContact OD1-OG 3Å; K1544-S1546 PolarHBondContact O-N 2.86Å
1547	S	58.2	Low	73.3	Confident	76.4 Å²	76.4	48.1 Å²	48.1	53%	0.534	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-17.4	176.6	71.2	0	0	0	0	116	I1545	I1545-S1547 WeakPolarHBondContact CG2-OG 3.39Å; I1545-S1547 PolarHBondContact O-N 3.08Å
1548	F	60.8	Low	73.6	Confident	87.6 Å²	87.6	50.9 Å²	50.9	38%	0.384	25%	0.248	S	C	.	.	S	Bend	trans	-131.6	-69.9	-170.5	-165.5	-119.3	0	0	0	113.6	I1545 F1577 L1578	I1545-F1548 HydrophobicContact CG2-CB 4.23Å; I1545-F1548 PolarHBondContact O-N 3Å; I1545-F1548 VanDerWaalsContact O-N 3.11Å; F1548-F1577 PolarHBondContact O-N 2.9Å; F1548-F1577 VanDerWaalsContact O-N 3.07Å; F1548-L1578 HydrophobicContact CD2-CD1 4.14Å; F1548-L1578 HydrophobicContact CE2-CD1 3.75Å
1549	I	68.2	Low	73.3	Confident	35.4 Å²	35.4	53.6 Å²	53.6	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	136.8	-164.1	-86.4	-178.4	0	0	0	110	I1545 L1551 V1574 Q1575	I1545-I1549 CarbonylContact C-O 3.56Å; I1545-I1549 WeakPolarHBondContact CA-O 3.31Å; I1545-I1549 HydrophobicContact CD1-CG2 4.24Å; I1545-I1549 HydrophobicContact CG2-CB 4.3Å; I1545-I1549 HydrophobicContact CG2-CG2 3.11Å; I1545-I1549 WeakPolarHBondContact CG2-O 2.97Å; I1545-I1549 PolarHBondContact N-O 3.04Å; I1545-I1549 VanDerWaalsContact N-O 3.11Å; I1545-I1549 PolarHBondContact O-N 3.08Å; I1545-I1549 VanDerWaalsContact O-N 3.11Å; I1545-I1549 VanDerWaalsContact O-O 3.07Å; I1549-L1551 HydrophobicContact CG2-CB 4.21Å; I1549-V1574 HydrophobicContact CD1-CG1 4.36Å; I1549-V1574 HydrophobicContact CG1-CG1 4.35Å; I1549-V1574 HydrophobicContact CG2-CG1 3.71Å; I1549-Q1575 CarbonylContact C-O 3.52Å; I1549-Q1575 VanDerWaalsContact CA-O 3.27Å; I1549-Q1575 WeakPolarHBondContact CA-O 3.35Å
1550	H	76.5	Confident	72.8	Confident	26.6 Å²	26.6	55.7 Å²	55.7	12%	0.123	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.6	161.3	-176.3	-172.9	0	0	0	110.7	N1542 C1543 K1544 I1552 S1573 V1574 Q1575 F1577	N1542-H1550 PolarHBondContact OD1-CD2 3.27Å; N1542-H1550 PolarHBondContact OD1-NE2 3.2Å; C1543-H1550 CarbonylContact O-C 3.57Å; C1543-H1550 WeakPolarHBondContact O-CA 3.39Å; C1543-H1550 PolarHBondContact O-ND1 2.93Å; C1543-H1550 VanDerWaalsContact O-ND1 3.14Å; K1544-H1550 HydrophobicContact CG-CB 4.36Å; H1550-I1552 VanDerWaalsContact CE1-CD1 3.45Å; H1550-I1552 WeakPolarHBondContact CE1-CD1 3.33Å; H1550-I1552 WeakPolarHBondContact NE2-CG1 3.25Å; H1550-S1573 PolarHBondContact CD2-O 2.84Å; H1550-V1574 CarbonylContact O-C 3.33Å; H1550-V1574 WeakPolarHBondContact O-CA 3.23Å; H1550-Q1575 WeakPolarHBondContact CA-O 3.44Å; H1550-Q1575 HydrophobicContact CB-CB 4.01Å; H1550-Q1575 HydrophobicContact CB-CG 3.96Å; H1550-Q1575 WeakPolarHBondContact CB-O 3.17Å; H1550-Q1575 PolarHBondContact CE1-NE2 3.26Å; H1550-Q1575 PolarHBondContact CE1-OE1 2.75Å; H1550-Q1575 PolarHBondContact N-O 3.07Å; H1550-Q1575 PolarHBondContact ND1-OE1 3.16Å; H1550-Q1575 PolarHBondContact NE2-NE2 2.91Å; H1550-Q1575 WeakPolarHBondContact O-CG 3.3Å; H1550-Q1575 PolarHBondContact O-N 3.04Å; H1550-F1577 HydrophobicContact CB-CD2 4.31Å; H1550-F1577 HydrophobicContact CB-CE2 3.82Å; H1550-F1577 HydrophobicContact CB-CZ 3.73Å; H1550-F1577 AromaticContact ND1-CE2 3.67Å
1551	L	78.2	Confident	71.9	Confident	44.2 Å²	44.2	57.4 Å²	57.4	23%	0.231	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115	179.6	-174.9	153.9	0	0	0	109.9	N1542 C1543 I1549 Y1553 L1572 S1573 V1574	N1542-L1551 WeakPolarHBondContact CA-O 3.25Å; N1542-L1551 PolarHBondContact OD1-O 3.48Å; C1543-L1551 HydrophobicContact CB-CB 4.4Å; C1543-L1551 PolarHBondContact N-O 3.13Å; C1543-L1551 PolarHBondContact O-N 2.89Å; I1549-L1551 HydrophobicContact CG2-CB 4.21Å; L1551-Y1553 PolarHBondContact O-N 2.86Å; L1551-Y1553 VanDerWaalsContact O-N 3.07Å; L1551-L1572 HydrophobicContact CD1-CD1 4.35Å; L1551-L1572 HydrophobicContact CD2-CD1 4.22Å; L1551-L1572 HydrophobicContact CD2-CG 3.9Å; L1551-L1572 HydrophobicContact CG-CD1 4.24Å; L1551-L1572 HydrophobicContact CG-CG 4.3Å; L1551-S1573 CarbonylContact C-O 3.44Å; L1551-S1573 WeakPolarHBondContact CA-O 3.23Å; L1551-V1574 HydrophobicContact CB-CB 4.31Å; L1551-V1574 HydrophobicContact CB-CG1 3.7Å; L1551-V1574 HydrophobicContact CD1-CG1 3.44Å; L1551-V1574 VanDerWaalsContact CD1-CG1 3.44Å; L1551-V1574 HydrophobicContact CD1-CG2 4.29Å; L1551-V1574 HydrophobicContact CG-CB 4.1Å; L1551-V1574 HydrophobicContact CG-CG1 3.38Å; L1551-V1574 HydrophobicContact CG-CG2 4.16Å
1552	I	79.8	Confident	71.1	Confident	30 Å²	30	61.3 Å²	61.3	15%	0.154	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.7	174.4	-46.3	172.4	0	0	0	107.8	N1542 H1550 H1554 M1571 L1572 S1573	N1542-I1552 HydrophobicContact CB-CG2 3.86Å; H1550-I1552 VanDerWaalsContact CE1-CD1 3.45Å; H1550-I1552 WeakPolarHBondContact CE1-CD1 3.33Å; H1550-I1552 WeakPolarHBondContact NE2-CG1 3.25Å; I1552-H1554 HydrophobicContact CG2-CB 4.05Å; I1552-H1554 WeakPolarHBondContact CG2-CD2 3.42Å; I1552-H1554 WeakPolarHBondContact CG2-NE2 3.23Å; I1552-M1571 HydrophobicContact CB-CE 4.15Å; I1552-M1571 HydrophobicContact CB-CG 4.43Å; I1552-M1571 HydrophobicContact CD1-CE 4.21Å; I1552-M1571 HydrophobicContact CG2-CE 3.92Å; I1552-M1571 CarbonylContact O-C 3.48Å; I1552-M1571 WeakPolarHBondContact O-CG 3.22Å; I1552-L1572 CarbonylContact O-C 3.53Å; I1552-L1572 VanDerWaalsContact O-C 3.28Å; I1552-L1572 WeakPolarHBondContact O-CA 3.34Å; I1552-L1572 PolarHBondContact O-N 2.73Å; I1552-L1572 VanDerWaalsContact O-N 3.11Å; I1552-S1573 WeakPolarHBondContact CB-OG 3.1Å; I1552-S1573 VanDerWaalsContact CG1-OG 3.3Å; I1552-S1573 WeakPolarHBondContact CG1-OG 3.46Å; I1552-S1573 PolarHBondContact N-O 2.95Å; I1552-S1573 VanDerWaalsContact O-CB 3.23Å; I1552-S1573 WeakPolarHBondContact O-CB 3.23Å; I1552-S1573 PolarHBondContact O-N 3.11Å; I1552-S1573 PolarHBondContact O-OG 2.85Å
1553	Y	81.4	Confident	70	Confident	50 Å²	50	62.8 Å²	62.8	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123	171.7	178.6	-103.8	0	0	0	108.9	F1539 I1540 I1541 L1551 F1555 N1570 M1571 L1572 E2146	F1539-Y1553 AromaticContact CD1-CD1 3.78Å; F1539-Y1553 HydrophobicContact CD1-CD1 4.06Å; F1539-Y1553 AromaticContact CD1-CE1 3.78Å; F1539-Y1553 HydrophobicContact CD1-CE1 3.87Å; F1539-Y1553 AromaticContact CE1-CD1 3.89Å; F1539-Y1553 HydrophobicContact CE1-CD1 4.05Å; F1539-Y1553 AromaticContact CE1-CE1 3.76Å; F1539-Y1553 HydrophobicContact CE1-CE1 4.05Å; I1540-Y1553 CarbonylContact C-O 3.42Å; I1540-Y1553 VanDerWaalsContact CA-O 3.29Å; I1540-Y1553 WeakPolarHBondContact CA-O 3.37Å; I1541-Y1553 CarbonylContact C-O 3.45Å; I1541-Y1553 HydrophobicContact CB-CD1 3.82Å; I1541-Y1553 HydrophobicContact CB-CG 4.33Å; I1541-Y1553 HydrophobicContact CD1-CD1 4.18Å; I1541-Y1553 HydrophobicContact CD1-CE1 4.11Å; I1541-Y1553 HydrophobicContact CG1-CD1 4.15Å; I1541-Y1553 HydrophobicContact CG1-CE1 4.37Å; I1541-Y1553 PolarHBondContact N-O 3.03Å; I1541-Y1553 VanDerWaalsContact N-O 3.13Å; I1541-Y1553 PolarHBondContact O-N 3.03Å; I1541-Y1553 VanDerWaalsContact O-O 3.1Å; L1551-Y1553 PolarHBondContact O-N 2.86Å; L1551-Y1553 VanDerWaalsContact O-N 3.07Å; Y1553-F1555 HydrophobicContact CD1-CB 4.49Å; Y1553-F1555 HydrophobicContact CE1-CB 3.81Å; Y1553-F1555 WeakPolarHBondContact OH-CB 3.35Å; Y1553-F1555 WeakPolarHBondContact OH-CD2 3.32Å; Y1553-N1570 WeakPolarHBondContact CE2-OD1 3.44Å; Y1553-N1570 PolarHBondContact OH-ND2 3.1Å; Y1553-N1570 PolarHBondContact OH-OD1 2.78Å; Y1553-M1571 CarbonylContact C-O 3.49Å; Y1553-M1571 VanDerWaalsContact CA-O 3.28Å; Y1553-M1571 WeakPolarHBondContact CA-O 3.27Å; Y1553-M1571 VanDerWaalsContact CD2-O 3.31Å; Y1553-M1571 WeakPolarHBondContact CD2-O 3.33Å; Y1553-M1571 WeakPolarHBondContact CE2-O 3.48Å; Y1553-L1572 HydrophobicContact CD2-CB 4.29Å; Y1553-L1572 HydrophobicContact CD2-CD1 4.11Å; Y1553-L1572 HydrophobicContact CG-CD1 4.48Å; Y1553-E2146 WeakPolarHBondContact CD1-OE1 3.5Å; Y1553-E2146 WeakPolarHBondContact CD1-OE2 3.11Å; Y1553-E2146 WeakPolarHBondContact CE1-OE1 2.78Å
1554	H	81.5	Confident	69.5	Low	60 Å²	60	68.5 Å²	68.5	28%	0.278	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	103.8	178.9	-79.4	-108.9	0	0	0	110.3	I1540 I1552 S1569 N1570 M1571 K2145 E2146	I1540-H1554 HydrophobicContact CG1-CB 4.38Å; I1540-H1554 WeakPolarHBondContact CG1-ND1 3.39Å; I1540-H1554 WeakPolarHBondContact CG1-NE2 3.17Å; I1540-H1554 VanDerWaalsContact CG2-CD2 3.44Å; I1540-H1554 WeakPolarHBondContact CG2-CD2 2.98Å; I1540-H1554 VanDerWaalsContact CG2-CE1 3.44Å; I1540-H1554 WeakPolarHBondContact CG2-CE1 3.43Å; I1540-H1554 WeakPolarHBondContact CG2-NE2 2.91Å; I1552-H1554 HydrophobicContact CG2-CB 4.05Å; I1552-H1554 WeakPolarHBondContact CG2-CD2 3.42Å; I1552-H1554 WeakPolarHBondContact CG2-NE2 3.23Å; H1554-S1569 CarbonylContact C-O 3.21Å; H1554-N1570 CarbonylContact O-C 3.51Å; H1554-N1570 WeakPolarHBondContact O-CA 3.16Å; H1554-M1571 HydrophobicContact CB-CB 4.06Å; H1554-M1571 HydrophobicContact CB-CE 4.07Å; H1554-M1571 HydrophobicContact CB-CG 3.44Å; H1554-M1571 VanDerWaalsContact CB-CG 3.44Å; H1554-M1571 HydrophobicContact CB-SD 4.05Å; H1554-M1571 VanDerWaalsContact CD2-CE 3.41Å; H1554-M1571 WeakPolarHBondContact CD2-CE 3.24Å; H1554-M1571 VanDerWaalsContact N-CA 3.28Å; H1554-M1571 PolarHBondContact N-O 2.89Å; H1554-M1571 WeakPolarHBondContact O-CB 3.4Å; H1554-M1571 PolarHBondContact O-N 2.94Å; H1554-K2145 VanDerWaalsContact CB-C 3.48Å; H1554-K2145 PolarHBondContact ND1-O 2.66Å; H1554-K2145 CarbonylContact O-C 3.41Å; H1554-K2145 WeakPolarHBondContact O-CB 3.34Å; H1554-E2146 VanDerWaalsContact C-CB 3.5Å; H1554-E2146 WeakPolarHBondContact CA-OE2 3.07Å; H1554-E2146 HydrophobicContact CB-CB 3.61Å; H1554-E2146 HydrophobicContact CB-CG 4.11Å; H1554-E2146 PolarHBondContact N-OE2 2.87Å; H1554-E2146 PolarHBondContact ND1-N 2.74Å; H1554-E2146 VanDerWaalsContact ND1-N 3.17Å; H1554-E2146 PolarHBondContact O-N 3.1Å
1555	F	79.5	Confident	69.4	Low	44 Å²	44	67.4 Å²	67.4	19%	0.193	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143.6	166.2	-178	-94.9	0	0	0	112.4	L1537 F1538 F1539 Y1553 H1557 S1569 N1570 Y1592 E2146	L1537-F1555 HydrophobicContact CB-CE1 4.4Å; L1537-F1555 HydrophobicContact CD2-CD1 4.13Å; L1537-F1555 HydrophobicContact CD2-CE1 3.77Å; F1538-F1555 CarbonylContact C-O 3.48Å; F1538-F1555 WeakPolarHBondContact CA-O 3.36Å; F1538-F1555 CarbonylContact O-C 3.55Å; F1538-F1555 VanDerWaalsContact O-C 3.26Å; F1538-F1555 VanDerWaalsContact O-O 3.08Å; F1539-F1555 HydrophobicContact CB-CB 4.1Å; F1539-F1555 HydrophobicContact CB-CD1 4.13Å; F1539-F1555 HydrophobicContact CB-CG 4.09Å; F1539-F1555 HydrophobicContact CD1-CB 4.3Å; F1539-F1555 HydrophobicContact CD2-CD1 4.35Å; F1539-F1555 HydrophobicContact CG-CD1 4.5Å; F1539-F1555 PolarHBondContact N-O 3.22Å; F1539-F1555 WeakPolarHBondContact O-CA 3.41Å; F1539-F1555 WeakPolarHBondContact O-CB 3.29Å; F1539-F1555 PolarHBondContact O-N 2.97Å; Y1553-F1555 HydrophobicContact CD1-CB 4.49Å; Y1553-F1555 HydrophobicContact CE1-CB 3.81Å; Y1553-F1555 WeakPolarHBondContact OH-CB 3.35Å; Y1553-F1555 WeakPolarHBondContact OH-CD2 3.32Å; F1555-H1557 HydrophobicContact CD1-CB 4.4Å; F1555-H1557 HydrophobicContact CE1-CB 3.58Å; F1555-H1557 VanDerWaalsContact CE1-CB 3.46Å; F1555-H1557 HydrophobicContact CE2-CB 4.48Å; F1555-H1557 HydrophobicContact CZ-CB 3.7Å; F1555-S1569 CarbonylContact C-O 3.48Å; F1555-S1569 WeakPolarHBondContact CA-O 3.36Å; F1555-S1569 PolarHBondContact N-O 2.88Å; F1555-N1570 WeakPolarHBondContact CA-OD1 3.38Å; F1555-N1570 HydrophobicContact CD2-CB 4.3Å; F1555-N1570 WeakPolarHBondContact CD2-OD1 3.34Å; F1555-N1570 VanDerWaalsContact CE2-OD1 3.25Å; F1555-N1570 WeakPolarHBondContact CE2-OD1 3.31Å; F1555-N1570 VanDerWaalsContact CG-OD1 3.25Å; F1555-N1570 WeakPolarHBondContact CG-OD1 3.26Å; F1555-Y1592 WeakPolarHBondContact CZ-OH 3.06Å; F1555-E2146 VanDerWaalsContact CA-OE1 3.22Å; F1555-E2146 WeakPolarHBondContact CA-OE1 2.95Å; F1555-E2146 HydrophobicContact CB-CG 3.72Å; F1555-E2146 WeakPolarHBondContact CB-OE1 3.4Å; F1555-E2146 PolarHBondContact N-OE1 3.14Å; F1555-E2146 VanDerWaalsContact O-CA 3.24Å; F1555-E2146 WeakPolarHBondContact O-CA 3.16Å; F1555-E2146 WeakPolarHBondContact O-CG 3.33Å; F1555-E2146 PolarHBondContact O-N 3Å
1556	K	81.3	Confident	69.6	Low	60.2 Å²	60.2	67 Å²	67	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	137.8	172.7	174.3	178.9	173.8	-174.3	0	108.5	L1537 F1538 R1558 G1568 S1569 Y1592	L1537-K1556 CarbonylContact O-C 3.54Å; L1537-K1556 VanDerWaalsContact O-CA 3.29Å; L1537-K1556 WeakPolarHBondContact O-CA 3.43Å; F1538-K1556 HydrophobicContact CB-CB 4.31Å; F1538-K1556 HydrophobicContact CB-CG 4.24Å; F1538-K1556 HydrophobicContact CD1-CB 4.24Å; F1538-K1556 HydrophobicContact CD1-CD 3.84Å; F1538-K1556 VanDerWaalsContact CD1-CD 3.44Å; F1538-K1556 HydrophobicContact CD1-CG 3.71Å; F1538-K1556 HydrophobicContact CE1-CB 4.35Å; F1538-K1556 HydrophobicContact CE1-CD 3.56Å; F1538-K1556 VanDerWaalsContact CE1-CD 3.42Å; F1538-K1556 VanDerWaalsContact CE1-CE 3.43Å; F1538-K1556 HydrophobicContact CE1-CG 3.76Å; F1538-K1556 VanDerWaalsContact CE1-CG 3.48Å; F1538-K1556 HydrophobicContact CG-CB 4.39Å; F1538-K1556 HydrophobicContact CG-CD 4.19Å; F1538-K1556 HydrophobicContact CG-CG 3.96Å; F1538-K1556 HydrophobicContact CZ-CD 4.28Å; F1538-K1556 HydrophobicContact CZ-CG 4.3Å; F1538-K1556 WeakPolarHBondContact O-CA 3.5Å; F1538-K1556 WeakPolarHBondContact O-CB 3.48Å; F1538-K1556 PolarHBondContact O-N 3.14Å; K1556-R1558 VanDerWaalsContact CE-CZ 3.49Å; K1556-R1558 VanDerWaalsContact CE-NE 3.31Å; K1556-R1558 VanDerWaalsContact CE-NH2 3.33Å; K1556-R1558 HydrophobicContact CG-CG 4.47Å; K1556-G1568 CarbonylContact O-C 3.39Å; K1556-G1568 WeakPolarHBondContact O-CA 3.3Å; K1556-S1569 WeakPolarHBondContact CB-OG 3.42Å; K1556-S1569 WeakPolarHBondContact CD-OG 3.49Å; K1556-S1569 PolarHBondContact N-O 2.97Å; K1556-S1569 PolarHBondContact O-N 3.03Å; K1556-Y1592 PolarHBondContact O-OH 3.32Å
1557	H	78.9	Confident	70.3	Confident	42 Å²	42	65.4 Å²	65.4	19%	0.194	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	124.1	-178.9	-177.4	86.2	0	0	0	110.2	S1536 L1537 F1555 W1559 I1566 G1567 Y1592	S1536-H1557 CarbonylContact C-O 3.5Å; S1536-H1557 VanDerWaalsContact CA-O 3.24Å; S1536-H1557 WeakPolarHBondContact CA-O 3.27Å; L1537-H1557 CarbonylContact C-O 3.59Å; L1537-H1557 WeakPolarHBondContact CA-O 3.2Å; L1537-H1557 HydrophobicContact CB-CB 4.3Å; L1537-H1557 WeakPolarHBondContact CB-O 3.42Å; L1537-H1557 HydrophobicContact CD2-CB 4.12Å; L1537-H1557 PolarHBondContact N-O 3.13Å; L1537-H1557 CarbonylContact O-C 3.54Å; L1537-H1557 WeakPolarHBondContact O-CA 3.01Å; L1537-H1557 PolarHBondContact O-N 3.15Å; F1555-H1557 HydrophobicContact CD1-CB 4.4Å; F1555-H1557 HydrophobicContact CE1-CB 3.58Å; F1555-H1557 VanDerWaalsContact CE1-CB 3.46Å; F1555-H1557 HydrophobicContact CE2-CB 4.48Å; F1555-H1557 HydrophobicContact CZ-CB 3.7Å; H1557-W1559 AromaticContact CD2-CE3 3.36Å; H1557-W1559 AromaticContact CD2-CZ3 3.66Å; H1557-W1559 AromaticContact NE2-CE3 3.53Å; H1557-I1566 VanDerWaalsContact CE1-CG2 3.44Å; H1557-I1566 WeakPolarHBondContact CE1-CG2 3.22Å; H1557-G1567 CarbonylContact C-O 3.42Å; H1557-Y1592 WeakPolarHBondContact CB-OH 3.28Å; H1557-Y1592 AromaticContact ND1-CE2 3.81Å; H1557-Y1592 WeakPolarHBondContact ND1-CE2 3.32Å; H1557-Y1592 AromaticContact ND1-CZ 3.75Å; H1557-Y1592 PolarHBondContact ND1-OH 2.96Å
1558	R	75.2	Confident	71.5	Confident	110 Å²	110	62.4 Å²	62.4	42%	0.415	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.3	-179.4	-61.5	178.2	168.2	167.5	-9.2	109.8	H1535 K1556 H1565 I1566 G1567	H1535-R1558 CarbonylContact O-C 3.22Å; H1535-R1558 VanDerWaalsContact O-C 3.26Å; H1535-R1558 WeakPolarHBondContact O-CA 3.36Å; H1535-R1558 VanDerWaalsContact O-CB 3.31Å; H1535-R1558 WeakPolarHBondContact O-CB 3.42Å; K1556-R1558 VanDerWaalsContact CE-CZ 3.49Å; K1556-R1558 VanDerWaalsContact CE-NE 3.31Å; K1556-R1558 VanDerWaalsContact CE-NH2 3.33Å; K1556-R1558 HydrophobicContact CG-CG 4.47Å; R1558-H1565 CarbonylContact C-O 3.47Å; R1558-H1565 CarbonylContact O-C 3.47Å; R1558-I1566 CarbonylContact O-C 3.47Å; R1558-I1566 WeakPolarHBondContact O-CA 3.18Å; R1558-G1567 WeakPolarHBondContact CA-O 3.25Å; R1558-G1567 VanDerWaalsContact CB-O 3.24Å; R1558-G1567 WeakPolarHBondContact CB-O 3.26Å; R1558-G1567 WeakPolarHBondContact CG-O 3.38Å; R1558-G1567 PolarHBondContact N-O 2.92Å; R1558-G1567 PolarHBondContact O-N 2.94Å; R1558-G1567 VanDerWaalsContact O-O 3.12Å
1559	W	67	Low	72.5	Confident	108.2 Å²	108.2	59.3 Å²	59.3	41%	0.41	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	111.5	174.1	168.9	24.8	0	0	0	110.3	H1535 L1537 H1557 N1561 H1565 I1566	H1535-W1559 VanDerWaalsContact CA-O 3.31Å; H1535-W1559 WeakPolarHBondContact CA-O 3.32Å; H1535-W1559 HydrophobicContact CB-CB 4.31Å; H1535-W1559 WeakPolarHBondContact CB-O 3.34Å; H1535-W1559 PolarHBondContact CD2-O 3.11Å; H1535-W1559 VanDerWaalsContact CG-O 3.27Å; H1535-W1559 PolarHBondContact ND1-O 3.13Å; H1535-W1559 CarbonylContact O-C 3.35Å; H1535-W1559 PolarHBondContact O-N 3.21Å; L1537-W1559 HydrophobicContact CB-CE3 4.38Å; L1537-W1559 HydrophobicContact CB-CH2 4.23Å; L1537-W1559 HydrophobicContact CB-CZ3 3.72Å; L1537-W1559 HydrophobicContact CD1-CH2 3.83Å; L1537-W1559 HydrophobicContact CD1-CZ3 3.71Å; L1537-W1559 HydrophobicContact CG-CZ3 4.34Å; H1557-W1559 AromaticContact CD2-CE3 3.36Å; H1557-W1559 AromaticContact CD2-CZ3 3.66Å; H1557-W1559 AromaticContact NE2-CE3 3.53Å; W1559-N1561 WeakPolarHBondContact CZ2-OD1 3.38Å; W1559-N1561 PolarHBondContact NE1-OD1 2.84Å; W1559-N1561 PolarHBondContact O-N 2.75Å; W1559-N1561 PolarHBondContact O-OD1 2.73Å; W1559-H1565 CarbonylContact C-O 3.47Å; W1559-H1565 VanDerWaalsContact CA-O 3.27Å; W1559-H1565 WeakPolarHBondContact CA-O 3.44Å; W1559-I1566 HydrophobicContact CB-CG1 4.03Å; W1559-I1566 HydrophobicContact CB-CG2 4.49Å; W1559-I1566 HydrophobicContact CG-CG1 4.25Å
1560	H	63.7	Low	73.2	Confident	91.4 Å²	91.4	59.3 Å²	59.3	42%	0.423	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	108.8	169.8	-70.1	-76	0	0	0	110.3	H1535 V1562 D1563 Y1564 H1565	H1535-H1560 HydrophobicContact CB-CB 4.28Å; H1535-H1560 WeakPolarHBondContact CB-ND1 3.34Å; H1560-V1562 VanDerWaalsContact C-N 3.33Å; H1560-V1562 PolarHBondContact O-N 2.81Å; H1560-D1563 CarbonylContact O-C 3.4Å; H1560-D1563 PolarHBondContact O-N 2.95Å; H1560-Y1564 CarbonylContact O-C 3.24Å; H1560-Y1564 VanDerWaalsContact O-CA 3.28Å; H1560-Y1564 WeakPolarHBondContact O-CA 3.21Å; H1560-Y1564 PolarHBondContact O-N 3.04Å; H1560-H1565 HydrophobicContact CB-CB 4.23Å; H1560-H1565 AromaticContact CD2-CD2 3.86Å; H1560-H1565 AromaticContact CD2-ND1 3.8Å; H1560-H1565 PolarHBondContact N-O 2.9Å; H1560-H1565 PolarHBondContact O-N 3.1Å; H1560-H1565 VanDerWaalsContact O-N 3.15Å
1561	N	57.7	Low	73.5	Confident	75.8 Å²	75.8	59.8 Å²	59.8	41%	0.405	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.3	176	-69.9	5.2	0	0	0	113.5	I1450 C1451 H1535 W1559 D1563	I1450-N1561 CarbonylContact C-O 3.41Å; I1450-N1561 CarbonylContact O-C 3.3Å; C1451-N1561 VanDerWaalsContact C-CB 3.41Å; C1451-N1561 CarbonylContact C-O 3.59Å; C1451-N1561 VanDerWaalsContact C-O 3.31Å; C1451-N1561 VanDerWaalsContact CA-O 3.28Å; C1451-N1561 WeakPolarHBondContact CA-O 3.5Å; C1451-N1561 HydrophobicContact CB-CB 4.5Å; C1451-N1561 PolarHBondContact N-O 3.39Å; C1451-N1561 WeakPolarHBondContact O-CB 3.33Å; H1535-N1561 PolarHBondContact CD2-ND2 2.81Å; H1535-N1561 PolarHBondContact CD2-OD1 2.83Å; H1535-N1561 PolarHBondContact CE1-OD1 2.85Å; H1535-N1561 PolarHBondContact ND1-N 3.17Å; H1535-N1561 PolarHBondContact ND1-OD1 2.78Å; H1535-N1561 PolarHBondContact NE2-ND2 3.11Å; W1559-N1561 WeakPolarHBondContact CZ2-OD1 3.38Å; W1559-N1561 PolarHBondContact NE1-OD1 2.84Å; W1559-N1561 PolarHBondContact O-N 2.75Å; W1559-N1561 PolarHBondContact O-OD1 2.73Å; N1561-D1563 VanDerWaalsContact C-N 3.33Å; N1561-D1563 PolarHBondContact O-N 3.03Å
1562	V	56.2	Low	73.7	Confident	117 Å²	117	59.9 Å²	59.9	71%	0.709	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-26.1	179.1	-178.2	0	0	0	0	111.3	F1449 I1450 H1560	F1449-V1562 HydrophobicContact CD2-CG1 3.94Å; F1449-V1562 VanDerWaalsContact CD2-O 3.3Å; F1449-V1562 WeakPolarHBondContact CD2-O 3.11Å; F1449-V1562 HydrophobicContact CE2-CG1 3.22Å; F1449-V1562 HydrophobicContact CZ-CG1 3.91Å; I1450-V1562 HydrophobicContact CG1-CB 4.46Å; I1450-V1562 HydrophobicContact CG1-CG1 4.07Å; I1450-V1562 PolarHBondContact N-O 2.79Å; I1450-V1562 CarbonylContact O-C 3.52Å; I1450-V1562 WeakPolarHBondContact O-CA 3.34Å; I1450-V1562 PolarHBondContact O-N 3.23Å; H1560-V1562 VanDerWaalsContact C-N 3.33Å; H1560-V1562 PolarHBondContact O-N 2.81Å
1563	D	54.6	Low	73.8	Confident	67.8 Å²	67.8	58.7 Å²	58.7	36%	0.363	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	14	-170.1	-85.1	-13.2	0	0	0	113	I1450 H1560 N1561 H1565 L1596 N1597	I1450-D1563 PolarHBondContact O-N 2.92Å; H1560-D1563 CarbonylContact O-C 3.4Å; H1560-D1563 PolarHBondContact O-N 2.95Å; N1561-D1563 VanDerWaalsContact C-N 3.33Å; N1561-D1563 PolarHBondContact O-N 3.03Å; D1563-H1565 HydrophobicContact CB-CB 4.33Å; D1563-H1565 PolarHBondContact O-N 2.94Å; D1563-L1596 CarbonylContact O-C 3.54Å; D1563-L1596 VanDerWaalsContact O-C 3.3Å; D1563-N1597 HydrophobicContact CB-CB 4.34Å; D1563-N1597 WeakPolarHBondContact CB-OD1 3.35Å; D1563-N1597 VanDerWaalsContact CG-OD1 3.24Å; D1563-N1597 VanDerWaalsContact O-CA 3.24Å; D1563-N1597 WeakPolarHBondContact O-CA 3.35Å; D1563-N1597 PolarHBondContact O-N 2.84Å; D1563-N1597 PolarHBondContact O-OD1 3.02Å; D1563-N1597 VanDerWaalsContact O-OD1 3.09Å; D1563-N1597 VanDerWaalsContact OD1-CB 3.26Å; D1563-N1597 WeakPolarHBondContact OD1-CB 3.5Å; D1563-N1597 PolarHBondContact OD1-ND2 3.01Å; D1563-N1597 VanDerWaalsContact OD1-ND2 3.1Å; D1563-N1597 PolarHBondContact OD2-ND2 3.14Å; D1563-N1597 PolarHBondContact OD2-OD1 2.83Å
1564	Y	62	Low	73.7	Confident	145.4 Å²	145.4	57.2 Å²	57.2	57%	0.57	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.4	40.5	-169	-67.1	-83.7	0	0	0	113.5	N1191 H1560 I1566 L1596	N1191-Y1564 PolarHBondContact ND2-OH 2.99Å; N1191-Y1564 VanDerWaalsContact ND2-OH 3.15Å; H1560-Y1564 CarbonylContact O-C 3.24Å; H1560-Y1564 VanDerWaalsContact O-CA 3.28Å; H1560-Y1564 WeakPolarHBondContact O-CA 3.21Å; H1560-Y1564 PolarHBondContact O-N 3.04Å; Y1564-I1566 PolarHBondContact O-N 2.91Å; Y1564-L1596 PolarHBondContact O-N 3.23Å; Y1564-L1596 VanDerWaalsContact O-N 3.14Å
1565	H	68.2	Low	73.5	Confident	49.8 Å²	49.8	56.6 Å²	56.6	23%	0.231	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113	179.7	177	-18.2	0	0	0	110	R1558 W1559 H1560 D1563 I1593 L1594 Q1595	R1558-H1565 CarbonylContact C-O 3.47Å; R1558-H1565 CarbonylContact O-C 3.47Å; W1559-H1565 CarbonylContact C-O 3.47Å; W1559-H1565 VanDerWaalsContact CA-O 3.27Å; W1559-H1565 WeakPolarHBondContact CA-O 3.44Å; H1560-H1565 HydrophobicContact CB-CB 4.23Å; H1560-H1565 AromaticContact CD2-CD2 3.86Å; H1560-H1565 AromaticContact CD2-ND1 3.8Å; H1560-H1565 PolarHBondContact N-O 2.9Å; H1560-H1565 PolarHBondContact O-N 3.1Å; H1560-H1565 VanDerWaalsContact O-N 3.15Å; D1563-H1565 HydrophobicContact CB-CB 4.33Å; D1563-H1565 PolarHBondContact O-N 2.94Å; H1565-I1593 VanDerWaalsContact CE1-CG2 3.44Å; H1565-I1593 WeakPolarHBondContact CE1-CG2 3.25Å; H1565-L1594 CarbonylContact C-O 3.53Å; H1565-L1594 WeakPolarHBondContact CA-O 3.42Å; H1565-Q1595 HydrophobicContact CB-CB 4.41Å; H1565-Q1595 HydrophobicContact CB-CG 4.16Å
1566	I	72.4	Confident	73.1	Confident	44.2 Å²	44.2	55.9 Å²	55.9	23%	0.227	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	106.1	-179.1	-58.3	172.1	0	0	0	108.7	H1557 R1558 W1559 Y1564 Y1592 I1593 L1594	H1557-I1566 VanDerWaalsContact CE1-CG2 3.44Å; H1557-I1566 WeakPolarHBondContact CE1-CG2 3.22Å; R1558-I1566 CarbonylContact O-C 3.47Å; R1558-I1566 WeakPolarHBondContact O-CA 3.18Å; W1559-I1566 HydrophobicContact CB-CG1 4.03Å; W1559-I1566 HydrophobicContact CB-CG2 4.49Å; W1559-I1566 HydrophobicContact CG-CG1 4.25Å; Y1564-I1566 PolarHBondContact O-N 2.91Å; I1566-Y1592 HydrophobicContact CG2-CE2 4.41Å; I1566-I1593 CarbonylContact O-C 3.53Å; I1566-I1593 WeakPolarHBondContact O-CA 3.39Å; I1566-L1594 WeakPolarHBondContact CA-O 3.27Å; I1566-L1594 HydrophobicContact CB-CB 4.24Å; I1566-L1594 HydrophobicContact CB-CG 4.4Å; I1566-L1594 WeakPolarHBondContact CB-O 2.95Å; I1566-L1594 HydrophobicContact CD1-CD2 4.3Å; I1566-L1594 PolarHBondContact N-O 2.82Å; I1566-L1594 WeakPolarHBondContact O-CA 3.17Å; I1566-L1594 WeakPolarHBondContact O-CB 3.47Å; I1566-L1594 PolarHBondContact O-N 3.05Å; I1566-L1594 VanDerWaalsContact O-O 3.09Å
1567	G	75.9	Confident	72.2	Confident	8.4 Å²	8.4	57.5 Å²	57.5	9%	0.087	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.2	-178.5	0	0	0	0	0	113.6	H1557 R1558 Y1592	H1557-G1567 CarbonylContact C-O 3.42Å; R1558-G1567 WeakPolarHBondContact CA-O 3.25Å; R1558-G1567 VanDerWaalsContact CB-O 3.24Å; R1558-G1567 WeakPolarHBondContact CB-O 3.26Å; R1558-G1567 WeakPolarHBondContact CG-O 3.38Å; R1558-G1567 PolarHBondContact N-O 2.92Å; R1558-G1567 PolarHBondContact O-N 2.94Å; R1558-G1567 VanDerWaalsContact O-O 3.12Å; G1567-Y1592 CarbonylContact C-O 3.4Å; G1567-Y1592 VanDerWaalsContact C-O 3.31Å; G1567-Y1592 VanDerWaalsContact CA-O 3.23Å; G1567-Y1592 WeakPolarHBondContact CA-O 3.38Å
1568	G	81.7	Confident	71.1	Confident	11.6 Å²	11.6	59.6 Å²	59.6	12%	0.12	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	178.1	-176.9	0	0	0	0	0	115.1	K1556 N1591 Y1592	K1556-G1568 CarbonylContact O-C 3.39Å; K1556-G1568 WeakPolarHBondContact O-CA 3.3Å; G1568-N1591 CarbonylContact O-C 3.59Å; G1568-N1591 WeakPolarHBondContact O-CA 3.36Å; G1568-Y1592 PolarHBondContact N-O 3.16Å; G1568-Y1592 WeakPolarHBondContact O-CD1 3.38Å; G1568-Y1592 PolarHBondContact O-N 2.89Å; G1568-Y1592 VanDerWaalsContact O-O 3.13Å
1569	S	83.2	Confident	69.7	Low	23.6 Å²	23.6	61.8 Å²	61.8	17%	0.165	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	129	176.2	63.7	0	0	0	0	111.6	H1554 F1555 K1556 N1590 N1591	H1554-S1569 CarbonylContact C-O 3.21Å; F1555-S1569 CarbonylContact C-O 3.48Å; F1555-S1569 WeakPolarHBondContact CA-O 3.36Å; F1555-S1569 PolarHBondContact N-O 2.88Å; K1556-S1569 WeakPolarHBondContact CB-OG 3.42Å; K1556-S1569 WeakPolarHBondContact CD-OG 3.49Å; K1556-S1569 PolarHBondContact N-O 2.97Å; K1556-S1569 PolarHBondContact O-N 3.03Å; S1569-N1590 CarbonylContact C-O 3.48Å; S1569-N1590 VanDerWaalsContact CA-O 3.28Å; S1569-N1590 WeakPolarHBondContact CA-O 3.18Å; S1569-N1591 WeakPolarHBondContact CB-OD1 3.33Å
1570	N	81.2	Confident	68.8	Low	35.4 Å²	35.4	61.2 Å²	61.2	19%	0.189	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110	178.9	-97.7	-3.9	0	0	0	110.8	Y1553 H1554 F1555 N1589 N1590 Y1592 K2145	Y1553-N1570 WeakPolarHBondContact CE2-OD1 3.44Å; Y1553-N1570 PolarHBondContact OH-ND2 3.1Å; Y1553-N1570 PolarHBondContact OH-OD1 2.78Å; H1554-N1570 CarbonylContact O-C 3.51Å; H1554-N1570 WeakPolarHBondContact O-CA 3.16Å; F1555-N1570 WeakPolarHBondContact CA-OD1 3.38Å; F1555-N1570 HydrophobicContact CD2-CB 4.3Å; F1555-N1570 WeakPolarHBondContact CD2-OD1 3.34Å; F1555-N1570 VanDerWaalsContact CE2-OD1 3.25Å; F1555-N1570 WeakPolarHBondContact CE2-OD1 3.31Å; F1555-N1570 VanDerWaalsContact CG-OD1 3.25Å; F1555-N1570 WeakPolarHBondContact CG-OD1 3.26Å; N1570-N1589 CarbonylContact O-C 3.54Å; N1570-N1589 WeakPolarHBondContact O-CA 3.4Å; N1570-N1590 HydrophobicContact CB-CB 4.31Å; N1570-N1590 PolarHBondContact N-O 3Å; N1570-N1590 PolarHBondContact O-N 3.1Å; N1570-N1590 VanDerWaalsContact O-N 3.17Å; N1570-N1590 PolarHBondContact O-OD1 3.47Å; N1570-Y1592 WeakPolarHBondContact OD1-CE1 3.07Å; N1570-K2145 PolarHBondContact O-NZ 3.1Å
1571	M	83.4	Confident	68	Low	36.8 Å²	36.8	66 Å²	66	18%	0.181	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.4	175.4	-173.5	-176.4	87.5	0	0	111.8	I1552 Y1553 H1554 Y1587 L1588 N1589 M2144 K2145	I1552-M1571 HydrophobicContact CB-CE 4.15Å; I1552-M1571 HydrophobicContact CB-CG 4.43Å; I1552-M1571 HydrophobicContact CD1-CE 4.21Å; I1552-M1571 HydrophobicContact CG2-CE 3.92Å; I1552-M1571 CarbonylContact O-C 3.48Å; I1552-M1571 WeakPolarHBondContact O-CG 3.22Å; Y1553-M1571 CarbonylContact C-O 3.49Å; Y1553-M1571 VanDerWaalsContact CA-O 3.28Å; Y1553-M1571 WeakPolarHBondContact CA-O 3.27Å; Y1553-M1571 VanDerWaalsContact CD2-O 3.31Å; Y1553-M1571 WeakPolarHBondContact CD2-O 3.33Å; Y1553-M1571 WeakPolarHBondContact CE2-O 3.48Å; H1554-M1571 HydrophobicContact CB-CB 4.06Å; H1554-M1571 HydrophobicContact CB-CE 4.07Å; H1554-M1571 HydrophobicContact CB-CG 3.44Å; H1554-M1571 VanDerWaalsContact CB-CG 3.44Å; H1554-M1571 HydrophobicContact CB-SD 4.05Å; H1554-M1571 VanDerWaalsContact CD2-CE 3.41Å; H1554-M1571 WeakPolarHBondContact CD2-CE 3.24Å; H1554-M1571 VanDerWaalsContact N-CA 3.28Å; H1554-M1571 PolarHBondContact N-O 2.89Å; H1554-M1571 WeakPolarHBondContact O-CB 3.4Å; H1554-M1571 PolarHBondContact O-N 2.94Å; M1571-Y1587 HydrophobicContact CG-CE1 3.9Å; M1571-Y1587 HydrophobicContact CG-CE2 4.01Å; M1571-Y1587 HydrophobicContact SD-CE1 3.6Å; M1571-Y1587 HydrophobicContact SD-CE2 3.95Å; M1571-Y1587 PolarHBondContact SD-OH 2.83Å; M1571-L1588 CarbonylContact C-O 3.42Å; M1571-L1588 VanDerWaalsContact CA-O 3.29Å; M1571-L1588 WeakPolarHBondContact CA-O 3.31Å; M1571-N1589 HydrophobicContact CB-CB 4.47Å; M1571-N1589 HydrophobicContact CG-CB 4.24Å; M1571-M2144 HydrophobicContact SD-CB 4.27Å; M1571-K2145 HydrophobicContact CB-CB 3.33Å; M1571-K2145 HydrophobicContact CB-CD 3.4Å; M1571-K2145 VanDerWaalsContact CB-CD 3.4Å; M1571-K2145 HydrophobicContact CB-CG 3.48Å; M1571-K2145 VanDerWaalsContact CB-CG 3.48Å; M1571-K2145 HydrophobicContact CG-CB 4.38Å; M1571-K2145 HydrophobicContact CG-CD 3.99Å; M1571-K2145 VanDerWaalsContact CG-CE 3.45Å; M1571-K2145 HydrophobicContact CG-CG 4.5Å; M1571-K2145 HydrophobicContact SD-CB 4.2Å; M1571-K2145 HydrophobicContact SD-CD 3.86Å; M1571-K2145 HydrophobicContact SD-CG 4.42Å; M1571-K2145 PolarHBondContact SD-N 2.83Å; M1571-K2145 VanDerWaalsContact SD-N 3.38Å
1572	L	82.7	Confident	67.6	Low	46.4 Å²	46.4	73.2 Å²	73.2	24%	0.243	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	117.6	171.8	-179	70.3	0	0	0	107	L1551 I1552 Y1553 V1574 F1586 Y1587 L1588	L1551-L1572 HydrophobicContact CD1-CD1 4.35Å; L1551-L1572 HydrophobicContact CD2-CD1 4.22Å; L1551-L1572 HydrophobicContact CD2-CG 3.9Å; L1551-L1572 HydrophobicContact CG-CD1 4.24Å; L1551-L1572 HydrophobicContact CG-CG 4.3Å; I1552-L1572 CarbonylContact O-C 3.53Å; I1552-L1572 VanDerWaalsContact O-C 3.28Å; I1552-L1572 WeakPolarHBondContact O-CA 3.34Å; I1552-L1572 PolarHBondContact O-N 2.73Å; I1552-L1572 VanDerWaalsContact O-N 3.11Å; Y1553-L1572 HydrophobicContact CD2-CB 4.29Å; Y1553-L1572 HydrophobicContact CD2-CD1 4.11Å; Y1553-L1572 HydrophobicContact CG-CD1 4.48Å; L1572-V1574 VanDerWaalsContact C-CG2 3.44Å; L1572-V1574 HydrophobicContact CD1-CG2 4.26Å; L1572-V1574 HydrophobicContact CD2-CG2 4.37Å; L1572-V1574 HydrophobicContact CG-CG2 4.25Å; L1572-F1586 HydrophobicContact CD2-CD1 4.16Å; L1572-F1586 HydrophobicContact CD2-CE1 3.82Å; L1572-F1586 HydrophobicContact CD2-CZ 4.41Å; L1572-F1586 HydrophobicContact CG-CD1 4.41Å; L1572-F1586 HydrophobicContact CG-CE1 4.25Å; L1572-Y1587 CarbonylContact O-C 3.56Å; L1572-Y1587 WeakPolarHBondContact O-CA 3.4Å; L1572-Y1587 WeakPolarHBondContact O-CD1 3.11Å; L1572-L1588 HydrophobicContact CB-CB 4.31Å; L1572-L1588 PolarHBondContact N-O 2.96Å; L1572-L1588 PolarHBondContact O-N 3.06Å
1573	S	82.2	Confident	67.4	Low	5.2 Å²	5.2	71.6 Å²	71.6	4%	0.036	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.4	176	105	0	0	0	0	110.3	H1550 L1551 I1552 F1586 Y1587 S1614	H1550-S1573 PolarHBondContact CD2-O 2.84Å; L1551-S1573 CarbonylContact C-O 3.44Å; L1551-S1573 WeakPolarHBondContact CA-O 3.23Å; I1552-S1573 WeakPolarHBondContact CB-OG 3.1Å; I1552-S1573 VanDerWaalsContact CG1-OG 3.3Å; I1552-S1573 WeakPolarHBondContact CG1-OG 3.46Å; I1552-S1573 PolarHBondContact N-O 2.95Å; I1552-S1573 VanDerWaalsContact O-CB 3.23Å; I1552-S1573 WeakPolarHBondContact O-CB 3.23Å; I1552-S1573 PolarHBondContact O-N 3.11Å; I1552-S1573 PolarHBondContact O-OG 2.85Å; S1573-F1586 CarbonylContact C-O 3.37Å; S1573-F1586 VanDerWaalsContact CA-O 3.31Å; S1573-F1586 WeakPolarHBondContact CA-O 3.31Å; S1573-Y1587 WeakPolarHBondContact CB-OH 2.97Å; S1573-Y1587 WeakPolarHBondContact OG-CE2 3.03Å; S1573-Y1587 PolarHBondContact OG-OH 3.1Å; S1573-S1614 VanDerWaalsContact CB-O 3.3Å; S1573-S1614 WeakPolarHBondContact CB-O 3.39Å
1574	V	79.8	Confident	67.8	Low	18.2 Å²	18.2	71 Å²	71	11%	0.11	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	102	-174.6	-169.1	0	0	0	0	108.2	I1549 H1550 L1551 L1572 F1583 G1585 F1586 S1614	I1549-V1574 HydrophobicContact CD1-CG1 4.36Å; I1549-V1574 HydrophobicContact CG1-CG1 4.35Å; I1549-V1574 HydrophobicContact CG2-CG1 3.71Å; H1550-V1574 CarbonylContact O-C 3.33Å; H1550-V1574 WeakPolarHBondContact O-CA 3.23Å; L1551-V1574 HydrophobicContact CB-CB 4.31Å; L1551-V1574 HydrophobicContact CB-CG1 3.7Å; L1551-V1574 HydrophobicContact CD1-CG1 3.44Å; L1551-V1574 VanDerWaalsContact CD1-CG1 3.44Å; L1551-V1574 HydrophobicContact CD1-CG2 4.29Å; L1551-V1574 HydrophobicContact CG-CB 4.1Å; L1551-V1574 HydrophobicContact CG-CG1 3.38Å; L1551-V1574 HydrophobicContact CG-CG2 4.16Å; L1572-V1574 VanDerWaalsContact C-CG2 3.44Å; L1572-V1574 HydrophobicContact CD1-CG2 4.26Å; L1572-V1574 HydrophobicContact CD2-CG2 4.37Å; L1572-V1574 HydrophobicContact CG-CG2 4.25Å; V1574-F1583 HydrophobicContact CB-CE1 4.39Å; V1574-F1583 HydrophobicContact CB-CZ 4.16Å; V1574-F1583 HydrophobicContact CG1-CE1 4.01Å; V1574-F1583 HydrophobicContact CG1-CZ 4.04Å; V1574-G1585 CarbonylContact O-C 3.41Å; V1574-G1585 VanDerWaalsContact O-C 3.24Å; V1574-G1585 VanDerWaalsContact O-CA 3.26Å; V1574-G1585 WeakPolarHBondContact O-CA 3.28Å; V1574-F1586 CarbonylContact C-O 3.4Å; V1574-F1586 WeakPolarHBondContact CA-O 3.38Å; V1574-F1586 VanDerWaalsContact CB-C 3.41Å; V1574-F1586 HydrophobicContact CB-CB 4.08Å; V1574-F1586 HydrophobicContact CB-CD1 4.4Å; V1574-F1586 HydrophobicContact CB-CG 4.42Å; V1574-F1586 WeakPolarHBondContact CB-O 3.11Å; V1574-F1586 HydrophobicContact CG1-CB 4Å; V1574-F1586 HydrophobicContact CG1-CD1 4.4Å; V1574-F1586 HydrophobicContact CG2-CB 4.22Å; V1574-F1586 HydrophobicContact CG2-CD1 4.22Å; V1574-F1586 HydrophobicContact CG2-CG 4.06Å; V1574-F1586 WeakPolarHBondContact CG2-O 3.19Å; V1574-F1586 PolarHBondContact N-O 3.11Å; V1574-F1586 PolarHBondContact O-N 2.98Å; V1574-F1586 VanDerWaalsContact O-O 3.11Å; V1574-S1614 VanDerWaalsContact O-CB 3.3Å; V1574-S1614 WeakPolarHBondContact O-CB 3.21Å
1575	Q	76.9	Confident	68.3	Low	48 Å²	48	64.1 Å²	64.1	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.6	178.7	-85.3	177.9	-2	0	0	110.3	I1549 H1550 S1614	I1549-Q1575 CarbonylContact C-O 3.52Å; I1549-Q1575 VanDerWaalsContact CA-O 3.27Å; I1549-Q1575 WeakPolarHBondContact CA-O 3.35Å; H1550-Q1575 WeakPolarHBondContact CA-O 3.44Å; H1550-Q1575 HydrophobicContact CB-CB 4.01Å; H1550-Q1575 HydrophobicContact CB-CG 3.96Å; H1550-Q1575 WeakPolarHBondContact CB-O 3.17Å; H1550-Q1575 PolarHBondContact CE1-NE2 3.26Å; H1550-Q1575 PolarHBondContact CE1-OE1 2.75Å; H1550-Q1575 PolarHBondContact N-O 3.07Å; H1550-Q1575 PolarHBondContact ND1-OE1 3.16Å; H1550-Q1575 PolarHBondContact NE2-NE2 2.91Å; H1550-Q1575 WeakPolarHBondContact O-CG 3.3Å; H1550-Q1575 PolarHBondContact O-N 3.04Å; Q1575-S1614 VanDerWaalsContact CA-OG 3.31Å; Q1575-S1614 WeakPolarHBondContact CA-OG 3.26Å; Q1575-S1614 VanDerWaalsContact CB-OG 3.31Å; Q1575-S1614 WeakPolarHBondContact CB-OG 3.46Å; Q1575-S1614 VanDerWaalsContact CG-CB 3.43Å; Q1575-S1614 WeakPolarHBondContact CG-O 3.41Å; Q1575-S1614 WeakPolarHBondContact CG-OG 3.43Å; Q1575-S1614 PolarHBondContact NE2-O 2.94Å; Q1575-S1614 VanDerWaalsContact NE2-O 3.17Å
1576	S	70.5	Confident	68.8	Low	28.8 Å²	28.8	64.1 Å²	64.1	20%	0.201	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.5	168.6	-174.8	0	0	0	0	109.5	L1578 S1584	S1576-L1578 VanDerWaalsContact C-N 3.28Å; S1576-L1578 WeakPolarHBondContact CB-O 3.48Å; S1576-L1578 PolarHBondContact OG-N 2.88Å; S1576-L1578 PolarHBondContact OG-O 2.88Å; S1576-S1584 PolarHBondContact N-O 2.67Å; S1576-S1584 VanDerWaalsContact N-O 3.1Å
1577	F	62.9	Low	69.3	Low	94.4 Å²	94.4	63 Å²	63	41%	0.414	31%	0.312	S	S	.	.	S	Bend	trans	-84.9	-16.7	169.7	-71.7	-79.3	0	0	0	112.4	K1544 F1548 H1550 L1579	K1544-F1577 HydrophobicContact CG-CE2 4.21Å; K1544-F1577 HydrophobicContact CG-CZ 4.15Å; F1548-F1577 PolarHBondContact O-N 2.9Å; F1548-F1577 VanDerWaalsContact O-N 3.07Å; H1550-F1577 HydrophobicContact CB-CD2 4.31Å; H1550-F1577 HydrophobicContact CB-CE2 3.82Å; H1550-F1577 HydrophobicContact CB-CZ 3.73Å; H1550-F1577 AromaticContact ND1-CE2 3.67Å; F1577-L1579 PolarHBondContact O-N 3.02Å
1578	L	55.8	Low	69.6	Low	85.6 Å²	85.6	64.7 Å²	64.7	45%	0.448	32%	0.319	S	S	.	.	S	Bend	trans	-97.1	112.3	173.2	-73.3	147.5	0	0	0	109	F1548 S1576 N1580	F1548-L1578 HydrophobicContact CD2-CD1 4.14Å; F1548-L1578 HydrophobicContact CE2-CD1 3.75Å; S1576-L1578 VanDerWaalsContact C-N 3.28Å; S1576-L1578 WeakPolarHBondContact CB-O 3.48Å; S1576-L1578 PolarHBondContact OG-N 2.88Å; S1576-L1578 PolarHBondContact OG-O 2.88Å; L1578-N1580 VanDerWaalsContact C-N 3.31Å; L1578-N1580 PolarHBondContact O-N 3.06Å
1579	L	44.6	Very low	69.7	Low	156.2 Å²	156.2	65.2 Å²	65.2	82%	0.818	32%	0.319	S	S	*	.			trans	-72.2	67.7	174.3	-80.5	158.6	0	0	0	110.6	F1577	F1577-L1579 PolarHBondContact O-N 3.02Å
1580	N	48.7	Very low	69.6	Low	94.6 Å²	94.6	66.1 Å²	66.1	51%	0.506	32%	0.322	S	S	.	.			trans	-82	131.3	166.1	-76.7	-5.2	0	0	0	108.5	L1578 W1582 F1583	L1578-N1580 VanDerWaalsContact C-N 3.31Å; L1578-N1580 PolarHBondContact O-N 3.06Å; N1580-W1582 HydrophobicContact CB-CD2 4.36Å; N1580-W1582 HydrophobicContact CB-CE3 4.07Å; N1580-W1582 HydrophobicContact CB-CZ3 4.27Å; N1580-W1582 PolarHBondContact O-N 3.01Å; N1580-F1583 CarbonylContact O-C 3.52Å; N1580-F1583 PolarHBondContact O-N 3.14Å
1581	H	48.2	Very low	69.8	Low	192.6 Å²	192.6	67.2 Å²	67.2	89%	0.892	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-12.1	-173.9	-73.1	-61.1	0	0	0	115.8
1582	W	48.5	Very low	69.9	Low	226.4 Å²	226.4	68 Å²	68	86%	0.858	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-17.5	-177.4	-44.6	-39.9	0	0	0	114.2	N1580	N1580-W1582 HydrophobicContact CB-CD2 4.36Å; N1580-W1582 HydrophobicContact CB-CE3 4.07Å; N1580-W1582 HydrophobicContact CB-CZ3 4.27Å; N1580-W1582 PolarHBondContact O-N 3.01Å
1583	F	52.8	Low	69.9	Low	83.4 Å²	83.4	68.3 Å²	68.3	37%	0.366	33%	0.331	S	S	.	.			trans	-152	89.9	-178.8	-169.7	-103.6	0	0	0	111.4	V1574 N1580 G1585 F1586	V1574-F1583 HydrophobicContact CB-CE1 4.39Å; V1574-F1583 HydrophobicContact CB-CZ 4.16Å; V1574-F1583 HydrophobicContact CG1-CE1 4.01Å; V1574-F1583 HydrophobicContact CG1-CZ 4.04Å; N1580-F1583 CarbonylContact O-C 3.52Å; N1580-F1583 PolarHBondContact O-N 3.14Å; F1583-G1585 VanDerWaalsContact C-N 3.27Å; F1583-G1585 PolarHBondContact O-N 3.16Å; F1583-F1586 HydrophobicContact CE2-CB 3.95Å; F1583-F1586 HydrophobicContact CZ-CB 3.82Å
1584	S	63.1	Low	69.8	Low	56 Å²	56	70.7 Å²	70.7	39%	0.392	34%	0.342	S	S	.	.	S	Bend	trans	-81.4	-13.8	175.5	46.1	0	0	0	0	113.3	S1576 T1612	S1576-S1584 PolarHBondContact N-O 2.67Å; S1576-S1584 VanDerWaalsContact N-O 3.1Å; S1584-T1612 CarbonylContact C-O 3.48Å; S1584-T1612 VanDerWaalsContact C-O 3.24Å; S1584-T1612 VanDerWaalsContact CB-O 3.27Å; S1584-T1612 WeakPolarHBondContact CB-O 3.39Å; S1584-T1612 VanDerWaalsContact OG-CA 3.26Å; S1584-T1612 WeakPolarHBondContact OG-CA 3.13Å; S1584-T1612 PolarHBondContact OG-O 2.95Å
1585	G	72	Confident	69.7	Low	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.346	C	S	.	.			trans	145.5	163.3	172	0	0	0	0	0	113.2	V1574 F1583 L1611 T1612 N1613	V1574-G1585 CarbonylContact O-C 3.41Å; V1574-G1585 VanDerWaalsContact O-C 3.24Å; V1574-G1585 VanDerWaalsContact O-CA 3.26Å; V1574-G1585 WeakPolarHBondContact O-CA 3.28Å; F1583-G1585 VanDerWaalsContact C-N 3.27Å; F1583-G1585 PolarHBondContact O-N 3.16Å; G1585-L1611 CarbonylContact O-C 3.4Å; G1585-L1611 VanDerWaalsContact O-O 3.09Å; G1585-T1612 PolarHBondContact N-O 3.11Å; G1585-T1612 VanDerWaalsContact N-O 3.07Å; G1585-T1612 CarbonylContact O-C 3.51Å; G1585-T1612 VanDerWaalsContact O-CA 3.26Å; G1585-T1612 WeakPolarHBondContact O-CA 3.31Å; G1585-T1612 PolarHBondContact O-N 3.21Å; G1585-T1612 VanDerWaalsContact O-N 3.11Å; G1585-N1613 CarbonylContact O-C 3.57Å; G1585-N1613 PolarHBondContact O-N 3.42Å
1586	F	78.1	Confident	69.5	Low	49.4 Å²	49.4	72.8 Å²	72.8	22%	0.217	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.1	177.6	177.6	-98.9	0	0	0	110.6	L1572 S1573 V1574 F1583 L1588 S1610 L1611 N1613 S1614	L1572-F1586 HydrophobicContact CD2-CD1 4.16Å; L1572-F1586 HydrophobicContact CD2-CE1 3.82Å; L1572-F1586 HydrophobicContact CD2-CZ 4.41Å; L1572-F1586 HydrophobicContact CG-CD1 4.41Å; L1572-F1586 HydrophobicContact CG-CE1 4.25Å; S1573-F1586 CarbonylContact C-O 3.37Å; S1573-F1586 VanDerWaalsContact CA-O 3.31Å; S1573-F1586 WeakPolarHBondContact CA-O 3.31Å; V1574-F1586 CarbonylContact C-O 3.4Å; V1574-F1586 WeakPolarHBondContact CA-O 3.38Å; V1574-F1586 VanDerWaalsContact CB-C 3.41Å; V1574-F1586 HydrophobicContact CB-CB 4.08Å; V1574-F1586 HydrophobicContact CB-CD1 4.4Å; V1574-F1586 HydrophobicContact CB-CG 4.42Å; V1574-F1586 WeakPolarHBondContact CB-O 3.11Å; V1574-F1586 HydrophobicContact CG1-CB 4Å; V1574-F1586 HydrophobicContact CG1-CD1 4.4Å; V1574-F1586 HydrophobicContact CG2-CB 4.22Å; V1574-F1586 HydrophobicContact CG2-CD1 4.22Å; V1574-F1586 HydrophobicContact CG2-CG 4.06Å; V1574-F1586 WeakPolarHBondContact CG2-O 3.19Å; V1574-F1586 PolarHBondContact N-O 3.11Å; V1574-F1586 PolarHBondContact O-N 2.98Å; V1574-F1586 VanDerWaalsContact O-O 3.11Å; F1583-F1586 HydrophobicContact CE2-CB 3.95Å; F1583-F1586 HydrophobicContact CZ-CB 3.82Å; F1586-L1588 HydrophobicContact CD1-CB 4.46Å; F1586-L1588 HydrophobicContact CE1-CB 3.55Å; F1586-L1588 VanDerWaalsContact CE1-CB 3.48Å; F1586-L1588 HydrophobicContact CE1-CD2 4.33Å; F1586-L1588 HydrophobicContact CE1-CG 4.48Å; F1586-L1588 HydrophobicContact CZ-CB 3.79Å; F1586-L1588 HydrophobicContact CZ-CD1 4.2Å; F1586-L1588 HydrophobicContact CZ-CD2 4.32Å; F1586-L1588 HydrophobicContact CZ-CG 4.46Å; F1586-S1610 CarbonylContact C-O 3.54Å; F1586-S1610 WeakPolarHBondContact CA-O 3.46Å; F1586-S1610 WeakPolarHBondContact CD2-O 3.27Å; F1586-L1611 HydrophobicContact CD2-CD2 4.04Å; F1586-L1611 HydrophobicContact CE2-CD2 4.06Å; F1586-N1613 CarbonylContact C-O 3.43Å; F1586-S1614 WeakPolarHBondContact O-CA 3.3Å
1587	Y	82.6	Confident	69.5	Low	21.2 Å²	21.2	73.1 Å²	73.1	8%	0.083	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	137.3	172.3	-171.1	-89.2	0	0	0	109	M1571 L1572 S1573 N1589 E1608 Y1609 S1610 N1613 S1614 L1615 G1616 M2144 K2145	M1571-Y1587 HydrophobicContact CG-CE1 3.9Å; M1571-Y1587 HydrophobicContact CG-CE2 4.01Å; M1571-Y1587 HydrophobicContact SD-CE1 3.6Å; M1571-Y1587 HydrophobicContact SD-CE2 3.95Å; M1571-Y1587 PolarHBondContact SD-OH 2.83Å; L1572-Y1587 CarbonylContact O-C 3.56Å; L1572-Y1587 WeakPolarHBondContact O-CA 3.4Å; L1572-Y1587 WeakPolarHBondContact O-CD1 3.11Å; S1573-Y1587 WeakPolarHBondContact CB-OH 2.97Å; S1573-Y1587 WeakPolarHBondContact OG-CE2 3.03Å; S1573-Y1587 PolarHBondContact OG-OH 3.1Å; Y1587-N1589 HydrophobicContact CE1-CB 3.78Å; Y1587-N1589 WeakPolarHBondContact OH-CB 3.25Å; Y1587-N1589 PolarHBondContact OH-ND2 3.21Å; Y1587-E1608 HydrophobicContact CE1-CB 4.27Å; Y1587-Y1609 CarbonylContact O-C 3.41Å; Y1587-Y1609 VanDerWaalsContact O-CA 3.23Å; Y1587-Y1609 WeakPolarHBondContact O-CA 3.42Å; Y1587-Y1609 WeakPolarHBondContact O-CB 3.35Å; Y1587-S1610 PolarHBondContact N-O 3.02Å; Y1587-S1610 PolarHBondContact O-N 3.13Å; Y1587-N1613 VanDerWaalsContact CB-O 3.28Å; Y1587-N1613 WeakPolarHBondContact CB-O 3.35Å; Y1587-N1613 PolarHBondContact N-O 3.04Å; Y1587-S1614 WeakPolarHBondContact CD2-O 3.32Å; Y1587-S1614 WeakPolarHBondContact CE2-O 3.36Å; Y1587-L1615 WeakPolarHBondContact CD2-O 3.16Å; Y1587-L1615 WeakPolarHBondContact CE2-O 3.44Å; Y1587-G1616 VanDerWaalsContact CE1-CA 3.44Å; Y1587-M2144 HydrophobicContact CD1-CB 3.94Å; Y1587-M2144 HydrophobicContact CD1-CE 3.15Å; Y1587-M2144 HydrophobicContact CD1-CG 3.94Å; Y1587-M2144 HydrophobicContact CD1-SD 3.54Å; Y1587-M2144 VanDerWaalsContact CD1-SD 3.54Å; Y1587-M2144 HydrophobicContact CD2-CE 3.85Å; Y1587-M2144 HydrophobicContact CD2-CG 4.14Å; Y1587-M2144 HydrophobicContact CD2-SD 3.32Å; Y1587-M2144 WeakPolarHBondContact CD2-SD 3.33Å; Y1587-M2144 HydrophobicContact CE1-CB 3.17Å; Y1587-M2144 HydrophobicContact CE1-CE 3.7Å; Y1587-M2144 HydrophobicContact CE1-CG 3.33Å; Y1587-M2144 HydrophobicContact CE1-SD 3.6Å; Y1587-M2144 VanDerWaalsContact CE1-SD 3.6Å; Y1587-M2144 HydrophobicContact CE2-CB 4.38Å; Y1587-M2144 HydrophobicContact CE2-CE 4.35Å; Y1587-M2144 HydrophobicContact CE2-CG 3.61Å; Y1587-M2144 HydrophobicContact CE2-SD 3.42Å; Y1587-M2144 WeakPolarHBondContact CE2-SD 3.5Å; Y1587-M2144 HydrophobicContact CG-CE 3.25Å; Y1587-M2144 HydrophobicContact CG-CG 4.35Å; Y1587-M2144 HydrophobicContact CG-SD 3.43Å; Y1587-M2144 VanDerWaalsContact CZ-CB 3.45Å; Y1587-M2144 VanDerWaalsContact CZ-SD 3.54Å; Y1587-M2144 WeakPolarHBondContact OH-CB 3.41Å; Y1587-M2144 WeakPolarHBondContact OH-CG 2.83Å; Y1587-K2145 HydrophobicContact CE1-CD 4.4Å; Y1587-K2145 VanDerWaalsContact CE1-CE 3.43Å
1588	L	82.3	Confident	69.8	Low	45.8 Å²	45.8	75.5 Å²	75.5	24%	0.24	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141.2	172.7	-176.5	85.3	0	0	0	108.7	M1571 L1572 F1586 N1590 E1608 M2144 K2145	M1571-L1588 CarbonylContact C-O 3.42Å; M1571-L1588 VanDerWaalsContact CA-O 3.29Å; M1571-L1588 WeakPolarHBondContact CA-O 3.31Å; L1572-L1588 HydrophobicContact CB-CB 4.31Å; L1572-L1588 PolarHBondContact N-O 2.96Å; L1572-L1588 PolarHBondContact O-N 3.06Å; F1586-L1588 HydrophobicContact CD1-CB 4.46Å; F1586-L1588 HydrophobicContact CE1-CB 3.55Å; F1586-L1588 VanDerWaalsContact CE1-CB 3.48Å; F1586-L1588 HydrophobicContact CE1-CD2 4.33Å; F1586-L1588 HydrophobicContact CE1-CG 4.48Å; F1586-L1588 HydrophobicContact CZ-CB 3.79Å; F1586-L1588 HydrophobicContact CZ-CD1 4.2Å; F1586-L1588 HydrophobicContact CZ-CD2 4.32Å; F1586-L1588 HydrophobicContact CZ-CG 4.46Å; L1588-N1590 VanDerWaalsContact CD1-OD1 3.29Å; L1588-N1590 WeakPolarHBondContact CD1-OD1 3.39Å; L1588-N1590 WeakPolarHBondContact CD2-OD1 3.31Å; L1588-N1590 WeakPolarHBondContact CG-OD1 3.14Å; L1588-E1608 CarbonylContact C-O 3.52Å; L1588-E1608 VanDerWaalsContact CA-O 3.32Å; L1588-E1608 WeakPolarHBondContact CA-O 3.39Å; L1588-M2144 WeakPolarHBondContact O-CE 3.3Å; L1588-K2145 WeakPolarHBondContact O-CE 3.21Å; L1588-K2145 PolarHBondContact O-NZ 2.74Å
1589	N	83.7	Confident	70.7	Confident	20.4 Å²	20.4	74.4 Å²	74.4	11%	0.109	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	117	172.2	-172.8	11.4	0	0	0	109.2	N1570 M1571 Y1587 N1591 R1606 T1607 E1608 M2144 K2145	N1570-N1589 CarbonylContact O-C 3.54Å; N1570-N1589 WeakPolarHBondContact O-CA 3.4Å; M1571-N1589 HydrophobicContact CB-CB 4.47Å; M1571-N1589 HydrophobicContact CG-CB 4.24Å; Y1587-N1589 HydrophobicContact CE1-CB 3.78Å; Y1587-N1589 WeakPolarHBondContact OH-CB 3.25Å; Y1587-N1589 PolarHBondContact OH-ND2 3.21Å; N1589-N1591 PolarHBondContact ND2-ND2 3.07Å; N1589-N1591 VanDerWaalsContact ND2-ND2 3.18Å; N1589-N1591 PolarHBondContact O-N 2.83Å; N1589-N1591 PolarHBondContact OD1-N 3.32Å; N1589-R1606 VanDerWaalsContact O-O 3.06Å; N1589-T1607 CarbonylContact O-C 3.47Å; N1589-T1607 VanDerWaalsContact O-CA 3.28Å; N1589-T1607 WeakPolarHBondContact O-CA 3.32Å; N1589-T1607 WeakPolarHBondContact O-CB 2.82Å; N1589-T1607 WeakPolarHBondContact O-CG2 3.27Å; N1589-E1608 HydrophobicContact CB-CB 4.09Å; N1589-E1608 HydrophobicContact CB-CG 3.59Å; N1589-E1608 VanDerWaalsContact CB-N 3.29Å; N1589-E1608 PolarHBondContact N-O 3.06Å; N1589-E1608 PolarHBondContact ND2-OE2 2.9Å; N1589-E1608 PolarHBondContact O-N 2.94Å; N1589-E1608 VanDerWaalsContact O-N 3.08Å; N1589-M2144 PolarHBondContact ND2-O 2.8Å; N1589-K2145 HydrophobicContact CB-CD 3.81Å; N1589-K2145 HydrophobicContact CB-CG 4.49Å; N1589-K2145 VanDerWaalsContact CG-CD 3.47Å; N1589-K2145 WeakPolarHBondContact OD1-CD 3.05Å; N1589-K2145 WeakPolarHBondContact OD1-CG 3.13Å
1590	N	82.1	Confident	72.3	Confident	44 Å²	44	69.3 Å²	69.3	24%	0.235	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	96.8	-178.8	-58.6	3	0	0	0	109.7	S1569 N1570 L1588 Y1592 I1605 R1606 T1607	S1569-N1590 CarbonylContact C-O 3.48Å; S1569-N1590 VanDerWaalsContact CA-O 3.28Å; S1569-N1590 WeakPolarHBondContact CA-O 3.18Å; N1570-N1590 HydrophobicContact CB-CB 4.31Å; N1570-N1590 PolarHBondContact N-O 3Å; N1570-N1590 PolarHBondContact O-N 3.1Å; N1570-N1590 VanDerWaalsContact O-N 3.17Å; N1570-N1590 PolarHBondContact O-OD1 3.47Å; L1588-N1590 VanDerWaalsContact CD1-OD1 3.29Å; L1588-N1590 WeakPolarHBondContact CD1-OD1 3.39Å; L1588-N1590 WeakPolarHBondContact CD2-OD1 3.31Å; L1588-N1590 WeakPolarHBondContact CG-OD1 3.14Å; N1590-Y1592 VanDerWaalsContact O-CD1 3.28Å; N1590-Y1592 WeakPolarHBondContact O-CD1 3.12Å; N1590-Y1592 PolarHBondContact O-N 3.34Å; N1590-I1605 HydrophobicContact CB-CG2 4.12Å; N1590-R1606 CarbonylContact C-O 3.47Å; N1590-R1606 WeakPolarHBondContact CA-O 3.09Å; N1590-T1607 HydrophobicContact CB-CG2 4.06Å; N1590-T1607 VanDerWaalsContact CG-CG2 3.46Å; N1590-T1607 WeakPolarHBondContact ND2-CG2 3.28Å; N1590-T1607 WeakPolarHBondContact OD1-CB 3.37Å; N1590-T1607 WeakPolarHBondContact OD1-CG2 3.26Å
1591	N	86	Confident	73.8	Confident	58.6 Å²	58.6	69.2 Å²	69.2	31%	0.313	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.4	168.1	-64.9	-50	0	0	0	109.3	G1568 S1569 N1589 I1605 R1606	G1568-N1591 CarbonylContact O-C 3.59Å; G1568-N1591 WeakPolarHBondContact O-CA 3.36Å; S1569-N1591 WeakPolarHBondContact CB-OD1 3.33Å; N1589-N1591 PolarHBondContact ND2-ND2 3.07Å; N1589-N1591 VanDerWaalsContact ND2-ND2 3.18Å; N1589-N1591 PolarHBondContact O-N 2.83Å; N1589-N1591 PolarHBondContact OD1-N 3.32Å; N1591-I1605 CarbonylContact O-C 3.53Å; N1591-I1605 VanDerWaalsContact O-CA 3.3Å; N1591-I1605 WeakPolarHBondContact O-CA 3.27Å; N1591-R1606 HydrophobicContact CB-CB 4.19Å; N1591-R1606 WeakPolarHBondContact CB-O 3.33Å; N1591-R1606 PolarHBondContact N-O 2.94Å; N1591-R1606 PolarHBondContact ND2-O 2.85Å; N1591-R1606 PolarHBondContact O-N 3.12Å
1592	Y	84.6	Confident	75.6	Confident	53 Å²	53	60.8 Å²	60.8	21%	0.208	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147	177.8	62.4	-88.1	0	0	0	111.9	F1555 K1556 H1557 I1566 G1567 G1568 N1570 N1590 E1604	F1555-Y1592 WeakPolarHBondContact CZ-OH 3.06Å; K1556-Y1592 PolarHBondContact O-OH 3.32Å; H1557-Y1592 WeakPolarHBondContact CB-OH 3.28Å; H1557-Y1592 AromaticContact ND1-CE2 3.81Å; H1557-Y1592 WeakPolarHBondContact ND1-CE2 3.32Å; H1557-Y1592 AromaticContact ND1-CZ 3.75Å; H1557-Y1592 PolarHBondContact ND1-OH 2.96Å; I1566-Y1592 HydrophobicContact CG2-CE2 4.41Å; G1567-Y1592 CarbonylContact C-O 3.4Å; G1567-Y1592 VanDerWaalsContact C-O 3.31Å; G1567-Y1592 VanDerWaalsContact CA-O 3.23Å; G1567-Y1592 WeakPolarHBondContact CA-O 3.38Å; G1568-Y1592 PolarHBondContact N-O 3.16Å; G1568-Y1592 WeakPolarHBondContact O-CD1 3.38Å; G1568-Y1592 PolarHBondContact O-N 2.89Å; G1568-Y1592 VanDerWaalsContact O-O 3.13Å; N1570-Y1592 WeakPolarHBondContact OD1-CE1 3.07Å; N1590-Y1592 VanDerWaalsContact O-CD1 3.28Å; N1590-Y1592 WeakPolarHBondContact O-CD1 3.12Å; N1590-Y1592 PolarHBondContact O-N 3.34Å; Y1592-E1604 CarbonylContact C-O 3.47Å; Y1592-E1604 VanDerWaalsContact CA-O 3.27Å; Y1592-E1604 WeakPolarHBondContact CA-O 3.26Å; Y1592-E1604 WeakPolarHBondContact CB-O 3.37Å
1593	I	82.9	Confident	77.3	Confident	53 Å²	53	53.9 Å²	53.9	27%	0.272	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	117.5	177.8	-54	175.7	0	0	0	108.9	H1565 I1566 Q1595 L1602 F1603 E1604	H1565-I1593 VanDerWaalsContact CE1-CG2 3.44Å; H1565-I1593 WeakPolarHBondContact CE1-CG2 3.25Å; I1566-I1593 CarbonylContact O-C 3.53Å; I1566-I1593 WeakPolarHBondContact O-CA 3.39Å; I1593-Q1595 PolarHBondContact O-N 3.25Å; I1593-L1602 HydrophobicContact CB-CD2 3.93Å; I1593-L1602 HydrophobicContact CB-CG 4.34Å; I1593-L1602 HydrophobicContact CG2-CD2 3.93Å; I1593-L1602 HydrophobicContact CG2-CG 4.43Å; I1593-L1602 CarbonylContact O-C 3.45Å; I1593-L1602 WeakPolarHBondContact O-CG 3.46Å; I1593-F1603 CarbonylContact O-C 3.49Å; I1593-F1603 WeakPolarHBondContact O-CA 3.31Å; I1593-F1603 PolarHBondContact O-N 2.66Å; I1593-E1604 HydrophobicContact CB-CB 4.26Å; I1593-E1604 HydrophobicContact CG1-CB 4.19Å; I1593-E1604 PolarHBondContact N-O 3.13Å; I1593-E1604 PolarHBondContact O-N 3.22Å
1594	L	80.6	Confident	78.8	Confident	54.2 Å²	54.2	50.6 Å²	50.6	28%	0.284	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	107.4	170.8	176.1	67.8	0	0	0	108.5	H1565 I1566 L1596 L1602 F1603	H1565-L1594 CarbonylContact C-O 3.53Å; H1565-L1594 WeakPolarHBondContact CA-O 3.42Å; I1566-L1594 WeakPolarHBondContact CA-O 3.27Å; I1566-L1594 HydrophobicContact CB-CB 4.24Å; I1566-L1594 HydrophobicContact CB-CG 4.4Å; I1566-L1594 WeakPolarHBondContact CB-O 2.95Å; I1566-L1594 HydrophobicContact CD1-CD2 4.3Å; I1566-L1594 PolarHBondContact N-O 2.82Å; I1566-L1594 WeakPolarHBondContact O-CA 3.17Å; I1566-L1594 WeakPolarHBondContact O-CB 3.47Å; I1566-L1594 PolarHBondContact O-N 3.05Å; I1566-L1594 VanDerWaalsContact O-O 3.09Å; L1594-L1596 HydrophobicContact CD1-CD1 4.08Å; L1594-L1596 HydrophobicContact CD1-CD2 4.23Å; L1594-L1596 HydrophobicContact CD1-CG 4.23Å; L1594-L1596 HydrophobicContact CD2-CD1 4.32Å; L1594-L1596 HydrophobicContact CD2-CG 4.47Å; L1594-L1596 HydrophobicContact CG-CD1 4.27Å; L1594-L1596 HydrophobicContact CG-CG 4.3Å; L1594-L1602 CarbonylContact C-O 3.45Å; L1594-L1602 VanDerWaalsContact C-O 3.27Å; L1594-L1602 VanDerWaalsContact CA-O 3.31Å; L1594-L1602 WeakPolarHBondContact CA-O 3.31Å; L1594-F1603 HydrophobicContact CB-CD2 4.4Å; L1594-F1603 HydrophobicContact CD1-CB 4.32Å; L1594-F1603 HydrophobicContact CD1-CD2 4.23Å
1595	Q	76.8	Confident	79.7	Confident	38.2 Å²	38.2	50.1 Å²	50.1	18%	0.179	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.6	175.7	-171.8	173.1	0.1	0	0	109.5	H1565 I1593 N1597 Q1600 K1601 L1602	H1565-Q1595 HydrophobicContact CB-CB 4.41Å; H1565-Q1595 HydrophobicContact CB-CG 4.16Å; I1593-Q1595 PolarHBondContact O-N 3.25Å; Q1595-N1597 VanDerWaalsContact CD-OD1 3.3Å; Q1595-N1597 WeakPolarHBondContact CG-OD1 3.3Å; Q1595-N1597 VanDerWaalsContact NE2-CG 3.31Å; Q1595-N1597 PolarHBondContact NE2-ND2 3.19Å; Q1595-N1597 VanDerWaalsContact NE2-ND2 3.11Å; Q1595-N1597 PolarHBondContact NE2-OD1 3.19Å; Q1595-Q1600 CarbonylContact C-O 3.34Å; Q1595-K1601 CarbonylContact O-C 3.48Å; Q1595-K1601 VanDerWaalsContact O-C 3.26Å; Q1595-K1601 WeakPolarHBondContact O-CA 3.2Å; Q1595-L1602 HydrophobicContact CB-CB 3.8Å; Q1595-L1602 VanDerWaalsContact CB-CB 3.44Å; Q1595-L1602 HydrophobicContact CB-CD2 4.49Å; Q1595-L1602 PolarHBondContact N-O 3.01Å; Q1595-L1602 PolarHBondContact O-N 2.87Å; Q1595-L1602 VanDerWaalsContact O-O 3.04Å
1596	L	72.3	Confident	80.4	Confident	73.4 Å²	73.4	55.6 Å²	55.6	38%	0.384	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	60	-179.7	-64.4	173.8	0	0	0	110.6	D1563 Y1564 L1594 Q1600 K1601	D1563-L1596 CarbonylContact O-C 3.54Å; D1563-L1596 VanDerWaalsContact O-C 3.3Å; Y1564-L1596 PolarHBondContact O-N 3.23Å; Y1564-L1596 VanDerWaalsContact O-N 3.14Å; L1594-L1596 HydrophobicContact CD1-CD1 4.08Å; L1594-L1596 HydrophobicContact CD1-CD2 4.23Å; L1594-L1596 HydrophobicContact CD1-CG 4.23Å; L1594-L1596 HydrophobicContact CD2-CD1 4.32Å; L1594-L1596 HydrophobicContact CD2-CG 4.47Å; L1594-L1596 HydrophobicContact CG-CD1 4.27Å; L1594-L1596 HydrophobicContact CG-CG 4.3Å; L1596-Q1600 CarbonylContact C-O 3.3Å; L1596-Q1600 WeakPolarHBondContact CA-O 3.26Å; L1596-Q1600 PolarHBondContact N-O 3.02Å; L1596-K1601 HydrophobicContact CD2-CB 4.08Å; L1596-K1601 HydrophobicContact CD2-CD 4.46Å; L1596-K1601 HydrophobicContact CD2-CG 4.04Å
1597	N	71	Confident	80.6	Confident	34.6 Å²	34.6	54.1 Å²	54.1	19%	0.185	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	158.4	174.1	-68.3	30.3	0	0	0	110.1	D1563 Q1595 N1599 Q1600	D1563-N1597 HydrophobicContact CB-CB 4.34Å; D1563-N1597 WeakPolarHBondContact CB-OD1 3.35Å; D1563-N1597 VanDerWaalsContact CG-OD1 3.24Å; D1563-N1597 VanDerWaalsContact O-CA 3.24Å; D1563-N1597 WeakPolarHBondContact O-CA 3.35Å; D1563-N1597 PolarHBondContact O-N 2.84Å; D1563-N1597 PolarHBondContact O-OD1 3.02Å; D1563-N1597 VanDerWaalsContact O-OD1 3.09Å; D1563-N1597 VanDerWaalsContact OD1-CB 3.26Å; D1563-N1597 WeakPolarHBondContact OD1-CB 3.5Å; D1563-N1597 PolarHBondContact OD1-ND2 3.01Å; D1563-N1597 VanDerWaalsContact OD1-ND2 3.1Å; D1563-N1597 PolarHBondContact OD2-ND2 3.14Å; D1563-N1597 PolarHBondContact OD2-OD1 2.83Å; Q1595-N1597 VanDerWaalsContact CD-OD1 3.3Å; Q1595-N1597 WeakPolarHBondContact CG-OD1 3.3Å; Q1595-N1597 VanDerWaalsContact NE2-CG 3.31Å; Q1595-N1597 PolarHBondContact NE2-ND2 3.19Å; Q1595-N1597 VanDerWaalsContact NE2-ND2 3.11Å; Q1595-N1597 PolarHBondContact NE2-OD1 3.19Å; N1597-N1599 PolarHBondContact O-N 2.95Å; N1597-N1599 VanDerWaalsContact O-N 3.1Å; N1597-Q1600 WeakPolarHBondContact CA-O 3.44Å; N1597-Q1600 HydrophobicContact CB-CB 4.21Å; N1597-Q1600 PolarHBondContact N-O 3.02Å; N1597-Q1600 PolarHBondContact O-N 2.96Å; N1597-Q1600 VanDerWaalsContact O-N 3.14Å; N1597-Q1600 VanDerWaalsContact O-O 3.12Å
1598	L	68.9	Low	80.6	Confident	145.2 Å²	145.2	55.5 Å²	55.5	76%	0.76	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-23.7	172.6	-72.6	171	0	0	0	114.1	H1629	L1598-H1629 PolarHBondContact O-CE1 3.04Å; L1598-H1629 PolarHBondContact O-NE2 3.11Å; L1598-H1629 VanDerWaalsContact O-NE2 3.17Å
1599	N	74.5	Confident	80.4	Confident	62.4 Å²	62.4	54.9 Å²	54.9	33%	0.334	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-5.7	-173.2	-71.2	30.1	0	0	0	113.1	I1447 K1448 N1597 K1628 H1629 D1630 K1631	I1447-N1599 WeakPolarHBondContact O-CB 2.91Å; I1447-N1599 VanDerWaalsContact O-CG 3.23Å; I1447-N1599 PolarHBondContact O-ND2 2.8Å; K1448-N1599 VanDerWaalsContact CA-OD1 3.26Å; K1448-N1599 WeakPolarHBondContact CA-OD1 3.4Å; K1448-N1599 VanDerWaalsContact N-CG 3.26Å; K1448-N1599 PolarHBondContact N-ND2 2.81Å; K1448-N1599 PolarHBondContact N-OD1 3.35Å; K1448-N1599 VanDerWaalsContact N-OD1 3.16Å; K1448-N1599 PolarHBondContact O-OD1 3.37Å; N1597-N1599 PolarHBondContact O-N 2.95Å; N1597-N1599 VanDerWaalsContact O-N 3.1Å; N1599-K1628 CarbonylContact O-C 3.27Å; N1599-K1628 WeakPolarHBondContact O-CA 3.22Å; N1599-K1628 WeakPolarHBondContact O-CG 3.37Å; N1599-H1629 CarbonylContact C-O 3.52Å; N1599-H1629 WeakPolarHBondContact CA-O 3.41Å; N1599-H1629 VanDerWaalsContact CB-O 3.26Å; N1599-H1629 WeakPolarHBondContact CB-O 3.33Å; N1599-H1629 PolarHBondContact ND2-O 2.91Å; N1599-H1629 PolarHBondContact O-N 3.23Å; N1599-H1629 VanDerWaalsContact O-O 3.06Å; N1599-D1630 VanDerWaalsContact ND2-CA 3.26Å; N1599-D1630 WeakPolarHBondContact ND2-CA 3.06Å; N1599-K1631 PolarHBondContact ND2-N 2.81Å; N1599-K1631 VanDerWaalsContact ND2-N 3.18Å; N1599-K1631 WeakPolarHBondContact OD1-CG 3.22Å
1600	Q	78.1	Confident	80	Confident	49.2 Å²	49.2	54.5 Å²	54.5	23%	0.23	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	124.2	-176.1	-158.6	173.6	-7.4	0	0	112	Q1595 L1596 N1597 N1626 F1627 K1628	Q1595-Q1600 CarbonylContact C-O 3.34Å; L1596-Q1600 CarbonylContact C-O 3.3Å; L1596-Q1600 WeakPolarHBondContact CA-O 3.26Å; L1596-Q1600 PolarHBondContact N-O 3.02Å; N1597-Q1600 WeakPolarHBondContact CA-O 3.44Å; N1597-Q1600 HydrophobicContact CB-CB 4.21Å; N1597-Q1600 PolarHBondContact N-O 3.02Å; N1597-Q1600 PolarHBondContact O-N 2.96Å; N1597-Q1600 VanDerWaalsContact O-N 3.14Å; N1597-Q1600 VanDerWaalsContact O-O 3.12Å; Q1600-N1626 PolarHBondContact NE2-ND2 3.27Å; Q1600-N1626 PolarHBondContact NE2-OD1 3.16Å; Q1600-N1626 VanDerWaalsContact NE2-OD1 3.09Å; Q1600-F1627 CarbonylContact C-O 3.53Å; Q1600-F1627 VanDerWaalsContact CA-O 3.25Å; Q1600-F1627 WeakPolarHBondContact CA-O 3.29Å; Q1600-K1628 HydrophobicContact CB-CB 4.49Å; Q1600-K1628 HydrophobicContact CB-CG 4.11Å; Q1600-K1628 HydrophobicContact CG-CB 4.05Å; Q1600-K1628 HydrophobicContact CG-CG 3.85Å
1601	K	81.4	Confident	79.4	Confident	92.4 Å²	92.4	57.4 Å²	57.4	40%	0.402	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	99	174.4	-57	177.5	-173.3	163.5	0	109.1	Q1595 L1596 N1626 F1627 H1629 Y1633	Q1595-K1601 CarbonylContact O-C 3.48Å; Q1595-K1601 VanDerWaalsContact O-C 3.26Å; Q1595-K1601 WeakPolarHBondContact O-CA 3.2Å; L1596-K1601 HydrophobicContact CD2-CB 4.08Å; L1596-K1601 HydrophobicContact CD2-CD 4.46Å; L1596-K1601 HydrophobicContact CD2-CG 4.04Å; K1601-N1626 CarbonylContact O-C 3.53Å; K1601-N1626 WeakPolarHBondContact O-CA 3.36Å; K1601-F1627 HydrophobicContact CB-CB 4.32Å; K1601-F1627 HydrophobicContact CB-CD1 4.37Å; K1601-F1627 HydrophobicContact CD-CD1 4.32Å; K1601-F1627 HydrophobicContact CG-CD1 4.43Å; K1601-F1627 PolarHBondContact N-O 2.86Å; K1601-F1627 PolarHBondContact O-N 2.87Å; K1601-H1629 PolarHBondContact NZ-NE2 3.42Å; K1601-Y1633 PolarHBondContact NZ-OH 2.83Å
1602	L	84.2	Confident	78.6	Confident	16 Å²	16	58.4 Å²	58.4	8%	0.084	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.2	176.2	177.8	68	0	0	0	109.7	I1593 L1594 Q1595 E1604 R1624 I1625 N1626	I1593-L1602 HydrophobicContact CB-CD2 3.93Å; I1593-L1602 HydrophobicContact CB-CG 4.34Å; I1593-L1602 HydrophobicContact CG2-CD2 3.93Å; I1593-L1602 HydrophobicContact CG2-CG 4.43Å; I1593-L1602 CarbonylContact O-C 3.45Å; I1593-L1602 WeakPolarHBondContact O-CG 3.46Å; L1594-L1602 CarbonylContact C-O 3.45Å; L1594-L1602 VanDerWaalsContact C-O 3.27Å; L1594-L1602 VanDerWaalsContact CA-O 3.31Å; L1594-L1602 WeakPolarHBondContact CA-O 3.31Å; Q1595-L1602 HydrophobicContact CB-CB 3.8Å; Q1595-L1602 VanDerWaalsContact CB-CB 3.44Å; Q1595-L1602 HydrophobicContact CB-CD2 4.49Å; Q1595-L1602 PolarHBondContact N-O 3.01Å; Q1595-L1602 PolarHBondContact O-N 2.87Å; Q1595-L1602 VanDerWaalsContact O-O 3.04Å; L1602-E1604 HydrophobicContact CD1-CB 4.23Å; L1602-E1604 HydrophobicContact CG-CB 4.35Å; L1602-R1624 HydrophobicContact CD1-CG 4.21Å; L1602-I1625 CarbonylContact C-O 3.42Å; L1602-I1625 WeakPolarHBondContact CA-O 3.35Å; L1602-N1626 WeakPolarHBondContact CB-OD1 3.45Å; L1602-N1626 HydrophobicContact CD1-CB 3.58Å; L1602-N1626 VanDerWaalsContact CD1-CB 3.44Å; L1602-N1626 VanDerWaalsContact CD1-CG 3.46Å; L1602-N1626 WeakPolarHBondContact CD1-OD1 3.14Å
1603	F	84.1	Confident	78.1	Confident	81 Å²	81	60.1 Å²	60.1	36%	0.355	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	111.7	164.7	172.8	-100.9	0	0	0	107.6	I1593 L1594 I1605 I1623 R1624 I1625	I1593-F1603 CarbonylContact O-C 3.49Å; I1593-F1603 WeakPolarHBondContact O-CA 3.31Å; I1593-F1603 PolarHBondContact O-N 2.66Å; L1594-F1603 HydrophobicContact CB-CD2 4.4Å; L1594-F1603 HydrophobicContact CD1-CB 4.32Å; L1594-F1603 HydrophobicContact CD1-CD2 4.23Å; F1603-I1605 HydrophobicContact CE1-CD1 3.96Å; F1603-I1605 HydrophobicContact CE1-CG1 4.12Å; F1603-I1605 HydrophobicContact CE2-CD1 4.09Å; F1603-I1605 HydrophobicContact CE2-CG1 4.22Å; F1603-I1605 HydrophobicContact CZ-CD1 3.37Å; F1603-I1605 VanDerWaalsContact CZ-CD1 3.48Å; F1603-I1605 HydrophobicContact CZ-CG1 3.76Å; F1603-I1623 HydrophobicContact CE1-CG2 4.41Å; F1603-R1624 CarbonylContact O-C 3.42Å; F1603-R1624 WeakPolarHBondContact O-CA 3.38Å; F1603-I1625 HydrophobicContact CB-CB 4.39Å; F1603-I1625 HydrophobicContact CD1-CB 4.44Å; F1603-I1625 HydrophobicContact CD1-CD1 4.19Å; F1603-I1625 HydrophobicContact CD1-CG1 4.32Å; F1603-I1625 PolarHBondContact N-O 3.02Å; F1603-I1625 PolarHBondContact O-N 3.17Å
1604	E	85.8	Confident	77.6	Confident	15.4 Å²	15.4	58.3 Å²	58.3	7%	0.072	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.8	176.8	-168.8	167.7	-165.6	0	0	109.9	Y1592 I1593 L1602 R1606 I1623 R1624	Y1592-E1604 CarbonylContact C-O 3.47Å; Y1592-E1604 VanDerWaalsContact CA-O 3.27Å; Y1592-E1604 WeakPolarHBondContact CA-O 3.26Å; Y1592-E1604 WeakPolarHBondContact CB-O 3.37Å; I1593-E1604 HydrophobicContact CB-CB 4.26Å; I1593-E1604 HydrophobicContact CG1-CB 4.19Å; I1593-E1604 PolarHBondContact N-O 3.13Å; I1593-E1604 PolarHBondContact O-N 3.22Å; L1602-E1604 HydrophobicContact CD1-CB 4.23Å; L1602-E1604 HydrophobicContact CG-CB 4.35Å; E1604-R1606 VanDerWaalsContact CD-NE 3.33Å; E1604-R1606 VanDerWaalsContact CD-NH2 3.27Å; E1604-R1606 HydrophobicContact CG-CG 4.2Å; E1604-R1606 IonicContact OE1-CZ 3.09Å; E1604-R1606 VanDerWaalsContact OE1-CZ 3.24Å; E1604-R1606 IonicContact OE1-NE 3.12Å; E1604-R1606 PolarHBondContact OE1-NE 2.95Å; E1604-R1606 IonicContact OE1-NH2 3.07Å; E1604-R1606 PolarHBondContact OE1-NH2 2.9Å; E1604-R1606 IonicContact OE2-CZ 3.08Å; E1604-R1606 IonicContact OE2-NE 3.07Å; E1604-R1606 PolarHBondContact OE2-NE 3.01Å; E1604-R1606 IonicContact OE2-NH2 3.37Å; E1604-R1606 PolarHBondContact OE2-NH2 3.34Å; E1604-R1606 VanDerWaalsContact OE2-NH2 3.1Å; E1604-I1623 CarbonylContact C-O 3.51Å; E1604-I1623 WeakPolarHBondContact CA-O 3.28Å; E1604-R1624 HydrophobicContact CB-CG 4.4Å; E1604-R1624 VanDerWaalsContact CD-NE 3.29Å; E1604-R1624 HydrophobicContact CG-CB 4.28Å; E1604-R1624 HydrophobicContact CG-CG 4.26Å; E1604-R1624 WeakPolarHBondContact OE1-CD 3.1Å; E1604-R1624 IonicContact OE1-NE 3.61Å; E1604-R1624 PolarHBondContact OE1-NE 2.89Å; E1604-R1624 IonicContact OE1-NH1 2.65Å; E1604-R1624 WeakPolarHBondContact OE2-CD 3.41Å; E1604-R1624 IonicContact OE2-CZ 2.67Å; E1604-R1624 IonicContact OE2-NE 3.44Å; E1604-R1624 PolarHBondContact OE2-NE 2.72Å
1605	I	82.5	Confident	77.3	Confident	45.2 Å²	45.2	61.5 Å²	61.5	23%	0.232	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.3	166.3	-61.1	179.7	0	0	0	107.2	N1590 N1591 F1603 T1607 R1622 I1623	N1590-I1605 HydrophobicContact CB-CG2 4.12Å; N1591-I1605 CarbonylContact O-C 3.53Å; N1591-I1605 VanDerWaalsContact O-CA 3.3Å; N1591-I1605 WeakPolarHBondContact O-CA 3.27Å; F1603-I1605 HydrophobicContact CE1-CD1 3.96Å; F1603-I1605 HydrophobicContact CE1-CG1 4.12Å; F1603-I1605 HydrophobicContact CE2-CD1 4.09Å; F1603-I1605 HydrophobicContact CE2-CG1 4.22Å; F1603-I1605 HydrophobicContact CZ-CD1 3.37Å; F1603-I1605 VanDerWaalsContact CZ-CD1 3.48Å; F1603-I1605 HydrophobicContact CZ-CG1 3.76Å; I1605-T1607 HydrophobicContact CB-CG2 4.48Å; I1605-T1607 HydrophobicContact CG2-CG2 3.54Å; I1605-T1607 VanDerWaalsContact CG2-CG2 3.47Å; I1605-T1607 PolarHBondContact O-N 3.41Å; I1605-R1622 CarbonylContact O-C 3.55Å; I1605-R1622 VanDerWaalsContact O-CA 3.31Å; I1605-R1622 WeakPolarHBondContact O-CA 3.41Å; I1605-I1623 CarbonylContact C-O 3.44Å; I1605-I1623 WeakPolarHBondContact CA-O 3.49Å; I1605-I1623 HydrophobicContact CB-CB 4.45Å; I1605-I1623 PolarHBondContact N-O 3.03Å; I1605-I1623 WeakPolarHBondContact O-CA 3.15Å; I1605-I1623 PolarHBondContact O-N 2.96Å; I1605-I1623 VanDerWaalsContact O-O 3.06Å
1606	R	85.7	Confident	76.9	Confident	114.6 Å²	114.6	61.5 Å²	61.5	43%	0.432	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	102.3	167.3	-59.1	-178.3	-171.8	168.1	10.1	107.7	N1589 N1590 N1591 E1604 I1621 R1622	N1589-R1606 VanDerWaalsContact O-O 3.06Å; N1590-R1606 CarbonylContact C-O 3.47Å; N1590-R1606 WeakPolarHBondContact CA-O 3.09Å; N1591-R1606 HydrophobicContact CB-CB 4.19Å; N1591-R1606 WeakPolarHBondContact CB-O 3.33Å; N1591-R1606 PolarHBondContact N-O 2.94Å; N1591-R1606 PolarHBondContact ND2-O 2.85Å; N1591-R1606 PolarHBondContact O-N 3.12Å; E1604-R1606 VanDerWaalsContact CD-NE 3.33Å; E1604-R1606 VanDerWaalsContact CD-NH2 3.27Å; E1604-R1606 HydrophobicContact CG-CG 4.2Å; E1604-R1606 IonicContact OE1-CZ 3.09Å; E1604-R1606 VanDerWaalsContact OE1-CZ 3.24Å; E1604-R1606 IonicContact OE1-NE 3.12Å; E1604-R1606 PolarHBondContact OE1-NE 2.95Å; E1604-R1606 IonicContact OE1-NH2 3.07Å; E1604-R1606 PolarHBondContact OE1-NH2 2.9Å; E1604-R1606 IonicContact OE2-CZ 3.08Å; E1604-R1606 IonicContact OE2-NE 3.07Å; E1604-R1606 PolarHBondContact OE2-NE 3.01Å; E1604-R1606 IonicContact OE2-NH2 3.37Å; E1604-R1606 PolarHBondContact OE2-NH2 3.34Å; E1604-R1606 VanDerWaalsContact OE2-NH2 3.1Å; R1606-I1621 CarbonylContact C-O 3.55Å; R1606-R1622 HydrophobicContact CB-CB 4.39Å; R1606-R1622 HydrophobicContact CB-CG 4.26Å; R1606-R1622 HydrophobicContact CG-CB 4.12Å; R1606-R1622 HydrophobicContact CG-CG 4.21Å
1607	T	81.3	Confident	76.6	Confident	19.2 Å²	19.2	62.9 Å²	62.9	12%	0.118	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	148.7	168.3	75.9	0	0	0	0	110.5	N1589 N1590 I1605 P1620 I1621 R1622	N1589-T1607 CarbonylContact O-C 3.47Å; N1589-T1607 VanDerWaalsContact O-CA 3.28Å; N1589-T1607 WeakPolarHBondContact O-CA 3.32Å; N1589-T1607 WeakPolarHBondContact O-CB 2.82Å; N1589-T1607 WeakPolarHBondContact O-CG2 3.27Å; N1590-T1607 HydrophobicContact CB-CG2 4.06Å; N1590-T1607 VanDerWaalsContact CG-CG2 3.46Å; N1590-T1607 WeakPolarHBondContact ND2-CG2 3.28Å; N1590-T1607 WeakPolarHBondContact OD1-CB 3.37Å; N1590-T1607 WeakPolarHBondContact OD1-CG2 3.26Å; I1605-T1607 HydrophobicContact CB-CG2 4.48Å; I1605-T1607 HydrophobicContact CG2-CG2 3.54Å; I1605-T1607 VanDerWaalsContact CG2-CG2 3.47Å; I1605-T1607 PolarHBondContact O-N 3.41Å; T1607-P1620 CarbonylContact O-C 3.57Å; T1607-P1620 WeakPolarHBondContact O-CA 3.37Å; T1607-I1621 CarbonylContact C-O 3.54Å; T1607-I1621 WeakPolarHBondContact CA-O 3.22Å; T1607-I1621 WeakPolarHBondContact CB-O 3.33Å; T1607-I1621 PolarHBondContact N-O 3.06Å; T1607-I1621 CarbonylContact O-C 3.5Å; T1607-I1621 VanDerWaalsContact O-CA 3.28Å; T1607-I1621 WeakPolarHBondContact O-CA 3.12Å; T1607-I1621 PolarHBondContact O-N 3.15Å; T1607-I1621 VanDerWaalsContact O-O 3.07Å; T1607-I1621 VanDerWaalsContact OG1-CB 3.28Å; T1607-I1621 WeakPolarHBondContact OG1-CB 3.26Å; T1607-I1621 WeakPolarHBondContact OG1-CG2 3.12Å; T1607-I1621 PolarHBondContact OG1-O 2.91Å; T1607-R1622 PolarHBondContact O-N 2.68Å
1608	E	82.6	Confident	76.7	Confident	50.6 Å²	50.6	61.8 Å²	61.8	24%	0.236	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.7	167.2	-63.5	176.3	177	0	0	106	Y1587 L1588 N1589 S1619 P1620 R1622 T2143 M2144	Y1587-E1608 HydrophobicContact CE1-CB 4.27Å; L1588-E1608 CarbonylContact C-O 3.52Å; L1588-E1608 VanDerWaalsContact CA-O 3.32Å; L1588-E1608 WeakPolarHBondContact CA-O 3.39Å; N1589-E1608 HydrophobicContact CB-CB 4.09Å; N1589-E1608 HydrophobicContact CB-CG 3.59Å; N1589-E1608 VanDerWaalsContact CB-N 3.29Å; N1589-E1608 PolarHBondContact N-O 3.06Å; N1589-E1608 PolarHBondContact ND2-OE2 2.9Å; N1589-E1608 PolarHBondContact O-N 2.94Å; N1589-E1608 VanDerWaalsContact O-N 3.08Å; E1608-S1619 CarbonylContact C-O 3.6Å; E1608-S1619 VanDerWaalsContact C-O 3.25Å; E1608-S1619 WeakPolarHBondContact CA-O 3.1Å; E1608-P1620 HydrophobicContact CG-CB 4.24Å; E1608-R1622 IonicContact OE1-CZ 2.68Å; E1608-R1622 IonicContact OE1-NE 2.69Å; E1608-R1622 PolarHBondContact OE1-NE 2.69Å; E1608-R1622 IonicContact OE1-NH2 2.73Å; E1608-R1622 PolarHBondContact OE1-NH2 3.01Å; E1608-T2143 HydrophobicContact CB-CG2 4.38Å; E1608-T2143 WeakPolarHBondContact CB-O 3.23Å; E1608-T2143 HydrophobicContact CG-CG2 4.03Å; E1608-T2143 WeakPolarHBondContact OE1-CG2 3.4Å; E1608-T2143 PolarHBondContact OE1-OG1 2.95Å; E1608-T2143 VanDerWaalsContact OE1-OG1 3.14Å; E1608-T2143 PolarHBondContact OE2-OG1 3.06Å; E1608-M2144 PolarHBondContact OE2-N 3.36Å
1609	Y	79.5	Confident	77	Confident	33.2 Å²	33.2	56.3 Å²	56.3	13%	0.13	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150.1	-179.6	77.3	-77.1	0	0	0	111.9	Y1587 L1611 G1618 S1619 I1621 L1646	Y1587-Y1609 CarbonylContact O-C 3.41Å; Y1587-Y1609 VanDerWaalsContact O-CA 3.23Å; Y1587-Y1609 WeakPolarHBondContact O-CA 3.42Å; Y1587-Y1609 WeakPolarHBondContact O-CB 3.35Å; Y1609-L1611 HydrophobicContact CD2-CG 4.37Å; Y1609-L1611 HydrophobicContact CE2-CD1 4.12Å; Y1609-L1611 HydrophobicContact CE2-CG 4Å; Y1609-G1618 CarbonylContact C-O 3.21Å; Y1609-G1618 PolarHBondContact N-O 3.29Å; Y1609-G1618 VanDerWaalsContact N-O 3.12Å; Y1609-G1618 CarbonylContact O-C 3.49Å; Y1609-G1618 WeakPolarHBondContact O-CA 3.2Å; Y1609-G1618 VanDerWaalsContact O-O 3.06Å; Y1609-S1619 VanDerWaalsContact CD1-O 3.3Å; Y1609-S1619 WeakPolarHBondContact CD1-O 3.42Å; Y1609-S1619 VanDerWaalsContact CE1-CB 3.47Å; Y1609-S1619 WeakPolarHBondContact CE1-O 3.32Å; Y1609-S1619 WeakPolarHBondContact CE1-OG 3.3Å; Y1609-S1619 VanDerWaalsContact CE2-OG 3.27Å; Y1609-S1619 WeakPolarHBondContact CE2-OG 3.26Å; Y1609-S1619 PolarHBondContact N-O 2.94Å; Y1609-S1619 VanDerWaalsContact N-O 3.12Å; Y1609-S1619 VanDerWaalsContact O-CA 3.3Å; Y1609-S1619 WeakPolarHBondContact O-CA 3.37Å; Y1609-S1619 WeakPolarHBondContact O-CB 3.1Å; Y1609-S1619 PolarHBondContact O-N 3.01Å; Y1609-S1619 VanDerWaalsContact O-O 3.12Å; Y1609-S1619 PolarHBondContact O-OG 2.98Å; Y1609-S1619 PolarHBondContact OH-OG 2.98Å; Y1609-I1621 HydrophobicContact CD1-CD1 3.78Å; Y1609-I1621 HydrophobicContact CD1-CG1 3.97Å; Y1609-I1621 VanDerWaalsContact CD1-CG1 3.49Å; Y1609-I1621 HydrophobicContact CE1-CD1 3.74Å; Y1609-I1621 HydrophobicContact CE1-CG1 3.84Å; Y1609-I1621 HydrophobicContact CG-CD1 4.04Å; Y1609-L1646 HydrophobicContact CE1-CB 3.99Å; Y1609-L1646 HydrophobicContact CE1-CD1 3.83Å; Y1609-L1646 HydrophobicContact CE1-CG 4.43Å; Y1609-L1646 HydrophobicContact CE2-CB 4.38Å; Y1609-L1646 HydrophobicContact CE2-CD1 3.71Å; Y1609-L1646 WeakPolarHBondContact OH-CA 3.12Å; Y1609-L1646 VanDerWaalsContact OH-CB 3.3Å; Y1609-L1646 WeakPolarHBondContact OH-CB 3.37Å; Y1609-L1646 WeakPolarHBondContact OH-CD1 3.36Å; Y1609-L1646 VanDerWaalsContact OH-CG 3.27Å; Y1609-L1646 WeakPolarHBondContact OH-CG 3.38Å; Y1609-L1646 PolarHBondContact OH-N 2.8Å
1610	S	75.8	Confident	77.3	Confident	11 Å²	11	54.9 Å²	54.9	8%	0.077	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.5	166.1	-164.1	0	0	0	0	109.4	F1586 Y1587 T1612 N1613 G1618	F1586-S1610 CarbonylContact C-O 3.54Å; F1586-S1610 WeakPolarHBondContact CA-O 3.46Å; F1586-S1610 WeakPolarHBondContact CD2-O 3.27Å; Y1587-S1610 PolarHBondContact N-O 3.02Å; Y1587-S1610 PolarHBondContact O-N 3.13Å; S1610-T1612 VanDerWaalsContact C-N 3.34Å; S1610-T1612 PolarHBondContact OG-N 2.97Å; S1610-T1612 PolarHBondContact OG-OG1 3.18Å; S1610-N1613 WeakPolarHBondContact CB-O 3.25Å; S1610-N1613 WeakPolarHBondContact OG-CB 3.42Å; S1610-N1613 PolarHBondContact OG-N 3.22Å; S1610-N1613 VanDerWaalsContact OG-N 3.08Å; S1610-G1618 VanDerWaalsContact OG-CA 3.31Å; S1610-G1618 WeakPolarHBondContact OG-CA 3.33Å
1611	L	69.4	Low	77.4	Confident	104.4 Å²	104.4	54.1 Å²	54.1	55%	0.547	29%	0.294	S	S	.	.	S	Bend	trans	-90.4	-6.8	173.2	-66.2	170.1	0	0	0	112.4	G1585 F1586 Y1609 L1646 M2507	G1585-L1611 CarbonylContact O-C 3.4Å; G1585-L1611 VanDerWaalsContact O-O 3.09Å; F1586-L1611 HydrophobicContact CD2-CD2 4.04Å; F1586-L1611 HydrophobicContact CE2-CD2 4.06Å; Y1609-L1611 HydrophobicContact CD2-CG 4.37Å; Y1609-L1611 HydrophobicContact CE2-CD1 4.12Å; Y1609-L1611 HydrophobicContact CE2-CG 4Å; L1611-L1646 HydrophobicContact CD1-CD1 4.14Å; L1611-M2507 HydrophobicContact CD2-CE 4.46Å; L1611-M2507 HydrophobicContact CD2-SD 3.87Å
1612	T	68.8	Low	77.5	Confident	79.8 Å²	79.8	54.9 Å²	54.9	49%	0.49	29%	0.294	S	S	.	.	S	Bend	trans	-121.2	-27.5	-174.7	53.8	0	0	0	0	113.1	S1584 G1585 S1610	S1584-T1612 CarbonylContact C-O 3.48Å; S1584-T1612 VanDerWaalsContact C-O 3.24Å; S1584-T1612 VanDerWaalsContact CB-O 3.27Å; S1584-T1612 WeakPolarHBondContact CB-O 3.39Å; S1584-T1612 VanDerWaalsContact OG-CA 3.26Å; S1584-T1612 WeakPolarHBondContact OG-CA 3.13Å; S1584-T1612 PolarHBondContact OG-O 2.95Å; G1585-T1612 PolarHBondContact N-O 3.11Å; G1585-T1612 VanDerWaalsContact N-O 3.07Å; G1585-T1612 CarbonylContact O-C 3.51Å; G1585-T1612 VanDerWaalsContact O-CA 3.26Å; G1585-T1612 WeakPolarHBondContact O-CA 3.31Å; G1585-T1612 PolarHBondContact O-N 3.21Å; G1585-T1612 VanDerWaalsContact O-N 3.11Å; S1610-T1612 VanDerWaalsContact C-N 3.34Å; S1610-T1612 PolarHBondContact OG-N 2.97Å; S1610-T1612 PolarHBondContact OG-OG1 3.18Å
1613	N	73.6	Confident	77.5	Confident	88.8 Å²	88.8	56.8 Å²	56.8	48%	0.475	30%	0.304	S	S	.	.			trans	-113.3	142.9	178.2	-71.6	-15.5	0	0	0	110.8	G1585 F1586 Y1587 S1610 L1615	G1585-N1613 CarbonylContact O-C 3.57Å; G1585-N1613 PolarHBondContact O-N 3.42Å; F1586-N1613 CarbonylContact C-O 3.43Å; Y1587-N1613 VanDerWaalsContact CB-O 3.28Å; Y1587-N1613 WeakPolarHBondContact CB-O 3.35Å; Y1587-N1613 PolarHBondContact N-O 3.04Å; S1610-N1613 WeakPolarHBondContact CB-O 3.25Å; S1610-N1613 WeakPolarHBondContact OG-CB 3.42Å; S1610-N1613 PolarHBondContact OG-N 3.22Å; S1610-N1613 VanDerWaalsContact OG-N 3.08Å; N1613-L1615 VanDerWaalsContact C-N 3.3Å; N1613-L1615 WeakPolarHBondContact CB-O 3.34Å
1614	S	72	Confident	77.5	Confident	16.4 Å²	16.4	57 Å²	57	12%	0.115	30%	0.302	C	S	.	.	S	Bend	trans	-94.5	-7.8	175.9	56.5	0	0	0	0	113.4	S1573 V1574 Q1575 F1586 Y1587	S1573-S1614 VanDerWaalsContact CB-O 3.3Å; S1573-S1614 WeakPolarHBondContact CB-O 3.39Å; V1574-S1614 VanDerWaalsContact O-CB 3.3Å; V1574-S1614 WeakPolarHBondContact O-CB 3.21Å; Q1575-S1614 VanDerWaalsContact CA-OG 3.31Å; Q1575-S1614 WeakPolarHBondContact CA-OG 3.26Å; Q1575-S1614 VanDerWaalsContact CB-OG 3.31Å; Q1575-S1614 WeakPolarHBondContact CB-OG 3.46Å; Q1575-S1614 VanDerWaalsContact CG-CB 3.43Å; Q1575-S1614 WeakPolarHBondContact CG-O 3.41Å; Q1575-S1614 WeakPolarHBondContact CG-OG 3.43Å; Q1575-S1614 PolarHBondContact NE2-O 2.94Å; Q1575-S1614 VanDerWaalsContact NE2-O 3.17Å; F1586-S1614 WeakPolarHBondContact O-CA 3.3Å; Y1587-S1614 WeakPolarHBondContact CD2-O 3.32Å; Y1587-S1614 WeakPolarHBondContact CE2-O 3.36Å
1615	L	74.9	Confident	77.5	Confident	120.6 Å²	120.6	59.6 Å²	59.6	63%	0.631	32%	0.316	S	S	*	.	S	Bend	trans	-110.2	140.6	175.2	-67.3	170.1	0	0	0	109.4	Y1587 N1613 P1617	Y1587-L1615 WeakPolarHBondContact CD2-O 3.16Å; Y1587-L1615 WeakPolarHBondContact CE2-O 3.44Å; N1613-L1615 VanDerWaalsContact C-N 3.3Å; N1613-L1615 WeakPolarHBondContact CB-O 3.34Å; L1615-P1617 CarbonylContact O-C 3.18Å
1616	G	68.1	Low	77.6	Confident	38.2 Å²	38.2	57.7 Å²	57.7	39%	0.394	31%	0.306	S	S	.	.	S	Bend	trans	-70.4	161.6	169.8	0	0	0	0	0	112	Y1587	Y1587-G1616 VanDerWaalsContact CE1-CA 3.44Å
1617	P	66.3	Low	77.6	Confident	101.8 Å²	101.8	54.6 Å²	54.6	66%	0.661	30%	0.296	S	S	*	.			cis	-86.1	150.1	4.6	30.1	-28.7	0	0	0	113.7	L1615 I2142 T2143	L1615-P1617 CarbonylContact O-C 3.18Å; P1617-I2142 VanDerWaalsContact C-CG2 3.41Å; P1617-I2142 HydrophobicContact CB-CG2 3.65Å; P1617-I2142 HydrophobicContact CG-CG2 3.64Å; P1617-I2142 WeakPolarHBondContact O-CG2 3.16Å; P1617-T2143 VanDerWaalsContact CB-CA 3.41Å
1618	G	73.3	Confident	77.8	Confident	12.8 Å²	12.8	58.2 Å²	58.2	13%	0.132	31%	0.31	C	S	.	.			trans	-103.5	172.4	172	0	0	0	0	0	113.2	Y1609 S1610 I2142 T2143 M2144	Y1609-G1618 CarbonylContact C-O 3.21Å; Y1609-G1618 PolarHBondContact N-O 3.29Å; Y1609-G1618 VanDerWaalsContact N-O 3.12Å; Y1609-G1618 CarbonylContact O-C 3.49Å; Y1609-G1618 WeakPolarHBondContact O-CA 3.2Å; Y1609-G1618 VanDerWaalsContact O-O 3.06Å; S1610-G1618 VanDerWaalsContact OG-CA 3.31Å; S1610-G1618 WeakPolarHBondContact OG-CA 3.33Å; G1618-I2142 VanDerWaalsContact C-C 3.46Å; G1618-T2143 WeakPolarHBondContact O-CA 3.48Å; G1618-T2143 PolarHBondContact O-N 2.82Å; G1618-M2144 PolarHBondContact N-SD 2.84Å
1619	S	75.9	Confident	77.9	Confident	29.2 Å²	29.2	56.3 Å²	56.3	20%	0.204	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	128	172	32.8	0	0	0	0	112.1	E1608 Y1609 I2142	E1608-S1619 CarbonylContact C-O 3.6Å; E1608-S1619 VanDerWaalsContact C-O 3.25Å; E1608-S1619 WeakPolarHBondContact CA-O 3.1Å; Y1609-S1619 VanDerWaalsContact CD1-O 3.3Å; Y1609-S1619 WeakPolarHBondContact CD1-O 3.42Å; Y1609-S1619 VanDerWaalsContact CE1-CB 3.47Å; Y1609-S1619 WeakPolarHBondContact CE1-O 3.32Å; Y1609-S1619 WeakPolarHBondContact CE1-OG 3.3Å; Y1609-S1619 VanDerWaalsContact CE2-OG 3.27Å; Y1609-S1619 WeakPolarHBondContact CE2-OG 3.26Å; Y1609-S1619 PolarHBondContact N-O 2.94Å; Y1609-S1619 VanDerWaalsContact N-O 3.12Å; Y1609-S1619 VanDerWaalsContact O-CA 3.3Å; Y1609-S1619 WeakPolarHBondContact O-CA 3.37Å; Y1609-S1619 WeakPolarHBondContact O-CB 3.1Å; Y1609-S1619 PolarHBondContact O-N 3.01Å; Y1609-S1619 VanDerWaalsContact O-O 3.12Å; Y1609-S1619 PolarHBondContact O-OG 2.98Å; Y1609-S1619 PolarHBondContact OH-OG 2.98Å; S1619-I2142 VanDerWaalsContact N-C 3.33Å
1620	P	80	Confident	77.9	Confident	33.8 Å²	33.8	56.5 Å²	56.5	22%	0.219	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	146.9	-176.9	30.5	-34.4	0	0	0	112.4	T1607 E1608 R1622 D1643 S1644 Q1645 T2143	T1607-P1620 CarbonylContact O-C 3.57Å; T1607-P1620 WeakPolarHBondContact O-CA 3.37Å; E1608-P1620 HydrophobicContact CG-CB 4.24Å; P1620-R1622 HydrophobicContact CB-CG 4.29Å; P1620-D1643 CarbonylContact C-O 3.5Å; P1620-S1644 VanDerWaalsContact O-CA 3.31Å; P1620-S1644 WeakPolarHBondContact O-CA 3.17Å; P1620-S1644 PolarHBondContact O-OG 3.49Å; P1620-Q1645 PolarHBondContact O-N 2.79Å; P1620-T2143 HydrophobicContact CB-CG2 3.9Å; P1620-T2143 HydrophobicContact CG-CG2 4.22Å
1621	I	80.6	Confident	77.5	Confident	30.8 Å²	30.8	63.9 Å²	63.9	16%	0.158	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	110.6	162.5	-51	178.1	0	0	0	106.9	R1606 T1607 Y1609 I1623 D1643 S1644 L1646 I1647	R1606-I1621 CarbonylContact C-O 3.55Å; T1607-I1621 CarbonylContact C-O 3.54Å; T1607-I1621 WeakPolarHBondContact CA-O 3.22Å; T1607-I1621 WeakPolarHBondContact CB-O 3.33Å; T1607-I1621 PolarHBondContact N-O 3.06Å; T1607-I1621 CarbonylContact O-C 3.5Å; T1607-I1621 VanDerWaalsContact O-CA 3.28Å; T1607-I1621 WeakPolarHBondContact O-CA 3.12Å; T1607-I1621 PolarHBondContact O-N 3.15Å; T1607-I1621 VanDerWaalsContact O-O 3.07Å; T1607-I1621 VanDerWaalsContact OG1-CB 3.28Å; T1607-I1621 WeakPolarHBondContact OG1-CB 3.26Å; T1607-I1621 WeakPolarHBondContact OG1-CG2 3.12Å; T1607-I1621 PolarHBondContact OG1-O 2.91Å; Y1609-I1621 HydrophobicContact CD1-CD1 3.78Å; Y1609-I1621 HydrophobicContact CD1-CG1 3.97Å; Y1609-I1621 VanDerWaalsContact CD1-CG1 3.49Å; Y1609-I1621 HydrophobicContact CE1-CD1 3.74Å; Y1609-I1621 HydrophobicContact CE1-CG1 3.84Å; Y1609-I1621 HydrophobicContact CG-CD1 4.04Å; I1621-I1623 HydrophobicContact CG2-CG1 4.37Å; I1621-I1623 PolarHBondContact O-N 3.42Å; I1621-D1643 CarbonylContact C-O 3.46Å; I1621-D1643 VanDerWaalsContact CA-O 3.24Å; I1621-D1643 WeakPolarHBondContact CA-O 3.27Å; I1621-D1643 PolarHBondContact N-O 2.75Å; I1621-D1643 VanDerWaalsContact N-O 3.08Å; I1621-S1644 WeakPolarHBondContact CG1-OG 3.13Å; I1621-L1646 HydrophobicContact CD1-CB 4.02Å; I1621-I1647 HydrophobicContact CG2-CD1 4.27Å
1622	R	83.2	Confident	77.7	Confident	110.6 Å²	110.6	66 Å²	66	42%	0.417	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.2	-179.7	-54.4	176.8	178.3	152.1	-2.9	109.7	I1605 R1606 T1607 E1608 P1620 G1641 L1642 D1643	I1605-R1622 CarbonylContact O-C 3.55Å; I1605-R1622 VanDerWaalsContact O-CA 3.31Å; I1605-R1622 WeakPolarHBondContact O-CA 3.41Å; R1606-R1622 HydrophobicContact CB-CB 4.39Å; R1606-R1622 HydrophobicContact CB-CG 4.26Å; R1606-R1622 HydrophobicContact CG-CB 4.12Å; R1606-R1622 HydrophobicContact CG-CG 4.21Å; T1607-R1622 PolarHBondContact O-N 2.68Å; E1608-R1622 IonicContact OE1-CZ 2.68Å; E1608-R1622 IonicContact OE1-NE 2.69Å; E1608-R1622 PolarHBondContact OE1-NE 2.69Å; E1608-R1622 IonicContact OE1-NH2 2.73Å; E1608-R1622 PolarHBondContact OE1-NH2 3.01Å; P1620-R1622 HydrophobicContact CB-CG 4.29Å; R1622-G1641 CarbonylContact O-C 3.36Å; R1622-L1642 CarbonylContact O-C 3.52Å; R1622-L1642 VanDerWaalsContact O-CA 3.29Å; R1622-L1642 WeakPolarHBondContact O-CA 3.39Å; R1622-L1642 PolarHBondContact O-N 3.29Å; R1622-D1643 HydrophobicContact CB-CB 4.19Å; R1622-D1643 WeakPolarHBondContact CD-OD2 3.11Å; R1622-D1643 HydrophobicContact CG-CB 4.25Å; R1622-D1643 IonicContact CZ-OD2 3.73Å; R1622-D1643 PolarHBondContact N-O 2.84Å; R1622-D1643 IonicContact NE-OD2 2.69Å; R1622-D1643 IonicContact NH1-OD2 2.76Å; R1622-D1643 PolarHBondContact NH1-OD2 2.86Å; R1622-D1643 PolarHBondContact O-N 3.03Å
1623	I	83	Confident	77.9	Confident	54.4 Å²	54.4	67.7 Å²	67.7	28%	0.279	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.9	171.8	-59.7	172.9	0	0	0	107.3	F1603 E1604 I1605 I1621 G1641 L1642	F1603-I1623 HydrophobicContact CE1-CG2 4.41Å; E1604-I1623 CarbonylContact C-O 3.51Å; E1604-I1623 WeakPolarHBondContact CA-O 3.28Å; I1605-I1623 CarbonylContact C-O 3.44Å; I1605-I1623 WeakPolarHBondContact CA-O 3.49Å; I1605-I1623 HydrophobicContact CB-CB 4.45Å; I1605-I1623 PolarHBondContact N-O 3.03Å; I1605-I1623 WeakPolarHBondContact O-CA 3.15Å; I1605-I1623 PolarHBondContact O-N 2.96Å; I1605-I1623 VanDerWaalsContact O-O 3.06Å; I1621-I1623 HydrophobicContact CG2-CG1 4.37Å; I1621-I1623 PolarHBondContact O-N 3.42Å; I1623-G1641 CarbonylContact C-O 3.49Å; I1623-G1641 VanDerWaalsContact CA-O 3.22Å; I1623-G1641 WeakPolarHBondContact CA-O 3.26Å; I1623-L1642 HydrophobicContact CG1-CD1 4.46Å; I1623-L1642 HydrophobicContact CG1-CG 4.41Å
1624	R	85.8	Confident	78	Confident	86.2 Å²	86.2	66 Å²	66	33%	0.325	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.2	177.9	-174.8	172.2	173	-167.9	-12.9	110	L1602 F1603 E1604 E1639 I1640 G1641	L1602-R1624 HydrophobicContact CD1-CG 4.21Å; F1603-R1624 CarbonylContact O-C 3.42Å; F1603-R1624 WeakPolarHBondContact O-CA 3.38Å; E1604-R1624 HydrophobicContact CB-CG 4.4Å; E1604-R1624 VanDerWaalsContact CD-NE 3.29Å; E1604-R1624 HydrophobicContact CG-CB 4.28Å; E1604-R1624 HydrophobicContact CG-CG 4.26Å; E1604-R1624 WeakPolarHBondContact OE1-CD 3.1Å; E1604-R1624 IonicContact OE1-NE 3.61Å; E1604-R1624 PolarHBondContact OE1-NE 2.89Å; E1604-R1624 IonicContact OE1-NH1 2.65Å; E1604-R1624 WeakPolarHBondContact OE2-CD 3.41Å; E1604-R1624 IonicContact OE2-CZ 2.67Å; E1604-R1624 IonicContact OE2-NE 3.44Å; E1604-R1624 PolarHBondContact OE2-NE 2.72Å; R1624-E1639 CarbonylContact C-O 3.47Å; R1624-E1639 IonicContact CZ-OE1 2.66Å; R1624-E1639 IonicContact CZ-OE2 2.99Å; R1624-E1639 IonicContact NE-OE2 2.73Å; R1624-E1639 PolarHBondContact NE-OE2 3.33Å; R1624-E1639 IonicContact NH1-OE1 3.89Å; R1624-E1639 PolarHBondContact NH1-OE1 2.58Å; R1624-E1639 IonicContact NH1-OE2 3.48Å; R1624-E1639 PolarHBondContact NH1-OE2 3.12Å; R1624-E1639 IonicContact NH2-OE1 3.04Å; R1624-E1639 PolarHBondContact NH2-OE1 2.74Å; R1624-E1639 IonicContact NH2-OE2 3.02Å; R1624-E1639 PolarHBondContact NH2-OE2 3Å; R1624-I1640 CarbonylContact O-C 3.33Å; R1624-I1640 VanDerWaalsContact O-CA 3.29Å; R1624-I1640 WeakPolarHBondContact O-CA 3.24Å; R1624-G1641 PolarHBondContact N-O 3.03Å; R1624-G1641 PolarHBondContact O-N 2.94Å
1625	I	84.6	Confident	78.5	Confident	69.4 Å²	69.4	69.4 Å²	69.4	36%	0.356	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	108.5	171.7	-56.9	176.5	0	0	0	106.5	L1602 F1603 L1638 E1639 I1640	L1602-I1625 CarbonylContact C-O 3.42Å; L1602-I1625 WeakPolarHBondContact CA-O 3.35Å; F1603-I1625 HydrophobicContact CB-CB 4.39Å; F1603-I1625 HydrophobicContact CD1-CB 4.44Å; F1603-I1625 HydrophobicContact CD1-CD1 4.19Å; F1603-I1625 HydrophobicContact CD1-CG1 4.32Å; F1603-I1625 PolarHBondContact N-O 3.02Å; F1603-I1625 PolarHBondContact O-N 3.17Å; I1625-L1638 HydrophobicContact CG2-CD1 4.34Å; I1625-E1639 CarbonylContact C-O 3.43Å; I1625-E1639 WeakPolarHBondContact CA-O 3.36Å; I1625-E1639 PolarHBondContact N-O 2.91Å; I1625-I1640 HydrophobicContact CG1-CG1 4.43Å; I1625-I1640 HydrophobicContact CG1-CG2 4.42Å; I1625-I1640 HydrophobicContact CG2-CG1 4.35Å
1626	N	86.1	Confident	78.9	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.027	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	108.5	-177	-177.7	33.7	0	0	0	110.6	Q1600 K1601 L1602 N1637 L1638 E1639	Q1600-N1626 PolarHBondContact NE2-ND2 3.27Å; Q1600-N1626 PolarHBondContact NE2-OD1 3.16Å; Q1600-N1626 VanDerWaalsContact NE2-OD1 3.09Å; K1601-N1626 CarbonylContact O-C 3.53Å; K1601-N1626 WeakPolarHBondContact O-CA 3.36Å; L1602-N1626 WeakPolarHBondContact CB-OD1 3.45Å; L1602-N1626 HydrophobicContact CD1-CB 3.58Å; L1602-N1626 VanDerWaalsContact CD1-CB 3.44Å; L1602-N1626 VanDerWaalsContact CD1-CG 3.46Å; L1602-N1626 WeakPolarHBondContact CD1-OD1 3.14Å; N1626-N1637 CarbonylContact C-O 3.41Å; N1626-N1637 CarbonylContact O-C 3.52Å; N1626-L1638 CarbonylContact O-C 3.53Å; N1626-L1638 WeakPolarHBondContact O-CA 3.26Å; N1626-E1639 HydrophobicContact CB-CB 4.09Å; N1626-E1639 HydrophobicContact CB-CG 4.08Å; N1626-E1639 VanDerWaalsContact CB-OE2 3.26Å; N1626-E1639 WeakPolarHBondContact CB-OE2 3.2Å; N1626-E1639 PolarHBondContact N-O 2.94Å; N1626-E1639 PolarHBondContact ND2-OE2 2.88Å; N1626-E1639 PolarHBondContact O-N 2.99Å
1627	F	85.1	Confident	79.7	Confident	50.4 Å²	50.4	64.2 Å²	64.2	22%	0.221	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	103.5	177.4	-178.7	-110.9	0	0	0	110.9	Q1600 K1601 H1629 Y1633 N1637 L1638 Y1662	Q1600-F1627 CarbonylContact C-O 3.53Å; Q1600-F1627 VanDerWaalsContact CA-O 3.25Å; Q1600-F1627 WeakPolarHBondContact CA-O 3.29Å; K1601-F1627 HydrophobicContact CB-CB 4.32Å; K1601-F1627 HydrophobicContact CB-CD1 4.37Å; K1601-F1627 HydrophobicContact CD-CD1 4.32Å; K1601-F1627 HydrophobicContact CG-CD1 4.43Å; K1601-F1627 PolarHBondContact N-O 2.86Å; K1601-F1627 PolarHBondContact O-N 2.87Å; F1627-H1629 AromaticContact CD1-CD2 3.71Å; F1627-H1629 HydrophobicContact CE1-CB 4.24Å; F1627-H1629 AromaticContact CE1-CD2 3.32Å; F1627-H1629 WeakPolarHBondContact CE1-CD2 3.35Å; F1627-H1629 AromaticContact CE1-CG 3.97Å; F1627-H1629 AromaticContact CE1-NE2 3.95Å; F1627-H1629 HydrophobicContact CZ-CB 4.26Å; F1627-Y1633 HydrophobicContact CE1-CE1 4.22Å; F1627-Y1633 HydrophobicContact CZ-CD1 4.47Å; F1627-Y1633 HydrophobicContact CZ-CE1 4.4Å; F1627-N1637 CarbonylContact C-O 3.48Å; F1627-N1637 VanDerWaalsContact C-O 3.32Å; F1627-N1637 WeakPolarHBondContact CA-O 3.38Å; F1627-L1638 HydrophobicContact CB-CD1 4.05Å; F1627-L1638 HydrophobicContact CD2-CB 4.12Å; F1627-L1638 HydrophobicContact CD2-CD1 4.13Å; F1627-L1638 HydrophobicContact CG-CD1 4.49Å; F1627-Y1662 HydrophobicContact CE2-CD1 4.34Å; F1627-Y1662 AromaticContact CE2-CE1 3.76Å; F1627-Y1662 HydrophobicContact CE2-CE1 3.82Å; F1627-Y1662 AromaticContact CZ-CE1 3.91Å; F1627-Y1662 HydrophobicContact CZ-CE1 4.07Å
1628	K	85.8	Confident	80.6	Confident	95.4 Å²	95.4	61.6 Å²	61.6	42%	0.415	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.9	173.9	-104.8	174.7	179.4	178.6	0	110	N1599 Q1600 G1636 N1637	N1599-K1628 CarbonylContact O-C 3.27Å; N1599-K1628 WeakPolarHBondContact O-CA 3.22Å; N1599-K1628 WeakPolarHBondContact O-CG 3.37Å; Q1600-K1628 HydrophobicContact CB-CB 4.49Å; Q1600-K1628 HydrophobicContact CB-CG 4.11Å; Q1600-K1628 HydrophobicContact CG-CB 4.05Å; Q1600-K1628 HydrophobicContact CG-CG 3.85Å; K1628-G1636 CarbonylContact O-C 3.51Å; K1628-G1636 VanDerWaalsContact O-C 3.29Å; K1628-G1636 WeakPolarHBondContact O-CA 3.26Å; K1628-N1637 HydrophobicContact CB-CB 4.32Å; K1628-N1637 PolarHBondContact N-O 2.87Å; K1628-N1637 PolarHBondContact O-N 3.11Å
1629	H	83.5	Confident	81.2	Confident	9.8 Å²	9.8	63.2 Å²	63.2	5%	0.045	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	162.3	175.1	63.6	90	0	0	0	112.8	L1598 N1599 K1601 F1627 Y1633 H1635 Y1662	L1598-H1629 PolarHBondContact O-CE1 3.04Å; L1598-H1629 PolarHBondContact O-NE2 3.11Å; L1598-H1629 VanDerWaalsContact O-NE2 3.17Å; N1599-H1629 CarbonylContact C-O 3.52Å; N1599-H1629 WeakPolarHBondContact CA-O 3.41Å; N1599-H1629 VanDerWaalsContact CB-O 3.26Å; N1599-H1629 WeakPolarHBondContact CB-O 3.33Å; N1599-H1629 PolarHBondContact ND2-O 2.91Å; N1599-H1629 PolarHBondContact O-N 3.23Å; N1599-H1629 VanDerWaalsContact O-O 3.06Å; K1601-H1629 PolarHBondContact NZ-NE2 3.42Å; F1627-H1629 AromaticContact CD1-CD2 3.71Å; F1627-H1629 HydrophobicContact CE1-CB 4.24Å; F1627-H1629 AromaticContact CE1-CD2 3.32Å; F1627-H1629 WeakPolarHBondContact CE1-CD2 3.35Å; F1627-H1629 AromaticContact CE1-CG 3.97Å; F1627-H1629 AromaticContact CE1-NE2 3.95Å; F1627-H1629 HydrophobicContact CZ-CB 4.26Å; H1629-Y1633 HydrophobicContact CB-CD1 4Å; H1629-Y1633 HydrophobicContact CB-CE1 4.29Å; H1629-Y1633 AromaticContact CD2-CE1 3.74Å; H1629-Y1633 AromaticContact CE1-CD1 3.89Å; H1629-Y1633 AromaticContact CE1-CE1 3.34Å; H1629-Y1633 VanDerWaalsContact CE1-CE1 3.42Å; H1629-Y1633 WeakPolarHBondContact CE1-CE1 3.31Å; H1629-Y1633 AromaticContact CE1-CE2 3.95Å; H1629-Y1633 AromaticContact CE1-CZ 3.38Å; H1629-Y1633 VanDerWaalsContact CE1-CZ 3.41Å; H1629-Y1633 PolarHBondContact CE1-OH 2.95Å; H1629-Y1633 VanDerWaalsContact CE1-OH 3.26Å; H1629-Y1633 AromaticContact CG-CD1 3.71Å; H1629-Y1633 AromaticContact CG-CE1 3.59Å; H1629-Y1633 VanDerWaalsContact CG-CE1 3.46Å; H1629-Y1633 AromaticContact ND1-CD1 3.58Å; H1629-Y1633 WeakPolarHBondContact ND1-CD1 3.08Å; H1629-Y1633 AromaticContact ND1-CE1 3.35Å; H1629-Y1633 VanDerWaalsContact ND1-CE1 3.32Å; H1629-Y1633 WeakPolarHBondContact ND1-CE1 3.31Å; H1629-Y1633 AromaticContact ND1-CG 3.94Å; H1629-Y1633 AromaticContact ND1-CZ 3.72Å; H1629-Y1633 AromaticContact NE2-CE1 3.57Å; H1629-Y1633 AromaticContact NE2-CZ 3.82Å; H1629-Y1633 PolarHBondContact NE2-OH 3.13Å; H1629-H1635 CarbonylContact C-O 3.48Å; H1629-H1635 WeakPolarHBondContact CA-O 3.28Å; H1629-H1635 WeakPolarHBondContact CB-O 3.12Å; H1629-Y1662 HydrophobicContact CB-CE1 4.4Å; H1629-Y1662 WeakPolarHBondContact CB-OH 3.26Å
1630	D	79.1	Confident	81.5	Confident	37.2 Å²	37.2	65.2 Å²	65.2	20%	0.199	30%	0.296	C	S	.	.			trans	-76.3	165.8	168.3	152.9	-10.6	0	0	0	112.1	H1446 I1447 N1599 K1632 Y1633 K1634 H1635	H1446-D1630 VanDerWaalsContact CA-OD2 3.28Å; H1446-D1630 WeakPolarHBondContact CA-OD2 3.29Å; H1446-D1630 WeakPolarHBondContact CB-OD2 3.23Å; H1446-D1630 PolarHBondContact N-OD2 2.78Å; H1446-D1630 VanDerWaalsContact N-OD2 3.11Å; I1447-D1630 VanDerWaalsContact N-CG 3.26Å; I1447-D1630 PolarHBondContact N-OD1 2.77Å; N1599-D1630 VanDerWaalsContact ND2-CA 3.26Å; N1599-D1630 WeakPolarHBondContact ND2-CA 3.06Å; D1630-K1632 VanDerWaalsContact C-N 3.3Å; D1630-K1632 PolarHBondContact O-N 3.06Å; D1630-K1632 PolarHBondContact OD2-N 2.87Å; D1630-Y1633 WeakPolarHBondContact O-CA 3.21Å; D1630-Y1633 PolarHBondContact O-N 3.01Å; D1630-Y1633 VanDerWaalsContact O-N 3.15Å; D1630-Y1633 WeakPolarHBondContact OD1-CA 3.39Å; D1630-Y1633 PolarHBondContact OD1-N 3.06Å; D1630-K1634 HydrophobicContact CB-CB 4.25Å; D1630-K1634 PolarHBondContact OD1-N 3.02Å; D1630-K1634 WeakPolarHBondContact OD2-CB 3.1Å; D1630-K1634 PolarHBondContact OD2-N 2.99Å; D1630-H1635 WeakPolarHBondContact CB-NE2 3.13Å; D1630-H1635 PolarHBondContact N-O 3.1Å; D1630-H1635 PolarHBondContact OD1-N 3.21Å; D1630-H1635 IonicContact OD2-CD2 2.63Å; D1630-H1635 IonicContact OD2-NE2 2.67Å
1631	K	69.3	Low	81.7	Confident	166.8 Å²	166.8	64.1 Å²	64.1	73%	0.725	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-29.3	179.5	-70.4	-177	176.3	179.6	0	113.5	I1447 K1448 N1599	I1447-K1631 HydrophobicContact CG2-CD 3.63Å; I1447-K1631 HydrophobicContact CG2-CG 4Å; K1448-K1631 WeakPolarHBondContact O-CE 3.35Å; N1599-K1631 PolarHBondContact ND2-N 2.81Å; N1599-K1631 VanDerWaalsContact ND2-N 3.18Å; N1599-K1631 WeakPolarHBondContact OD1-CG 3.22Å
1632	K	72.5	Confident	81.8	Confident	147.8 Å²	147.8	64.9 Å²	64.9	64%	0.643	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	10.1	178.6	-73.6	-170.4	176	-174.1	0	113.3	D1630 K1634 D1668	D1630-K1632 VanDerWaalsContact C-N 3.3Å; D1630-K1632 PolarHBondContact O-N 3.06Å; D1630-K1632 PolarHBondContact OD2-N 2.87Å; K1632-K1634 HydrophobicContact CB-CD 4.33Å; K1632-K1634 HydrophobicContact CB-CG 3.96Å; K1632-K1634 PolarHBondContact O-N 3.25Å; K1632-K1634 VanDerWaalsContact O-N 3.12Å; K1632-D1668 IonicContact NZ-OD1 3.43Å; K1632-D1668 PolarHBondContact NZ-OD1 2.82Å; K1632-D1668 IonicContact NZ-OD2 3.86Å; K1632-D1668 PolarHBondContact NZ-OD2 2.7Å
1633	Y	73.6	Confident	81.8	Confident	115.6 Å²	115.6	61.2 Å²	61.2	45%	0.453	28%	0.284	S	S	.	.	S	Bend	trans	53.8	25.8	-172	-60.1	-92.8	0	0	0	113.8	K1601 F1627 H1629 D1630 H1635 Y1662	K1601-Y1633 PolarHBondContact NZ-OH 2.83Å; F1627-Y1633 HydrophobicContact CE1-CE1 4.22Å; F1627-Y1633 HydrophobicContact CZ-CD1 4.47Å; F1627-Y1633 HydrophobicContact CZ-CE1 4.4Å; H1629-Y1633 HydrophobicContact CB-CD1 4Å; H1629-Y1633 HydrophobicContact CB-CE1 4.29Å; H1629-Y1633 AromaticContact CD2-CE1 3.74Å; H1629-Y1633 AromaticContact CE1-CD1 3.89Å; H1629-Y1633 AromaticContact CE1-CE1 3.34Å; H1629-Y1633 VanDerWaalsContact CE1-CE1 3.42Å; H1629-Y1633 WeakPolarHBondContact CE1-CE1 3.31Å; H1629-Y1633 AromaticContact CE1-CE2 3.95Å; H1629-Y1633 AromaticContact CE1-CZ 3.38Å; H1629-Y1633 VanDerWaalsContact CE1-CZ 3.41Å; H1629-Y1633 PolarHBondContact CE1-OH 2.95Å; H1629-Y1633 VanDerWaalsContact CE1-OH 3.26Å; H1629-Y1633 AromaticContact CG-CD1 3.71Å; H1629-Y1633 AromaticContact CG-CE1 3.59Å; H1629-Y1633 VanDerWaalsContact CG-CE1 3.46Å; H1629-Y1633 AromaticContact ND1-CD1 3.58Å; H1629-Y1633 WeakPolarHBondContact ND1-CD1 3.08Å; H1629-Y1633 AromaticContact ND1-CE1 3.35Å; H1629-Y1633 VanDerWaalsContact ND1-CE1 3.32Å; H1629-Y1633 WeakPolarHBondContact ND1-CE1 3.31Å; H1629-Y1633 AromaticContact ND1-CG 3.94Å; H1629-Y1633 AromaticContact ND1-CZ 3.72Å; H1629-Y1633 AromaticContact NE2-CE1 3.57Å; H1629-Y1633 AromaticContact NE2-CZ 3.82Å; H1629-Y1633 PolarHBondContact NE2-OH 3.13Å; D1630-Y1633 WeakPolarHBondContact O-CA 3.21Å; D1630-Y1633 PolarHBondContact O-N 3.01Å; D1630-Y1633 VanDerWaalsContact O-N 3.15Å; D1630-Y1633 WeakPolarHBondContact OD1-CA 3.39Å; D1630-Y1633 PolarHBondContact OD1-N 3.06Å; Y1633-H1635 VanDerWaalsContact C-N 3.3Å; Y1633-H1635 PolarHBondContact O-N 3.08Å; Y1633-H1635 VanDerWaalsContact O-N 3.1Å; Y1633-Y1662 VanDerWaalsContact O-CE2 3.25Å; Y1633-Y1662 WeakPolarHBondContact O-CE2 3.31Å; Y1633-Y1662 PolarHBondContact O-OH 3.44Å
1634	K	75.4	Confident	81.7	Confident	53.4 Å²	53.4	58.6 Å²	58.6	23%	0.232	27%	0.271	C	S	.	.	S	Bend	trans	-72	-22.4	176.2	-70.2	-168.4	169.6	-161.8	0	113.4	L1445 D1630 K1632 Q1663 L1664 S1666 S1667	L1445-K1634 VanDerWaalsContact O-CB 3.3Å; L1445-K1634 WeakPolarHBondContact O-CB 3.04Å; D1630-K1634 HydrophobicContact CB-CB 4.25Å; D1630-K1634 PolarHBondContact OD1-N 3.02Å; D1630-K1634 WeakPolarHBondContact OD2-CB 3.1Å; D1630-K1634 PolarHBondContact OD2-N 2.99Å; K1632-K1634 HydrophobicContact CB-CD 4.33Å; K1632-K1634 HydrophobicContact CB-CG 3.96Å; K1632-K1634 PolarHBondContact O-N 3.25Å; K1632-K1634 VanDerWaalsContact O-N 3.12Å; K1634-Q1663 CarbonylContact O-C 3.46Å; K1634-Q1663 WeakPolarHBondContact O-CA 3.36Å; K1634-Q1663 WeakPolarHBondContact O-CG 3.31Å; K1634-L1664 VanDerWaalsContact CA-O 3.23Å; K1634-L1664 WeakPolarHBondContact CA-O 3.21Å; K1634-L1664 VanDerWaalsContact CB-O 3.26Å; K1634-L1664 WeakPolarHBondContact CB-O 3.11Å; K1634-L1664 WeakPolarHBondContact CG-O 3.41Å; K1634-L1664 CarbonylContact O-C 3.26Å; K1634-L1664 PolarHBondContact O-N 2.99Å; K1634-S1666 WeakPolarHBondContact CE-O 3.3Å; K1634-S1666 VanDerWaalsContact CE-OG 3.28Å; K1634-S1666 WeakPolarHBondContact CE-OG 3.35Å; K1634-S1666 PolarHBondContact NZ-O 2.96Å; K1634-S1667 VanDerWaalsContact NZ-CA 3.3Å; K1634-S1667 VanDerWaalsContact NZ-N 3.19Å
1635	H	81.7	Confident	81	Confident	88.6 Å²	88.6	58.5 Å²	58.5	41%	0.41	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155.5	171.2	79.3	74.4	0	0	0	109.5	L1445 H1446 H1629 D1630 Y1633 Y1662 Q1663	L1445-H1635 VanDerWaalsContact C-CD2 3.49Å; L1445-H1635 PolarHBondContact O-CD2 3.32Å; H1446-H1635 WeakPolarHBondContact CA-NE2 3.34Å; H1446-H1635 PolarHBondContact N-CD2 3.03Å; H1446-H1635 PolarHBondContact N-NE2 3.03Å; H1446-H1635 VanDerWaalsContact N-NE2 3.11Å; H1446-H1635 PolarHBondContact O-NE2 2.58Å; H1446-H1635 VanDerWaalsContact O-NE2 3.14Å; H1629-H1635 CarbonylContact C-O 3.48Å; H1629-H1635 WeakPolarHBondContact CA-O 3.28Å; H1629-H1635 WeakPolarHBondContact CB-O 3.12Å; D1630-H1635 WeakPolarHBondContact CB-NE2 3.13Å; D1630-H1635 PolarHBondContact N-O 3.1Å; D1630-H1635 PolarHBondContact OD1-N 3.21Å; D1630-H1635 IonicContact OD2-CD2 2.63Å; D1630-H1635 IonicContact OD2-NE2 2.67Å; Y1633-H1635 VanDerWaalsContact C-N 3.3Å; Y1633-H1635 PolarHBondContact O-N 3.08Å; Y1633-H1635 VanDerWaalsContact O-N 3.1Å; H1635-Y1662 CarbonylContact C-O 3.44Å; H1635-Y1662 WeakPolarHBondContact CA-O 3.28Å; H1635-Y1662 VanDerWaalsContact CB-O 3.23Å; H1635-Y1662 WeakPolarHBondContact CB-O 3.39Å; H1635-Y1662 PolarHBondContact ND1-O 2.94Å; H1635-Y1662 PolarHBondContact O-OH 3.27Å; H1635-Q1663 HydrophobicContact CB-CB 4.26Å; H1635-Q1663 HydrophobicContact CB-CG 4.2Å
1636	G	83.4	Confident	80.2	Confident	1.2 Å²	1.2	57.5 Å²	57.5	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	165.7	175.5	0	0	0	0	0	113.9	K1628 E1661 Y1662	K1628-G1636 CarbonylContact O-C 3.51Å; K1628-G1636 VanDerWaalsContact O-C 3.29Å; K1628-G1636 WeakPolarHBondContact O-CA 3.26Å; G1636-E1661 CarbonylContact O-C 3.14Å; G1636-E1661 WeakPolarHBondContact O-CA 3.26Å; G1636-Y1662 VanDerWaalsContact C-CD1 3.43Å; G1636-Y1662 VanDerWaalsContact C-CE1 3.44Å; G1636-Y1662 VanDerWaalsContact CA-CE1 3.41Å; G1636-Y1662 PolarHBondContact N-O 2.94Å; G1636-Y1662 VanDerWaalsContact N-O 3.14Å; G1636-Y1662 WeakPolarHBondContact O-CA 3.43Å; G1636-Y1662 VanDerWaalsContact O-CD1 3.24Å; G1636-Y1662 WeakPolarHBondContact O-CD1 3.19Å; G1636-Y1662 WeakPolarHBondContact O-CE1 3.35Å; G1636-Y1662 PolarHBondContact O-N 2.96Å; G1636-Y1662 VanDerWaalsContact O-O 3.13Å
1637	N	86.2	Confident	79.2	Confident	47.6 Å²	47.6	59.2 Å²	59.2	26%	0.255	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.5	-176.6	-64.3	19.5	0	0	0	109.2	N1626 F1627 K1628 M1660 E1661	N1626-N1637 CarbonylContact C-O 3.41Å; N1626-N1637 CarbonylContact O-C 3.52Å; F1627-N1637 CarbonylContact C-O 3.48Å; F1627-N1637 VanDerWaalsContact C-O 3.32Å; F1627-N1637 WeakPolarHBondContact CA-O 3.38Å; K1628-N1637 HydrophobicContact CB-CB 4.32Å; K1628-N1637 PolarHBondContact N-O 2.87Å; K1628-N1637 PolarHBondContact O-N 3.11Å; N1637-M1660 CarbonylContact C-O 3.53Å; N1637-M1660 VanDerWaalsContact C-O 3.3Å; N1637-M1660 VanDerWaalsContact CA-O 3.3Å; N1637-M1660 WeakPolarHBondContact CA-O 3.23Å; N1637-M1660 WeakPolarHBondContact CB-O 3.19Å; N1637-E1661 HydrophobicContact CB-CG 4.46Å; N1637-E1661 PolarHBondContact ND2-OE1 3.18Å; N1637-E1661 WeakPolarHBondContact OD1-CG 3.38Å
1638	L	84.8	Confident	78.2	Confident	46.8 Å²	46.8	56.8 Å²	56.8	25%	0.245	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.7	172.9	177.2	66.9	0	0	0	109.5	I1625 N1626 F1627 I1640 T1658 M1659 M1660	I1625-L1638 HydrophobicContact CG2-CD1 4.34Å; N1626-L1638 CarbonylContact O-C 3.53Å; N1626-L1638 WeakPolarHBondContact O-CA 3.26Å; F1627-L1638 HydrophobicContact CB-CD1 4.05Å; F1627-L1638 HydrophobicContact CD2-CB 4.12Å; F1627-L1638 HydrophobicContact CD2-CD1 4.13Å; F1627-L1638 HydrophobicContact CG-CD1 4.49Å; L1638-I1640 HydrophobicContact CD1-CG1 4.3Å; L1638-I1640 HydrophobicContact CD2-CD1 4.21Å; L1638-I1640 HydrophobicContact CG-CD1 4.37Å; L1638-I1640 HydrophobicContact CG-CG1 4.24Å; L1638-T1658 VanDerWaalsContact O-O 3.07Å; L1638-M1659 CarbonylContact O-C 3.38Å; L1638-M1659 WeakPolarHBondContact O-CA 3.26Å; L1638-M1660 HydrophobicContact CB-CB 4.22Å; L1638-M1660 HydrophobicContact CB-CG 4.18Å; L1638-M1660 HydrophobicContact CD2-CE 4.38Å; L1638-M1660 HydrophobicContact CD2-CG 4.47Å; L1638-M1660 HydrophobicContact CD2-SD 4.21Å; L1638-M1660 PolarHBondContact N-O 3.09Å; L1638-M1660 PolarHBondContact O-N 2.98Å
1639	E	85	Confident	77.1	Confident	47.2 Å²	47.2	59 Å²	59	22%	0.221	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.5	175	-52.6	167.1	154.8	0	0	109.8	R1624 I1625 N1626 T1658 M1659	R1624-E1639 CarbonylContact C-O 3.47Å; R1624-E1639 IonicContact CZ-OE1 2.66Å; R1624-E1639 IonicContact CZ-OE2 2.99Å; R1624-E1639 IonicContact NE-OE2 2.73Å; R1624-E1639 PolarHBondContact NE-OE2 3.33Å; R1624-E1639 IonicContact NH1-OE1 3.89Å; R1624-E1639 PolarHBondContact NH1-OE1 2.58Å; R1624-E1639 IonicContact NH1-OE2 3.48Å; R1624-E1639 PolarHBondContact NH1-OE2 3.12Å; R1624-E1639 IonicContact NH2-OE1 3.04Å; R1624-E1639 PolarHBondContact NH2-OE1 2.74Å; R1624-E1639 IonicContact NH2-OE2 3.02Å; R1624-E1639 PolarHBondContact NH2-OE2 3Å; I1625-E1639 CarbonylContact C-O 3.43Å; I1625-E1639 WeakPolarHBondContact CA-O 3.36Å; I1625-E1639 PolarHBondContact N-O 2.91Å; N1626-E1639 HydrophobicContact CB-CB 4.09Å; N1626-E1639 HydrophobicContact CB-CG 4.08Å; N1626-E1639 VanDerWaalsContact CB-OE2 3.26Å; N1626-E1639 WeakPolarHBondContact CB-OE2 3.2Å; N1626-E1639 PolarHBondContact N-O 2.94Å; N1626-E1639 PolarHBondContact ND2-OE2 2.88Å; N1626-E1639 PolarHBondContact O-N 2.99Å; E1639-T1658 CarbonylContact C-O 3.39Å; E1639-T1658 WeakPolarHBondContact CA-O 3.29Å; E1639-M1659 HydrophobicContact CB-CB 4.44Å; E1639-M1659 HydrophobicContact CB-CG 4.13Å; E1639-M1659 HydrophobicContact CG-CB 4.2Å; E1639-M1659 HydrophobicContact CG-CG 4.33Å
1640	I	83.5	Confident	75.7	Confident	70.6 Å²	70.6	65.6 Å²	65.6	36%	0.362	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.7	170.1	-56.1	171	0	0	0	107.9	R1624 I1625 L1638 N1657 T1658	R1624-I1640 CarbonylContact O-C 3.33Å; R1624-I1640 VanDerWaalsContact O-CA 3.29Å; R1624-I1640 WeakPolarHBondContact O-CA 3.24Å; I1625-I1640 HydrophobicContact CG1-CG1 4.43Å; I1625-I1640 HydrophobicContact CG1-CG2 4.42Å; I1625-I1640 HydrophobicContact CG2-CG1 4.35Å; L1638-I1640 HydrophobicContact CD1-CG1 4.3Å; L1638-I1640 HydrophobicContact CD2-CD1 4.21Å; L1638-I1640 HydrophobicContact CG-CD1 4.37Å; L1638-I1640 HydrophobicContact CG-CG1 4.24Å; I1640-N1657 CarbonylContact O-C 3.53Å; I1640-N1657 VanDerWaalsContact O-CA 3.29Å; I1640-N1657 WeakPolarHBondContact O-CA 3.41Å; I1640-T1658 WeakPolarHBondContact CB-OG1 3.28Å; I1640-T1658 PolarHBondContact N-O 2.93Å; I1640-T1658 PolarHBondContact O-N 2.96Å
1641	G	82.4	Confident	74.9	Confident	11.2 Å²	11.2	68.9 Å²	68.9	12%	0.115	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.9	178.3	0	0	0	0	0	112.1	R1622 I1623 R1624 M1656 N1657	R1622-G1641 CarbonylContact O-C 3.36Å; I1623-G1641 CarbonylContact C-O 3.49Å; I1623-G1641 VanDerWaalsContact CA-O 3.22Å; I1623-G1641 WeakPolarHBondContact CA-O 3.26Å; R1624-G1641 PolarHBondContact N-O 3.03Å; R1624-G1641 PolarHBondContact O-N 2.94Å; G1641-M1656 CarbonylContact C-O 3.49Å; G1641-M1656 WeakPolarHBondContact CA-O 3.38Å; G1641-N1657 VanDerWaalsContact CA-OD1 3.25Å; G1641-N1657 WeakPolarHBondContact CA-OD1 3.23Å
1642	L	82.9	Confident	74.7	Confident	46.8 Å²	46.8	62.4 Å²	62.4	25%	0.245	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	119.1	172.3	-173.1	149.3	0	0	0	108.3	R1622 I1623 I1647 M1655 M1656 N1657	R1622-L1642 CarbonylContact O-C 3.52Å; R1622-L1642 VanDerWaalsContact O-CA 3.29Å; R1622-L1642 WeakPolarHBondContact O-CA 3.39Å; R1622-L1642 PolarHBondContact O-N 3.29Å; I1623-L1642 HydrophobicContact CG1-CD1 4.46Å; I1623-L1642 HydrophobicContact CG1-CG 4.41Å; L1642-I1647 HydrophobicContact CD1-CD1 4.16Å; L1642-I1647 HydrophobicContact CD2-CB 4.38Å; L1642-I1647 HydrophobicContact CD2-CD1 3.99Å; L1642-I1647 HydrophobicContact CD2-CG2 4.17Å; L1642-I1647 HydrophobicContact CG-CD1 4.36Å; L1642-M1655 CarbonylContact O-C 3.51Å; L1642-M1655 VanDerWaalsContact O-CA 3.28Å; L1642-M1655 WeakPolarHBondContact O-CA 3.34Å; L1642-M1656 PolarHBondContact N-O 3.06Å; L1642-M1656 PolarHBondContact O-N 3.05Å; L1642-N1657 PolarHBondContact N-OD1 3.2Å; L1642-N1657 VanDerWaalsContact N-OD1 3.11Å
1643	D	83.5	Confident	74.8	Confident	34 Å²	34	59.3 Å²	59.3	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	105.4	-179.5	-179.4	19.3	0	0	0	108.8	P1620 I1621 R1622 E1654 M1655 R1684	P1620-D1643 CarbonylContact C-O 3.5Å; I1621-D1643 CarbonylContact C-O 3.46Å; I1621-D1643 VanDerWaalsContact CA-O 3.24Å; I1621-D1643 WeakPolarHBondContact CA-O 3.27Å; I1621-D1643 PolarHBondContact N-O 2.75Å; I1621-D1643 VanDerWaalsContact N-O 3.08Å; R1622-D1643 HydrophobicContact CB-CB 4.19Å; R1622-D1643 WeakPolarHBondContact CD-OD2 3.11Å; R1622-D1643 HydrophobicContact CG-CB 4.25Å; R1622-D1643 IonicContact CZ-OD2 3.73Å; R1622-D1643 PolarHBondContact N-O 2.84Å; R1622-D1643 IonicContact NE-OD2 2.69Å; R1622-D1643 IonicContact NH1-OD2 2.76Å; R1622-D1643 PolarHBondContact NH1-OD2 2.86Å; R1622-D1643 PolarHBondContact O-N 3.03Å; D1643-E1654 CarbonylContact C-O 3.53Å; D1643-E1654 WeakPolarHBondContact CA-O 3.39Å; D1643-M1655 HydrophobicContact CB-CE 4.35Å; D1643-M1655 HydrophobicContact CB-CG 4.23Å; D1643-M1655 VanDerWaalsContact OD1-CE 3.31Å; D1643-M1655 WeakPolarHBondContact OD1-CE 3.38Å; D1643-R1684 IonicContact OD1-NH1 2.72Å
1644	S	80.6	Confident	74.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	117.7	-175.1	176.3	0	0	0	0	112.7	P1620 I1621 L1646 I1647 G1648 E1654	P1620-S1644 VanDerWaalsContact O-CA 3.31Å; P1620-S1644 WeakPolarHBondContact O-CA 3.17Å; P1620-S1644 PolarHBondContact O-OG 3.49Å; I1621-S1644 WeakPolarHBondContact CG1-OG 3.13Å; S1644-L1646 VanDerWaalsContact C-N 3.3Å; S1644-L1646 PolarHBondContact O-N 2.96Å; S1644-L1646 PolarHBondContact OG-N 3.03Å; S1644-I1647 PolarHBondContact O-N 2.97Å; S1644-I1647 WeakPolarHBondContact OG-CB 3.16Å; S1644-I1647 WeakPolarHBondContact OG-CD1 3.42Å; S1644-I1647 VanDerWaalsContact OG-CG1 3.23Å; S1644-I1647 WeakPolarHBondContact OG-CG1 3.44Å; S1644-I1647 PolarHBondContact OG-N 2.86Å; S1644-I1647 VanDerWaalsContact OG-N 3.13Å; S1644-G1648 PolarHBondContact O-N 2.93Å; S1644-E1654 CarbonylContact C-O 3.54Å; S1644-E1654 VanDerWaalsContact C-O 3.22Å; S1644-E1654 WeakPolarHBondContact CA-O 2.73Å; S1644-E1654 PolarHBondContact N-O 2.85Å; S1644-E1654 WeakPolarHBondContact O-CA 3.02Å
1645	Q	73	Confident	75.2	Confident	83.4 Å²	83.4	53.5 Å²	53.5	39%	0.39	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-31.4	173.4	-90	176.8	-9.7	0	0	113.1	P1620 G1648 Y1649 E1654 Y1686 Y2141 I2142	P1620-Q1645 PolarHBondContact O-N 2.79Å; Q1645-G1648 CarbonylContact O-C 3.4Å; Q1645-G1648 WeakPolarHBondContact O-CA 3.39Å; Q1645-G1648 PolarHBondContact O-N 2.84Å; Q1645-Y1649 PolarHBondContact O-N 3.1Å; Q1645-E1654 HydrophobicContact CG-CG 3.95Å; Q1645-E1654 WeakPolarHBondContact CG-OE1 3.34Å; Q1645-E1654 PolarHBondContact NE2-OE1 3.04Å; Q1645-E1654 VanDerWaalsContact NE2-OE1 3.08Å; Q1645-Y1686 HydrophobicContact CG-CE2 4.28Å; Q1645-Y1686 WeakPolarHBondContact O-CD2 3.47Å; Q1645-Y1686 WeakPolarHBondContact O-CE2 3.23Å; Q1645-Y2141 PolarHBondContact NE2-O 3.05Å; Q1645-Y2141 PolarHBondContact OE1-O 3.01Å; Q1645-I2142 VanDerWaalsContact OE1-N 3.1Å
1646	L	66.8	Low	75.2	Confident	48.4 Å²	48.4	53.7 Å²	53.7	25%	0.253	26%	0.262	S	S	.	.	H	α-helix	trans	-71.7	-44.1	177.5	-168.2	140.8	0	0	0	111.8	Y1609 L1611 I1621 S1644 G1648 Y1649 Y1650	Y1609-L1646 HydrophobicContact CE1-CB 3.99Å; Y1609-L1646 HydrophobicContact CE1-CD1 3.83Å; Y1609-L1646 HydrophobicContact CE1-CG 4.43Å; Y1609-L1646 HydrophobicContact CE2-CB 4.38Å; Y1609-L1646 HydrophobicContact CE2-CD1 3.71Å; Y1609-L1646 WeakPolarHBondContact OH-CA 3.12Å; Y1609-L1646 VanDerWaalsContact OH-CB 3.3Å; Y1609-L1646 WeakPolarHBondContact OH-CB 3.37Å; Y1609-L1646 WeakPolarHBondContact OH-CD1 3.36Å; Y1609-L1646 VanDerWaalsContact OH-CG 3.27Å; Y1609-L1646 WeakPolarHBondContact OH-CG 3.38Å; Y1609-L1646 PolarHBondContact OH-N 2.8Å; L1611-L1646 HydrophobicContact CD1-CD1 4.14Å; I1621-L1646 HydrophobicContact CD1-CB 4.02Å; S1644-L1646 VanDerWaalsContact C-N 3.3Å; S1644-L1646 PolarHBondContact O-N 2.96Å; S1644-L1646 PolarHBondContact OG-N 3.03Å; L1646-G1648 VanDerWaalsContact C-N 3.29Å; L1646-G1648 PolarHBondContact O-N 2.91Å; L1646-Y1649 WeakPolarHBondContact O-CB 3.39Å; L1646-Y1649 PolarHBondContact O-N 2.8Å; L1646-Y1649 VanDerWaalsContact O-N 3.12Å; L1646-Y1650 HydrophobicContact CD1-CE2 4.02Å; L1646-Y1650 HydrophobicContact CD2-CD2 3.89Å; L1646-Y1650 HydrophobicContact CD2-CE2 3.78Å; L1646-Y1650 HydrophobicContact CG-CD2 3.99Å; L1646-Y1650 HydrophobicContact CG-CE2 3.79Å; L1646-Y1650 VanDerWaalsContact O-CD2 3.25Å; L1646-Y1650 WeakPolarHBondContact O-CD2 3.26Å; L1646-Y1650 PolarHBondContact O-N 2.95Å; L1646-Y1650 VanDerWaalsContact O-N 3.16Å
1647	I	65.8	Low	75.3	Confident	41.2 Å²	41.2	56.1 Å²	56.1	21%	0.211	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-34.9	174.6	-63.1	173.4	0	0	0	109.2	I1621 L1642 S1644 Y1649 Y1650 I1651 Y1653	I1621-I1647 HydrophobicContact CG2-CD1 4.27Å; L1642-I1647 HydrophobicContact CD1-CD1 4.16Å; L1642-I1647 HydrophobicContact CD2-CB 4.38Å; L1642-I1647 HydrophobicContact CD2-CD1 3.99Å; L1642-I1647 HydrophobicContact CD2-CG2 4.17Å; L1642-I1647 HydrophobicContact CG-CD1 4.36Å; S1644-I1647 PolarHBondContact O-N 2.97Å; S1644-I1647 WeakPolarHBondContact OG-CB 3.16Å; S1644-I1647 WeakPolarHBondContact OG-CD1 3.42Å; S1644-I1647 VanDerWaalsContact OG-CG1 3.23Å; S1644-I1647 WeakPolarHBondContact OG-CG1 3.44Å; S1644-I1647 PolarHBondContact OG-N 2.86Å; S1644-I1647 VanDerWaalsContact OG-N 3.13Å; I1647-Y1649 PolarHBondContact O-N 3.04Å; I1647-Y1650 PolarHBondContact O-N 2.89Å; I1647-Y1650 VanDerWaalsContact O-N 3.1Å; I1647-I1651 HydrophobicContact CG2-CB 4.38Å; I1647-I1651 HydrophobicContact CG2-CD1 3.59Å; I1647-I1651 VanDerWaalsContact CG2-CD1 3.49Å; I1647-I1651 HydrophobicContact CG2-CG1 3.96Å; I1647-I1651 WeakPolarHBondContact O-CA 2.91Å; I1647-I1651 VanDerWaalsContact O-CB 3.31Å; I1647-I1651 WeakPolarHBondContact O-CB 3.35Å; I1647-I1651 WeakPolarHBondContact O-CG1 3.26Å; I1647-I1651 PolarHBondContact O-N 2.95Å; I1647-Y1653 CarbonylContact C-O 3.47Å
1648	G	63.2	Low	75.1	Confident	0.2 Å²	0.2	55.6 Å²	55.6	0%	0.002	27%	0.273	C	S	.	.	H	α-helix	trans	-55.1	-49.9	168.2	0	0	0	0	0	113.4	S1644 Q1645 L1646 Y1650 G1652 Y1653 Y1686	S1644-G1648 PolarHBondContact O-N 2.93Å; Q1645-G1648 CarbonylContact O-C 3.4Å; Q1645-G1648 WeakPolarHBondContact O-CA 3.39Å; Q1645-G1648 PolarHBondContact O-N 2.84Å; L1646-G1648 VanDerWaalsContact C-N 3.29Å; L1646-G1648 PolarHBondContact O-N 2.91Å; G1648-Y1650 VanDerWaalsContact C-N 3.29Å; G1648-Y1650 PolarHBondContact O-N 2.82Å; G1648-G1652 CarbonylContact O-C 3.49Å; G1648-G1652 VanDerWaalsContact O-CA 3.24Å; G1648-G1652 WeakPolarHBondContact O-CA 3.35Å; G1648-G1652 PolarHBondContact O-N 2.91Å; G1648-Y1653 VanDerWaalsContact CA-C 3.43Å; G1648-Y1653 VanDerWaalsContact CA-O 3.22Å; G1648-Y1653 WeakPolarHBondContact CA-O 3.36Å; G1648-Y1653 PolarHBondContact N-O 2.75Å; G1648-Y1653 VanDerWaalsContact N-O 3.16Å; G1648-Y1686 VanDerWaalsContact C-CD2 3.42Å; G1648-Y1686 VanDerWaalsContact C-CG 3.47Å; G1648-Y1686 VanDerWaalsContact O-CB 3.26Å; G1648-Y1686 WeakPolarHBondContact O-CB 3.36Å
1649	Y	63	Low	75.1	Confident	142.2 Å²	142.2	57.7 Å²	57.7	56%	0.558	28%	0.282	S	S	*	.	H	α-helix	trans	-59.6	-35.5	178.6	-178.2	-97.2	0	0	0	112.8	Q1645 L1646 I1647 Y1686	Q1645-Y1649 PolarHBondContact O-N 3.1Å; L1646-Y1649 WeakPolarHBondContact O-CB 3.39Å; L1646-Y1649 PolarHBondContact O-N 2.8Å; L1646-Y1649 VanDerWaalsContact O-N 3.12Å; I1647-Y1649 PolarHBondContact O-N 3.04Å; Y1649-Y1686 AromaticContact CD2-CE1 3.83Å; Y1649-Y1686 HydrophobicContact CD2-CE1 3.94Å; Y1649-Y1686 HydrophobicContact CD2-CE2 4.4Å; Y1649-Y1686 AromaticContact CD2-CZ 3.79Å; Y1649-Y1686 HydrophobicContact CG-CE1 4.49Å; Y1649-Y1686 VanDerWaalsContact N-CD2 3.29Å
1650	Y	55.1	Low	75	Confident	147.4 Å²	147.4	58.4 Å²	58.4	58%	0.578	29%	0.287	S	S	*	.	H	α-helix	trans	-90.3	-33.6	-177.4	-72.6	-64.6	0	0	0	115.4	L1208 L1646 I1647 G1648	L1208-Y1650 HydrophobicContact CD1-CD1 4.25Å; L1208-Y1650 HydrophobicContact CD1-CE1 4.44Å; L1646-Y1650 HydrophobicContact CD1-CE2 4.02Å; L1646-Y1650 HydrophobicContact CD2-CD2 3.89Å; L1646-Y1650 HydrophobicContact CD2-CE2 3.78Å; L1646-Y1650 HydrophobicContact CG-CD2 3.99Å; L1646-Y1650 HydrophobicContact CG-CE2 3.79Å; L1646-Y1650 VanDerWaalsContact O-CD2 3.25Å; L1646-Y1650 WeakPolarHBondContact O-CD2 3.26Å; L1646-Y1650 PolarHBondContact O-N 2.95Å; L1646-Y1650 VanDerWaalsContact O-N 3.16Å; I1647-Y1650 PolarHBondContact O-N 2.89Å; I1647-Y1650 VanDerWaalsContact O-N 3.1Å; G1648-Y1650 VanDerWaalsContact C-N 3.29Å; G1648-Y1650 PolarHBondContact O-N 2.82Å
1651	I	61.2	Low	75.1	Confident	106 Å²	106	59.7 Å²	59.7	54%	0.544	29%	0.291	S	S	.	.	H	α-helix	trans	-111.4	-12	-173.2	-47.6	-171.5	0	0	0	111.5	F1218 I1647 Y1653	F1218-I1651 HydrophobicContact CE1-CD1 3.91Å; F1218-I1651 HydrophobicContact CZ-CD1 4.34Å; I1647-I1651 HydrophobicContact CG2-CB 4.38Å; I1647-I1651 HydrophobicContact CG2-CD1 3.59Å; I1647-I1651 VanDerWaalsContact CG2-CD1 3.49Å; I1647-I1651 HydrophobicContact CG2-CG1 3.96Å; I1647-I1651 WeakPolarHBondContact O-CA 2.91Å; I1647-I1651 VanDerWaalsContact O-CB 3.31Å; I1647-I1651 WeakPolarHBondContact O-CB 3.35Å; I1647-I1651 WeakPolarHBondContact O-CG1 3.26Å; I1647-I1651 PolarHBondContact O-N 2.95Å; I1651-Y1653 VanDerWaalsContact C-N 3.33Å; I1651-Y1653 HydrophobicContact CG2-CD2 4.23Å; I1651-Y1653 WeakPolarHBondContact O-CD2 3.34Å
1652	G	66.1	Low	75.2	Confident	30 Å²	30	60.9 Å²	60.9	31%	0.309	29%	0.292	S	S	.	.	S	Bend	trans	86.1	-2.9	-176.8	0	0	0	0	0	114.6	G1648 L1685 Y1686	G1648-G1652 CarbonylContact O-C 3.49Å; G1648-G1652 VanDerWaalsContact O-CA 3.24Å; G1648-G1652 WeakPolarHBondContact O-CA 3.35Å; G1648-G1652 PolarHBondContact O-N 2.91Å; G1652-L1685 CarbonylContact O-C 3.23Å; G1652-L1685 VanDerWaalsContact O-CA 3.28Å; G1652-L1685 WeakPolarHBondContact O-CA 3.41Å; G1652-L1685 WeakPolarHBondContact O-CD2 3.42Å; G1652-Y1686 PolarHBondContact O-N 2.94Å
1653	Y	73.4	Confident	75.1	Confident	83.8 Å²	83.8	62.4 Å²	62.4	33%	0.329	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	107.9	-179.9	-63.8	-86.8	0	0	0	111.5	I1647 G1648 I1651 M1655 M1656 Y1683 R1684 L1685	I1647-Y1653 CarbonylContact C-O 3.47Å; G1648-Y1653 VanDerWaalsContact CA-C 3.43Å; G1648-Y1653 VanDerWaalsContact CA-O 3.22Å; G1648-Y1653 WeakPolarHBondContact CA-O 3.36Å; G1648-Y1653 PolarHBondContact N-O 2.75Å; G1648-Y1653 VanDerWaalsContact N-O 3.16Å; I1651-Y1653 VanDerWaalsContact C-N 3.33Å; I1651-Y1653 HydrophobicContact CG2-CD2 4.23Å; I1651-Y1653 WeakPolarHBondContact O-CD2 3.34Å; Y1653-M1655 VanDerWaalsContact C-N 3.28Å; Y1653-M1655 PolarHBondContact O-N 2.88Å; Y1653-M1656 HydrophobicContact CG-CG 4.48Å; Y1653-M1656 HydrophobicContact CG-SD 4.43Å; Y1653-Y1683 AromaticContact CD1-CD2 3.77Å; Y1653-Y1683 HydrophobicContact CD1-CD2 3.77Å; Y1653-Y1683 HydrophobicContact CD1-CE2 4.46Å; Y1653-Y1683 HydrophobicContact CD1-CG 4.3Å; Y1653-Y1683 AromaticContact CE1-CD2 3.54Å; Y1653-Y1683 HydrophobicContact CE1-CD2 3.54Å; Y1653-Y1683 VanDerWaalsContact CE1-CD2 3.45Å; Y1653-Y1683 AromaticContact CE1-CE2 3.87Å; Y1653-Y1683 HydrophobicContact CE1-CE2 3.98Å; Y1653-Y1683 AromaticContact CE1-CG 3.98Å; Y1653-Y1683 HydrophobicContact CE1-CG 4.14Å; Y1653-R1684 CarbonylContact C-O 3.53Å; Y1653-R1684 VanDerWaalsContact CA-O 3.25Å; Y1653-R1684 WeakPolarHBondContact CA-O 3.35Å; Y1653-L1685 HydrophobicContact CD1-CD2 4Å; Y1653-L1685 HydrophobicContact CE1-CD2 3.72Å
1654	E	75.2	Confident	74.9	Confident	23.6 Å²	23.6	63.6 Å²	63.6	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-32.5	176.7	175.9	-179.9	178.3	0	0	111.8	D1643 S1644 Q1645 R1684	D1643-E1654 CarbonylContact C-O 3.53Å; D1643-E1654 WeakPolarHBondContact CA-O 3.39Å; S1644-E1654 CarbonylContact C-O 3.54Å; S1644-E1654 VanDerWaalsContact C-O 3.22Å; S1644-E1654 WeakPolarHBondContact CA-O 2.73Å; S1644-E1654 PolarHBondContact N-O 2.85Å; S1644-E1654 WeakPolarHBondContact O-CA 3.02Å; Q1645-E1654 HydrophobicContact CG-CG 3.95Å; Q1645-E1654 WeakPolarHBondContact CG-OE1 3.34Å; Q1645-E1654 PolarHBondContact NE2-OE1 3.04Å; Q1645-E1654 VanDerWaalsContact NE2-OE1 3.08Å; E1654-R1684 HydrophobicContact CB-CB 4.34Å; E1654-R1684 PolarHBondContact N-O 2.87Å; E1654-R1684 VanDerWaalsContact OE1-CD 3.29Å; E1654-R1684 WeakPolarHBondContact OE1-CD 3.35Å; E1654-R1684 IonicContact OE1-CZ 2.82Å; E1654-R1684 IonicContact OE1-NE 2.73Å; E1654-R1684 IonicContact OE1-NH1 2.99Å; E1654-R1684 PolarHBondContact OE1-NH1 3.14Å; E1654-R1684 VanDerWaalsContact OE2-CD 3.26Å; E1654-R1684 WeakPolarHBondContact OE2-CD 3.23Å; E1654-R1684 IonicContact OE2-CZ 2.75Å; E1654-R1684 IonicContact OE2-NE 3.7Å; E1654-R1684 IonicContact OE2-NH1 2.62Å; E1654-R1684 PolarHBondContact OE2-NH1 3.37Å
1655	M	82.3	Confident	74.4	Confident	23.8 Å²	23.8	65.9 Å²	65.9	12%	0.117	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.5	-176.6	-168.4	-166.7	81.7	0	0	110.6	L1642 D1643 Y1653 N1657 G1682 Y1683 R1684 T1691	L1642-M1655 CarbonylContact O-C 3.51Å; L1642-M1655 VanDerWaalsContact O-CA 3.28Å; L1642-M1655 WeakPolarHBondContact O-CA 3.34Å; D1643-M1655 HydrophobicContact CB-CE 4.35Å; D1643-M1655 HydrophobicContact CB-CG 4.23Å; D1643-M1655 VanDerWaalsContact OD1-CE 3.31Å; D1643-M1655 WeakPolarHBondContact OD1-CE 3.38Å; Y1653-M1655 VanDerWaalsContact C-N 3.28Å; Y1653-M1655 PolarHBondContact O-N 2.88Å; M1655-N1657 VanDerWaalsContact CE-ND2 3.29Å; M1655-N1657 WeakPolarHBondContact CE-ND2 3.4Å; M1655-N1657 PolarHBondContact SD-ND2 3.41Å; M1655-G1682 WeakPolarHBondContact CE-O 3.46Å; M1655-Y1683 CarbonylContact O-C 3.56Å; M1655-Y1683 WeakPolarHBondContact O-CA 3.34Å; M1655-Y1683 WeakPolarHBondContact O-CB 3.28Å; M1655-R1684 HydrophobicContact CB-CB 3.77Å; M1655-R1684 HydrophobicContact CE-CB 4.42Å; M1655-R1684 PolarHBondContact N-O 2.89Å; M1655-R1684 PolarHBondContact O-N 3.22Å; M1655-T1691 HydrophobicContact CE-CG2 3.46Å; M1655-T1691 VanDerWaalsContact CE-CG2 3.46Å; M1655-T1691 HydrophobicContact SD-CG2 4.21Å
1656	M	82.5	Confident	73.8	Confident	92.8 Å²	92.8	64.1 Å²	64.1	46%	0.457	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	116.6	170.9	-64.3	-177.5	75.2	0	0	109.4	G1641 L1642 Y1653 G1682	G1641-M1656 CarbonylContact C-O 3.49Å; G1641-M1656 WeakPolarHBondContact CA-O 3.38Å; L1642-M1656 PolarHBondContact N-O 3.06Å; L1642-M1656 PolarHBondContact O-N 3.05Å; Y1653-M1656 HydrophobicContact CG-CG 4.48Å; Y1653-M1656 HydrophobicContact CG-SD 4.43Å; M1656-G1682 CarbonylContact C-O 3.48Å; M1656-G1682 WeakPolarHBondContact CA-O 3.29Å
1657	N	85.3	Confident	73.2	Confident	50.4 Å²	50.4	64.4 Å²	64.4	27%	0.27	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.8	178.1	-66.2	-20.5	0	0	0	109.8	I1640 G1641 L1642 M1655 I1681 G1682	I1640-N1657 CarbonylContact O-C 3.53Å; I1640-N1657 VanDerWaalsContact O-CA 3.29Å; I1640-N1657 WeakPolarHBondContact O-CA 3.41Å; G1641-N1657 VanDerWaalsContact CA-OD1 3.25Å; G1641-N1657 WeakPolarHBondContact CA-OD1 3.23Å; L1642-N1657 PolarHBondContact N-OD1 3.2Å; L1642-N1657 VanDerWaalsContact N-OD1 3.11Å; M1655-N1657 VanDerWaalsContact CE-ND2 3.29Å; M1655-N1657 WeakPolarHBondContact CE-ND2 3.4Å; M1655-N1657 PolarHBondContact SD-ND2 3.41Å; N1657-I1681 CarbonylContact O-C 3.47Å; N1657-I1681 VanDerWaalsContact O-CA 3.32Å; N1657-I1681 WeakPolarHBondContact O-CA 3.34Å; N1657-G1682 PolarHBondContact N-O 2.84Å; N1657-G1682 PolarHBondContact O-N 3.07Å
1658	T	81.7	Confident	72.6	Confident	36.8 Å²	36.8	69.6 Å²	69.6	23%	0.226	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.2	169.9	60.5	0	0	0	0	109.3	L1638 E1639 I1640 C1679 L1680 I1681	L1638-T1658 VanDerWaalsContact O-O 3.07Å; E1639-T1658 CarbonylContact C-O 3.39Å; E1639-T1658 WeakPolarHBondContact CA-O 3.29Å; I1640-T1658 WeakPolarHBondContact CB-OG1 3.28Å; I1640-T1658 PolarHBondContact N-O 2.93Å; I1640-T1658 PolarHBondContact O-N 2.96Å; T1658-C1679 VanDerWaalsContact CG2-SG 3.58Å; T1658-L1680 CarbonylContact C-O 3.5Å; T1658-L1680 VanDerWaalsContact CA-O 3.28Å; T1658-L1680 WeakPolarHBondContact CA-O 3.43Å; T1658-I1681 HydrophobicContact CG2-CB 4.41Å; T1658-I1681 HydrophobicContact CG2-CD1 4.28Å; T1658-I1681 HydrophobicContact CG2-CG1 3.98Å; T1658-I1681 HydrophobicContact CG2-CG2 4.19Å
1659	M	84.1	Confident	72	Confident	91 Å²	91	77 Å²	77	45%	0.448	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	109.3	175.6	-62	-179.3	-141	0	0	108.7	L1638 E1639 C1679 L1680	L1638-M1659 CarbonylContact O-C 3.38Å; L1638-M1659 WeakPolarHBondContact O-CA 3.26Å; E1639-M1659 HydrophobicContact CB-CB 4.44Å; E1639-M1659 HydrophobicContact CB-CG 4.13Å; E1639-M1659 HydrophobicContact CG-CB 4.2Å; E1639-M1659 HydrophobicContact CG-CG 4.33Å; M1659-C1679 CarbonylContact O-C 3.51Å; M1659-C1679 VanDerWaalsContact O-CA 3.28Å; M1659-C1679 WeakPolarHBondContact O-CA 3.22Å; M1659-L1680 HydrophobicContact CB-CB 4.23Å; M1659-L1680 HydrophobicContact CE-CB 3.99Å; M1659-L1680 HydrophobicContact CE-CD1 4.01Å; M1659-L1680 PolarHBondContact N-O 2.91Å; M1659-L1680 PolarHBondContact O-N 2.89Å
1660	M	83.5	Confident	71.3	Confident	63 Å²	63	75.7 Å²	75.7	31%	0.31	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120	-179.9	-169.4	-173.1	-179.8	0	0	110.1	N1637 L1638 S1677 R1678 C1679	N1637-M1660 CarbonylContact C-O 3.53Å; N1637-M1660 VanDerWaalsContact C-O 3.3Å; N1637-M1660 VanDerWaalsContact CA-O 3.3Å; N1637-M1660 WeakPolarHBondContact CA-O 3.23Å; N1637-M1660 WeakPolarHBondContact CB-O 3.19Å; L1638-M1660 HydrophobicContact CB-CB 4.22Å; L1638-M1660 HydrophobicContact CB-CG 4.18Å; L1638-M1660 HydrophobicContact CD2-CE 4.38Å; L1638-M1660 HydrophobicContact CD2-CG 4.47Å; L1638-M1660 HydrophobicContact CD2-SD 4.21Å; L1638-M1660 PolarHBondContact N-O 3.09Å; L1638-M1660 PolarHBondContact O-N 2.98Å; M1660-S1677 WeakPolarHBondContact CE-OG 3.22Å; M1660-S1677 WeakPolarHBondContact CG-OG 3.44Å; M1660-R1678 CarbonylContact C-O 3.5Å; M1660-R1678 VanDerWaalsContact CA-O 3.28Å; M1660-R1678 WeakPolarHBondContact CA-O 3.19Å; M1660-C1679 HydrophobicContact CB-CB 4.14Å; M1660-C1679 HydrophobicContact CG-CB 4.11Å; M1660-C1679 HydrophobicContact SD-CB 4.33Å
1661	E	84.5	Confident	71.5	Confident	97.4 Å²	97.4	75.3 Å²	75.3	46%	0.455	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	143.6	166.8	-54.4	-163.8	134.3	0	0	108.7	G1636 N1637 S1677 R1678	G1636-E1661 CarbonylContact O-C 3.14Å; G1636-E1661 WeakPolarHBondContact O-CA 3.26Å; N1637-E1661 HydrophobicContact CB-CG 4.46Å; N1637-E1661 PolarHBondContact ND2-OE1 3.18Å; N1637-E1661 WeakPolarHBondContact OD1-CG 3.38Å; E1661-S1677 CarbonylContact O-C 3.42Å; E1661-S1677 VanDerWaalsContact O-C 3.28Å; E1661-S1677 VanDerWaalsContact O-CA 3.28Å; E1661-S1677 WeakPolarHBondContact O-CA 3.36Å; E1661-S1677 VanDerWaalsContact O-CB 3.23Å; E1661-S1677 WeakPolarHBondContact O-CB 3Å; E1661-S1677 PolarHBondContact O-OG 2.9Å; E1661-R1678 HydrophobicContact CB-CB 4.39Å; E1661-R1678 PolarHBondContact N-O 3.11Å; E1661-R1678 PolarHBondContact O-N 2.95Å
1662	Y	85.7	Confident	71.4	Confident	36.8 Å²	36.8	71.1 Å²	71.1	14%	0.144	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.3	173.8	77.2	-89	0	0	0	111.5	F1627 H1629 Y1633 H1635 G1636 F1675 I1676	F1627-Y1662 HydrophobicContact CE2-CD1 4.34Å; F1627-Y1662 AromaticContact CE2-CE1 3.76Å; F1627-Y1662 HydrophobicContact CE2-CE1 3.82Å; F1627-Y1662 AromaticContact CZ-CE1 3.91Å; F1627-Y1662 HydrophobicContact CZ-CE1 4.07Å; H1629-Y1662 HydrophobicContact CB-CE1 4.4Å; H1629-Y1662 WeakPolarHBondContact CB-OH 3.26Å; Y1633-Y1662 VanDerWaalsContact O-CE2 3.25Å; Y1633-Y1662 WeakPolarHBondContact O-CE2 3.31Å; Y1633-Y1662 PolarHBondContact O-OH 3.44Å; H1635-Y1662 CarbonylContact C-O 3.44Å; H1635-Y1662 WeakPolarHBondContact CA-O 3.28Å; H1635-Y1662 VanDerWaalsContact CB-O 3.23Å; H1635-Y1662 WeakPolarHBondContact CB-O 3.39Å; H1635-Y1662 PolarHBondContact ND1-O 2.94Å; H1635-Y1662 PolarHBondContact O-OH 3.27Å; G1636-Y1662 VanDerWaalsContact C-CD1 3.43Å; G1636-Y1662 VanDerWaalsContact C-CE1 3.44Å; G1636-Y1662 VanDerWaalsContact CA-CE1 3.41Å; G1636-Y1662 PolarHBondContact N-O 2.94Å; G1636-Y1662 VanDerWaalsContact N-O 3.14Å; G1636-Y1662 WeakPolarHBondContact O-CA 3.43Å; G1636-Y1662 VanDerWaalsContact O-CD1 3.24Å; G1636-Y1662 WeakPolarHBondContact O-CD1 3.19Å; G1636-Y1662 WeakPolarHBondContact O-CE1 3.35Å; G1636-Y1662 PolarHBondContact O-N 2.96Å; G1636-Y1662 VanDerWaalsContact O-O 3.13Å; Y1662-F1675 AromaticContact CD2-CE2 3.88Å; Y1662-F1675 HydrophobicContact CD2-CE2 4.1Å; Y1662-F1675 HydrophobicContact CG-CE2 4.41Å; Y1662-I1676 CarbonylContact C-O 3.47Å; Y1662-I1676 VanDerWaalsContact CA-O 3.28Å; Y1662-I1676 WeakPolarHBondContact CA-O 3.34Å; Y1662-I1676 WeakPolarHBondContact CB-O 3.48Å
1663	Q	81.6	Confident	71.3	Confident	77.2 Å²	77.2	72.2 Å²	72.2	36%	0.361	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.6	175.6	-173	168.6	-3.8	0	0	108.7	P1444 K1634 H1635 D1665 F1675 I1676	P1444-Q1663 VanDerWaalsContact CB-CD 3.48Å; P1444-Q1663 HydrophobicContact CB-CG 3.8Å; P1444-Q1663 HydrophobicContact CG-CG 3.98Å; P1444-Q1663 VanDerWaalsContact CG-OE1 3.22Å; P1444-Q1663 PolarHBondContact O-NE2 3Å; K1634-Q1663 CarbonylContact O-C 3.46Å; K1634-Q1663 WeakPolarHBondContact O-CA 3.36Å; K1634-Q1663 WeakPolarHBondContact O-CG 3.31Å; H1635-Q1663 HydrophobicContact CB-CB 4.26Å; H1635-Q1663 HydrophobicContact CB-CG 4.2Å; Q1663-D1665 PolarHBondContact NE2-OD1 2.84Å; Q1663-D1665 PolarHBondContact NE2-OD2 3.02Å; Q1663-F1675 CarbonylContact O-C 2.91Å; Q1663-F1675 VanDerWaalsContact O-CA 3.24Å; Q1663-F1675 WeakPolarHBondContact O-CA 3.29Å; Q1663-F1675 WeakPolarHBondContact O-CD2 3.17Å; Q1663-F1675 VanDerWaalsContact O-CG 3.3Å; Q1663-F1675 WeakPolarHBondContact O-CG 3.42Å; Q1663-I1676 HydrophobicContact CB-CB 4.17Å; Q1663-I1676 HydrophobicContact CB-CG1 4.47Å; Q1663-I1676 PolarHBondContact N-O 2.93Å; Q1663-I1676 PolarHBondContact O-N 2.86Å; Q1663-I1676 VanDerWaalsContact O-N 3.07Å
1664	L	77.4	Confident	71.3	Confident	59.4 Å²	59.4	69.6 Å²	69.6	31%	0.311	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	96.4	176.9	-175.2	121.9	0	0	0	108.6	K1634 S1666 I1673 D1674 F1675	K1634-L1664 VanDerWaalsContact CA-O 3.23Å; K1634-L1664 WeakPolarHBondContact CA-O 3.21Å; K1634-L1664 VanDerWaalsContact CB-O 3.26Å; K1634-L1664 WeakPolarHBondContact CB-O 3.11Å; K1634-L1664 WeakPolarHBondContact CG-O 3.41Å; K1634-L1664 CarbonylContact O-C 3.26Å; K1634-L1664 PolarHBondContact O-N 2.99Å; L1664-S1666 WeakPolarHBondContact CD2-OG 3.31Å; L1664-S1666 PolarHBondContact O-N 3.04Å; L1664-S1666 VanDerWaalsContact O-N 3.15Å; L1664-I1673 HydrophobicContact CD1-CG2 4.15Å; L1664-I1673 HydrophobicContact CG-CG2 4.2Å; L1664-D1674 CarbonylContact C-O 3.43Å; L1664-D1674 WeakPolarHBondContact CA-O 3.43Å; L1664-D1674 PolarHBondContact N-O 3.02Å; L1664-F1675 HydrophobicContact CB-CD2 4.28Å; L1664-F1675 HydrophobicContact CD1-CB 4.25Å; L1664-F1675 HydrophobicContact CD1-CD2 4.17Å
1665	D	70.1	Confident	71.4	Confident	48.4 Å²	48.4	70.9 Å²	70.9	26%	0.259	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	88	-177.6	-99.8	18.5	0	0	0	111.1	P1444 L1445 Q1663 S1667 K1670 S1672 D1674	P1444-D1665 WeakPolarHBondContact CA-OD2 3.38Å; P1444-D1665 HydrophobicContact CB-CB 3.2Å; L1445-D1665 PolarHBondContact N-OD1 2.75Å; Q1663-D1665 PolarHBondContact NE2-OD1 2.84Å; Q1663-D1665 PolarHBondContact NE2-OD2 3.02Å; D1665-S1667 VanDerWaalsContact C-N 3.26Å; D1665-S1667 PolarHBondContact O-N 2.99Å; D1665-S1667 VanDerWaalsContact O-N 3.15Å; D1665-K1670 WeakPolarHBondContact OD2-CE 3.34Å; D1665-K1670 IonicContact OD2-NZ 2.98Å; D1665-K1670 PolarHBondContact OD2-NZ 3.06Å; D1665-S1672 VanDerWaalsContact O-O 3.08Å; D1665-D1674 HydrophobicContact CB-CB 4.18Å; D1665-D1674 PolarHBondContact N-O 2.97Å; D1665-D1674 VanDerWaalsContact N-O 3.11Å; D1665-D1674 PolarHBondContact O-N 2.94Å
1666	S	60.4	Low	71.3	Confident	47 Å²	47	71.7 Å²	71.7	33%	0.329	37%	0.365	S	S	.	.			trans	-94.3	78	165.4	61.7	0	0	0	0	109.6	K1634 L1664 D1668	K1634-S1666 WeakPolarHBondContact CE-O 3.3Å; K1634-S1666 VanDerWaalsContact CE-OG 3.28Å; K1634-S1666 WeakPolarHBondContact CE-OG 3.35Å; K1634-S1666 PolarHBondContact NZ-O 2.96Å; L1664-S1666 WeakPolarHBondContact CD2-OG 3.31Å; L1664-S1666 PolarHBondContact O-N 3.04Å; L1664-S1666 VanDerWaalsContact O-N 3.15Å; S1666-D1668 PolarHBondContact O-N 3.49Å
1667	S	54.6	Low	71.2	Confident	54 Å²	54	67.8 Å²	67.8	38%	0.378	35%	0.347	S	S	.	.			trans	-79.4	133	170.4	61.5	0	0	0	0	109.3	K1634 D1665 N1669 K1670	K1634-S1667 VanDerWaalsContact NZ-CA 3.3Å; K1634-S1667 VanDerWaalsContact NZ-N 3.19Å; D1665-S1667 VanDerWaalsContact C-N 3.26Å; D1665-S1667 PolarHBondContact O-N 2.99Å; D1665-S1667 VanDerWaalsContact O-N 3.15Å; S1667-N1669 PolarHBondContact O-N 3.06Å; S1667-N1669 PolarHBondContact OG-O 2.98Å; S1667-K1670 PolarHBondContact O-N 2.91Å; S1667-K1670 VanDerWaalsContact OG-CB 3.25Å; S1667-K1670 WeakPolarHBondContact OG-CB 3.29Å; S1667-K1670 WeakPolarHBondContact OG-CD 3.33Å; S1667-K1670 WeakPolarHBondContact OG-CG 3.39Å; S1667-K1670 PolarHBondContact OG-N 2.84Å
1668	D	53.7	Low	71.1	Confident	150.8 Å²	150.8	70.9 Å²	70.9	81%	0.806	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.7	-174.7	-56	-50.7	0	0	0	113.1	K1632 S1666 K1670	K1632-D1668 IonicContact NZ-OD1 3.43Å; K1632-D1668 PolarHBondContact NZ-OD1 2.82Å; K1632-D1668 IonicContact NZ-OD2 3.86Å; K1632-D1668 PolarHBondContact NZ-OD2 2.7Å; S1666-D1668 PolarHBondContact O-N 3.49Å; D1668-K1670 PolarHBondContact O-N 3Å
1669	N	50.8	Low	71.1	Confident	155 Å²	155	69.9 Å²	69.9	83%	0.829	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	24.4	176.5	-71.6	-9.8	0	0	0	113.6	S1667 K1671	S1667-N1669 PolarHBondContact O-N 3.06Å; S1667-N1669 PolarHBondContact OG-O 2.98Å; N1669-K1671 PolarHBondContact O-N 3.04Å
1670	K	48.4	Very low	71	Confident	114.4 Å²	114.4	68.8 Å²	68.8	50%	0.497	35%	0.345	S	S	.	.	S	Bend	trans	-49.2	113.2	164.9	-79.7	-176.2	-179.4	-178.4	0	113.3	I1443 D1665 S1667 D1668 S1672 D1674	I1443-K1670 PolarHBondContact O-NZ 2.79Å; D1665-K1670 WeakPolarHBondContact OD2-CE 3.34Å; D1665-K1670 IonicContact OD2-NZ 2.98Å; D1665-K1670 PolarHBondContact OD2-NZ 3.06Å; S1667-K1670 PolarHBondContact O-N 2.91Å; S1667-K1670 VanDerWaalsContact OG-CB 3.25Å; S1667-K1670 WeakPolarHBondContact OG-CB 3.29Å; S1667-K1670 WeakPolarHBondContact OG-CD 3.33Å; S1667-K1670 WeakPolarHBondContact OG-CG 3.39Å; S1667-K1670 PolarHBondContact OG-N 2.84Å; D1668-K1670 PolarHBondContact O-N 3Å; K1670-S1672 PolarHBondContact O-N 2.81Å; K1670-S1672 VanDerWaalsContact O-N 3.13Å; K1670-D1674 IonicContact NZ-OD2 3.45Å; K1670-D1674 PolarHBondContact NZ-OD2 2.89Å
1671	K	58.2	Low	70.9	Confident	139.6 Å²	139.6	68.4 Å²	68.4	61%	0.607	34%	0.344	S	S	*	.	S	Bend	trans	-102.8	-5.9	169.4	-70	177.8	-177.8	-177.1	0	114.5	N1669 Y1703 Q1704 N1705	N1669-K1671 PolarHBondContact O-N 3.04Å; K1671-Y1703 CarbonylContact O-C 3.43Å; K1671-Y1703 VanDerWaalsContact O-CA 3.26Å; K1671-Y1703 WeakPolarHBondContact O-CA 3.22Å; K1671-Q1704 PolarHBondContact O-N 2.88Å; K1671-N1705 HydrophobicContact CB-CB 4.28Å; K1671-N1705 HydrophobicContact CD-CB 4.31Å; K1671-N1705 HydrophobicContact CG-CB 4.48Å
1672	S	59.6	Low	70.8	Confident	18.4 Å²	18.4	64.7 Å²	64.7	13%	0.129	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.5	-178.5	62	0	0	0	0	113.4	D1665 K1670 D1674 Q1702	D1665-S1672 VanDerWaalsContact O-O 3.08Å; K1670-S1672 PolarHBondContact O-N 2.81Å; K1670-S1672 VanDerWaalsContact O-N 3.13Å; S1672-D1674 VanDerWaalsContact CB-OD1 3.26Å; S1672-D1674 WeakPolarHBondContact CB-OD1 3.31Å; S1672-D1674 PolarHBondContact OG-OD1 3.07Å; S1672-Q1702 CarbonylContact C-O 3.48Å; S1672-Q1702 WeakPolarHBondContact CA-O 3.38Å
1673	I	64	Low	70.5	Confident	51.8 Å²	51.8	64.8 Å²	64.8	27%	0.266	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110.5	167.1	-58.6	170.7	0	0	0	106.3	L1664 F1675 I1701 Q1702 Q1704	L1664-I1673 HydrophobicContact CD1-CG2 4.15Å; L1664-I1673 HydrophobicContact CG-CG2 4.2Å; I1673-F1675 PolarHBondContact O-N 2.8Å; I1673-I1701 WeakPolarHBondContact O-CA 3.32Å; I1673-Q1702 HydrophobicContact CB-CB 4.41Å; I1673-Q1702 PolarHBondContact N-O 2.84Å; I1673-Q1702 PolarHBondContact O-N 2.98Å; I1673-Q1702 VanDerWaalsContact O-N 3.08Å; I1673-Q1704 HydrophobicContact CD1-CG 4.2Å; I1673-Q1704 HydrophobicContact CG1-CG 4.28Å
1674	D	73.2	Confident	70.5	Confident	30.4 Å²	30.4	64.3 Å²	64.3	16%	0.163	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	108.3	-175.3	-50.2	-14.4	0	0	0	109.4	I1443 P1444 L1664 D1665 K1670 S1672 I1701	I1443-D1674 WeakPolarHBondContact CA-OD2 3.47Å; P1444-D1674 HydrophobicContact CB-CB 4.24Å; L1664-D1674 CarbonylContact C-O 3.43Å; L1664-D1674 WeakPolarHBondContact CA-O 3.43Å; L1664-D1674 PolarHBondContact N-O 3.02Å; D1665-D1674 HydrophobicContact CB-CB 4.18Å; D1665-D1674 PolarHBondContact N-O 2.97Å; D1665-D1674 VanDerWaalsContact N-O 3.11Å; D1665-D1674 PolarHBondContact O-N 2.94Å; K1670-D1674 IonicContact NZ-OD2 3.45Å; K1670-D1674 PolarHBondContact NZ-OD2 2.89Å; S1672-D1674 VanDerWaalsContact CB-OD1 3.26Å; S1672-D1674 WeakPolarHBondContact CB-OD1 3.31Å; S1672-D1674 PolarHBondContact OG-OD1 3.07Å; D1674-I1701 HydrophobicContact CB-CG1 4.33Å; D1674-I1701 HydrophobicContact CB-CG2 4.37Å; D1674-I1701 WeakPolarHBondContact OD1-CG2 3.12Å
1675	F	78.4	Confident	70.4	Confident	51.4 Å²	51.4	64.8 Å²	64.8	23%	0.225	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.6	171.3	177.3	-96.5	0	0	0	110.2	Y1662 Q1663 L1664 I1673 L1698 F1699 I1700	Y1662-F1675 AromaticContact CD2-CE2 3.88Å; Y1662-F1675 HydrophobicContact CD2-CE2 4.1Å; Y1662-F1675 HydrophobicContact CG-CE2 4.41Å; Q1663-F1675 CarbonylContact O-C 2.91Å; Q1663-F1675 VanDerWaalsContact O-CA 3.24Å; Q1663-F1675 WeakPolarHBondContact O-CA 3.29Å; Q1663-F1675 WeakPolarHBondContact O-CD2 3.17Å; Q1663-F1675 VanDerWaalsContact O-CG 3.3Å; Q1663-F1675 WeakPolarHBondContact O-CG 3.42Å; L1664-F1675 HydrophobicContact CB-CD2 4.28Å; L1664-F1675 HydrophobicContact CD1-CB 4.25Å; L1664-F1675 HydrophobicContact CD1-CD2 4.17Å; I1673-F1675 PolarHBondContact O-N 2.8Å; F1675-L1698 HydrophobicContact CE1-CD2 4.09Å; F1675-L1698 HydrophobicContact CE1-CG 4.33Å; F1675-F1699 CarbonylContact O-C 3.42Å; F1675-F1699 VanDerWaalsContact O-CA 3.27Å; F1675-F1699 WeakPolarHBondContact O-CA 3.31Å; F1675-I1700 HydrophobicContact CB-CB 4.22Å; F1675-I1700 WeakPolarHBondContact CB-O 3.21Å; F1675-I1700 HydrophobicContact CD1-CB 4.26Å; F1675-I1700 HydrophobicContact CD1-CD1 4.11Å; F1675-I1700 HydrophobicContact CD1-CG1 4.25Å; F1675-I1700 PolarHBondContact N-O 3.09Å; F1675-I1700 PolarHBondContact O-N 2.96Å
1676	I	79.7	Confident	70.5	Confident	40.2 Å²	40.2	66 Å²	66	21%	0.206	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.2	179.1	-53.2	-178.6	0	0	0	108.5	P1444 Y1662 Q1663 L1698 F1699	P1444-I1676 HydrophobicContact CG-CD1 4.05Å; Y1662-I1676 CarbonylContact C-O 3.47Å; Y1662-I1676 VanDerWaalsContact CA-O 3.28Å; Y1662-I1676 WeakPolarHBondContact CA-O 3.34Å; Y1662-I1676 WeakPolarHBondContact CB-O 3.48Å; Q1663-I1676 HydrophobicContact CB-CB 4.17Å; Q1663-I1676 HydrophobicContact CB-CG1 4.47Å; Q1663-I1676 PolarHBondContact N-O 2.93Å; Q1663-I1676 PolarHBondContact O-N 2.86Å; Q1663-I1676 VanDerWaalsContact O-N 3.07Å; I1676-L1698 CarbonylContact C-O 3.5Å; I1676-L1698 VanDerWaalsContact C-O 3.29Å; I1676-L1698 VanDerWaalsContact CA-O 3.29Å; I1676-L1698 WeakPolarHBondContact CA-O 3.37Å; I1676-F1699 HydrophobicContact CB-CD1 4.22Å; I1676-F1699 HydrophobicContact CB-CE1 4.48Å; I1676-F1699 HydrophobicContact CB-CG 4.45Å; I1676-F1699 HydrophobicContact CD1-CD1 4.05Å; I1676-F1699 HydrophobicContact CD1-CE1 4.23Å; I1676-F1699 HydrophobicContact CG1-CB 4.36Å; I1676-F1699 HydrophobicContact CG1-CD1 3.8Å; I1676-F1699 HydrophobicContact CG1-CE1 4.32Å; I1676-F1699 HydrophobicContact CG1-CG 4.38Å; I1676-F1699 HydrophobicContact CG2-CD1 3.68Å; I1676-F1699 HydrophobicContact CG2-CD2 4.46Å; I1676-F1699 HydrophobicContact CG2-CE1 3.55Å; I1676-F1699 VanDerWaalsContact CG2-CE1 3.42Å; I1676-F1699 HydrophobicContact CG2-CG 4Å; I1676-F1699 HydrophobicContact CG2-CZ 4.22Å
1677	S	80.5	Confident	71	Confident	10.4 Å²	10.4	70.1 Å²	70.1	7%	0.073	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129	175.8	171.4	0	0	0	0	111.6	M1660 E1661 E1697 L1698	M1660-S1677 WeakPolarHBondContact CE-OG 3.22Å; M1660-S1677 WeakPolarHBondContact CG-OG 3.44Å; E1661-S1677 CarbonylContact O-C 3.42Å; E1661-S1677 VanDerWaalsContact O-C 3.28Å; E1661-S1677 VanDerWaalsContact O-CA 3.28Å; E1661-S1677 WeakPolarHBondContact O-CA 3.36Å; E1661-S1677 VanDerWaalsContact O-CB 3.23Å; E1661-S1677 WeakPolarHBondContact O-CB 3Å; E1661-S1677 PolarHBondContact O-OG 2.9Å; S1677-E1697 CarbonylContact O-C 3.52Å; S1677-E1697 VanDerWaalsContact O-CA 3.29Å; S1677-E1697 WeakPolarHBondContact O-CA 3.35Å; S1677-L1698 CarbonylContact C-O 3.45Å; S1677-L1698 PolarHBondContact N-O 3Å; S1677-L1698 WeakPolarHBondContact O-CA 3.49Å; S1677-L1698 WeakPolarHBondContact O-CB 3.28Å; S1677-L1698 PolarHBondContact O-N 2.94Å; S1677-L1698 VanDerWaalsContact O-O 3.13Å
1678	R	82.9	Confident	71.5	Confident	115.8 Å²	115.8	68.8 Å²	68.8	44%	0.437	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.1	177.9	-64.2	-177.2	171.3	142.4	1.8	110.2	M1660 E1661 I1696 E1697	M1660-R1678 CarbonylContact C-O 3.5Å; M1660-R1678 VanDerWaalsContact CA-O 3.28Å; M1660-R1678 WeakPolarHBondContact CA-O 3.19Å; E1661-R1678 HydrophobicContact CB-CB 4.39Å; E1661-R1678 PolarHBondContact N-O 3.11Å; E1661-R1678 PolarHBondContact O-N 2.95Å; R1678-I1696 CarbonylContact C-O 3.42Å; R1678-I1696 VanDerWaalsContact C-O 3.28Å; R1678-I1696 WeakPolarHBondContact CA-O 3.37Å; R1678-E1697 HydrophobicContact CB-CG 4.33Å; R1678-E1697 WeakPolarHBondContact CD-OE1 3.14Å; R1678-E1697 HydrophobicContact CG-CB 4.11Å; R1678-E1697 HydrophobicContact CG-CG 4.13Å; R1678-E1697 IonicContact CZ-OE1 2.59Å; R1678-E1697 IonicContact NE-OE1 3.38Å; R1678-E1697 PolarHBondContact NE-OE1 2.88Å; R1678-E1697 IonicContact NE-OE2 2.71Å; R1678-E1697 IonicContact NH2-OE1 3.98Å; R1678-E1697 IonicContact NH2-OE2 2.69Å
1679	C	82.5	Confident	72	Confident	15.8 Å²	15.8	73.6 Å²	73.6	11%	0.107	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.5	-178.9	179.9	0	0	0	0	112.1	T1658 M1659 M1660 I1681 Q1695 I1696	T1658-C1679 VanDerWaalsContact CG2-SG 3.58Å; M1659-C1679 CarbonylContact O-C 3.51Å; M1659-C1679 VanDerWaalsContact O-CA 3.28Å; M1659-C1679 WeakPolarHBondContact O-CA 3.22Å; M1660-C1679 HydrophobicContact CB-CB 4.14Å; M1660-C1679 HydrophobicContact CG-CB 4.11Å; M1660-C1679 HydrophobicContact SD-CB 4.33Å; C1679-I1681 PolarHBondContact O-N 2.82Å; C1679-Q1695 CarbonylContact O-C 3.53Å; C1679-Q1695 WeakPolarHBondContact O-CA 3.37Å; C1679-I1696 HydrophobicContact CB-CB 4.13Å; C1679-I1696 HydrophobicContact CB-CD1 4.42Å; C1679-I1696 HydrophobicContact CB-CG1 4.42Å; C1679-I1696 PolarHBondContact N-O 3.05Å; C1679-I1696 WeakPolarHBondContact O-CB 3.35Å; C1679-I1696 WeakPolarHBondContact O-CG1 3.17Å; C1679-I1696 PolarHBondContact O-N 2.97Å
1680	L	81.9	Confident	72.8	Confident	66.8 Å²	66.8	68.5 Å²	68.5	35%	0.35	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.1	173.8	-77.7	166.3	0	0	0	110	T1658 M1659 G1682 Y1694 Q1695 P1718	T1658-L1680 CarbonylContact C-O 3.5Å; T1658-L1680 VanDerWaalsContact CA-O 3.28Å; T1658-L1680 WeakPolarHBondContact CA-O 3.43Å; M1659-L1680 HydrophobicContact CB-CB 4.23Å; M1659-L1680 HydrophobicContact CE-CB 3.99Å; M1659-L1680 HydrophobicContact CE-CD1 4.01Å; M1659-L1680 PolarHBondContact N-O 2.91Å; M1659-L1680 PolarHBondContact O-N 2.89Å; L1680-G1682 PolarHBondContact O-N 3.02Å; L1680-Y1694 CarbonylContact C-O 3.51Å; L1680-Y1694 WeakPolarHBondContact CA-O 3.43Å; L1680-Q1695 HydrophobicContact CD2-CB 3.66Å; L1680-Q1695 HydrophobicContact CD2-CG 3.73Å; L1680-Q1695 HydrophobicContact CG-CB 4.3Å; L1680-Q1695 HydrophobicContact CG-CG 4.13Å; L1680-P1718 HydrophobicContact CD2-CB 3.8Å; L1680-P1718 HydrophobicContact CD2-CG 3.66Å
1681	I	80.3	Confident	74	Confident	56 Å²	56	67.1 Å²	67.1	29%	0.287	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	105.1	176	-56.1	-179.1	0	0	0	108.8	N1657 T1658 C1679 G1693 Y1694 I1696	N1657-I1681 CarbonylContact O-C 3.47Å; N1657-I1681 VanDerWaalsContact O-CA 3.32Å; N1657-I1681 WeakPolarHBondContact O-CA 3.34Å; T1658-I1681 HydrophobicContact CG2-CB 4.41Å; T1658-I1681 HydrophobicContact CG2-CD1 4.28Å; T1658-I1681 HydrophobicContact CG2-CG1 3.98Å; T1658-I1681 HydrophobicContact CG2-CG2 4.19Å; C1679-I1681 PolarHBondContact O-N 2.82Å; I1681-G1693 CarbonylContact O-C 3.51Å; I1681-G1693 VanDerWaalsContact O-CA 3.23Å; I1681-G1693 WeakPolarHBondContact O-CA 3.33Å; I1681-Y1694 CarbonylContact C-O 3.48Å; I1681-Y1694 PolarHBondContact N-O 3.02Å; I1681-Y1694 PolarHBondContact O-N 3.04Å; I1681-I1696 HydrophobicContact CD1-CD1 3.75Å; I1681-I1696 HydrophobicContact CD1-CG1 4.46Å; I1681-I1696 HydrophobicContact CG1-CD1 4.41Å
1682	G	82.2	Confident	74.8	Confident	19 Å²	19	66.3 Å²	66.3	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.3	174.1	0	0	0	0	0	112	M1655 M1656 N1657 L1680 K1692	M1655-G1682 WeakPolarHBondContact CE-O 3.46Å; M1656-G1682 CarbonylContact C-O 3.48Å; M1656-G1682 WeakPolarHBondContact CA-O 3.29Å; N1657-G1682 PolarHBondContact N-O 2.84Å; N1657-G1682 PolarHBondContact O-N 3.07Å; L1680-G1682 PolarHBondContact O-N 3.02Å; G1682-K1692 CarbonylContact C-O 3.43Å; G1682-K1692 VanDerWaalsContact CA-O 3.32Å; G1682-K1692 WeakPolarHBondContact CA-O 3.34Å
1683	Y	81.2	Confident	75.5	Confident	39.2 Å²	39.2	66.1 Å²	66.1	15%	0.154	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.8	173.9	66.1	-86.1	0	0	0	112.4	Y1653 M1655 L1685 T1691 K1692 Y1694	Y1653-Y1683 AromaticContact CD1-CD2 3.77Å; Y1653-Y1683 HydrophobicContact CD1-CD2 3.77Å; Y1653-Y1683 HydrophobicContact CD1-CE2 4.46Å; Y1653-Y1683 HydrophobicContact CD1-CG 4.3Å; Y1653-Y1683 AromaticContact CE1-CD2 3.54Å; Y1653-Y1683 HydrophobicContact CE1-CD2 3.54Å; Y1653-Y1683 VanDerWaalsContact CE1-CD2 3.45Å; Y1653-Y1683 AromaticContact CE1-CE2 3.87Å; Y1653-Y1683 HydrophobicContact CE1-CE2 3.98Å; Y1653-Y1683 AromaticContact CE1-CG 3.98Å; Y1653-Y1683 HydrophobicContact CE1-CG 4.14Å; M1655-Y1683 CarbonylContact O-C 3.56Å; M1655-Y1683 WeakPolarHBondContact O-CA 3.34Å; M1655-Y1683 WeakPolarHBondContact O-CB 3.28Å; Y1683-L1685 HydrophobicContact CE2-CD2 4.5Å; Y1683-L1685 HydrophobicContact CE2-CG 4.43Å; Y1683-T1691 CarbonylContact O-C 3.55Å; Y1683-T1691 VanDerWaalsContact O-CA 3.28Å; Y1683-T1691 WeakPolarHBondContact O-CA 3.27Å; Y1683-K1692 CarbonylContact C-O 3.47Å; Y1683-K1692 WeakPolarHBondContact CA-O 3.45Å; Y1683-K1692 HydrophobicContact CD1-CB 4.37Å; Y1683-K1692 WeakPolarHBondContact CD1-O 3.07Å; Y1683-K1692 HydrophobicContact CD2-CB 4.33Å; Y1683-K1692 HydrophobicContact CE1-CB 3.85Å; Y1683-K1692 WeakPolarHBondContact CE1-O 3.34Å; Y1683-K1692 HydrophobicContact CE2-CB 3.8Å; Y1683-K1692 HydrophobicContact CE2-CD 4.05Å; Y1683-K1692 HydrophobicContact CE2-CG 4.34Å; Y1683-K1692 VanDerWaalsContact CZ-CB 3.47Å; Y1683-K1692 PolarHBondContact N-O 2.99Å; Y1683-K1692 PolarHBondContact O-N 3.25Å; Y1683-K1692 VanDerWaalsContact O-O 3.1Å; Y1683-K1692 WeakPolarHBondContact OH-CD 3.29Å; Y1683-Y1694 HydrophobicContact CD1-CE2 4.45Å; Y1683-Y1694 AromaticContact CE1-CD2 3.83Å; Y1683-Y1694 HydrophobicContact CE1-CD2 4.08Å; Y1683-Y1694 AromaticContact CE1-CE2 3.62Å; Y1683-Y1694 HydrophobicContact CE1-CE2 3.71Å; Y1683-Y1694 VanDerWaalsContact CE1-CE2 3.41Å; Y1683-Y1694 PolarHBondContact OH-OH 3.02Å
1684	R	79.8	Confident	76.1	Confident	66.2 Å²	66.2	68.8 Å²	68.8	25%	0.25	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.8	172.2	-169.8	-175.6	-65.3	156.9	4.4	109	D1643 Y1653 E1654 M1655 G1688 T1691	D1643-R1684 IonicContact OD1-NH1 2.72Å; Y1653-R1684 CarbonylContact C-O 3.53Å; Y1653-R1684 VanDerWaalsContact CA-O 3.25Å; Y1653-R1684 WeakPolarHBondContact CA-O 3.35Å; E1654-R1684 HydrophobicContact CB-CB 4.34Å; E1654-R1684 PolarHBondContact N-O 2.87Å; E1654-R1684 VanDerWaalsContact OE1-CD 3.29Å; E1654-R1684 WeakPolarHBondContact OE1-CD 3.35Å; E1654-R1684 IonicContact OE1-CZ 2.82Å; E1654-R1684 IonicContact OE1-NE 2.73Å; E1654-R1684 IonicContact OE1-NH1 2.99Å; E1654-R1684 PolarHBondContact OE1-NH1 3.14Å; E1654-R1684 VanDerWaalsContact OE2-CD 3.26Å; E1654-R1684 WeakPolarHBondContact OE2-CD 3.23Å; E1654-R1684 IonicContact OE2-CZ 2.75Å; E1654-R1684 IonicContact OE2-NE 3.7Å; E1654-R1684 IonicContact OE2-NH1 2.62Å; E1654-R1684 PolarHBondContact OE2-NH1 3.37Å; M1655-R1684 HydrophobicContact CB-CB 3.77Å; M1655-R1684 HydrophobicContact CE-CB 4.42Å; M1655-R1684 PolarHBondContact N-O 2.89Å; M1655-R1684 PolarHBondContact O-N 3.22Å; R1684-G1688 WeakPolarHBondContact CG-O 3.37Å; R1684-T1691 HydrophobicContact CB-CG2 4.36Å
1685	L	76	Confident	76.4	Confident	70 Å²	70	68.7 Å²	68.7	37%	0.366	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	150.4	173.2	-65.7	170.2	0	0	0	110.1	G1652 Y1653 Y1683 E1687 G1688	G1652-L1685 CarbonylContact O-C 3.23Å; G1652-L1685 VanDerWaalsContact O-CA 3.28Å; G1652-L1685 WeakPolarHBondContact O-CA 3.41Å; G1652-L1685 WeakPolarHBondContact O-CD2 3.42Å; Y1653-L1685 HydrophobicContact CD1-CD2 4Å; Y1653-L1685 HydrophobicContact CE1-CD2 3.72Å; Y1683-L1685 HydrophobicContact CE2-CD2 4.5Å; Y1683-L1685 HydrophobicContact CE2-CG 4.43Å; L1685-E1687 PolarHBondContact O-N 2.95Å; L1685-G1688 WeakPolarHBondContact O-CA 3.21Å; L1685-G1688 PolarHBondContact O-N 3.1Å
1686	Y	72.5	Confident	76.3	Confident	73.4 Å²	73.4	67.9 Å²	67.9	29%	0.288	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	129.7	174.9	-178.7	-108	0	0	0	111.2	Q1645 G1648 Y1649 G1652 G1688	Q1645-Y1686 HydrophobicContact CG-CE2 4.28Å; Q1645-Y1686 WeakPolarHBondContact O-CD2 3.47Å; Q1645-Y1686 WeakPolarHBondContact O-CE2 3.23Å; G1648-Y1686 VanDerWaalsContact C-CD2 3.42Å; G1648-Y1686 VanDerWaalsContact C-CG 3.47Å; G1648-Y1686 VanDerWaalsContact O-CB 3.26Å; G1648-Y1686 WeakPolarHBondContact O-CB 3.36Å; Y1649-Y1686 AromaticContact CD2-CE1 3.83Å; Y1649-Y1686 HydrophobicContact CD2-CE1 3.94Å; Y1649-Y1686 HydrophobicContact CD2-CE2 4.4Å; Y1649-Y1686 AromaticContact CD2-CZ 3.79Å; Y1649-Y1686 HydrophobicContact CG-CE1 4.49Å; Y1649-Y1686 VanDerWaalsContact N-CD2 3.29Å; G1652-Y1686 PolarHBondContact O-N 2.94Å; Y1686-G1688 PolarHBondContact O-N 2.89Å
1687	E	71.5	Confident	76.3	Confident	133 Å²	133	66.9 Å²	66.9	62%	0.621	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	7.8	-171.3	-62.9	179.5	177.1	0	0	114.8	L1685 R1689 L2139 S2140	L1685-E1687 PolarHBondContact O-N 2.95Å; E1687-R1689 PolarHBondContact O-N 3.01Å; E1687-L2139 VanDerWaalsContact CD-C 3.5Å; E1687-L2139 WeakPolarHBondContact OE2-CB 2.99Å; E1687-S2140 VanDerWaalsContact CD-CA 3.5Å; E1687-S2140 WeakPolarHBondContact OE1-CA 3.23Å; E1687-S2140 PolarHBondContact OE1-N 3.26Å; E1687-S2140 PolarHBondContact OE2-N 2.71Å; E1687-S2140 VanDerWaalsContact OE2-N 3.08Å
1688	G	64	Low	76.3	Confident	26.4 Å²	26.4	68.5 Å²	68.5	27%	0.272	34%	0.335	S	S	.	.			trans	-76.6	129.5	-178.3	0	0	0	0	0	112	R1684 L1685 Y1686 G1690	R1684-G1688 WeakPolarHBondContact CG-O 3.37Å; L1685-G1688 WeakPolarHBondContact O-CA 3.21Å; L1685-G1688 PolarHBondContact O-N 3.1Å; Y1686-G1688 PolarHBondContact O-N 2.89Å; G1688-G1690 PolarHBondContact O-N 2.98Å; G1688-G1690 VanDerWaalsContact O-N 3.14Å
1689	R	64.3	Low	76.1	Confident	251.8 Å²	251.8	64.8 Å²	64.8	95%	0.95	32%	0.323	S	S	*	.	S	Bend	trans	-73.7	121	171	-66.8	-171.7	179.5	-172	0.1	110.5	E1687	E1687-R1689 PolarHBondContact O-N 3.01Å
1690	G	68.8	Low	75.9	Confident	49.2 Å²	49.2	66.5 Å²	66.5	51%	0.507	33%	0.33	S	S	.	.	S	Bend	trans	88.8	153.7	173	0	0	0	0	0	114.6	G1688	G1688-G1690 PolarHBondContact O-N 2.98Å; G1688-G1690 VanDerWaalsContact O-N 3.14Å
1691	T	72.7	Confident	75.6	Confident	83.8 Å²	83.8	65.3 Å²	65.3	51%	0.514	32%	0.324	S	S	.	.			trans	-92.6	126	175.8	50	0	0	0	0	109.8	M1655 Y1683 R1684	M1655-T1691 HydrophobicContact CE-CG2 3.46Å; M1655-T1691 VanDerWaalsContact CE-CG2 3.46Å; M1655-T1691 HydrophobicContact SD-CG2 4.21Å; Y1683-T1691 CarbonylContact O-C 3.55Å; Y1683-T1691 VanDerWaalsContact O-CA 3.28Å; Y1683-T1691 WeakPolarHBondContact O-CA 3.27Å; R1684-T1691 HydrophobicContact CB-CG2 4.36Å
1692	K	74.3	Confident	75.2	Confident	122.4 Å²	122.4	67.2 Å²	67.2	53%	0.532	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	154.2	168.1	-67.6	179.6	-179.1	176.4	0	108.5	G1682 Y1683	G1682-K1692 CarbonylContact C-O 3.43Å; G1682-K1692 VanDerWaalsContact CA-O 3.32Å; G1682-K1692 WeakPolarHBondContact CA-O 3.34Å; Y1683-K1692 CarbonylContact C-O 3.47Å; Y1683-K1692 WeakPolarHBondContact CA-O 3.45Å; Y1683-K1692 HydrophobicContact CD1-CB 4.37Å; Y1683-K1692 WeakPolarHBondContact CD1-O 3.07Å; Y1683-K1692 HydrophobicContact CD2-CB 4.33Å; Y1683-K1692 HydrophobicContact CE1-CB 3.85Å; Y1683-K1692 WeakPolarHBondContact CE1-O 3.34Å; Y1683-K1692 HydrophobicContact CE2-CB 3.8Å; Y1683-K1692 HydrophobicContact CE2-CD 4.05Å; Y1683-K1692 HydrophobicContact CE2-CG 4.34Å; Y1683-K1692 VanDerWaalsContact CZ-CB 3.47Å; Y1683-K1692 PolarHBondContact N-O 2.99Å; Y1683-K1692 PolarHBondContact O-N 3.25Å; Y1683-K1692 VanDerWaalsContact O-O 3.1Å; Y1683-K1692 WeakPolarHBondContact OH-CD 3.29Å
1693	G	74.9	Confident	74.6	Confident	15.4 Å²	15.4	69.1 Å²	69.1	16%	0.159	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	168.4	175	0	0	0	0	0	114	I1681 P1718	I1681-G1693 CarbonylContact O-C 3.51Å; I1681-G1693 VanDerWaalsContact O-CA 3.23Å; I1681-G1693 WeakPolarHBondContact O-CA 3.33Å; G1693-P1718 VanDerWaalsContact C-CD 3.48Å; G1693-P1718 WeakPolarHBondContact O-CD 3.31Å
1694	Y	76.4	Confident	73.7	Confident	108.4 Å²	108.4	72.4 Å²	72.4	43%	0.425	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148	173	-59.5	-71.9	0	0	0	109.3	L1680 I1681 Y1683 I1715 G1716	L1680-Y1694 CarbonylContact C-O 3.51Å; L1680-Y1694 WeakPolarHBondContact CA-O 3.43Å; I1681-Y1694 CarbonylContact C-O 3.48Å; I1681-Y1694 PolarHBondContact N-O 3.02Å; I1681-Y1694 PolarHBondContact O-N 3.04Å; Y1683-Y1694 HydrophobicContact CD1-CE2 4.45Å; Y1683-Y1694 AromaticContact CE1-CD2 3.83Å; Y1683-Y1694 HydrophobicContact CE1-CD2 4.08Å; Y1683-Y1694 AromaticContact CE1-CE2 3.62Å; Y1683-Y1694 HydrophobicContact CE1-CE2 3.71Å; Y1683-Y1694 VanDerWaalsContact CE1-CE2 3.41Å; Y1683-Y1694 PolarHBondContact OH-OH 3.02Å; Y1694-I1715 HydrophobicContact CG-CG2 4.35Å; Y1694-G1716 CarbonylContact C-O 3.37Å; Y1694-G1716 WeakPolarHBondContact CA-O 3.32Å
1695	Q	79	Confident	72.8	Confident	27.8 Å²	27.8	74.1 Å²	74.1	13%	0.13	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.4	170.8	-176.7	174.2	-20.2	0	0	107.3	C1679 L1680 E1697 I1715 G1716 P1718 I1721	C1679-Q1695 CarbonylContact O-C 3.53Å; C1679-Q1695 WeakPolarHBondContact O-CA 3.37Å; L1680-Q1695 HydrophobicContact CD2-CB 3.66Å; L1680-Q1695 HydrophobicContact CD2-CG 3.73Å; L1680-Q1695 HydrophobicContact CG-CB 4.3Å; L1680-Q1695 HydrophobicContact CG-CG 4.13Å; Q1695-E1697 HydrophobicContact CG-CG 4.31Å; Q1695-E1697 PolarHBondContact NE2-OE1 2.94Å; Q1695-I1715 CarbonylContact O-C 3.32Å; Q1695-I1715 VanDerWaalsContact O-CA 3.25Å; Q1695-I1715 WeakPolarHBondContact O-CA 3.34Å; Q1695-G1716 WeakPolarHBondContact CA-O 2.79Å; Q1695-G1716 VanDerWaalsContact CB-O 3.31Å; Q1695-G1716 WeakPolarHBondContact CB-O 3.49Å; Q1695-G1716 PolarHBondContact N-O 3.07Å; Q1695-G1716 PolarHBondContact O-N 2.91Å; Q1695-P1718 HydrophobicContact CB-CB 4.27Å; Q1695-I1721 HydrophobicContact CB-CD1 3.7Å; Q1695-I1721 HydrophobicContact CB-CG1 4.09Å; Q1695-I1721 VanDerWaalsContact CD-CD1 3.42Å; Q1695-I1721 HydrophobicContact CG-CD1 3.42Å; Q1695-I1721 VanDerWaalsContact CG-CD1 3.44Å; Q1695-I1721 HydrophobicContact CG-CG1 4.2Å; Q1695-I1721 WeakPolarHBondContact O-CD1 3.45Å; Q1695-I1721 VanDerWaalsContact OE1-CD1 3.3Å; Q1695-I1721 VanDerWaalsContact OE1-CG1 3.3Å
1696	I	77.1	Confident	71.9	Confident	35 Å²	35	75.3 Å²	75.3	18%	0.179	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.1	178.8	-55.1	179.5	0	0	0	107.1	R1678 C1679 I1681 F1713 K1714 I1715	R1678-I1696 CarbonylContact C-O 3.42Å; R1678-I1696 VanDerWaalsContact C-O 3.28Å; R1678-I1696 WeakPolarHBondContact CA-O 3.37Å; C1679-I1696 HydrophobicContact CB-CB 4.13Å; C1679-I1696 HydrophobicContact CB-CD1 4.42Å; C1679-I1696 HydrophobicContact CB-CG1 4.42Å; C1679-I1696 PolarHBondContact N-O 3.05Å; C1679-I1696 WeakPolarHBondContact O-CB 3.35Å; C1679-I1696 WeakPolarHBondContact O-CG1 3.17Å; C1679-I1696 PolarHBondContact O-N 2.97Å; I1681-I1696 HydrophobicContact CD1-CD1 3.75Å; I1681-I1696 HydrophobicContact CD1-CG1 4.46Å; I1681-I1696 HydrophobicContact CG1-CD1 4.41Å; I1696-F1713 HydrophobicContact CG2-CD2 4.16Å; I1696-F1713 HydrophobicContact CG2-CE2 3.34Å; I1696-F1713 VanDerWaalsContact CG2-CE2 3.43Å; I1696-F1713 HydrophobicContact CG2-CZ 3.79Å; I1696-K1714 CarbonylContact C-O 3.54Å; I1696-K1714 VanDerWaalsContact CA-O 3.28Å; I1696-K1714 WeakPolarHBondContact CA-O 3.18Å; I1696-K1714 VanDerWaalsContact CG2-O 3.3Å; I1696-K1714 WeakPolarHBondContact CG2-O 3.25Å; I1696-I1715 HydrophobicContact CD1-CD1 4.5Å; I1696-I1715 HydrophobicContact CG1-CB 4.43Å; I1696-I1715 HydrophobicContact CG1-CD1 4.49Å; I1696-I1715 HydrophobicContact CG1-CG1 4.14Å; I1696-I1715 HydrophobicContact CG1-CG2 4.33Å; I1696-I1715 HydrophobicContact CG2-CG1 4.3Å
1697	E	80.3	Confident	71.3	Confident	18.8 Å²	18.8	80.5 Å²	80.5	9%	0.088	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127	172.9	-51.9	-168.5	151.9	0	0	110	S1677 R1678 Q1695 F1699 F1713 K1714 I1721	S1677-E1697 CarbonylContact O-C 3.52Å; S1677-E1697 VanDerWaalsContact O-CA 3.29Å; S1677-E1697 WeakPolarHBondContact O-CA 3.35Å; R1678-E1697 HydrophobicContact CB-CG 4.33Å; R1678-E1697 WeakPolarHBondContact CD-OE1 3.14Å; R1678-E1697 HydrophobicContact CG-CB 4.11Å; R1678-E1697 HydrophobicContact CG-CG 4.13Å; R1678-E1697 IonicContact CZ-OE1 2.59Å; R1678-E1697 IonicContact NE-OE1 3.38Å; R1678-E1697 PolarHBondContact NE-OE1 2.88Å; R1678-E1697 IonicContact NE-OE2 2.71Å; R1678-E1697 IonicContact NH2-OE1 3.98Å; R1678-E1697 IonicContact NH2-OE2 2.69Å; Q1695-E1697 HydrophobicContact CG-CG 4.31Å; Q1695-E1697 PolarHBondContact NE2-OE1 2.94Å; E1697-F1699 HydrophobicContact CB-CD2 4.41Å; E1697-F1699 HydrophobicContact CB-CE2 3.64Å; E1697-F1699 HydrophobicContact CB-CZ 4.21Å; E1697-F1699 HydrophobicContact CG-CE2 4.46Å; E1697-F1699 WeakPolarHBondContact O-CD2 3.38Å; E1697-F1713 CarbonylContact O-C 3.5Å; E1697-F1713 VanDerWaalsContact O-CA 3.27Å; E1697-F1713 WeakPolarHBondContact O-CA 3.35Å; E1697-F1713 WeakPolarHBondContact O-CD2 3.31Å; E1697-K1714 HydrophobicContact CB-CB 4.15Å; E1697-K1714 HydrophobicContact CB-CD 4.41Å; E1697-K1714 HydrophobicContact CB-CG 4.16Å; E1697-K1714 HydrophobicContact CG-CB 4.2Å; E1697-K1714 PolarHBondContact N-O 2.93Å; E1697-K1714 PolarHBondContact O-N 3.12Å; E1697-I1721 HydrophobicContact CB-CD1 4.34Å; E1697-I1721 HydrophobicContact CG-CD1 3.72Å
1698	L	80.2	Confident	71	Confident	44.4 Å²	44.4	75.2 Å²	75.2	23%	0.232	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.5	174.1	177.9	63.5	0	0	0	108.7	F1675 I1676 S1677 I1700 I1711 L1712 F1713	F1675-L1698 HydrophobicContact CE1-CD2 4.09Å; F1675-L1698 HydrophobicContact CE1-CG 4.33Å; I1676-L1698 CarbonylContact C-O 3.5Å; I1676-L1698 VanDerWaalsContact C-O 3.29Å; I1676-L1698 VanDerWaalsContact CA-O 3.29Å; I1676-L1698 WeakPolarHBondContact CA-O 3.37Å; S1677-L1698 CarbonylContact C-O 3.45Å; S1677-L1698 PolarHBondContact N-O 3Å; S1677-L1698 WeakPolarHBondContact O-CA 3.49Å; S1677-L1698 WeakPolarHBondContact O-CB 3.28Å; S1677-L1698 PolarHBondContact O-N 2.94Å; S1677-L1698 VanDerWaalsContact O-O 3.13Å; L1698-I1700 HydrophobicContact CD1-CD1 4.4Å; L1698-I1700 HydrophobicContact CD1-CG1 4.09Å; L1698-I1700 HydrophobicContact CD2-CD1 4.22Å; L1698-I1700 HydrophobicContact CD2-CG1 4.46Å; L1698-I1700 HydrophobicContact CG-CD1 4.37Å; L1698-I1700 HydrophobicContact CG-CG1 4.19Å; L1698-I1711 HydrophobicContact CD1-CG2 3.98Å; L1698-L1712 CarbonylContact C-O 3.51Å; L1698-L1712 VanDerWaalsContact CA-O 3.23Å; L1698-L1712 WeakPolarHBondContact CA-O 3.25Å; L1698-F1713 HydrophobicContact CB-CD2 4.24Å; L1698-F1713 HydrophobicContact CD1-CB 4.18Å; L1698-F1713 HydrophobicContact CD1-CD2 4.12Å
1699	F	78.6	Confident	71.3	Confident	38 Å²	38	76.2 Å²	76.2	17%	0.167	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.1	172.1	-52.7	-104.7	0	0	0	107	F1675 I1676 E1697 D1710 I1711 L1712	F1675-F1699 CarbonylContact O-C 3.42Å; F1675-F1699 VanDerWaalsContact O-CA 3.27Å; F1675-F1699 WeakPolarHBondContact O-CA 3.31Å; I1676-F1699 HydrophobicContact CB-CD1 4.22Å; I1676-F1699 HydrophobicContact CB-CE1 4.48Å; I1676-F1699 HydrophobicContact CB-CG 4.45Å; I1676-F1699 HydrophobicContact CD1-CD1 4.05Å; I1676-F1699 HydrophobicContact CD1-CE1 4.23Å; I1676-F1699 HydrophobicContact CG1-CB 4.36Å; I1676-F1699 HydrophobicContact CG1-CD1 3.8Å; I1676-F1699 HydrophobicContact CG1-CE1 4.32Å; I1676-F1699 HydrophobicContact CG1-CG 4.38Å; I1676-F1699 HydrophobicContact CG2-CD1 3.68Å; I1676-F1699 HydrophobicContact CG2-CD2 4.46Å; I1676-F1699 HydrophobicContact CG2-CE1 3.55Å; I1676-F1699 VanDerWaalsContact CG2-CE1 3.42Å; I1676-F1699 HydrophobicContact CG2-CG 4Å; I1676-F1699 HydrophobicContact CG2-CZ 4.22Å; E1697-F1699 HydrophobicContact CB-CD2 4.41Å; E1697-F1699 HydrophobicContact CB-CE2 3.64Å; E1697-F1699 HydrophobicContact CB-CZ 4.21Å; E1697-F1699 HydrophobicContact CG-CE2 4.46Å; E1697-F1699 WeakPolarHBondContact O-CD2 3.38Å; F1699-D1710 CarbonylContact C-O 3.54Å; F1699-I1711 CarbonylContact O-C 3.55Å; F1699-I1711 WeakPolarHBondContact O-CA 3.28Å; F1699-L1712 HydrophobicContact CB-CB 4.14Å; F1699-L1712 HydrophobicContact CD2-CB 4.17Å; F1699-L1712 HydrophobicContact CD2-CD2 3.88Å; F1699-L1712 HydrophobicContact CD2-CG 4.08Å; F1699-L1712 WeakPolarHBondContact CD2-O 3.44Å; F1699-L1712 HydrophobicContact CE2-CD2 4.22Å; F1699-L1712 HydrophobicContact CE2-CG 4.07Å; F1699-L1712 HydrophobicContact CG-CB 4.05Å; F1699-L1712 HydrophobicContact CG-CD2 4.32Å; F1699-L1712 HydrophobicContact CG-CG 4.44Å; F1699-L1712 HydrophobicContact CZ-CD2 4.25Å; F1699-L1712 PolarHBondContact N-O 2.82Å; F1699-L1712 PolarHBondContact O-N 2.86Å
1700	I	77.2	Confident	71.6	Confident	51.8 Å²	51.8	65.6 Å²	65.6	27%	0.266	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	110.2	173.9	-55.6	176.2	0	0	0	106.8	F1675 L1698 L1709 D1710 I1711	F1675-I1700 HydrophobicContact CB-CB 4.22Å; F1675-I1700 WeakPolarHBondContact CB-O 3.21Å; F1675-I1700 HydrophobicContact CD1-CB 4.26Å; F1675-I1700 HydrophobicContact CD1-CD1 4.11Å; F1675-I1700 HydrophobicContact CD1-CG1 4.25Å; F1675-I1700 PolarHBondContact N-O 3.09Å; F1675-I1700 PolarHBondContact O-N 2.96Å; L1698-I1700 HydrophobicContact CD1-CD1 4.4Å; L1698-I1700 HydrophobicContact CD1-CG1 4.09Å; L1698-I1700 HydrophobicContact CD2-CD1 4.22Å; L1698-I1700 HydrophobicContact CD2-CG1 4.46Å; L1698-I1700 HydrophobicContact CG-CD1 4.37Å; L1698-I1700 HydrophobicContact CG-CG1 4.19Å; I1700-L1709 HydrophobicContact CG2-CD1 4.2Å; I1700-L1709 HydrophobicContact CG2-CD2 4.45Å; I1700-L1709 HydrophobicContact CG2-CG 4.13Å; I1700-D1710 CarbonylContact C-O 3.38Å; I1700-D1710 WeakPolarHBondContact CA-O 3.31Å; I1700-I1711 HydrophobicContact CB-CG1 4.49Å; I1700-I1711 HydrophobicContact CG1-CB 4.44Å; I1700-I1711 HydrophobicContact CG1-CG1 4.29Å; I1700-I1711 HydrophobicContact CG1-CG2 4.22Å; I1700-I1711 HydrophobicContact CG2-CG1 4.26Å
1701	I	75.6	Confident	71.7	Confident	41.2 Å²	41.2	65.2 Å²	65.2	21%	0.211	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.5	-179.5	-57.3	174	0	0	0	108.6	I1673 D1674 Y1703 L1709 D1710	I1673-I1701 WeakPolarHBondContact O-CA 3.32Å; D1674-I1701 HydrophobicContact CB-CG1 4.33Å; D1674-I1701 HydrophobicContact CB-CG2 4.37Å; D1674-I1701 WeakPolarHBondContact OD1-CG2 3.12Å; I1701-Y1703 HydrophobicContact CB-CE2 4.37Å; I1701-Y1703 HydrophobicContact CG2-CD1 4.45Å; I1701-Y1703 HydrophobicContact CG2-CD2 4.11Å; I1701-Y1703 HydrophobicContact CG2-CE1 4.09Å; I1701-Y1703 HydrophobicContact CG2-CE2 3.58Å; I1701-Y1703 VanDerWaalsContact CG2-CE2 3.48Å; I1701-Y1703 VanDerWaalsContact CG2-CZ 3.5Å; I1701-L1709 CarbonylContact O-C 3.49Å; I1701-L1709 VanDerWaalsContact O-CA 3.26Å; I1701-L1709 WeakPolarHBondContact O-CA 3.29Å; I1701-D1710 HydrophobicContact CB-CB 4.33Å; I1701-D1710 PolarHBondContact N-O 2.97Å; I1701-D1710 PolarHBondContact O-N 2.94Å
1702	Q	73.1	Confident	71.8	Confident	95.2 Å²	95.2	63.2 Å²	63.2	45%	0.445	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	111.9	176.5	-173.8	-175.7	1.6	0	0	110.7	S1672 I1673 Q1704 Q1708 L1709	S1672-Q1702 CarbonylContact C-O 3.48Å; S1672-Q1702 WeakPolarHBondContact CA-O 3.38Å; I1673-Q1702 HydrophobicContact CB-CB 4.41Å; I1673-Q1702 PolarHBondContact N-O 2.84Å; I1673-Q1702 PolarHBondContact O-N 2.98Å; I1673-Q1702 VanDerWaalsContact O-N 3.08Å; Q1702-Q1704 PolarHBondContact O-N 2.89Å; Q1702-Q1708 CarbonylContact C-O 3.57Å; Q1702-Q1708 WeakPolarHBondContact CA-O 3.36Å; Q1702-Q1708 WeakPolarHBondContact CG-O 3.12Å; Q1702-L1709 HydrophobicContact CB-CD1 4.16Å; Q1702-L1709 HydrophobicContact CG-CB 4.49Å; Q1702-L1709 HydrophobicContact CG-CD1 4.16Å
1703	Y	69.5	Low	71.9	Confident	60.6 Å²	60.6	60.5 Å²	60.5	24%	0.238	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	114.9	176.6	-57.4	-93	0	0	0	110.8	N1441 L1442 K1671 I1701 N1705 N1706 Y1707 Q1708 D1710	N1441-Y1703 HydrophobicContact CB-CE1 4.27Å; N1441-Y1703 HydrophobicContact CB-CE2 4.35Å; N1441-Y1703 VanDerWaalsContact ND2-CD1 3.35Å; N1441-Y1703 WeakPolarHBondContact ND2-CD1 3.43Å; N1441-Y1703 WeakPolarHBondContact ND2-CE1 3.02Å; N1441-Y1703 WeakPolarHBondContact ND2-CE2 3.16Å; N1441-Y1703 WeakPolarHBondContact OD1-CE1 3.18Å; L1442-Y1703 PolarHBondContact N-OH 2.77Å; L1442-Y1703 PolarHBondContact O-OH 3.37Å; K1671-Y1703 CarbonylContact O-C 3.43Å; K1671-Y1703 VanDerWaalsContact O-CA 3.26Å; K1671-Y1703 WeakPolarHBondContact O-CA 3.22Å; I1701-Y1703 HydrophobicContact CB-CE2 4.37Å; I1701-Y1703 HydrophobicContact CG2-CD1 4.45Å; I1701-Y1703 HydrophobicContact CG2-CD2 4.11Å; I1701-Y1703 HydrophobicContact CG2-CE1 4.09Å; I1701-Y1703 HydrophobicContact CG2-CE2 3.58Å; I1701-Y1703 VanDerWaalsContact CG2-CE2 3.48Å; I1701-Y1703 VanDerWaalsContact CG2-CZ 3.5Å; Y1703-N1705 VanDerWaalsContact C-N 3.31Å; Y1703-N1705 PolarHBondContact O-N 2.94Å; Y1703-N1706 PolarHBondContact O-N 3.11Å; Y1703-Y1707 PolarHBondContact O-N 2.98Å; Y1703-Y1707 VanDerWaalsContact O-N 3.14Å; Y1703-Q1708 HydrophobicContact CD2-CB 3.75Å; Y1703-Q1708 VanDerWaalsContact CD2-CD 3.46Å; Y1703-Q1708 HydrophobicContact CD2-CG 3.73Å; Y1703-Q1708 VanDerWaalsContact CD2-CG 3.49Å; Y1703-Q1708 HydrophobicContact CE2-CB 4.4Å; Y1703-Q1708 VanDerWaalsContact CE2-CD 3.46Å; Y1703-Q1708 HydrophobicContact CE2-CG 4.14Å; Y1703-Q1708 HydrophobicContact CG-CB 4.32Å; Y1703-Q1708 HydrophobicContact CG-CG 4.43Å; Y1703-Q1708 PolarHBondContact N-O 2.99Å; Y1703-Q1708 PolarHBondContact O-N 2.87Å; Y1703-D1710 WeakPolarHBondContact CE2-OD2 3.35Å
1704	Q	62.6	Low	71.9	Confident	108 Å²	108	61.3 Å²	61.3	51%	0.505	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-36.1	-176.4	-68.6	-176.3	-12.2	0	0	113.1	K1671 I1673 Q1702	K1671-Q1704 PolarHBondContact O-N 2.88Å; I1673-Q1704 HydrophobicContact CD1-CG 4.2Å; I1673-Q1704 HydrophobicContact CG1-CG 4.28Å; Q1702-Q1704 PolarHBondContact O-N 2.89Å
1705	N	60.4	Low	71.7	Confident	102.2 Å²	102.2	58.5 Å²	58.5	55%	0.547	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-22.1	-174.6	-71.2	26.7	0	0	0	114.3	K1671 Y1703	K1671-N1705 HydrophobicContact CB-CB 4.28Å; K1671-N1705 HydrophobicContact CD-CB 4.31Å; K1671-N1705 HydrophobicContact CG-CB 4.48Å; Y1703-N1705 VanDerWaalsContact C-N 3.31Å; Y1703-N1705 PolarHBondContact O-N 2.94Å
1706	N	56.6	Low	71.2	Confident	93.6 Å²	93.6	57.4 Å²	57.4	50%	0.501	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	1.3	-170.8	-66.1	8.5	0	0	0	113.1	Y1703 Q1708	Y1703-N1706 PolarHBondContact O-N 3.11Å; N1706-Q1708 HydrophobicContact CB-CB 4.2Å; N1706-Q1708 PolarHBondContact O-N 2.88Å
1707	Y	60.2	Low	70.7	Confident	184.4 Å²	184.4	61.7 Å²	61.7	72%	0.723	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	38.6	-170.8	-62.3	-81.4	0	0	0	112.5	Y1703 Q1733 T1734	Y1703-Y1707 PolarHBondContact O-N 2.98Å; Y1703-Y1707 VanDerWaalsContact O-N 3.14Å; Y1707-Q1733 WeakPolarHBondContact O-CA 3.22Å; Y1707-T1734 HydrophobicContact CD2-CG2 4.17Å; Y1707-T1734 HydrophobicContact CG-CG2 4.21Å; Y1707-T1734 PolarHBondContact O-N 2.9Å
1708	Q	65.6	Low	70.1	Confident	21.2 Å²	21.2	63.5 Å²	63.5	10%	0.099	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.9	-178.2	179.6	176.6	-13.7	0	0	110.2	N1441 Q1702 Y1703 N1706 D1710 L1731 L1732 Q1733	N1441-Q1708 PolarHBondContact ND2-OE1 2.79Å; Q1702-Q1708 CarbonylContact C-O 3.57Å; Q1702-Q1708 WeakPolarHBondContact CA-O 3.36Å; Q1702-Q1708 WeakPolarHBondContact CG-O 3.12Å; Y1703-Q1708 HydrophobicContact CD2-CB 3.75Å; Y1703-Q1708 VanDerWaalsContact CD2-CD 3.46Å; Y1703-Q1708 HydrophobicContact CD2-CG 3.73Å; Y1703-Q1708 VanDerWaalsContact CD2-CG 3.49Å; Y1703-Q1708 HydrophobicContact CE2-CB 4.4Å; Y1703-Q1708 VanDerWaalsContact CE2-CD 3.46Å; Y1703-Q1708 HydrophobicContact CE2-CG 4.14Å; Y1703-Q1708 HydrophobicContact CG-CB 4.32Å; Y1703-Q1708 HydrophobicContact CG-CG 4.43Å; Y1703-Q1708 PolarHBondContact N-O 2.99Å; Y1703-Q1708 PolarHBondContact O-N 2.87Å; N1706-Q1708 HydrophobicContact CB-CB 4.2Å; N1706-Q1708 PolarHBondContact O-N 2.88Å; Q1708-D1710 WeakPolarHBondContact CG-OD1 3.37Å; Q1708-D1710 VanDerWaalsContact NE2-CG 3.28Å; Q1708-D1710 PolarHBondContact NE2-OD1 2.99Å; Q1708-D1710 PolarHBondContact NE2-OD2 3.14Å; Q1708-D1710 VanDerWaalsContact NE2-OD2 3.11Å; Q1708-L1731 HydrophobicContact CG-CD2 4.45Å; Q1708-L1731 HydrophobicContact CG-CG 4.29Å; Q1708-L1731 VanDerWaalsContact NE2-CD1 3.28Å; Q1708-L1732 CarbonylContact C-O 3.45Å; Q1708-L1732 VanDerWaalsContact C-O 3.31Å; Q1708-L1732 VanDerWaalsContact CA-O 3.24Å; Q1708-L1732 WeakPolarHBondContact CA-O 3.26Å; Q1708-Q1733 HydrophobicContact CB-CB 4.43Å; Q1708-Q1733 HydrophobicContact CB-CG 3.87Å; Q1708-Q1733 VanDerWaalsContact CD-NE2 3.34Å; Q1708-Q1733 HydrophobicContact CG-CG 3.81Å; Q1708-Q1733 VanDerWaalsContact CG-CG 3.44Å
1709	L	70.1	Confident	69.4	Low	47.6 Å²	47.6	64.7 Å²	64.7	25%	0.249	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	114	175.5	-178.1	117.8	0	0	0	110.1	I1700 I1701 Q1702 I1711 L1731 L1732	I1700-L1709 HydrophobicContact CG2-CD1 4.2Å; I1700-L1709 HydrophobicContact CG2-CD2 4.45Å; I1700-L1709 HydrophobicContact CG2-CG 4.13Å; I1701-L1709 CarbonylContact O-C 3.49Å; I1701-L1709 VanDerWaalsContact O-CA 3.26Å; I1701-L1709 WeakPolarHBondContact O-CA 3.29Å; Q1702-L1709 HydrophobicContact CB-CD1 4.16Å; Q1702-L1709 HydrophobicContact CG-CB 4.49Å; Q1702-L1709 HydrophobicContact CG-CD1 4.16Å; L1709-I1711 HydrophobicContact CD2-CD1 3.74Å; L1709-I1711 HydrophobicContact CD2-CG1 3.78Å; L1709-I1711 HydrophobicContact CG-CG1 4.41Å; L1709-L1731 CarbonylContact O-C 3.46Å; L1709-L1731 VanDerWaalsContact O-CA 3.31Å; L1709-L1731 WeakPolarHBondContact O-CA 3.41Å; L1709-L1732 HydrophobicContact CB-CB 4.34Å; L1709-L1732 HydrophobicContact CB-CD1 4.43Å; L1709-L1732 HydrophobicContact CD2-CD1 4.11Å; L1709-L1732 PolarHBondContact N-O 2.98Å; L1709-L1732 VanDerWaalsContact N-O 3.09Å; L1709-L1732 PolarHBondContact O-N 3.03Å
1710	D	70	Confident	68.6	Low	28.6 Å²	28.6	66.3 Å²	66.3	15%	0.153	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.4	-178.8	-61.6	-9.7	0	0	0	110.5	F1699 I1700 I1701 Y1703 Q1708 H1730 L1731	F1699-D1710 CarbonylContact C-O 3.54Å; I1700-D1710 CarbonylContact C-O 3.38Å; I1700-D1710 WeakPolarHBondContact CA-O 3.31Å; I1701-D1710 HydrophobicContact CB-CB 4.33Å; I1701-D1710 PolarHBondContact N-O 2.97Å; I1701-D1710 PolarHBondContact O-N 2.94Å; Y1703-D1710 WeakPolarHBondContact CE2-OD2 3.35Å; Q1708-D1710 WeakPolarHBondContact CG-OD1 3.37Å; Q1708-D1710 VanDerWaalsContact NE2-CG 3.28Å; Q1708-D1710 PolarHBondContact NE2-OD1 2.99Å; Q1708-D1710 PolarHBondContact NE2-OD2 3.14Å; Q1708-D1710 VanDerWaalsContact NE2-OD2 3.11Å; D1710-H1730 CarbonylContact C-O 3.41Å; D1710-H1730 WeakPolarHBondContact CA-O 3.3Å; D1710-L1731 HydrophobicContact CB-CB 4.39Å; D1710-L1731 VanDerWaalsContact OD1-CB 3.31Å; D1710-L1731 WeakPolarHBondContact OD1-CB 3.31Å; D1710-L1731 VanDerWaalsContact OD1-CD1 3.3Å; D1710-L1731 WeakPolarHBondContact OD1-CD1 3.31Å; D1710-L1731 WeakPolarHBondContact OD1-CG 3.29Å
1711	I	71.1	Confident	67.6	Low	40.8 Å²	40.8	64.8 Å²	64.8	21%	0.209	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	108.6	175.7	-54.8	170.5	0	0	0	109.4	L1698 F1699 I1700 L1709 Y1728 N1729 H1730	L1698-I1711 HydrophobicContact CD1-CG2 3.98Å; F1699-I1711 CarbonylContact O-C 3.55Å; F1699-I1711 WeakPolarHBondContact O-CA 3.28Å; I1700-I1711 HydrophobicContact CB-CG1 4.49Å; I1700-I1711 HydrophobicContact CG1-CB 4.44Å; I1700-I1711 HydrophobicContact CG1-CG1 4.29Å; I1700-I1711 HydrophobicContact CG1-CG2 4.22Å; I1700-I1711 HydrophobicContact CG2-CG1 4.26Å; L1709-I1711 HydrophobicContact CD2-CD1 3.74Å; L1709-I1711 HydrophobicContact CD2-CG1 3.78Å; L1709-I1711 HydrophobicContact CG-CG1 4.41Å; I1711-Y1728 HydrophobicContact CB-CE1 4.47Å; I1711-Y1728 HydrophobicContact CG2-CD1 4.44Å; I1711-Y1728 HydrophobicContact CG2-CE1 4.22Å; I1711-N1729 CarbonylContact O-C 3.47Å; I1711-N1729 VanDerWaalsContact O-C 3.29Å; I1711-N1729 VanDerWaalsContact O-CA 3.29Å; I1711-N1729 WeakPolarHBondContact O-CA 3.14Å; I1711-N1729 PolarHBondContact O-OD1 3.34Å; I1711-H1730 HydrophobicContact CB-CB 4.3Å; I1711-H1730 PolarHBondContact N-O 3.07Å; I1711-H1730 PolarHBondContact O-N 3.04Å
1712	L	75.8	Confident	66.9	Low	42.6 Å²	42.6	69.5 Å²	69.5	22%	0.223	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.1	172.7	176	68.3	0	0	0	109.8	L1698 F1699 K1714 E1727 Y1728 N1729	L1698-L1712 CarbonylContact C-O 3.51Å; L1698-L1712 VanDerWaalsContact CA-O 3.23Å; L1698-L1712 WeakPolarHBondContact CA-O 3.25Å; F1699-L1712 HydrophobicContact CB-CB 4.14Å; F1699-L1712 HydrophobicContact CD2-CB 4.17Å; F1699-L1712 HydrophobicContact CD2-CD2 3.88Å; F1699-L1712 HydrophobicContact CD2-CG 4.08Å; F1699-L1712 WeakPolarHBondContact CD2-O 3.44Å; F1699-L1712 HydrophobicContact CE2-CD2 4.22Å; F1699-L1712 HydrophobicContact CE2-CG 4.07Å; F1699-L1712 HydrophobicContact CG-CB 4.05Å; F1699-L1712 HydrophobicContact CG-CD2 4.32Å; F1699-L1712 HydrophobicContact CG-CG 4.44Å; F1699-L1712 HydrophobicContact CZ-CD2 4.25Å; F1699-L1712 PolarHBondContact N-O 2.82Å; F1699-L1712 PolarHBondContact O-N 2.86Å; L1712-K1714 HydrophobicContact CD1-CG 4.26Å; L1712-K1714 VanDerWaalsContact CD2-CE 3.42Å; L1712-K1714 HydrophobicContact CG-CG 4.36Å; L1712-E1727 HydrophobicContact CD1-CG 3.99Å; L1712-Y1728 CarbonylContact C-O 3.52Å; L1712-Y1728 VanDerWaalsContact CA-O 3.28Å; L1712-Y1728 WeakPolarHBondContact CA-O 3.31Å; L1712-N1729 WeakPolarHBondContact CA-OD1 3.38Å; L1712-N1729 WeakPolarHBondContact CB-OD1 3.15Å; L1712-N1729 HydrophobicContact CD1-CB 3.89Å; L1712-N1729 WeakPolarHBondContact CD1-OD1 3.33Å
1713	F	74.6	Confident	66.1	Low	65 Å²	65	68.6 Å²	68.6	29%	0.285	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.5	177.3	176.7	-102	0	0	0	110.8	I1696 E1697 L1698 I1715 E1727 Y1728	I1696-F1713 HydrophobicContact CG2-CD2 4.16Å; I1696-F1713 HydrophobicContact CG2-CE2 3.34Å; I1696-F1713 VanDerWaalsContact CG2-CE2 3.43Å; I1696-F1713 HydrophobicContact CG2-CZ 3.79Å; E1697-F1713 CarbonylContact O-C 3.5Å; E1697-F1713 VanDerWaalsContact O-CA 3.27Å; E1697-F1713 WeakPolarHBondContact O-CA 3.35Å; E1697-F1713 WeakPolarHBondContact O-CD2 3.31Å; L1698-F1713 HydrophobicContact CB-CD2 4.24Å; L1698-F1713 HydrophobicContact CD1-CB 4.18Å; L1698-F1713 HydrophobicContact CD1-CD2 4.12Å; F1713-I1715 HydrophobicContact CD1-CD1 4.49Å; F1713-I1715 HydrophobicContact CD1-CG1 4.33Å; F1713-I1715 HydrophobicContact CE1-CD1 3.47Å; F1713-I1715 VanDerWaalsContact CE1-CD1 3.45Å; F1713-I1715 HydrophobicContact CE1-CG1 3.45Å; F1713-I1715 VanDerWaalsContact CE1-CG1 3.43Å; F1713-I1715 HydrophobicContact CE2-CG1 4.4Å; F1713-I1715 HydrophobicContact CZ-CD1 3.56Å; F1713-I1715 VanDerWaalsContact CZ-CD1 3.47Å; F1713-I1715 HydrophobicContact CZ-CG1 3.55Å; F1713-I1715 VanDerWaalsContact CZ-CG1 3.48Å; F1713-E1727 CarbonylContact O-C 3.51Å; F1713-E1727 VanDerWaalsContact O-CA 3.3Å; F1713-E1727 WeakPolarHBondContact O-CA 3.28Å; F1713-Y1728 CarbonylContact C-O 3.53Å; F1713-Y1728 HydrophobicContact CB-CD1 4.29Å; F1713-Y1728 HydrophobicContact CB-CG 4.25Å; F1713-Y1728 PolarHBondContact N-O 3.09Å; F1713-Y1728 WeakPolarHBondContact O-CA 3.05Å; F1713-Y1728 WeakPolarHBondContact O-CB 3.24Å; F1713-Y1728 PolarHBondContact O-N 2.97Å
1714	K	74.9	Confident	65.3	Low	32.4 Å²	32.4	66.5 Å²	66.5	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141	179.7	-50.6	-165.2	-179	-152.6	0	110.6	I1696 E1697 L1712 I1721 I1725 I1726 E1727	I1696-K1714 CarbonylContact C-O 3.54Å; I1696-K1714 VanDerWaalsContact CA-O 3.28Å; I1696-K1714 WeakPolarHBondContact CA-O 3.18Å; I1696-K1714 VanDerWaalsContact CG2-O 3.3Å; I1696-K1714 WeakPolarHBondContact CG2-O 3.25Å; E1697-K1714 HydrophobicContact CB-CB 4.15Å; E1697-K1714 HydrophobicContact CB-CD 4.41Å; E1697-K1714 HydrophobicContact CB-CG 4.16Å; E1697-K1714 HydrophobicContact CG-CB 4.2Å; E1697-K1714 PolarHBondContact N-O 2.93Å; E1697-K1714 PolarHBondContact O-N 3.12Å; L1712-K1714 HydrophobicContact CD1-CG 4.26Å; L1712-K1714 VanDerWaalsContact CD2-CE 3.42Å; L1712-K1714 HydrophobicContact CG-CG 4.36Å; K1714-I1721 HydrophobicContact CB-CD1 4.36Å; K1714-I1721 HydrophobicContact CB-CG1 4.42Å; K1714-I1721 HydrophobicContact CB-CG2 4.47Å; K1714-I1721 HydrophobicContact CD-CG2 4.33Å; K1714-I1725 HydrophobicContact CB-CG2 4.1Å; K1714-I1725 HydrophobicContact CD-CD1 4.48Å; K1714-I1725 HydrophobicContact CD-CG2 4.44Å; K1714-I1725 HydrophobicContact CG-CG2 4.33Å; K1714-I1726 CarbonylContact C-O 3.5Å; K1714-I1726 VanDerWaalsContact CA-O 3.23Å; K1714-I1726 WeakPolarHBondContact CA-O 3.04Å; K1714-E1727 HydrophobicContact CB-CG 4.24Å; K1714-E1727 HydrophobicContact CD-CG 4.17Å; K1714-E1727 WeakPolarHBondContact CD-OE1 3.14Å; K1714-E1727 VanDerWaalsContact CE-OE1 3.25Å; K1714-E1727 WeakPolarHBondContact CE-OE1 3.31Å; K1714-E1727 HydrophobicContact CG-CB 4.35Å; K1714-E1727 HydrophobicContact CG-CG 4Å; K1714-E1727 IonicContact NZ-OE1 2.83Å; K1714-E1727 PolarHBondContact NZ-OE1 3.01Å
1715	I	72.9	Confident	65.2	Low	49.4 Å²	49.4	61.7 Å²	61.7	25%	0.253	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.4	166.2	-55.9	-177.5	0	0	0	109	Y1694 Q1695 I1696 F1713 I1725 I1726	Y1694-I1715 HydrophobicContact CG-CG2 4.35Å; Q1695-I1715 CarbonylContact O-C 3.32Å; Q1695-I1715 VanDerWaalsContact O-CA 3.25Å; Q1695-I1715 WeakPolarHBondContact O-CA 3.34Å; I1696-I1715 HydrophobicContact CD1-CD1 4.5Å; I1696-I1715 HydrophobicContact CG1-CB 4.43Å; I1696-I1715 HydrophobicContact CG1-CD1 4.49Å; I1696-I1715 HydrophobicContact CG1-CG1 4.14Å; I1696-I1715 HydrophobicContact CG1-CG2 4.33Å; I1696-I1715 HydrophobicContact CG2-CG1 4.3Å; F1713-I1715 HydrophobicContact CD1-CD1 4.49Å; F1713-I1715 HydrophobicContact CD1-CG1 4.33Å; F1713-I1715 HydrophobicContact CE1-CD1 3.47Å; F1713-I1715 VanDerWaalsContact CE1-CD1 3.45Å; F1713-I1715 HydrophobicContact CE1-CG1 3.45Å; F1713-I1715 VanDerWaalsContact CE1-CG1 3.43Å; F1713-I1715 HydrophobicContact CE2-CG1 4.4Å; F1713-I1715 HydrophobicContact CZ-CD1 3.56Å; F1713-I1715 VanDerWaalsContact CZ-CD1 3.47Å; F1713-I1715 HydrophobicContact CZ-CG1 3.55Å; F1713-I1715 VanDerWaalsContact CZ-CG1 3.48Å; I1715-I1725 CarbonylContact O-C 3.43Å; I1715-I1725 VanDerWaalsContact O-C 3.25Å; I1715-I1725 VanDerWaalsContact O-CA 3.28Å; I1715-I1725 WeakPolarHBondContact O-CA 3.36Å; I1715-I1726 HydrophobicContact CB-CB 4.39Å; I1715-I1726 PolarHBondContact N-O 2.98Å; I1715-I1726 PolarHBondContact O-N 2.92Å; I1715-I1726 VanDerWaalsContact O-N 3.16Å
1716	G	68.1	Low	65.3	Low	4 Å²	4	60.8 Å²	60.8	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	-171.1	174.5	0	0	0	0	0	115.2	Y1694 Q1695 N1724	Y1694-G1716 CarbonylContact C-O 3.37Å; Y1694-G1716 WeakPolarHBondContact CA-O 3.32Å; Q1695-G1716 WeakPolarHBondContact CA-O 2.79Å; Q1695-G1716 VanDerWaalsContact CB-O 3.31Å; Q1695-G1716 WeakPolarHBondContact CB-O 3.49Å; Q1695-G1716 PolarHBondContact N-O 3.07Å; Q1695-G1716 PolarHBondContact O-N 2.91Å; G1716-N1724 CarbonylContact C-O 3.46Å; G1716-N1724 VanDerWaalsContact C-O 3.31Å; G1716-N1724 VanDerWaalsContact CA-O 3.25Å; G1716-N1724 WeakPolarHBondContact CA-O 3.29Å
1717	R	67.1	Low	65.7	Low	125 Å²	125	57.8 Å²	57.8	47%	0.472	29%	0.291	S	S	.	.			trans	-75.7	138.8	175.2	-77.5	-175.2	-178.4	175	3.2	110.8	G1719 L1720 I1721 N1724	R1717-G1719 PolarHBondContact O-N 3.29Å; R1717-L1720 HydrophobicContact CB-CB 4.19Å; R1717-L1720 CarbonylContact O-C 3.5Å; R1717-L1720 VanDerWaalsContact O-C 3.31Å; R1717-L1720 WeakPolarHBondContact O-CA 3.38Å; R1717-L1720 PolarHBondContact O-N 3.16Å; R1717-L1720 VanDerWaalsContact O-N 3.13Å; R1717-I1721 WeakPolarHBondContact O-CA 3.19Å; R1717-I1721 PolarHBondContact O-N 3.01Å; R1717-I1721 VanDerWaalsContact O-N 3.14Å; R1717-N1724 HydrophobicContact CB-CB 4.23Å; R1717-N1724 HydrophobicContact CG-CB 3.95Å; R1717-N1724 PolarHBondContact N-O 3.08Å
1718	P	67.3	Low	66	Low	58.2 Å²	58.2	52.3 Å²	52.3	38%	0.378	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	133.3	177.4	3.1	-5.8	0	0	0	111.6	L1680 G1693 Q1695 L1720	L1680-P1718 HydrophobicContact CD2-CB 3.8Å; L1680-P1718 HydrophobicContact CD2-CG 3.66Å; G1693-P1718 VanDerWaalsContact C-CD 3.48Å; G1693-P1718 WeakPolarHBondContact O-CD 3.31Å; Q1695-P1718 HydrophobicContact CB-CB 4.27Å; P1718-L1720 PolarHBondContact O-N 3.11Å
1719	G	65.5	Low	66.1	Low	69.6 Å²	69.6	53.5 Å²	53.5	72%	0.718	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	-15	-176.8	0	0	0	0	0	115.3	R1717	R1717-G1719 PolarHBondContact O-N 3.29Å
1720	L	62.8	Low	66	Low	71.6 Å²	71.6	52.9 Å²	52.9	38%	0.375	27%	0.273	S	S	.	.			trans	-118.2	33.4	175.8	-60.5	178.4	0	0	0	110.7	R1717 P1718 H1722 Q1723 N1724	R1717-L1720 HydrophobicContact CB-CB 4.19Å; R1717-L1720 CarbonylContact O-C 3.5Å; R1717-L1720 VanDerWaalsContact O-C 3.31Å; R1717-L1720 WeakPolarHBondContact O-CA 3.38Å; R1717-L1720 PolarHBondContact O-N 3.16Å; R1717-L1720 VanDerWaalsContact O-N 3.13Å; P1718-L1720 PolarHBondContact O-N 3.11Å; L1720-H1722 PolarHBondContact O-N 2.93Å; L1720-Q1723 HydrophobicContact CB-CB 4.17Å; L1720-Q1723 HydrophobicContact CB-CG 3.96Å; L1720-Q1723 HydrophobicContact CD2-CG 4.44Å; L1720-Q1723 CarbonylContact O-C 3.44Å; L1720-Q1723 WeakPolarHBondContact O-CA 3.23Å; L1720-Q1723 WeakPolarHBondContact O-CB 3.15Å; L1720-Q1723 PolarHBondContact O-N 2.95Å; L1720-N1724 PolarHBondContact O-N 2.84Å
1721	I	55.9	Low	65.9	Low	18.6 Å²	18.6	53 Å²	53	10%	0.095	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.7	-177.7	-82	173.1	0	0	0	110.5	Q1695 E1697 K1714 R1717 Q1723 N1724 I1725	Q1695-I1721 HydrophobicContact CB-CD1 3.7Å; Q1695-I1721 HydrophobicContact CB-CG1 4.09Å; Q1695-I1721 VanDerWaalsContact CD-CD1 3.42Å; Q1695-I1721 HydrophobicContact CG-CD1 3.42Å; Q1695-I1721 VanDerWaalsContact CG-CD1 3.44Å; Q1695-I1721 HydrophobicContact CG-CG1 4.2Å; Q1695-I1721 WeakPolarHBondContact O-CD1 3.45Å; Q1695-I1721 VanDerWaalsContact OE1-CD1 3.3Å; Q1695-I1721 VanDerWaalsContact OE1-CG1 3.3Å; E1697-I1721 HydrophobicContact CB-CD1 4.34Å; E1697-I1721 HydrophobicContact CG-CD1 3.72Å; K1714-I1721 HydrophobicContact CB-CD1 4.36Å; K1714-I1721 HydrophobicContact CB-CG1 4.42Å; K1714-I1721 HydrophobicContact CB-CG2 4.47Å; K1714-I1721 HydrophobicContact CD-CG2 4.33Å; R1717-I1721 WeakPolarHBondContact O-CA 3.19Å; R1717-I1721 PolarHBondContact O-N 3.01Å; R1717-I1721 VanDerWaalsContact O-N 3.14Å; I1721-Q1723 PolarHBondContact O-N 2.91Å; I1721-Q1723 VanDerWaalsContact O-N 3.09Å; I1721-N1724 PolarHBondContact O-N 2.99Å; I1721-I1725 VanDerWaalsContact C-CG1 3.44Å; I1721-I1725 HydrophobicContact CB-CG2 4.14Å; I1721-I1725 HydrophobicContact CG1-CG2 4.19Å; I1721-I1725 HydrophobicContact CG2-CD1 4.14Å; I1721-I1725 HydrophobicContact CG2-CG1 4.27Å; I1721-I1725 HydrophobicContact CG2-CG2 3.72Å; I1721-I1725 WeakPolarHBondContact O-CB 3.33Å; I1721-I1725 WeakPolarHBondContact O-CD1 3.39Å; I1721-I1725 VanDerWaalsContact O-CG1 3.29Å; I1721-I1725 WeakPolarHBondContact O-CG1 3.23Å; I1721-I1725 WeakPolarHBondContact O-CG2 3.35Å; I1721-I1725 PolarHBondContact O-N 3.47Å
1722	H	60.1	Low	65.5	Low	141 Å²	141	54 Å²	54	65%	0.653	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-7.1	175.7	-57.5	-58.7	0	0	0	114.6	L1720 I1744 N1747	L1720-H1722 PolarHBondContact O-N 2.93Å; H1722-I1744 WeakPolarHBondContact O-CG2 3.5Å; H1722-N1747 PolarHBondContact O-OD1 2.86Å
1723	Q	56.3	Low	64.9	Low	76.8 Å²	76.8	54.9 Å²	54.9	36%	0.359	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-118	10.6	-176.1	-51.3	-173	-11.5	0	0	112.4	L1720 I1721 Y1745 L1746 N1747	L1720-Q1723 HydrophobicContact CB-CB 4.17Å; L1720-Q1723 HydrophobicContact CB-CG 3.96Å; L1720-Q1723 HydrophobicContact CD2-CG 4.44Å; L1720-Q1723 CarbonylContact O-C 3.44Å; L1720-Q1723 WeakPolarHBondContact O-CA 3.23Å; L1720-Q1723 WeakPolarHBondContact O-CB 3.15Å; L1720-Q1723 PolarHBondContact O-N 2.95Å; I1721-Q1723 PolarHBondContact O-N 2.91Å; I1721-Q1723 VanDerWaalsContact O-N 3.09Å; Q1723-Y1745 CarbonylContact O-C 3.53Å; Q1723-Y1745 VanDerWaalsContact O-CA 3.26Å; Q1723-Y1745 WeakPolarHBondContact O-CA 3.37Å; Q1723-Y1745 PolarHBondContact O-N 2.78Å; Q1723-L1746 HydrophobicContact CB-CD1 3.73Å; Q1723-L1746 HydrophobicContact CG-CD1 4.03Å; Q1723-L1746 CarbonylContact O-C 3.55Å; Q1723-L1746 WeakPolarHBondContact O-CA 3.41Å; Q1723-L1746 WeakPolarHBondContact O-CB 3.5Å; Q1723-L1746 WeakPolarHBondContact O-CD1 2.86Å; Q1723-L1746 WeakPolarHBondContact O-CG 3.48Å; Q1723-L1746 PolarHBondContact O-N 3.15Å; Q1723-N1747 WeakPolarHBondContact CA-OD1 3.47Å; Q1723-N1747 HydrophobicContact CB-CB 4.15Å; Q1723-N1747 HydrophobicContact CG-CB 3.98Å; Q1723-N1747 WeakPolarHBondContact CG-OD1 3.19Å; Q1723-N1747 PolarHBondContact NE2-ND2 2.95Å; Q1723-N1747 PolarHBondContact NE2-OD1 2.91Å; Q1723-N1747 PolarHBondContact O-N 2.86Å
1724	N	53.1	Low	64.1	Low	16.8 Å²	16.8	55.7 Å²	55.7	9%	0.09	29%	0.292	C	S	.	.	S	Bend	trans	-176.7	62.1	-173	-59.5	-62.6	0	0	0	111.6	G1716 R1717 L1720 I1721 I1744 Y1745 L1746	G1716-N1724 CarbonylContact C-O 3.46Å; G1716-N1724 VanDerWaalsContact C-O 3.31Å; G1716-N1724 VanDerWaalsContact CA-O 3.25Å; G1716-N1724 WeakPolarHBondContact CA-O 3.29Å; R1717-N1724 HydrophobicContact CB-CB 4.23Å; R1717-N1724 HydrophobicContact CG-CB 3.95Å; R1717-N1724 PolarHBondContact N-O 3.08Å; L1720-N1724 PolarHBondContact O-N 2.84Å; I1721-N1724 PolarHBondContact O-N 2.99Å; N1724-I1744 CarbonylContact C-O 3.45Å; N1724-I1744 VanDerWaalsContact CA-O 3.28Å; N1724-I1744 WeakPolarHBondContact CA-O 3.33Å; N1724-I1744 PolarHBondContact N-O 2.83Å; N1724-I1744 VanDerWaalsContact N-O 3.08Å; N1724-Y1745 HydrophobicContact CB-CD1 4.04Å; N1724-Y1745 HydrophobicContact CB-CE1 4.05Å; N1724-Y1745 VanDerWaalsContact OD1-CD1 3.26Å; N1724-Y1745 WeakPolarHBondContact OD1-CD1 3.39Å; N1724-Y1745 WeakPolarHBondContact OD1-CD2 3.43Å; N1724-L1746 VanDerWaalsContact ND2-CD1 3.35Å; N1724-L1746 WeakPolarHBondContact ND2-CD1 3.21Å; N1724-L1746 WeakPolarHBondContact OD1-CG 3.44Å; N1724-L1746 PolarHBondContact OD1-N 3.02Å; N1724-L1746 VanDerWaalsContact OD1-N 3.09Å
1725	I	61.5	Low	63.6	Low	6.8 Å²	6.8	57.7 Å²	57.7	4%	0.035	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	148.1	-176.9	-1.1	175.1	0	0	0	112.7	K1714 I1715 I1721 E1727 T1743 I1744	K1714-I1725 HydrophobicContact CB-CG2 4.1Å; K1714-I1725 HydrophobicContact CD-CD1 4.48Å; K1714-I1725 HydrophobicContact CD-CG2 4.44Å; K1714-I1725 HydrophobicContact CG-CG2 4.33Å; I1715-I1725 CarbonylContact O-C 3.43Å; I1715-I1725 VanDerWaalsContact O-C 3.25Å; I1715-I1725 VanDerWaalsContact O-CA 3.28Å; I1715-I1725 WeakPolarHBondContact O-CA 3.36Å; I1721-I1725 VanDerWaalsContact C-CG1 3.44Å; I1721-I1725 HydrophobicContact CB-CG2 4.14Å; I1721-I1725 HydrophobicContact CG1-CG2 4.19Å; I1721-I1725 HydrophobicContact CG2-CD1 4.14Å; I1721-I1725 HydrophobicContact CG2-CG1 4.27Å; I1721-I1725 HydrophobicContact CG2-CG2 3.72Å; I1721-I1725 WeakPolarHBondContact O-CB 3.33Å; I1721-I1725 WeakPolarHBondContact O-CD1 3.39Å; I1721-I1725 VanDerWaalsContact O-CG1 3.29Å; I1721-I1725 WeakPolarHBondContact O-CG1 3.23Å; I1721-I1725 WeakPolarHBondContact O-CG2 3.35Å; I1721-I1725 PolarHBondContact O-N 3.47Å; I1725-E1727 HydrophobicContact CB-CG 4.02Å; I1725-E1727 HydrophobicContact CD1-CG 3.71Å; I1725-E1727 VanDerWaalsContact CD1-CG 3.44Å; I1725-E1727 VanDerWaalsContact CD1-OE1 3.28Å; I1725-E1727 WeakPolarHBondContact CD1-OE1 3.43Å; I1725-E1727 HydrophobicContact CG1-CG 4.06Å; I1725-E1727 HydrophobicContact CG2-CB 3.76Å; I1725-E1727 HydrophobicContact CG2-CG 3.56Å; I1725-E1727 VanDerWaalsContact CG2-CG 3.43Å; I1725-T1743 CarbonylContact O-C 3.43Å; I1725-T1743 VanDerWaalsContact O-CA 3.3Å; I1725-T1743 WeakPolarHBondContact O-CA 3.27Å; I1725-T1743 WeakPolarHBondContact O-CB 3.41Å; I1725-I1744 HydrophobicContact CD1-CB 4.24Å; I1725-I1744 HydrophobicContact CD1-CD1 3.97Å; I1725-I1744 HydrophobicContact CD1-CG1 4.1Å; I1725-I1744 HydrophobicContact CG1-CB 3.94Å; I1725-I1744 HydrophobicContact CG1-CD1 4.19Å; I1725-I1744 HydrophobicContact CG1-CG1 4.28Å; I1725-I1744 PolarHBondContact N-O 3.1Å; I1725-I1744 VanDerWaalsContact N-O 3.15Å; I1725-I1744 PolarHBondContact O-N 2.92Å
1726	I	61.3	Low	63.2	Low	83.2 Å²	83.2	57.6 Å²	57.6	43%	0.427	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110.5	153.4	-59.5	173.5	0	0	0	105.5	K1714 I1715 I1741 S1742 T1743	K1714-I1726 CarbonylContact C-O 3.5Å; K1714-I1726 VanDerWaalsContact CA-O 3.23Å; K1714-I1726 WeakPolarHBondContact CA-O 3.04Å; I1715-I1726 HydrophobicContact CB-CB 4.39Å; I1715-I1726 PolarHBondContact N-O 2.98Å; I1715-I1726 PolarHBondContact O-N 2.92Å; I1715-I1726 VanDerWaalsContact O-N 3.16Å; I1726-I1741 HydrophobicContact CG2-CG2 4.37Å; I1726-S1742 CarbonylContact C-O 3.47Å; I1726-S1742 VanDerWaalsContact CA-O 3.27Å; I1726-S1742 WeakPolarHBondContact CA-O 3.3Å; I1726-T1743 HydrophobicContact CB-CG2 4.32Å; I1726-T1743 HydrophobicContact CG1-CG2 3.96Å; I1726-T1743 HydrophobicContact CG2-CG2 4.15Å
1727	E	66.5	Low	62.9	Low	30.2 Å²	30.2	58.8 Å²	58.8	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.6	176.7	-63.9	-178.1	147.9	0	0	110.1	L1712 F1713 K1714 I1725 I1741 S1742	L1712-E1727 HydrophobicContact CD1-CG 3.99Å; F1713-E1727 CarbonylContact O-C 3.51Å; F1713-E1727 VanDerWaalsContact O-CA 3.3Å; F1713-E1727 WeakPolarHBondContact O-CA 3.28Å; K1714-E1727 HydrophobicContact CB-CG 4.24Å; K1714-E1727 HydrophobicContact CD-CG 4.17Å; K1714-E1727 WeakPolarHBondContact CD-OE1 3.14Å; K1714-E1727 VanDerWaalsContact CE-OE1 3.25Å; K1714-E1727 WeakPolarHBondContact CE-OE1 3.31Å; K1714-E1727 HydrophobicContact CG-CB 4.35Å; K1714-E1727 HydrophobicContact CG-CG 4Å; K1714-E1727 IonicContact NZ-OE1 2.83Å; K1714-E1727 PolarHBondContact NZ-OE1 3.01Å; I1725-E1727 HydrophobicContact CB-CG 4.02Å; I1725-E1727 HydrophobicContact CD1-CG 3.71Å; I1725-E1727 VanDerWaalsContact CD1-CG 3.44Å; I1725-E1727 VanDerWaalsContact CD1-OE1 3.28Å; I1725-E1727 WeakPolarHBondContact CD1-OE1 3.43Å; I1725-E1727 HydrophobicContact CG1-CG 4.06Å; I1725-E1727 HydrophobicContact CG2-CB 3.76Å; I1725-E1727 HydrophobicContact CG2-CG 3.56Å; I1725-E1727 VanDerWaalsContact CG2-CG 3.43Å; E1727-I1741 CarbonylContact O-C 3.49Å; E1727-I1741 VanDerWaalsContact O-CA 3.27Å; E1727-I1741 WeakPolarHBondContact O-CA 3.42Å; E1727-I1741 WeakPolarHBondContact O-CG2 3.42Å; E1727-S1742 WeakPolarHBondContact CA-O 3.42Å; E1727-S1742 VanDerWaalsContact CB-O 3.28Å; E1727-S1742 WeakPolarHBondContact CB-O 3.31Å; E1727-S1742 VanDerWaalsContact CB-OG 3.25Å; E1727-S1742 WeakPolarHBondContact CB-OG 3.18Å; E1727-S1742 VanDerWaalsContact CG-OG 3.25Å; E1727-S1742 WeakPolarHBondContact CG-OG 3.01Å; E1727-S1742 PolarHBondContact N-O 3.12Å; E1727-S1742 PolarHBondContact O-N 2.9Å; E1727-S1742 VanDerWaalsContact O-O 3.12Å; E1727-S1742 WeakPolarHBondContact OE2-CB 3.41Å; E1727-S1742 PolarHBondContact OE2-OG 3.02Å; E1727-S1742 VanDerWaalsContact OE2-OG 3.1Å
1728	Y	65.2	Low	62.9	Low	69.4 Å²	69.4	56.2 Å²	56.2	27%	0.272	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.9	167.7	171.4	-79.7	0	0	0	107.6	I1711 L1712 F1713 H1730 F1739 Q1740 I1741	I1711-Y1728 HydrophobicContact CB-CE1 4.47Å; I1711-Y1728 HydrophobicContact CG2-CD1 4.44Å; I1711-Y1728 HydrophobicContact CG2-CE1 4.22Å; L1712-Y1728 CarbonylContact C-O 3.52Å; L1712-Y1728 VanDerWaalsContact CA-O 3.28Å; L1712-Y1728 WeakPolarHBondContact CA-O 3.31Å; F1713-Y1728 CarbonylContact C-O 3.53Å; F1713-Y1728 HydrophobicContact CB-CD1 4.29Å; F1713-Y1728 HydrophobicContact CB-CG 4.25Å; F1713-Y1728 PolarHBondContact N-O 3.09Å; F1713-Y1728 WeakPolarHBondContact O-CA 3.05Å; F1713-Y1728 WeakPolarHBondContact O-CB 3.24Å; F1713-Y1728 PolarHBondContact O-N 2.97Å; Y1728-H1730 HydrophobicContact CD1-CB 4.42Å; Y1728-H1730 HydrophobicContact CE1-CB 3.54Å; Y1728-H1730 VanDerWaalsContact CE1-CB 3.44Å; Y1728-H1730 WeakPolarHBondContact OH-CB 3.28Å; Y1728-H1730 PolarHBondContact OH-CD2 3.44Å; Y1728-F1739 HydrophobicContact CD1-CE2 4.37Å; Y1728-F1739 HydrophobicContact CD2-CD2 4.25Å; Y1728-F1739 AromaticContact CD2-CE2 3.34Å; Y1728-F1739 HydrophobicContact CD2-CE2 3.85Å; Y1728-F1739 VanDerWaalsContact CD2-CE2 3.45Å; Y1728-F1739 AromaticContact CD2-CZ 3.89Å; Y1728-F1739 HydrophobicContact CD2-CZ 3.89Å; Y1728-F1739 HydrophobicContact CE1-CE2 4.3Å; Y1728-F1739 AromaticContact CE2-CD2 3.7Å; Y1728-F1739 HydrophobicContact CE2-CD2 4.03Å; Y1728-F1739 AromaticContact CE2-CE2 3.24Å; Y1728-F1739 HydrophobicContact CE2-CE2 3.24Å; Y1728-F1739 VanDerWaalsContact CE2-CE2 3.41Å; Y1728-F1739 AromaticContact CE2-CZ 3.8Å; Y1728-F1739 HydrophobicContact CE2-CZ 3.8Å; Y1728-F1739 AromaticContact CG-CE2 3.99Å; Y1728-F1739 HydrophobicContact CG-CE2 4.03Å; Y1728-F1739 AromaticContact CZ-CD2 3.85Å; Y1728-F1739 AromaticContact CZ-CE2 3.65Å; Y1728-Q1740 CarbonylContact C-O 3.47Å; Y1728-Q1740 VanDerWaalsContact C-O 3.28Å; Y1728-Q1740 VanDerWaalsContact CA-O 3.25Å; Y1728-Q1740 WeakPolarHBondContact CA-O 3.19Å; Y1728-I1741 HydrophobicContact CD2-CD1 4.15Å; Y1728-I1741 HydrophobicContact CD2-CG1 3.96Å; Y1728-I1741 HydrophobicContact CE2-CD1 4.35Å; Y1728-I1741 HydrophobicContact CE2-CG1 4.45Å; Y1728-I1741 HydrophobicContact CG-CG1 4.37Å
1729	N	67.7	Low	62.7	Low	45.8 Å²	45.8	55.7 Å²	55.7	25%	0.245	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.6	175.7	-159.7	10.8	0	0	0	109.5	I1711 L1712 F1739 Q1740	I1711-N1729 CarbonylContact O-C 3.47Å; I1711-N1729 VanDerWaalsContact O-C 3.29Å; I1711-N1729 VanDerWaalsContact O-CA 3.29Å; I1711-N1729 WeakPolarHBondContact O-CA 3.14Å; I1711-N1729 PolarHBondContact O-OD1 3.34Å; L1712-N1729 WeakPolarHBondContact CA-OD1 3.38Å; L1712-N1729 WeakPolarHBondContact CB-OD1 3.15Å; L1712-N1729 HydrophobicContact CD1-CB 3.89Å; L1712-N1729 WeakPolarHBondContact CD1-OD1 3.33Å; N1729-F1739 CarbonylContact O-C 3.47Å; N1729-F1739 VanDerWaalsContact O-CA 3.25Å; N1729-F1739 WeakPolarHBondContact O-CA 3.34Å; N1729-F1739 WeakPolarHBondContact O-CD2 3.31Å; N1729-Q1740 HydrophobicContact CB-CB 4.17Å; N1729-Q1740 HydrophobicContact CB-CG 4.32Å; N1729-Q1740 PolarHBondContact N-O 2.92Å; N1729-Q1740 PolarHBondContact ND2-OE1 2.8Å; N1729-Q1740 PolarHBondContact O-N 3.02Å
1730	H	67.9	Low	62.7	Low	35.6 Å²	35.6	54.6 Å²	54.6	17%	0.165	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	110.6	-177.9	-174.4	-118.5	0	0	0	111	D1710 I1711 Y1728 L1732 K1738 F1739	D1710-H1730 CarbonylContact C-O 3.41Å; D1710-H1730 WeakPolarHBondContact CA-O 3.3Å; I1711-H1730 HydrophobicContact CB-CB 4.3Å; I1711-H1730 PolarHBondContact N-O 3.07Å; I1711-H1730 PolarHBondContact O-N 3.04Å; Y1728-H1730 HydrophobicContact CD1-CB 4.42Å; Y1728-H1730 HydrophobicContact CE1-CB 3.54Å; Y1728-H1730 VanDerWaalsContact CE1-CB 3.44Å; Y1728-H1730 WeakPolarHBondContact OH-CB 3.28Å; Y1728-H1730 PolarHBondContact OH-CD2 3.44Å; H1730-L1732 VanDerWaalsContact CE1-CD2 3.45Å; H1730-L1732 WeakPolarHBondContact CE1-CD2 3.27Å; H1730-L1732 WeakPolarHBondContact CE1-CG 3.28Å; H1730-L1732 WeakPolarHBondContact NE2-CD2 3.23Å; H1730-K1738 CarbonylContact C-O 3.53Å; H1730-K1738 VanDerWaalsContact CA-O 3.24Å; H1730-K1738 WeakPolarHBondContact CA-O 3.25Å; H1730-K1738 PolarHBondContact CD2-O 3.19Å; H1730-F1739 HydrophobicContact CB-CD2 4.31Å; H1730-F1739 AromaticContact CD2-CD1 3.33Å; H1730-F1739 WeakPolarHBondContact CD2-CD1 3.39Å; H1730-F1739 AromaticContact CD2-CD2 3.82Å; H1730-F1739 AromaticContact CD2-CE1 3.09Å; H1730-F1739 WeakPolarHBondContact CD2-CE1 3.25Å; H1730-F1739 AromaticContact CD2-CZ 3.62Å; H1730-F1739 AromaticContact NE2-CD1 3.79Å; H1730-F1739 AromaticContact NE2-CE1 3.02Å; H1730-F1739 WeakPolarHBondContact NE2-CE1 3.4Å; H1730-F1739 AromaticContact NE2-CE2 3.97Å; H1730-F1739 AromaticContact NE2-CZ 3.12Å; H1730-F1739 WeakPolarHBondContact NE2-CZ 3.23Å
1731	L	68.7	Low	62.7	Low	30.2 Å²	30.2	53.3 Å²	53.3	16%	0.158	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.8	179.6	172.6	156.1	0	0	0	109.2	Q1708 L1709 D1710 Q1733 Q1736 T1737 K1738	Q1708-L1731 HydrophobicContact CG-CD2 4.45Å; Q1708-L1731 HydrophobicContact CG-CG 4.29Å; Q1708-L1731 VanDerWaalsContact NE2-CD1 3.28Å; L1709-L1731 CarbonylContact O-C 3.46Å; L1709-L1731 VanDerWaalsContact O-CA 3.31Å; L1709-L1731 WeakPolarHBondContact O-CA 3.41Å; D1710-L1731 HydrophobicContact CB-CB 4.39Å; D1710-L1731 VanDerWaalsContact OD1-CB 3.31Å; D1710-L1731 WeakPolarHBondContact OD1-CB 3.31Å; D1710-L1731 VanDerWaalsContact OD1-CD1 3.3Å; D1710-L1731 WeakPolarHBondContact OD1-CD1 3.31Å; D1710-L1731 WeakPolarHBondContact OD1-CG 3.29Å; L1731-Q1733 HydrophobicContact CD2-CG 3.84Å; L1731-Q1733 HydrophobicContact CG-CG 4.4Å; L1731-Q1736 HydrophobicContact CD2-CB 4.11Å; L1731-Q1736 HydrophobicContact CD2-CG 3.99Å; L1731-T1737 CarbonylContact O-C 3.44Å; L1731-T1737 VanDerWaalsContact O-CA 3.3Å; L1731-T1737 WeakPolarHBondContact O-CA 3.23Å; L1731-K1738 HydrophobicContact CB-CB 4.19Å; L1731-K1738 HydrophobicContact CD1-CD 4.18Å; L1731-K1738 HydrophobicContact CD2-CB 4.12Å; L1731-K1738 HydrophobicContact CD2-CD 4.11Å; L1731-K1738 HydrophobicContact CD2-CG 3.91Å; L1731-K1738 HydrophobicContact CG-CD 4.5Å; L1731-K1738 PolarHBondContact N-O 2.92Å; L1731-K1738 PolarHBondContact O-N 2.93Å; L1731-K1738 VanDerWaalsContact O-N 3.13Å
1732	L	61.8	Low	63.1	Low	61 Å²	61	52.7 Å²	52.7	32%	0.319	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.4	176.7	-69	174.6	0	0	0	109.5	Q1708 L1709 H1730 Q1736 T1737	Q1708-L1732 CarbonylContact C-O 3.45Å; Q1708-L1732 VanDerWaalsContact C-O 3.31Å; Q1708-L1732 VanDerWaalsContact CA-O 3.24Å; Q1708-L1732 WeakPolarHBondContact CA-O 3.26Å; L1709-L1732 HydrophobicContact CB-CB 4.34Å; L1709-L1732 HydrophobicContact CB-CD1 4.43Å; L1709-L1732 HydrophobicContact CD2-CD1 4.11Å; L1709-L1732 PolarHBondContact N-O 2.98Å; L1709-L1732 VanDerWaalsContact N-O 3.09Å; L1709-L1732 PolarHBondContact O-N 3.03Å; H1730-L1732 VanDerWaalsContact CE1-CD2 3.45Å; H1730-L1732 WeakPolarHBondContact CE1-CD2 3.27Å; H1730-L1732 WeakPolarHBondContact CE1-CG 3.28Å; H1730-L1732 WeakPolarHBondContact NE2-CD2 3.23Å; L1732-Q1736 CarbonylContact C-O 3.13Å; L1732-Q1736 WeakPolarHBondContact CA-O 2.82Å; L1732-T1737 HydrophobicContact CD2-CG2 3.46Å; L1732-T1737 VanDerWaalsContact CD2-CG2 3.47Å
1733	Q	64.8	Low	63.1	Low	63.2 Å²	63.2	47.3 Å²	47.3	30%	0.295	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	160.6	167.5	-67.8	176.6	-5.8	0	0	109.3	Y1707 Q1708 L1731 N1735 Q1736	Y1707-Q1733 WeakPolarHBondContact O-CA 3.22Å; Q1708-Q1733 HydrophobicContact CB-CB 4.43Å; Q1708-Q1733 HydrophobicContact CB-CG 3.87Å; Q1708-Q1733 VanDerWaalsContact CD-NE2 3.34Å; Q1708-Q1733 HydrophobicContact CG-CG 3.81Å; Q1708-Q1733 VanDerWaalsContact CG-CG 3.44Å; L1731-Q1733 HydrophobicContact CD2-CG 3.84Å; L1731-Q1733 HydrophobicContact CG-CG 4.4Å; Q1733-N1735 PolarHBondContact O-N 2.93Å; Q1733-N1735 VanDerWaalsContact O-N 3.16Å; Q1733-Q1736 WeakPolarHBondContact CA-O 3.4Å; Q1733-Q1736 HydrophobicContact CB-CB 4.08Å; Q1733-Q1736 WeakPolarHBondContact CB-O 3.46Å; Q1733-Q1736 HydrophobicContact CG-CB 4.23Å; Q1733-Q1736 PolarHBondContact N-O 3.14Å; Q1733-Q1736 VanDerWaalsContact N-O 3.11Å; Q1733-Q1736 PolarHBondContact O-N 3.14Å; Q1733-Q1736 VanDerWaalsContact O-O 3.09Å
1734	T	57.8	Low	63.2	Low	81.4 Å²	81.4	45.7 Å²	45.7	50%	0.499	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-28.1	177.6	45.1	0	0	0	0	114.2	Y1707	Y1707-T1734 HydrophobicContact CD2-CG2 4.17Å; Y1707-T1734 HydrophobicContact CG-CG2 4.21Å; Y1707-T1734 PolarHBondContact O-N 2.9Å
1735	N	62.8	Low	63.2	Low	74.4 Å²	74.4	50.3 Å²	50.3	40%	0.398	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	5.5	-177.7	-64.3	-27.4	0	0	0	113.3	Q1733 Q1758 F1759 I1760 E1761	Q1733-N1735 PolarHBondContact O-N 2.93Å; Q1733-N1735 VanDerWaalsContact O-N 3.16Å; N1735-Q1758 CarbonylContact O-C 3.4Å; N1735-Q1758 WeakPolarHBondContact O-CA 3.31Å; N1735-Q1758 WeakPolarHBondContact O-CB 3.38Å; N1735-F1759 WeakPolarHBondContact CA-O 3.45Å; N1735-F1759 WeakPolarHBondContact CB-O 3.36Å; N1735-F1759 PolarHBondContact O-N 3.01Å; N1735-I1760 VanDerWaalsContact O-CA 3.22Å; N1735-I1760 WeakPolarHBondContact O-CA 3.01Å; N1735-I1760 WeakPolarHBondContact O-CG1 3.49Å; N1735-E1761 VanDerWaalsContact CG-CG 3.48Å; N1735-E1761 WeakPolarHBondContact ND2-CG 3.3Å; N1735-E1761 PolarHBondContact ND2-OE1 3.05Å; N1735-E1761 PolarHBondContact O-N 3.47Å; N1735-E1761 VanDerWaalsContact OD1-CA 3.3Å; N1735-E1761 WeakPolarHBondContact OD1-CA 3.18Å; N1735-E1761 WeakPolarHBondContact OD1-CG 3.34Å; N1735-E1761 PolarHBondContact OD1-N 3.41Å
1736	Q	64.7	Low	62.8	Low	47.4 Å²	47.4	54.6 Å²	54.6	22%	0.221	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	128.1	-176.5	-136.4	168.9	14.5	0	0	112.1	L1731 L1732 Q1733 K1738 D1756 I1757 Q1758 F1759 I1760	L1731-Q1736 HydrophobicContact CD2-CB 4.11Å; L1731-Q1736 HydrophobicContact CD2-CG 3.99Å; L1732-Q1736 CarbonylContact C-O 3.13Å; L1732-Q1736 WeakPolarHBondContact CA-O 2.82Å; Q1733-Q1736 WeakPolarHBondContact CA-O 3.4Å; Q1733-Q1736 HydrophobicContact CB-CB 4.08Å; Q1733-Q1736 WeakPolarHBondContact CB-O 3.46Å; Q1733-Q1736 HydrophobicContact CG-CB 4.23Å; Q1733-Q1736 PolarHBondContact N-O 3.14Å; Q1733-Q1736 VanDerWaalsContact N-O 3.11Å; Q1733-Q1736 PolarHBondContact O-N 3.14Å; Q1733-Q1736 VanDerWaalsContact O-O 3.09Å; Q1736-K1738 VanDerWaalsContact CD-CE 3.49Å; Q1736-K1738 VanDerWaalsContact CD-NZ 3.32Å; Q1736-K1738 HydrophobicContact CG-CD 4.38Å; Q1736-K1738 HydrophobicContact CG-CG 4.2Å; Q1736-K1738 VanDerWaalsContact NE2-NZ 3.12Å; Q1736-D1756 PolarHBondContact NE2-OD1 3Å; Q1736-D1756 PolarHBondContact NE2-OD2 2.77Å; Q1736-I1757 CarbonylContact C-O 3.48Å; Q1736-I1757 VanDerWaalsContact CA-O 3.23Å; Q1736-I1757 WeakPolarHBondContact CA-O 3.3Å; Q1736-I1757 VanDerWaalsContact CG-O 3.31Å; Q1736-I1757 WeakPolarHBondContact CG-O 3.22Å; Q1736-Q1758 HydrophobicContact CB-CG 4.11Å; Q1736-Q1758 VanDerWaalsContact CD-CG 3.49Å; Q1736-Q1758 VanDerWaalsContact CD-NE2 3.25Å; Q1736-Q1758 HydrophobicContact CG-CG 3.85Å; Q1736-Q1758 VanDerWaalsContact NE2-NE2 3.12Å; Q1736-F1759 VanDerWaalsContact CA-O 3.26Å; Q1736-F1759 WeakPolarHBondContact CA-O 3.46Å; Q1736-I1760 HydrophobicContact CG-CG1 3.97Å
1737	T	62.5	Low	62.4	Low	29.4 Å²	29.4	54.6 Å²	54.6	18%	0.18	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.9	168.2	63.3	0	0	0	0	109.6	L1731 L1732 I1757 Q1758 F1759	L1731-T1737 CarbonylContact O-C 3.44Å; L1731-T1737 VanDerWaalsContact O-CA 3.3Å; L1731-T1737 WeakPolarHBondContact O-CA 3.23Å; L1732-T1737 HydrophobicContact CD2-CG2 3.46Å; L1732-T1737 VanDerWaalsContact CD2-CG2 3.47Å; T1737-I1757 CarbonylContact C-O 3.5Å; T1737-I1757 PolarHBondContact N-O 3.2Å; T1737-I1757 PolarHBondContact O-N 2.87Å; T1737-I1757 WeakPolarHBondContact OG1-CB 3.3Å; T1737-Q1758 WeakPolarHBondContact O-CA 3.2Å; T1737-F1759 HydrophobicContact CG2-CD2 4.5Å; T1737-F1759 HydrophobicContact CG2-CE2 3.88Å; T1737-F1759 HydrophobicContact CG2-CZ 4.12Å; T1737-F1759 PolarHBondContact N-O 2.84Å; T1737-F1759 VanDerWaalsContact N-O 3.09Å; T1737-F1759 PolarHBondContact O-N 2.83Å; T1737-F1759 WeakPolarHBondContact OG1-CB 3.48Å; T1737-F1759 WeakPolarHBondContact OG1-CD2 3.15Å; T1737-F1759 WeakPolarHBondContact OG1-CE2 3.35Å
1738	K	66.1	Low	61.7	Low	70.4 Å²	70.4	58.9 Å²	58.9	31%	0.306	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.9	175.5	-109.8	178.1	-176.1	179.1	0	109.7	H1730 L1731 Q1736 N1754 F1755 D1756 I1757 Q1758	H1730-K1738 CarbonylContact C-O 3.53Å; H1730-K1738 VanDerWaalsContact CA-O 3.24Å; H1730-K1738 WeakPolarHBondContact CA-O 3.25Å; H1730-K1738 PolarHBondContact CD2-O 3.19Å; L1731-K1738 HydrophobicContact CB-CB 4.19Å; L1731-K1738 HydrophobicContact CD1-CD 4.18Å; L1731-K1738 HydrophobicContact CD2-CB 4.12Å; L1731-K1738 HydrophobicContact CD2-CD 4.11Å; L1731-K1738 HydrophobicContact CD2-CG 3.91Å; L1731-K1738 HydrophobicContact CG-CD 4.5Å; L1731-K1738 PolarHBondContact N-O 2.92Å; L1731-K1738 PolarHBondContact O-N 2.93Å; L1731-K1738 VanDerWaalsContact O-N 3.13Å; Q1736-K1738 VanDerWaalsContact CD-CE 3.49Å; Q1736-K1738 VanDerWaalsContact CD-NZ 3.32Å; Q1736-K1738 HydrophobicContact CG-CD 4.38Å; Q1736-K1738 HydrophobicContact CG-CG 4.2Å; Q1736-K1738 VanDerWaalsContact NE2-NZ 3.12Å; K1738-N1754 VanDerWaalsContact CE-OD1 3.29Å; K1738-N1754 WeakPolarHBondContact CE-OD1 3.48Å; K1738-F1755 CarbonylContact C-O 3.52Å; K1738-F1755 VanDerWaalsContact CA-O 3.27Å; K1738-F1755 WeakPolarHBondContact CA-O 3.37Å; K1738-F1755 WeakPolarHBondContact CB-O 3.49Å; K1738-F1755 WeakPolarHBondContact CG-O 2.78Å; K1738-D1756 HydrophobicContact CB-CB 4.4Å; K1738-D1756 WeakPolarHBondContact CB-OD1 3.1Å; K1738-D1756 HydrophobicContact CD-CB 4.23Å; K1738-D1756 WeakPolarHBondContact CD-OD1 3.27Å; K1738-D1756 WeakPolarHBondContact CE-OD1 3.42Å; K1738-D1756 WeakPolarHBondContact CE-OD2 3.39Å; K1738-D1756 HydrophobicContact CG-CB 3.9Å; K1738-D1756 VanDerWaalsContact CG-CG 3.49Å; K1738-D1756 WeakPolarHBondContact CG-OD1 3.28Å; K1738-D1756 IonicContact NZ-OD1 2.62Å; K1738-D1756 PolarHBondContact NZ-OD1 2.92Å; K1738-D1756 IonicContact NZ-OD2 3.44Å; K1738-D1756 PolarHBondContact NZ-OD2 2.79Å; K1738-I1757 WeakPolarHBondContact CA-O 3.26Å; K1738-Q1758 HydrophobicContact CB-CG 4.16Å; K1738-Q1758 HydrophobicContact CD-CG 4.44Å; K1738-Q1758 HydrophobicContact CG-CG 3.87Å
1739	F	63.4	Low	61.2	Low	47.2 Å²	47.2	57.6 Å²	57.6	21%	0.207	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.3	177.1	-169.9	-104.8	0	0	0	110	Y1728 N1729 H1730 I1741 L1753 N1754 F1755 D1756 I1757	Y1728-F1739 HydrophobicContact CD1-CE2 4.37Å; Y1728-F1739 HydrophobicContact CD2-CD2 4.25Å; Y1728-F1739 AromaticContact CD2-CE2 3.34Å; Y1728-F1739 HydrophobicContact CD2-CE2 3.85Å; Y1728-F1739 VanDerWaalsContact CD2-CE2 3.45Å; Y1728-F1739 AromaticContact CD2-CZ 3.89Å; Y1728-F1739 HydrophobicContact CD2-CZ 3.89Å; Y1728-F1739 HydrophobicContact CE1-CE2 4.3Å; Y1728-F1739 AromaticContact CE2-CD2 3.7Å; Y1728-F1739 HydrophobicContact CE2-CD2 4.03Å; Y1728-F1739 AromaticContact CE2-CE2 3.24Å; Y1728-F1739 HydrophobicContact CE2-CE2 3.24Å; Y1728-F1739 VanDerWaalsContact CE2-CE2 3.41Å; Y1728-F1739 AromaticContact CE2-CZ 3.8Å; Y1728-F1739 HydrophobicContact CE2-CZ 3.8Å; Y1728-F1739 AromaticContact CG-CE2 3.99Å; Y1728-F1739 HydrophobicContact CG-CE2 4.03Å; Y1728-F1739 AromaticContact CZ-CD2 3.85Å; Y1728-F1739 AromaticContact CZ-CE2 3.65Å; N1729-F1739 CarbonylContact O-C 3.47Å; N1729-F1739 VanDerWaalsContact O-CA 3.25Å; N1729-F1739 WeakPolarHBondContact O-CA 3.34Å; N1729-F1739 WeakPolarHBondContact O-CD2 3.31Å; H1730-F1739 HydrophobicContact CB-CD2 4.31Å; H1730-F1739 AromaticContact CD2-CD1 3.33Å; H1730-F1739 WeakPolarHBondContact CD2-CD1 3.39Å; H1730-F1739 AromaticContact CD2-CD2 3.82Å; H1730-F1739 AromaticContact CD2-CE1 3.09Å; H1730-F1739 WeakPolarHBondContact CD2-CE1 3.25Å; H1730-F1739 AromaticContact CD2-CZ 3.62Å; H1730-F1739 AromaticContact NE2-CD1 3.79Å; H1730-F1739 AromaticContact NE2-CE1 3.02Å; H1730-F1739 WeakPolarHBondContact NE2-CE1 3.4Å; H1730-F1739 AromaticContact NE2-CE2 3.97Å; H1730-F1739 AromaticContact NE2-CZ 3.12Å; H1730-F1739 WeakPolarHBondContact NE2-CZ 3.23Å; F1739-I1741 HydrophobicContact CD1-CG1 4.38Å; F1739-I1741 HydrophobicContact CE1-CD1 3.75Å; F1739-I1741 VanDerWaalsContact CE1-CD1 3.41Å; F1739-I1741 HydrophobicContact CE1-CG1 3.84Å; F1739-I1741 HydrophobicContact CE2-CD1 4.25Å; F1739-I1741 HydrophobicContact CE2-CG1 3.72Å; F1739-I1741 HydrophobicContact CZ-CD1 3.4Å; F1739-I1741 HydrophobicContact CZ-CG1 3.54Å; F1739-L1753 HydrophobicContact CD1-CD2 3.98Å; F1739-L1753 HydrophobicContact CE1-CD2 4Å; F1739-N1754 CarbonylContact O-C 3.51Å; F1739-N1754 VanDerWaalsContact O-C 3.31Å; F1739-N1754 VanDerWaalsContact O-CA 3.27Å; F1739-N1754 WeakPolarHBondContact O-CA 3.3Å; F1739-F1755 CarbonylContact C-O 3.55Å; F1739-F1755 HydrophobicContact CB-CB 4.18Å; F1739-F1755 HydrophobicContact CB-CD1 4.13Å; F1739-F1755 HydrophobicContact CB-CD2 4.25Å; F1739-F1755 HydrophobicContact CD1-CB 4.35Å; F1739-F1755 AromaticContact CD1-CD1 3.63Å; F1739-F1755 HydrophobicContact CD1-CD1 3.63Å; F1739-F1755 AromaticContact CD1-CE1 3.57Å; F1739-F1755 HydrophobicContact CD1-CE1 3.57Å; F1739-F1755 AromaticContact CE1-CD1 3.54Å; F1739-F1755 HydrophobicContact CE1-CD1 3.54Å; F1739-F1755 AromaticContact CE1-CE1 3.46Å; F1739-F1755 HydrophobicContact CE1-CE1 3.46Å; F1739-F1755 VanDerWaalsContact CE1-CE1 3.46Å; F1739-F1755 PolarHBondContact N-O 3.2Å; F1739-F1755 WeakPolarHBondContact O-CA 3.35Å; F1739-F1755 VanDerWaalsContact O-CB 3.27Å; F1739-F1755 WeakPolarHBondContact O-CB 3.27Å; F1739-F1755 PolarHBondContact O-N 3Å; F1739-D1756 WeakPolarHBondContact O-CA 3.24Å; F1739-I1757 HydrophobicContact CD2-CD1 3.99Å; F1739-I1757 HydrophobicContact CE2-CD1 3.79Å; F1739-I1757 PolarHBondContact N-O 2.97Å; F1739-I1757 PolarHBondContact O-N 2.89Å
1740	Q	66.1	Low	60.7	Low	47 Å²	47	60.2 Å²	60.2	22%	0.22	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.1	178.5	173.4	-176.1	1.5	0	0	110	Y1728 N1729 S1742 H1752 L1753 N1754 F1755 D1756	Y1728-Q1740 CarbonylContact C-O 3.47Å; Y1728-Q1740 VanDerWaalsContact C-O 3.28Å; Y1728-Q1740 VanDerWaalsContact CA-O 3.25Å; Y1728-Q1740 WeakPolarHBondContact CA-O 3.19Å; N1729-Q1740 HydrophobicContact CB-CB 4.17Å; N1729-Q1740 HydrophobicContact CB-CG 4.32Å; N1729-Q1740 PolarHBondContact N-O 2.92Å; N1729-Q1740 PolarHBondContact ND2-OE1 2.8Å; N1729-Q1740 PolarHBondContact O-N 3.02Å; Q1740-S1742 PolarHBondContact NE2-OG 2.91Å; Q1740-H1752 PolarHBondContact NE2-CE1 3.33Å; Q1740-H1752 VanDerWaalsContact NE2-CE1 3.31Å; Q1740-H1752 PolarHBondContact NE2-NE2 2.79Å; Q1740-L1753 CarbonylContact C-O 3.5Å; Q1740-L1753 VanDerWaalsContact CA-O 3.24Å; Q1740-L1753 WeakPolarHBondContact CA-O 3.28Å; Q1740-L1753 VanDerWaalsContact CB-O 3.26Å; Q1740-L1753 WeakPolarHBondContact CB-O 3.39Å; Q1740-L1753 WeakPolarHBondContact CG-O 3.3Å; Q1740-N1754 HydrophobicContact CB-CB 3.96Å; Q1740-N1754 HydrophobicContact CG-CB 4.29Å; Q1740-N1754 PolarHBondContact NE2-OD1 2.81Å; Q1740-F1755 CarbonylContact C-O 3.59Å; Q1740-F1755 VanDerWaalsContact CA-O 3.26Å; Q1740-F1755 WeakPolarHBondContact CA-O 3.3Å; Q1740-D1756 WeakPolarHBondContact CB-OD1 3.02Å; Q1740-D1756 WeakPolarHBondContact CG-OD1 3.21Å; Q1740-D1756 PolarHBondContact NE2-OD1 3.37Å; Q1740-D1756 PolarHBondContact OE1-OD1 3.26Å
1741	I	62.6	Low	60.4	Low	42.6 Å²	42.6	61 Å²	61	22%	0.218	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	113.6	167	-58.1	177.8	0	0	0	107.5	I1726 E1727 Y1728 F1739 F1751 H1752 L1753 N1754 F1755	I1726-I1741 HydrophobicContact CG2-CG2 4.37Å; E1727-I1741 CarbonylContact O-C 3.49Å; E1727-I1741 VanDerWaalsContact O-CA 3.27Å; E1727-I1741 WeakPolarHBondContact O-CA 3.42Å; E1727-I1741 WeakPolarHBondContact O-CG2 3.42Å; Y1728-I1741 HydrophobicContact CD2-CD1 4.15Å; Y1728-I1741 HydrophobicContact CD2-CG1 3.96Å; Y1728-I1741 HydrophobicContact CE2-CD1 4.35Å; Y1728-I1741 HydrophobicContact CE2-CG1 4.45Å; Y1728-I1741 HydrophobicContact CG-CG1 4.37Å; F1739-I1741 HydrophobicContact CD1-CG1 4.38Å; F1739-I1741 HydrophobicContact CE1-CD1 3.75Å; F1739-I1741 VanDerWaalsContact CE1-CD1 3.41Å; F1739-I1741 HydrophobicContact CE1-CG1 3.84Å; F1739-I1741 HydrophobicContact CE2-CD1 4.25Å; F1739-I1741 HydrophobicContact CE2-CG1 3.72Å; F1739-I1741 HydrophobicContact CZ-CD1 3.4Å; F1739-I1741 HydrophobicContact CZ-CG1 3.54Å; I1741-F1751 HydrophobicContact CB-CE1 4.25Å; I1741-F1751 HydrophobicContact CG2-CD1 4.22Å; I1741-F1751 HydrophobicContact CG2-CE1 4.18Å; I1741-F1751 VanDerWaalsContact O-CD1 3.23Å; I1741-F1751 WeakPolarHBondContact O-CD1 3.17Å; I1741-H1752 CarbonylContact O-C 3.44Å; I1741-H1752 WeakPolarHBondContact O-CA 3.3Å; I1741-H1752 PolarHBondContact O-N 2.86Å; I1741-L1753 CarbonylContact C-O 3.36Å; I1741-L1753 HydrophobicContact CB-CB 4.4Å; I1741-L1753 HydrophobicContact CB-CD1 4.46Å; I1741-L1753 HydrophobicContact CD1-CD1 4.38Å; I1741-L1753 PolarHBondContact N-O 3.01Å; I1741-L1753 PolarHBondContact O-N 2.98Å; I1741-N1754 WeakPolarHBondContact O-CA 3.36Å; I1741-F1755 HydrophobicContact CB-CB 4.3Å; I1741-F1755 PolarHBondContact N-O 2.87Å; I1741-F1755 PolarHBondContact O-N 2.82Å
1742	S	64.8	Low	60.2	Low	7.4 Å²	7.4	62.3 Å²	62.3	5%	0.052	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135	170.9	65	0	0	0	0	111.1	I1726 E1727 Q1740 F1751 H1752 L1753	I1726-S1742 CarbonylContact C-O 3.47Å; I1726-S1742 VanDerWaalsContact CA-O 3.27Å; I1726-S1742 WeakPolarHBondContact CA-O 3.3Å; E1727-S1742 WeakPolarHBondContact CA-O 3.42Å; E1727-S1742 VanDerWaalsContact CB-O 3.28Å; E1727-S1742 WeakPolarHBondContact CB-O 3.31Å; E1727-S1742 VanDerWaalsContact CB-OG 3.25Å; E1727-S1742 WeakPolarHBondContact CB-OG 3.18Å; E1727-S1742 VanDerWaalsContact CG-OG 3.25Å; E1727-S1742 WeakPolarHBondContact CG-OG 3.01Å; E1727-S1742 PolarHBondContact N-O 3.12Å; E1727-S1742 PolarHBondContact O-N 2.9Å; E1727-S1742 VanDerWaalsContact O-O 3.12Å; E1727-S1742 WeakPolarHBondContact OE2-CB 3.41Å; E1727-S1742 PolarHBondContact OE2-OG 3.02Å; E1727-S1742 VanDerWaalsContact OE2-OG 3.1Å; Q1740-S1742 PolarHBondContact NE2-OG 2.91Å; S1742-F1751 CarbonylContact C-O 3.38Å; S1742-F1751 VanDerWaalsContact C-O 3.25Å; S1742-F1751 WeakPolarHBondContact CA-O 3.23Å; S1742-F1751 WeakPolarHBondContact CB-O 3.37Å; S1742-H1752 WeakPolarHBondContact CB-ND1 2.93Å; S1742-H1752 PolarHBondContact OG-ND1 3.1Å; S1742-L1753 CarbonylContact C-O 3.57Å; S1742-L1753 WeakPolarHBondContact CA-O 2.98Å
1743	T	60	Low	60.3	Low	28 Å²	28	61.1 Å²	61.1	17%	0.172	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.5	164.2	63.9	0	0	0	0	108.7	I1725 I1726 Y1750 F1751 L1753	I1725-T1743 CarbonylContact O-C 3.43Å; I1725-T1743 VanDerWaalsContact O-CA 3.3Å; I1725-T1743 WeakPolarHBondContact O-CA 3.27Å; I1725-T1743 WeakPolarHBondContact O-CB 3.41Å; I1726-T1743 HydrophobicContact CB-CG2 4.32Å; I1726-T1743 HydrophobicContact CG1-CG2 3.96Å; I1726-T1743 HydrophobicContact CG2-CG2 4.15Å; T1743-Y1750 PolarHBondContact O-N 3.06Å; T1743-F1751 CarbonylContact C-O 3.45Å; T1743-F1751 HydrophobicContact CG2-CB 4.22Å; T1743-F1751 HydrophobicContact CG2-CD1 4.39Å; T1743-F1751 HydrophobicContact CG2-CE2 3.62Å; T1743-F1751 HydrophobicContact CG2-CZ 4.03Å; T1743-F1751 PolarHBondContact N-O 3.08Å; T1743-F1751 PolarHBondContact O-N 3.2Å; T1743-F1751 VanDerWaalsContact O-N 3.1Å; T1743-F1751 VanDerWaalsContact OG1-CB 3.3Å; T1743-F1751 WeakPolarHBondContact OG1-CB 3.2Å; T1743-F1751 PolarHBondContact OG1-N 2.99Å; T1743-L1753 PolarHBondContact N-O 3.23Å; T1743-L1753 PolarHBondContact O-N 2.82Å
1744	I	58.1	Low	60.5	Low	42.6 Å²	42.6	59.8 Å²	59.8	22%	0.218	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.5	-180	-53.6	-176.5	0	0	0	106.6	H1722 N1724 I1725 L1746 N1747 N1748	H1722-I1744 WeakPolarHBondContact O-CG2 3.5Å; N1724-I1744 CarbonylContact C-O 3.45Å; N1724-I1744 VanDerWaalsContact CA-O 3.28Å; N1724-I1744 WeakPolarHBondContact CA-O 3.33Å; N1724-I1744 PolarHBondContact N-O 2.83Å; N1724-I1744 VanDerWaalsContact N-O 3.08Å; I1725-I1744 HydrophobicContact CD1-CB 4.24Å; I1725-I1744 HydrophobicContact CD1-CD1 3.97Å; I1725-I1744 HydrophobicContact CD1-CG1 4.1Å; I1725-I1744 HydrophobicContact CG1-CB 3.94Å; I1725-I1744 HydrophobicContact CG1-CD1 4.19Å; I1725-I1744 HydrophobicContact CG1-CG1 4.28Å; I1725-I1744 PolarHBondContact N-O 3.1Å; I1725-I1744 VanDerWaalsContact N-O 3.15Å; I1725-I1744 PolarHBondContact O-N 2.92Å; I1744-L1746 HydrophobicContact CG2-CG 4.35Å; I1744-N1747 WeakPolarHBondContact CG2-O 3.18Å; I1744-N1748 CarbonylContact C-O 3.56Å; I1744-N1748 WeakPolarHBondContact CA-O 3.31Å; I1744-N1748 VanDerWaalsContact CG2-O 3.25Å; I1744-N1748 WeakPolarHBondContact CG2-O 3.39Å
1745	Y	53.2	Low	60.8	Low	113.4 Å²	113.4	58.5 Å²	58.5	45%	0.445	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.7	176.2	-157.6	-96.2	0	0	0	109.7	Q1723 N1724 N1747 N1748 P1749 Y1750 F1751	Q1723-Y1745 CarbonylContact O-C 3.53Å; Q1723-Y1745 VanDerWaalsContact O-CA 3.26Å; Q1723-Y1745 WeakPolarHBondContact O-CA 3.37Å; Q1723-Y1745 PolarHBondContact O-N 2.78Å; N1724-Y1745 HydrophobicContact CB-CD1 4.04Å; N1724-Y1745 HydrophobicContact CB-CE1 4.05Å; N1724-Y1745 VanDerWaalsContact OD1-CD1 3.26Å; N1724-Y1745 WeakPolarHBondContact OD1-CD1 3.39Å; N1724-Y1745 WeakPolarHBondContact OD1-CD2 3.43Å; Y1745-N1747 VanDerWaalsContact C-N 3.3Å; Y1745-N1747 HydrophobicContact CD1-CB 4.14Å; Y1745-N1747 VanDerWaalsContact CD1-O 3.32Å; Y1745-N1747 WeakPolarHBondContact CD1-O 3.21Å; Y1745-N1747 HydrophobicContact CE1-CB 3.47Å; Y1745-N1747 VanDerWaalsContact CE1-CB 3.47Å; Y1745-N1747 WeakPolarHBondContact CE1-O 3.13Å; Y1745-N1747 HydrophobicContact CE2-CB 4.29Å; Y1745-N1747 PolarHBondContact O-N 2.93Å; Y1745-N1748 PolarHBondContact N-O 3.19Å; Y1745-N1748 PolarHBondContact O-N 2.87Å; Y1745-N1748 VanDerWaalsContact O-N 3.14Å; Y1745-N1748 VanDerWaalsContact O-O 3.05Å; Y1745-P1749 WeakPolarHBondContact CD1-O 3.05Å; Y1745-Y1750 HydrophobicContact CG-CD2 4.48Å; Y1745-Y1750 WeakPolarHBondContact O-CA 3.03Å; Y1745-F1751 VanDerWaalsContact CB-CE1 3.46Å; Y1745-F1751 HydrophobicContact CD1-CD1 4.09Å; Y1745-F1751 AromaticContact CD1-CE1 3.82Å; Y1745-F1751 HydrophobicContact CD1-CE1 3.82Å; Y1745-F1751 HydrophobicContact CG-CD1 4.28Å; Y1745-F1751 AromaticContact CG-CE1 3.75Å; Y1745-F1751 HydrophobicContact CG-CE1 3.75Å; Y1745-F1751 HydrophobicContact CG-CZ 4.38Å; Y1745-F1751 PolarHBondContact N-O 2.83Å; Y1745-F1751 VanDerWaalsContact N-O 3.15Å; Y1745-F1751 PolarHBondContact O-N 2.73Å
1746	L	53.6	Low	61	Low	96.4 Å²	96.4	56.6 Å²	56.6	51%	0.505	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	14.3	49.1	-176.3	-68.6	171.1	0	0	0	113.8	Q1723 N1724 I1744 N1748 Y1750	Q1723-L1746 HydrophobicContact CB-CD1 3.73Å; Q1723-L1746 HydrophobicContact CG-CD1 4.03Å; Q1723-L1746 CarbonylContact O-C 3.55Å; Q1723-L1746 WeakPolarHBondContact O-CA 3.41Å; Q1723-L1746 WeakPolarHBondContact O-CB 3.5Å; Q1723-L1746 WeakPolarHBondContact O-CD1 2.86Å; Q1723-L1746 WeakPolarHBondContact O-CG 3.48Å; Q1723-L1746 PolarHBondContact O-N 3.15Å; N1724-L1746 VanDerWaalsContact ND2-CD1 3.35Å; N1724-L1746 WeakPolarHBondContact ND2-CD1 3.21Å; N1724-L1746 WeakPolarHBondContact OD1-CG 3.44Å; N1724-L1746 PolarHBondContact OD1-N 3.02Å; N1724-L1746 VanDerWaalsContact OD1-N 3.09Å; I1744-L1746 HydrophobicContact CG2-CG 4.35Å; L1746-N1748 PolarHBondContact O-N 2.8Å; L1746-N1748 VanDerWaalsContact O-N 3.11Å; L1746-Y1750 HydrophobicContact CD2-CD2 3.81Å; L1746-Y1750 HydrophobicContact CD2-CE2 3.55Å
1747	N	51.7	Low	60.9	Low	84.4 Å²	84.4	55.6 Å²	55.6	45%	0.451	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-2.7	177.6	-80.8	-13.7	0	0	0	115.6	Y1438 N1439 H1722 Q1723 I1744 Y1745 P1749 Y1750	Y1438-N1747 HydrophobicContact CD1-CB 3.78Å; Y1438-N1747 VanDerWaalsContact CD1-O 3.27Å; Y1438-N1747 WeakPolarHBondContact CD1-O 3.41Å; Y1438-N1747 HydrophobicContact CE1-CB 3.96Å; N1439-N1747 PolarHBondContact OD1-ND2 3.09Å; N1439-N1747 VanDerWaalsContact OD1-ND2 3.09Å; H1722-N1747 PolarHBondContact O-OD1 2.86Å; Q1723-N1747 WeakPolarHBondContact CA-OD1 3.47Å; Q1723-N1747 HydrophobicContact CB-CB 4.15Å; Q1723-N1747 HydrophobicContact CG-CB 3.98Å; Q1723-N1747 WeakPolarHBondContact CG-OD1 3.19Å; Q1723-N1747 PolarHBondContact NE2-ND2 2.95Å; Q1723-N1747 PolarHBondContact NE2-OD1 2.91Å; Q1723-N1747 PolarHBondContact O-N 2.86Å; I1744-N1747 WeakPolarHBondContact CG2-O 3.18Å; Y1745-N1747 VanDerWaalsContact C-N 3.3Å; Y1745-N1747 HydrophobicContact CD1-CB 4.14Å; Y1745-N1747 VanDerWaalsContact CD1-O 3.32Å; Y1745-N1747 WeakPolarHBondContact CD1-O 3.21Å; Y1745-N1747 HydrophobicContact CE1-CB 3.47Å; Y1745-N1747 VanDerWaalsContact CE1-CB 3.47Å; Y1745-N1747 WeakPolarHBondContact CE1-O 3.13Å; Y1745-N1747 HydrophobicContact CE2-CB 4.29Å; Y1745-N1747 PolarHBondContact O-N 2.93Å; N1747-P1749 CarbonylContact O-C 3.53Å; N1747-Y1750 WeakPolarHBondContact O-CA 3.2Å; N1747-Y1750 PolarHBondContact O-N 2.82Å
1748	N	52.3	Low	60.9	Low	119.2 Å²	119.2	58 Å²	58	64%	0.637	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.2	171.6	-77.1	-20.5	0	0	0	109.1	Y1438 I1744 Y1745 L1746 Y1750	Y1438-N1748 HydrophobicContact CE1-CB 4.44Å; Y1438-N1748 WeakPolarHBondContact CE1-OD1 3.15Å; Y1438-N1748 PolarHBondContact OH-OD1 2.76Å; Y1438-N1748 VanDerWaalsContact OH-OD1 3.09Å; I1744-N1748 CarbonylContact C-O 3.56Å; I1744-N1748 WeakPolarHBondContact CA-O 3.31Å; I1744-N1748 VanDerWaalsContact CG2-O 3.25Å; I1744-N1748 WeakPolarHBondContact CG2-O 3.39Å; Y1745-N1748 PolarHBondContact N-O 3.19Å; Y1745-N1748 PolarHBondContact O-N 2.87Å; Y1745-N1748 VanDerWaalsContact O-N 3.14Å; Y1745-N1748 VanDerWaalsContact O-O 3.05Å; L1746-N1748 PolarHBondContact O-N 2.8Å; L1746-N1748 VanDerWaalsContact O-N 3.11Å; N1748-Y1750 PolarHBondContact O-N 3.06Å
1749	P	54	Low	60.6	Low	42.8 Å²	42.8	57.3 Å²	57.3	28%	0.278	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)		-76.1	139.6	129.8	18.9	-14.2	0	0	0	110.7	Y1745 N1747 F1751 F1774 P1776 W1777	Y1745-P1749 WeakPolarHBondContact CD1-O 3.05Å; N1747-P1749 CarbonylContact O-C 3.53Å; P1749-F1751 PolarHBondContact O-N 2.86Å; P1749-F1774 HydrophobicContact CB-CD1 4.36Å; P1749-F1774 HydrophobicContact CB-CE1 4.04Å; P1749-F1774 HydrophobicContact CG-CD1 4.27Å; P1749-F1774 HydrophobicContact CG-CE1 4.01Å; P1749-F1774 HydrophobicContact CG-CZ 4.4Å; P1749-P1776 HydrophobicContact CB-CB 3.58Å; P1749-P1776 HydrophobicContact CB-CG 3.63Å; P1749-P1776 HydrophobicContact CG-CB 4.27Å; P1749-P1776 HydrophobicContact CG-CG 4.04Å; P1749-P1776 WeakPolarHBondContact O-CB 3.46Å; P1749-P1776 VanDerWaalsContact O-CD 3.25Å; P1749-P1776 WeakPolarHBondContact O-CD 3.26Å; P1749-P1776 WeakPolarHBondContact O-CG 3.23Å; P1749-W1777 HydrophobicContact CB-CD2 4.33Å
1750	Y	57.5	Low	60.2	Low	100.6 Å²	100.6	58.1 Å²	58.1	40%	0.395	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	1.9	178.2	-161.1	-85.2	0	0	0	110.3	T1743 Y1745 L1746 N1747 N1748 H1752 F1774 I1775 P1776 W1777	T1743-Y1750 PolarHBondContact O-N 3.06Å; Y1745-Y1750 HydrophobicContact CG-CD2 4.48Å; Y1745-Y1750 WeakPolarHBondContact O-CA 3.03Å; L1746-Y1750 HydrophobicContact CD2-CD2 3.81Å; L1746-Y1750 HydrophobicContact CD2-CE2 3.55Å; N1747-Y1750 WeakPolarHBondContact O-CA 3.2Å; N1747-Y1750 PolarHBondContact O-N 2.82Å; N1748-Y1750 PolarHBondContact O-N 3.06Å; Y1750-H1752 HydrophobicContact CE1-CB 4.04Å; Y1750-F1774 AromaticContact CE1-CD1 3.72Å; Y1750-F1774 HydrophobicContact CE1-CD1 3.72Å; Y1750-F1774 AromaticContact CE1-CE1 3.89Å; Y1750-F1774 HydrophobicContact CE1-CE1 3.89Å; Y1750-I1775 WeakPolarHBondContact O-CG2 3.49Å; Y1750-P1776 HydrophobicContact CD1-CG 3.31Å; Y1750-P1776 HydrophobicContact CE1-CG 4.09Å; Y1750-P1776 HydrophobicContact CG-CG 3.95Å; Y1750-P1776 WeakPolarHBondContact O-CD 3.34Å; Y1750-W1777 AromaticContact CD1-CD1 3.77Å; Y1750-W1777 AromaticContact CD1-CE2 3.99Å; Y1750-W1777 AromaticContact CD1-NE1 3.51Å; Y1750-W1777 VanDerWaalsContact CD1-NE1 3.29Å; Y1750-W1777 HydrophobicContact CD2-CB 4.38Å; Y1750-W1777 AromaticContact CD2-CD1 3.45Å; Y1750-W1777 VanDerWaalsContact CD2-CD1 3.45Å; Y1750-W1777 HydrophobicContact CD2-CD2 4.42Å; Y1750-W1777 AromaticContact CD2-CG 3.87Å; Y1750-W1777 HydrophobicContact CD2-CG 3.99Å; Y1750-W1777 AromaticContact CD2-NE1 3.81Å; Y1750-W1777 AromaticContact CE1-CD1 3.69Å; Y1750-W1777 VanDerWaalsContact CE1-CD1 3.47Å; Y1750-W1777 HydrophobicContact CE1-CD2 4.2Å; Y1750-W1777 AromaticContact CE1-CE2 3.76Å; Y1750-W1777 VanDerWaalsContact CE1-CE2 3.41Å; Y1750-W1777 HydrophobicContact CE1-CG 4.42Å; Y1750-W1777 AromaticContact CE1-CZ2 3.64Å; Y1750-W1777 HydrophobicContact CE1-CZ2 3.64Å; Y1750-W1777 AromaticContact CE1-NE1 3.23Å; Y1750-W1777 VanDerWaalsContact CE1-NE1 3.28Å; Y1750-W1777 HydrophobicContact CE2-CB 4.28Å; Y1750-W1777 AromaticContact CE2-CD1 3.6Å; Y1750-W1777 AromaticContact CE2-CD2 3.81Å; Y1750-W1777 HydrophobicContact CE2-CD2 3.81Å; Y1750-W1777 AromaticContact CE2-CE2 3.89Å; Y1750-W1777 AromaticContact CE2-CG 3.69Å; Y1750-W1777 HydrophobicContact CE2-CG 3.84Å; Y1750-W1777 AromaticContact CE2-NE1 3.85Å; Y1750-W1777 AromaticContact CG-CD1 3.54Å; Y1750-W1777 HydrophobicContact CG-CG 4.36Å; Y1750-W1777 AromaticContact CG-NE1 3.76Å; Y1750-W1777 AromaticContact CZ-CD1 3.6Å; Y1750-W1777 AromaticContact CZ-CD2 3.67Å; Y1750-W1777 AromaticContact CZ-CE2 3.76Å; Y1750-W1777 AromaticContact CZ-CG 3.77Å; Y1750-W1777 AromaticContact CZ-CZ2 3.71Å; Y1750-W1777 AromaticContact CZ-NE1 3.48Å; Y1750-W1777 PolarHBondContact O-NE1 3.07Å
1751	F	62.2	Low	59.3	Low	52.2 Å²	52.2	63.1 Å²	63.1	23%	0.229	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.8	168.6	175	-90.4	0	0	0	108.3	I1741 S1742 T1743 Y1745 P1749 L1753 L1773 F1774 I1775	I1741-F1751 HydrophobicContact CB-CE1 4.25Å; I1741-F1751 HydrophobicContact CG2-CD1 4.22Å; I1741-F1751 HydrophobicContact CG2-CE1 4.18Å; I1741-F1751 VanDerWaalsContact O-CD1 3.23Å; I1741-F1751 WeakPolarHBondContact O-CD1 3.17Å; S1742-F1751 CarbonylContact C-O 3.38Å; S1742-F1751 VanDerWaalsContact C-O 3.25Å; S1742-F1751 WeakPolarHBondContact CA-O 3.23Å; S1742-F1751 WeakPolarHBondContact CB-O 3.37Å; T1743-F1751 CarbonylContact C-O 3.45Å; T1743-F1751 HydrophobicContact CG2-CB 4.22Å; T1743-F1751 HydrophobicContact CG2-CD1 4.39Å; T1743-F1751 HydrophobicContact CG2-CE2 3.62Å; T1743-F1751 HydrophobicContact CG2-CZ 4.03Å; T1743-F1751 PolarHBondContact N-O 3.08Å; T1743-F1751 PolarHBondContact O-N 3.2Å; T1743-F1751 VanDerWaalsContact O-N 3.1Å; T1743-F1751 VanDerWaalsContact OG1-CB 3.3Å; T1743-F1751 WeakPolarHBondContact OG1-CB 3.2Å; T1743-F1751 PolarHBondContact OG1-N 2.99Å; Y1745-F1751 VanDerWaalsContact CB-CE1 3.46Å; Y1745-F1751 HydrophobicContact CD1-CD1 4.09Å; Y1745-F1751 AromaticContact CD1-CE1 3.82Å; Y1745-F1751 HydrophobicContact CD1-CE1 3.82Å; Y1745-F1751 HydrophobicContact CG-CD1 4.28Å; Y1745-F1751 AromaticContact CG-CE1 3.75Å; Y1745-F1751 HydrophobicContact CG-CE1 3.75Å; Y1745-F1751 HydrophobicContact CG-CZ 4.38Å; Y1745-F1751 PolarHBondContact N-O 2.83Å; Y1745-F1751 VanDerWaalsContact N-O 3.15Å; Y1745-F1751 PolarHBondContact O-N 2.73Å; P1749-F1751 PolarHBondContact O-N 2.86Å; F1751-L1753 HydrophobicContact CD1-CD1 4.32Å; F1751-L1753 HydrophobicContact CD1-CG 4.32Å; F1751-L1753 HydrophobicContact CE1-CB 3.64Å; F1751-L1753 HydrophobicContact CE1-CD1 4.09Å; F1751-L1753 HydrophobicContact CE1-CG 4.31Å; F1751-L1753 HydrophobicContact CZ-CB 3.98Å; F1751-L1753 HydrophobicContact CZ-CD1 4.35Å; F1751-L1773 HydrophobicContact CD1-CD1 4.28Å; F1751-L1773 HydrophobicContact CD2-CD1 4.03Å; F1751-L1773 HydrophobicContact CE1-CD1 3.98Å; F1751-L1773 HydrophobicContact CE1-CG 4.09Å; F1751-L1773 HydrophobicContact CE2-CD1 3.7Å; F1751-L1773 HydrophobicContact CE2-CD2 4.29Å; F1751-L1773 HydrophobicContact CE2-CG 4.14Å; F1751-L1773 HydrophobicContact CG-CD1 4.36Å; F1751-L1773 HydrophobicContact CZ-CD1 3.52Å; F1751-L1773 VanDerWaalsContact CZ-CD1 3.5Å; F1751-L1773 HydrophobicContact CZ-CD2 4.37Å; F1751-L1773 HydrophobicContact CZ-CG 3.44Å; F1751-L1773 VanDerWaalsContact CZ-CG 3.44Å; F1751-F1774 CarbonylContact C-O 3.35Å; F1751-F1774 WeakPolarHBondContact CA-O 3.11Å; F1751-F1774 VanDerWaalsContact CD2-O 3.3Å; F1751-F1774 WeakPolarHBondContact CD2-O 3.34Å; F1751-F1774 WeakPolarHBondContact CE2-O 3.46Å; F1751-I1775 HydrophobicContact CD2-CD1 4.02Å; F1751-I1775 HydrophobicContact CD2-CG1 3.87Å; F1751-I1775 HydrophobicContact CE2-CD1 4.2Å; F1751-I1775 HydrophobicContact CE2-CG1 4.27Å; F1751-I1775 HydrophobicContact CG-CG1 4.3Å
1752	H	65.2	Low	58.4	Low	56.8 Å²	56.8	67 Å²	67	26%	0.263	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	102	177.3	-177.1	-70	0	0	0	108.6	Q1740 I1741 S1742 Y1750 N1754 L1773 F1774	Q1740-H1752 PolarHBondContact NE2-CE1 3.33Å; Q1740-H1752 VanDerWaalsContact NE2-CE1 3.31Å; Q1740-H1752 PolarHBondContact NE2-NE2 2.79Å; I1741-H1752 CarbonylContact O-C 3.44Å; I1741-H1752 WeakPolarHBondContact O-CA 3.3Å; I1741-H1752 PolarHBondContact O-N 2.86Å; S1742-H1752 WeakPolarHBondContact CB-ND1 2.93Å; S1742-H1752 PolarHBondContact OG-ND1 3.1Å; Y1750-H1752 HydrophobicContact CE1-CB 4.04Å; H1752-N1754 PolarHBondContact CE1-ND2 3.21Å; H1752-N1754 VanDerWaalsContact CE1-ND2 3.28Å; H1752-N1754 PolarHBondContact CE1-OD1 3.02Å; H1752-N1754 PolarHBondContact ND1-OD1 3.37Å; H1752-L1773 CarbonylContact O-C 3.41Å; H1752-L1773 VanDerWaalsContact O-CA 3.27Å; H1752-L1773 WeakPolarHBondContact O-CA 3.19Å; H1752-F1774 WeakPolarHBondContact CA-O 3.26Å; H1752-F1774 HydrophobicContact CB-CB 4.18Å; H1752-F1774 HydrophobicContact CB-CD1 3.85Å; H1752-F1774 HydrophobicContact CB-CG 4.31Å; H1752-F1774 WeakPolarHBondContact CB-O 3.04Å; H1752-F1774 PolarHBondContact N-O 3.07Å; H1752-F1774 VanDerWaalsContact N-O 3.08Å; H1752-F1774 PolarHBondContact O-N 3.12Å
1753	L	62.6	Low	57.4	Low	36.6 Å²	36.6	71.1 Å²	71.1	19%	0.192	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.6	169.4	-158.6	152	0	0	0	107.8	F1739 Q1740 I1741 S1742 T1743 F1751 F1755 I1771 S1772 L1773	F1739-L1753 HydrophobicContact CD1-CD2 3.98Å; F1739-L1753 HydrophobicContact CE1-CD2 4Å; Q1740-L1753 CarbonylContact C-O 3.5Å; Q1740-L1753 VanDerWaalsContact CA-O 3.24Å; Q1740-L1753 WeakPolarHBondContact CA-O 3.28Å; Q1740-L1753 VanDerWaalsContact CB-O 3.26Å; Q1740-L1753 WeakPolarHBondContact CB-O 3.39Å; Q1740-L1753 WeakPolarHBondContact CG-O 3.3Å; I1741-L1753 CarbonylContact C-O 3.36Å; I1741-L1753 HydrophobicContact CB-CB 4.4Å; I1741-L1753 HydrophobicContact CB-CD1 4.46Å; I1741-L1753 HydrophobicContact CD1-CD1 4.38Å; I1741-L1753 PolarHBondContact N-O 3.01Å; I1741-L1753 PolarHBondContact O-N 2.98Å; S1742-L1753 CarbonylContact C-O 3.57Å; S1742-L1753 WeakPolarHBondContact CA-O 2.98Å; T1743-L1753 PolarHBondContact N-O 3.23Å; T1743-L1753 PolarHBondContact O-N 2.82Å; F1751-L1753 HydrophobicContact CD1-CD1 4.32Å; F1751-L1753 HydrophobicContact CD1-CG 4.32Å; F1751-L1753 HydrophobicContact CE1-CB 3.64Å; F1751-L1753 HydrophobicContact CE1-CD1 4.09Å; F1751-L1753 HydrophobicContact CE1-CG 4.31Å; F1751-L1753 HydrophobicContact CZ-CB 3.98Å; F1751-L1753 HydrophobicContact CZ-CD1 4.35Å; L1753-F1755 HydrophobicContact CB-CE2 4.33Å; L1753-F1755 HydrophobicContact CD1-CE2 4.09Å; L1753-F1755 HydrophobicContact CD2-CB 4.16Å; L1753-F1755 HydrophobicContact CD2-CD2 3.52Å; L1753-F1755 HydrophobicContact CD2-CE2 3.91Å; L1753-F1755 HydrophobicContact CG-CD2 4.02Å; L1753-F1755 HydrophobicContact CG-CE2 4.03Å; L1753-I1771 HydrophobicContact CD2-CG2 3.99Å; L1753-S1772 CarbonylContact C-O 3.39Å; L1753-S1772 VanDerWaalsContact CA-O 3.26Å; L1753-S1772 WeakPolarHBondContact CA-O 3.34Å; L1753-L1773 HydrophobicContact CB-CD1 4.15Å; L1753-L1773 HydrophobicContact CD1-CD1 4.26Å; L1753-L1773 HydrophobicContact CG-CD1 4.27Å; L1753-L1773 VanDerWaalsContact N-CD1 3.34Å
1754	N	68.6	Low	56.5	Low	35.4 Å²	35.4	76.4 Å²	76.4	19%	0.189	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.2	169.8	-172.7	46	0	0	0	108.7	K1738 F1739 Q1740 I1741 H1752 D1756 N1770 I1771 S1772	K1738-N1754 VanDerWaalsContact CE-OD1 3.29Å; K1738-N1754 WeakPolarHBondContact CE-OD1 3.48Å; F1739-N1754 CarbonylContact O-C 3.51Å; F1739-N1754 VanDerWaalsContact O-C 3.31Å; F1739-N1754 VanDerWaalsContact O-CA 3.27Å; F1739-N1754 WeakPolarHBondContact O-CA 3.3Å; Q1740-N1754 HydrophobicContact CB-CB 3.96Å; Q1740-N1754 HydrophobicContact CG-CB 4.29Å; Q1740-N1754 PolarHBondContact NE2-OD1 2.81Å; I1741-N1754 WeakPolarHBondContact O-CA 3.36Å; H1752-N1754 PolarHBondContact CE1-ND2 3.21Å; H1752-N1754 VanDerWaalsContact CE1-ND2 3.28Å; H1752-N1754 PolarHBondContact CE1-OD1 3.02Å; H1752-N1754 PolarHBondContact ND1-OD1 3.37Å; N1754-D1756 PolarHBondContact ND2-OD2 2.93Å; N1754-N1770 CarbonylContact C-O 3.44Å; N1754-N1770 PolarHBondContact ND2-ND2 3Å; N1754-I1771 CarbonylContact O-C 3.47Å; N1754-I1771 WeakPolarHBondContact O-CA 3.25Å; N1754-S1772 WeakPolarHBondContact CB-O 3.29Å; N1754-S1772 WeakPolarHBondContact CB-OG 3.32Å; N1754-S1772 PolarHBondContact N-O 2.83Å; N1754-S1772 PolarHBondContact ND2-OG 2.86Å; N1754-S1772 CarbonylContact O-C 3.5Å; N1754-S1772 PolarHBondContact O-N 3.11Å; N1754-S1772 PolarHBondContact O-OG 2.75Å
1755	F	64.2	Low	56	Low	54.8 Å²	54.8	80.1 Å²	80.1	24%	0.24	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.4	177.7	-145.4	-89	0	0	0	107.3	K1738 F1739 Q1740 I1741 L1753 I1757 N1770 I1771	K1738-F1755 CarbonylContact C-O 3.52Å; K1738-F1755 VanDerWaalsContact CA-O 3.27Å; K1738-F1755 WeakPolarHBondContact CA-O 3.37Å; K1738-F1755 WeakPolarHBondContact CB-O 3.49Å; K1738-F1755 WeakPolarHBondContact CG-O 2.78Å; F1739-F1755 CarbonylContact C-O 3.55Å; F1739-F1755 HydrophobicContact CB-CB 4.18Å; F1739-F1755 HydrophobicContact CB-CD1 4.13Å; F1739-F1755 HydrophobicContact CB-CD2 4.25Å; F1739-F1755 HydrophobicContact CD1-CB 4.35Å; F1739-F1755 AromaticContact CD1-CD1 3.63Å; F1739-F1755 HydrophobicContact CD1-CD1 3.63Å; F1739-F1755 AromaticContact CD1-CE1 3.57Å; F1739-F1755 HydrophobicContact CD1-CE1 3.57Å; F1739-F1755 AromaticContact CE1-CD1 3.54Å; F1739-F1755 HydrophobicContact CE1-CD1 3.54Å; F1739-F1755 AromaticContact CE1-CE1 3.46Å; F1739-F1755 HydrophobicContact CE1-CE1 3.46Å; F1739-F1755 VanDerWaalsContact CE1-CE1 3.46Å; F1739-F1755 PolarHBondContact N-O 3.2Å; F1739-F1755 WeakPolarHBondContact O-CA 3.35Å; F1739-F1755 VanDerWaalsContact O-CB 3.27Å; F1739-F1755 WeakPolarHBondContact O-CB 3.27Å; F1739-F1755 PolarHBondContact O-N 3Å; Q1740-F1755 CarbonylContact C-O 3.59Å; Q1740-F1755 VanDerWaalsContact CA-O 3.26Å; Q1740-F1755 WeakPolarHBondContact CA-O 3.3Å; I1741-F1755 HydrophobicContact CB-CB 4.3Å; I1741-F1755 PolarHBondContact N-O 2.87Å; I1741-F1755 PolarHBondContact O-N 2.82Å; L1753-F1755 HydrophobicContact CB-CE2 4.33Å; L1753-F1755 HydrophobicContact CD1-CE2 4.09Å; L1753-F1755 HydrophobicContact CD2-CB 4.16Å; L1753-F1755 HydrophobicContact CD2-CD2 3.52Å; L1753-F1755 HydrophobicContact CD2-CE2 3.91Å; L1753-F1755 HydrophobicContact CG-CD2 4.02Å; L1753-F1755 HydrophobicContact CG-CE2 4.03Å; F1755-I1757 HydrophobicContact CB-CG1 4.46Å; F1755-I1757 HydrophobicContact CD1-CD1 4.31Å; F1755-I1757 HydrophobicContact CD1-CG1 4.28Å; F1755-I1757 HydrophobicContact CE1-CB 4.41Å; F1755-I1757 HydrophobicContact CE1-CD1 3.49Å; F1755-I1757 HydrophobicContact CE1-CG1 3.67Å; F1755-I1757 HydrophobicContact CE2-CD1 4.06Å; F1755-I1757 HydrophobicContact CE2-CG1 4.45Å; F1755-I1757 HydrophobicContact CZ-CD1 3.23Å; F1755-I1757 HydrophobicContact CZ-CG1 3.84Å; F1755-N1770 CarbonylContact C-O 3.43Å; F1755-N1770 VanDerWaalsContact C-O 3.27Å; F1755-N1770 VanDerWaalsContact CA-O 3.26Å; F1755-N1770 WeakPolarHBondContact CA-O 3.21Å; F1755-I1771 HydrophobicContact CD1-CD1 4.08Å; F1755-I1771 HydrophobicContact CD1-CG1 3.65Å; F1755-I1771 HydrophobicContact CD2-CB 4.46Å; F1755-I1771 HydrophobicContact CD2-CD1 3.76Å; F1755-I1771 HydrophobicContact CD2-CG1 3.64Å; F1755-I1771 HydrophobicContact CD2-CG2 4.24Å; F1755-I1771 HydrophobicContact CE1-CB 4.1Å; F1755-I1771 HydrophobicContact CE1-CD1 3.8Å; F1755-I1771 HydrophobicContact CE1-CG1 3.68Å; F1755-I1771 HydrophobicContact CE1-CG2 3.94Å; F1755-I1771 HydrophobicContact CE2-CB 4.26Å; F1755-I1771 HydrophobicContact CE2-CD1 3.73Å; F1755-I1771 HydrophobicContact CE2-CG1 4.1Å; F1755-I1771 HydrophobicContact CE2-CG2 3.37Å; F1755-I1771 HydrophobicContact CG-CG1 4.36Å; F1755-I1771 HydrophobicContact CZ-CB 3.89Å; F1755-I1771 HydrophobicContact CZ-CD1 3.51Å; F1755-I1771 HydrophobicContact CZ-CG1 3.96Å; F1755-I1771 HydrophobicContact CZ-CG2 3.2Å
1756	D	67	Low	55.8	Low	34.6 Å²	34.6	76.5 Å²	76.5	19%	0.185	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	107.4	-177.5	-141.2	-10.4	0	0	0	109.4	Q1736 K1738 F1739 Q1740 N1754 Y1768 S1769 N1770	Q1736-D1756 PolarHBondContact NE2-OD1 3Å; Q1736-D1756 PolarHBondContact NE2-OD2 2.77Å; K1738-D1756 HydrophobicContact CB-CB 4.4Å; K1738-D1756 WeakPolarHBondContact CB-OD1 3.1Å; K1738-D1756 HydrophobicContact CD-CB 4.23Å; K1738-D1756 WeakPolarHBondContact CD-OD1 3.27Å; K1738-D1756 WeakPolarHBondContact CE-OD1 3.42Å; K1738-D1756 WeakPolarHBondContact CE-OD2 3.39Å; K1738-D1756 HydrophobicContact CG-CB 3.9Å; K1738-D1756 VanDerWaalsContact CG-CG 3.49Å; K1738-D1756 WeakPolarHBondContact CG-OD1 3.28Å; K1738-D1756 IonicContact NZ-OD1 2.62Å; K1738-D1756 PolarHBondContact NZ-OD1 2.92Å; K1738-D1756 IonicContact NZ-OD2 3.44Å; K1738-D1756 PolarHBondContact NZ-OD2 2.79Å; F1739-D1756 WeakPolarHBondContact O-CA 3.24Å; Q1740-D1756 WeakPolarHBondContact CB-OD1 3.02Å; Q1740-D1756 WeakPolarHBondContact CG-OD1 3.21Å; Q1740-D1756 PolarHBondContact NE2-OD1 3.37Å; Q1740-D1756 PolarHBondContact OE1-OD1 3.26Å; N1754-D1756 PolarHBondContact ND2-OD2 2.93Å; D1756-Y1768 HydrophobicContact CB-CE1 4.36Å; D1756-Y1768 VanDerWaalsContact O-CD1 3.27Å; D1756-Y1768 WeakPolarHBondContact O-CD1 3.24Å; D1756-S1769 CarbonylContact O-C 3.41Å; D1756-S1769 VanDerWaalsContact O-C 3.29Å; D1756-S1769 VanDerWaalsContact O-CA 3.27Å; D1756-S1769 WeakPolarHBondContact O-CA 3.31Å; D1756-N1770 HydrophobicContact CB-CB 4.15Å; D1756-N1770 WeakPolarHBondContact CB-O 3.29Å; D1756-N1770 PolarHBondContact N-O 3.17Å; D1756-N1770 WeakPolarHBondContact O-CB 3.33Å; D1756-N1770 PolarHBondContact O-N 3.06Å; D1756-N1770 PolarHBondContact OD2-ND2 3.28Å
1757	I	63.2	Low	55.9	Low	25.8 Å²	25.8	74.3 Å²	74.3	13%	0.132	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.9	-179.9	-59.6	-177.1	0	0	0	109.6	Q1736 T1737 K1738 F1739 F1755 F1759 L1764 P1766 Y1768	Q1736-I1757 CarbonylContact C-O 3.48Å; Q1736-I1757 VanDerWaalsContact CA-O 3.23Å; Q1736-I1757 WeakPolarHBondContact CA-O 3.3Å; Q1736-I1757 VanDerWaalsContact CG-O 3.31Å; Q1736-I1757 WeakPolarHBondContact CG-O 3.22Å; T1737-I1757 CarbonylContact C-O 3.5Å; T1737-I1757 PolarHBondContact N-O 3.2Å; T1737-I1757 PolarHBondContact O-N 2.87Å; T1737-I1757 WeakPolarHBondContact OG1-CB 3.3Å; K1738-I1757 WeakPolarHBondContact CA-O 3.26Å; F1739-I1757 HydrophobicContact CD2-CD1 3.99Å; F1739-I1757 HydrophobicContact CE2-CD1 3.79Å; F1739-I1757 PolarHBondContact N-O 2.97Å; F1739-I1757 PolarHBondContact O-N 2.89Å; F1755-I1757 HydrophobicContact CB-CG1 4.46Å; F1755-I1757 HydrophobicContact CD1-CD1 4.31Å; F1755-I1757 HydrophobicContact CD1-CG1 4.28Å; F1755-I1757 HydrophobicContact CE1-CB 4.41Å; F1755-I1757 HydrophobicContact CE1-CD1 3.49Å; F1755-I1757 HydrophobicContact CE1-CG1 3.67Å; F1755-I1757 HydrophobicContact CE2-CD1 4.06Å; F1755-I1757 HydrophobicContact CE2-CG1 4.45Å; F1755-I1757 HydrophobicContact CZ-CD1 3.23Å; F1755-I1757 HydrophobicContact CZ-CG1 3.84Å; I1757-F1759 HydrophobicContact CB-CE2 4.19Å; I1757-F1759 HydrophobicContact CB-CZ 4.29Å; I1757-F1759 HydrophobicContact CG2-CD1 4.36Å; I1757-F1759 HydrophobicContact CG2-CD2 4.13Å; I1757-F1759 HydrophobicContact CG2-CE1 3.84Å; I1757-F1759 HydrophobicContact CG2-CE2 3.49Å; I1757-F1759 VanDerWaalsContact CG2-CE2 3.48Å; I1757-F1759 HydrophobicContact CG2-CG 4.46Å; I1757-F1759 HydrophobicContact CG2-CZ 3.33Å; I1757-L1764 HydrophobicContact CG2-CD2 4.39Å; I1757-P1766 HydrophobicContact CG2-CB 3.6Å; I1757-P1766 VanDerWaalsContact CG2-CB 3.5Å; I1757-Y1768 CarbonylContact C-O 3.43Å; I1757-Y1768 WeakPolarHBondContact CA-O 3.39Å; I1757-Y1768 VanDerWaalsContact CG2-O 3.25Å; I1757-Y1768 WeakPolarHBondContact CG2-O 3.46Å
1758	Q	62	Low	56.3	Low	79.2 Å²	79.2	73.2 Å²	73.2	37%	0.37	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.9	170.8	-65.2	-178.8	-30.9	0	0	111.2	N1735 Q1736 T1737 K1738 P1766 I1767 Y1768	N1735-Q1758 CarbonylContact O-C 3.4Å; N1735-Q1758 WeakPolarHBondContact O-CA 3.31Å; N1735-Q1758 WeakPolarHBondContact O-CB 3.38Å; Q1736-Q1758 HydrophobicContact CB-CG 4.11Å; Q1736-Q1758 VanDerWaalsContact CD-CG 3.49Å; Q1736-Q1758 VanDerWaalsContact CD-NE2 3.25Å; Q1736-Q1758 HydrophobicContact CG-CG 3.85Å; Q1736-Q1758 VanDerWaalsContact NE2-NE2 3.12Å; T1737-Q1758 WeakPolarHBondContact O-CA 3.2Å; K1738-Q1758 HydrophobicContact CB-CG 4.16Å; K1738-Q1758 HydrophobicContact CD-CG 4.44Å; K1738-Q1758 HydrophobicContact CG-CG 3.87Å; Q1758-P1766 CarbonylContact O-C 3.41Å; Q1758-P1766 VanDerWaalsContact O-C 3.29Å; Q1758-P1766 WeakPolarHBondContact O-CA 3.36Å; Q1758-I1767 HydrophobicContact CB-CB 4.4Å; Q1758-I1767 PolarHBondContact O-N 3.11Å; Q1758-Y1768 HydrophobicContact CG-CD1 4.27Å; Q1758-Y1768 HydrophobicContact CG-CG 4.43Å; Q1758-Y1768 PolarHBondContact N-O 3.17Å; Q1758-Y1768 PolarHBondContact O-N 3.33Å
1759	F	59.5	Low	56.6	Low	55.4 Å²	55.4	68 Å²	68	24%	0.243	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	154.5	-179.1	-59.6	-86.8	0	0	0	111.7	N1735 Q1736 T1737 I1757 L1764 F1765 P1766 I1767	N1735-F1759 WeakPolarHBondContact CA-O 3.45Å; N1735-F1759 WeakPolarHBondContact CB-O 3.36Å; N1735-F1759 PolarHBondContact O-N 3.01Å; Q1736-F1759 VanDerWaalsContact CA-O 3.26Å; Q1736-F1759 WeakPolarHBondContact CA-O 3.46Å; T1737-F1759 HydrophobicContact CG2-CD2 4.5Å; T1737-F1759 HydrophobicContact CG2-CE2 3.88Å; T1737-F1759 HydrophobicContact CG2-CZ 4.12Å; T1737-F1759 PolarHBondContact N-O 2.84Å; T1737-F1759 VanDerWaalsContact N-O 3.09Å; T1737-F1759 PolarHBondContact O-N 2.83Å; T1737-F1759 WeakPolarHBondContact OG1-CB 3.48Å; T1737-F1759 WeakPolarHBondContact OG1-CD2 3.15Å; T1737-F1759 WeakPolarHBondContact OG1-CE2 3.35Å; I1757-F1759 HydrophobicContact CB-CE2 4.19Å; I1757-F1759 HydrophobicContact CB-CZ 4.29Å; I1757-F1759 HydrophobicContact CG2-CD1 4.36Å; I1757-F1759 HydrophobicContact CG2-CD2 4.13Å; I1757-F1759 HydrophobicContact CG2-CE1 3.84Å; I1757-F1759 HydrophobicContact CG2-CE2 3.49Å; I1757-F1759 VanDerWaalsContact CG2-CE2 3.48Å; I1757-F1759 HydrophobicContact CG2-CG 4.46Å; I1757-F1759 HydrophobicContact CG2-CZ 3.33Å; F1759-L1764 VanDerWaalsContact CD1-O 3.3Å; F1759-L1764 WeakPolarHBondContact CD1-O 3.35Å; F1759-L1764 HydrophobicContact CE1-CD2 3.99Å; F1759-L1764 HydrophobicContact CE1-CG 4.04Å; F1759-L1764 HydrophobicContact CZ-CD2 4.24Å; F1759-F1765 VanDerWaalsContact CA-O 3.3Å; F1759-F1765 WeakPolarHBondContact CA-O 3.22Å; F1759-P1766 HydrophobicContact CD1-CB 4.33Å; F1759-P1766 HydrophobicContact CE1-CB 4.18Å; F1759-I1767 VanDerWaalsContact C-CD1 3.46Å; F1759-I1767 VanDerWaalsContact O-CD1 3.32Å; F1759-I1767 WeakPolarHBondContact O-CD1 3.28Å
1760	I	55.1	Low	57	Low	65.4 Å²	65.4	67.4 Å²	67.4	34%	0.335	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.6	163.7	-72.4	172	0	0	0	108	N1735 Q1736 T1762 L1763 F1765 I1767 I1790	N1735-I1760 VanDerWaalsContact O-CA 3.22Å; N1735-I1760 WeakPolarHBondContact O-CA 3.01Å; N1735-I1760 WeakPolarHBondContact O-CG1 3.49Å; Q1736-I1760 HydrophobicContact CG-CG1 3.97Å; I1760-T1762 VanDerWaalsContact CG2-OG1 3.25Å; I1760-T1762 WeakPolarHBondContact CG2-OG1 3.24Å; I1760-T1762 PolarHBondContact O-N 2.92Å; I1760-L1763 HydrophobicContact CG2-CB 3.98Å; I1760-L1763 HydrophobicContact CG2-CD1 4.31Å; I1760-L1763 HydrophobicContact CG2-CG 4.21Å; I1760-L1763 CarbonylContact O-C 3.55Å; I1760-L1763 PolarHBondContact O-N 2.92Å; I1760-L1763 VanDerWaalsContact O-O 3.06Å; I1760-F1765 PolarHBondContact N-O 2.75Å; I1760-I1767 HydrophobicContact CB-CD1 4.04Å; I1760-I1767 HydrophobicContact CB-CG1 4.21Å; I1760-I1767 HydrophobicContact CD1-CD1 3.52Å; I1760-I1767 VanDerWaalsContact CD1-CD1 3.4Å; I1760-I1767 HydrophobicContact CD1-CG1 4.24Å; I1760-I1767 HydrophobicContact CG1-CD1 3.49Å; I1760-I1767 HydrophobicContact CG1-CG1 3.79Å; I1760-I1767 VanDerWaalsContact CG1-CG1 3.48Å; I1760-I1790 HydrophobicContact CD1-CD1 3.9Å; I1760-I1790 VanDerWaalsContact CD1-CD1 3.47Å
1761	E	47.8	Very low	57	Low	151.6 Å²	151.6	64.7 Å²	64.7	71%	0.708	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-37.8	-12.3	-178.2	-68	-176.6	169.7	0	0	114.9	N1735 L1763	N1735-E1761 VanDerWaalsContact CG-CG 3.48Å; N1735-E1761 WeakPolarHBondContact ND2-CG 3.3Å; N1735-E1761 PolarHBondContact ND2-OE1 3.05Å; N1735-E1761 PolarHBondContact O-N 3.47Å; N1735-E1761 VanDerWaalsContact OD1-CA 3.3Å; N1735-E1761 WeakPolarHBondContact OD1-CA 3.18Å; N1735-E1761 WeakPolarHBondContact OD1-CG 3.34Å; N1735-E1761 PolarHBondContact OD1-N 3.41Å; E1761-L1763 VanDerWaalsContact C-N 3.3Å; E1761-L1763 PolarHBondContact O-N 2.98Å; E1761-L1763 VanDerWaalsContact O-N 3.09Å
1762	T	44.6	Very low	57	Low	124 Å²	124	63.6 Å²	63.6	76%	0.761	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-9.2	-178.4	58.4	0	0	0	0	115.3	I1760	I1760-T1762 VanDerWaalsContact CG2-OG1 3.25Å; I1760-T1762 WeakPolarHBondContact CG2-OG1 3.24Å; I1760-T1762 PolarHBondContact O-N 2.92Å
1763	L	42.8	Very low	56.7	Low	93.2 Å²	93.2	62.7 Å²	62.7	49%	0.488	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	106.5	-174.4	-72.9	165.5	0	0	0	111.4	I1760 E1761 F1765 I1790	I1760-L1763 HydrophobicContact CG2-CB 3.98Å; I1760-L1763 HydrophobicContact CG2-CD1 4.31Å; I1760-L1763 HydrophobicContact CG2-CG 4.21Å; I1760-L1763 CarbonylContact O-C 3.55Å; I1760-L1763 PolarHBondContact O-N 2.92Å; I1760-L1763 VanDerWaalsContact O-O 3.06Å; E1761-L1763 VanDerWaalsContact C-N 3.3Å; E1761-L1763 PolarHBondContact O-N 2.98Å; E1761-L1763 VanDerWaalsContact O-N 3.09Å; L1763-F1765 HydrophobicContact CB-CD2 4.25Å; L1763-F1765 HydrophobicContact CB-CE2 4.28Å; L1763-F1765 HydrophobicContact CD2-CD2 4.25Å; L1763-F1765 HydrophobicContact CD2-CE2 4.08Å; L1763-F1765 PolarHBondContact O-N 3.13Å; L1763-F1765 VanDerWaalsContact O-N 3.15Å; L1763-I1790 HydrophobicContact CD1-CD1 3.37Å
1764	L	41.4	Very low	56.6	Low	139.6 Å²	139.6	64.1 Å²	64.1	73%	0.731	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	26.1	175.1	-77.9	157.5	0	0	0	113.5	I1757 F1759	I1757-L1764 HydrophobicContact CG2-CD2 4.39Å; F1759-L1764 VanDerWaalsContact CD1-O 3.3Å; F1759-L1764 WeakPolarHBondContact CD1-O 3.35Å; F1759-L1764 HydrophobicContact CE1-CD2 3.99Å; F1759-L1764 HydrophobicContact CE1-CG 4.04Å; F1759-L1764 HydrophobicContact CZ-CD2 4.24Å
1765	F	47.6	Very low	56.2	Low	120 Å²	120	63.7 Å²	63.7	53%	0.526	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.1	174.8	-82	-79.3	0	0	0	111.2	F1385 F1759 I1760 L1763 I1767 L1788	F1385-F1765 HydrophobicContact CZ-CE1 4.22Å; F1385-F1765 HydrophobicContact CZ-CZ 4.45Å; F1759-F1765 VanDerWaalsContact CA-O 3.3Å; F1759-F1765 WeakPolarHBondContact CA-O 3.22Å; I1760-F1765 PolarHBondContact N-O 2.75Å; L1763-F1765 HydrophobicContact CB-CD2 4.25Å; L1763-F1765 HydrophobicContact CB-CE2 4.28Å; L1763-F1765 HydrophobicContact CD2-CD2 4.25Å; L1763-F1765 HydrophobicContact CD2-CE2 4.08Å; L1763-F1765 PolarHBondContact O-N 3.13Å; L1763-F1765 VanDerWaalsContact O-N 3.15Å; F1765-I1767 PolarHBondContact O-N 3.05Å; F1765-L1788 HydrophobicContact CB-CD1 4.19Å
1766	P	48.7	Very low	55.5	Low	37.8 Å²	37.8	62.7 Å²	62.7	25%	0.245	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	119.8	175.1	29.1	-33.3	0	0	0	110.6	I1757 Q1758 F1759 Y1768 L1788	I1757-P1766 HydrophobicContact CG2-CB 3.6Å; I1757-P1766 VanDerWaalsContact CG2-CB 3.5Å; Q1758-P1766 CarbonylContact O-C 3.41Å; Q1758-P1766 VanDerWaalsContact O-C 3.29Å; Q1758-P1766 WeakPolarHBondContact O-CA 3.36Å; F1759-P1766 HydrophobicContact CD1-CB 4.33Å; F1759-P1766 HydrophobicContact CE1-CB 4.18Å; P1766-Y1768 VanDerWaalsContact C-N 3.31Å; P1766-Y1768 PolarHBondContact O-N 3.42Å; P1766-L1788 WeakPolarHBondContact O-CD1 3.32Å; P1766-L1788 VanDerWaalsContact O-CG 3.27Å; P1766-L1788 WeakPolarHBondContact O-CG 3.26Å
1767	I	57.1	Low	54.8	Low	51.8 Å²	51.8	67.8 Å²	67.8	27%	0.266	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-32.9	172	-53.7	167.6	0	0	0	110.4	Q1758 F1759 I1760 F1765 Q1787 L1788	Q1758-I1767 HydrophobicContact CB-CB 4.4Å; Q1758-I1767 PolarHBondContact O-N 3.11Å; F1759-I1767 VanDerWaalsContact C-CD1 3.46Å; F1759-I1767 VanDerWaalsContact O-CD1 3.32Å; F1759-I1767 WeakPolarHBondContact O-CD1 3.28Å; I1760-I1767 HydrophobicContact CB-CD1 4.04Å; I1760-I1767 HydrophobicContact CB-CG1 4.21Å; I1760-I1767 HydrophobicContact CD1-CD1 3.52Å; I1760-I1767 VanDerWaalsContact CD1-CD1 3.4Å; I1760-I1767 HydrophobicContact CD1-CG1 4.24Å; I1760-I1767 HydrophobicContact CG1-CD1 3.49Å; I1760-I1767 HydrophobicContact CG1-CG1 3.79Å; I1760-I1767 VanDerWaalsContact CG1-CG1 3.48Å; F1765-I1767 PolarHBondContact O-N 3.05Å; I1767-Q1787 CarbonylContact O-C 3.49Å; I1767-Q1787 VanDerWaalsContact O-CA 3.31Å; I1767-Q1787 WeakPolarHBondContact O-CA 3.33Å; I1767-L1788 HydrophobicContact CG2-CB 4.3Å; I1767-L1788 WeakPolarHBondContact CG2-O 3.42Å; I1767-L1788 CarbonylContact O-C 3.07Å; I1767-L1788 VanDerWaalsContact O-CA 3.32Å; I1767-L1788 WeakPolarHBondContact O-CA 3.45Å; I1767-L1788 VanDerWaalsContact O-CB 3.29Å; I1767-L1788 WeakPolarHBondContact O-CB 3.5Å; I1767-L1788 PolarHBondContact O-N 2.99Å
1768	Y	58.5	Low	54.3	Low	60.4 Å²	60.4	69.3 Å²	69.3	24%	0.237	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.1	179.1	-170	-101.4	0	0	0	108.4	D1756 I1757 Q1758 P1766 N1770 K1785 E1786 Q1787	D1756-Y1768 HydrophobicContact CB-CE1 4.36Å; D1756-Y1768 VanDerWaalsContact O-CD1 3.27Å; D1756-Y1768 WeakPolarHBondContact O-CD1 3.24Å; I1757-Y1768 CarbonylContact C-O 3.43Å; I1757-Y1768 WeakPolarHBondContact CA-O 3.39Å; I1757-Y1768 VanDerWaalsContact CG2-O 3.25Å; I1757-Y1768 WeakPolarHBondContact CG2-O 3.46Å; Q1758-Y1768 HydrophobicContact CG-CD1 4.27Å; Q1758-Y1768 HydrophobicContact CG-CG 4.43Å; Q1758-Y1768 PolarHBondContact N-O 3.17Å; Q1758-Y1768 PolarHBondContact O-N 3.33Å; P1766-Y1768 VanDerWaalsContact C-N 3.31Å; P1766-Y1768 PolarHBondContact O-N 3.42Å; Y1768-N1770 HydrophobicContact CD1-CB 4.33Å; Y1768-N1770 HydrophobicContact CE1-CB 3.51Å; Y1768-N1770 HydrophobicContact CE2-CB 4.46Å; Y1768-N1770 WeakPolarHBondContact OH-CB 3.15Å; Y1768-N1770 PolarHBondContact OH-ND2 2.79Å; Y1768-K1785 HydrophobicContact CE2-CD 4.32Å; Y1768-K1785 WeakPolarHBondContact OH-CD 3.29Å; Y1768-K1785 VanDerWaalsContact OH-CE 3.27Å; Y1768-K1785 WeakPolarHBondContact OH-CE 3.31Å; Y1768-K1785 PolarHBondContact OH-NZ 2.82Å; Y1768-E1786 CarbonylContact C-O 3.44Å; Y1768-E1786 VanDerWaalsContact CA-O 3.29Å; Y1768-E1786 WeakPolarHBondContact CA-O 3.31Å; Y1768-E1786 WeakPolarHBondContact CD2-O 3.44Å; Y1768-Q1787 HydrophobicContact CD2-CB 4.11Å; Y1768-Q1787 HydrophobicContact CD2-CG 4.26Å; Y1768-Q1787 HydrophobicContact CE2-CB 4.18Å; Y1768-Q1787 HydrophobicContact CE2-CG 4.22Å
1769	S	58.2	Low	53.6	Low	9.8 Å²	9.8	69.3 Å²	69.3	7%	0.069	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.3	169.5	89.9	0	0	0	0	108.4	D1756 K1785 E1786	D1756-S1769 CarbonylContact O-C 3.41Å; D1756-S1769 VanDerWaalsContact O-C 3.29Å; D1756-S1769 VanDerWaalsContact O-CA 3.27Å; D1756-S1769 WeakPolarHBondContact O-CA 3.31Å; S1769-K1785 CarbonylContact O-C 3.47Å; S1769-K1785 VanDerWaalsContact O-CA 3.26Å; S1769-K1785 WeakPolarHBondContact O-CA 3.21Å; S1769-E1786 WeakPolarHBondContact CB-OE2 3.29Å; S1769-E1786 PolarHBondContact N-O 3.07Å; S1769-E1786 PolarHBondContact O-N 3.06Å; S1769-E1786 VanDerWaalsContact O-O 3.05Å; S1769-E1786 VanDerWaalsContact OG-CB 3.27Å; S1769-E1786 WeakPolarHBondContact OG-CB 3.28Å; S1769-E1786 WeakPolarHBondContact OG-CG 3.48Å; S1769-E1786 PolarHBondContact OG-OE2 2.89Å
1770	N	62.5	Low	53.1	Low	30.8 Å²	30.8	67.9 Å²	67.9	17%	0.165	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	104.8	178.3	-175	24.3	0	0	0	109.4	N1754 F1755 D1756 Y1768 S1772 I1783 V1784 K1785	N1754-N1770 CarbonylContact C-O 3.44Å; N1754-N1770 PolarHBondContact ND2-ND2 3Å; F1755-N1770 CarbonylContact C-O 3.43Å; F1755-N1770 VanDerWaalsContact C-O 3.27Å; F1755-N1770 VanDerWaalsContact CA-O 3.26Å; F1755-N1770 WeakPolarHBondContact CA-O 3.21Å; D1756-N1770 HydrophobicContact CB-CB 4.15Å; D1756-N1770 WeakPolarHBondContact CB-O 3.29Å; D1756-N1770 PolarHBondContact N-O 3.17Å; D1756-N1770 WeakPolarHBondContact O-CB 3.33Å; D1756-N1770 PolarHBondContact O-N 3.06Å; D1756-N1770 PolarHBondContact OD2-ND2 3.28Å; Y1768-N1770 HydrophobicContact CD1-CB 4.33Å; Y1768-N1770 HydrophobicContact CE1-CB 3.51Å; Y1768-N1770 HydrophobicContact CE2-CB 4.46Å; Y1768-N1770 WeakPolarHBondContact OH-CB 3.15Å; Y1768-N1770 PolarHBondContact OH-ND2 2.79Å; N1770-S1772 PolarHBondContact O-N 3.3Å; N1770-I1783 WeakPolarHBondContact OD1-CG2 3.41Å; N1770-V1784 CarbonylContact C-O 3.5Å; N1770-V1784 WeakPolarHBondContact CA-O 3.33Å; N1770-V1784 PolarHBondContact OD1-O 3Å; N1770-K1785 HydrophobicContact CB-CG 4.13Å; N1770-K1785 WeakPolarHBondContact OD1-CE 3.33Å; N1770-K1785 VanDerWaalsContact OD1-CG 3.3Å; N1770-K1785 WeakPolarHBondContact OD1-CG 3.24Å
1771	I	59.3	Low	52.8	Low	43.4 Å²	43.4	70.5 Å²	70.5	22%	0.223	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	105.5	179.2	-51.2	179.1	0	0	0	107.6	L1753 N1754 F1755 I1783 V1784	L1753-I1771 HydrophobicContact CD2-CG2 3.99Å; N1754-I1771 CarbonylContact O-C 3.47Å; N1754-I1771 WeakPolarHBondContact O-CA 3.25Å; F1755-I1771 HydrophobicContact CD1-CD1 4.08Å; F1755-I1771 HydrophobicContact CD1-CG1 3.65Å; F1755-I1771 HydrophobicContact CD2-CB 4.46Å; F1755-I1771 HydrophobicContact CD2-CD1 3.76Å; F1755-I1771 HydrophobicContact CD2-CG1 3.64Å; F1755-I1771 HydrophobicContact CD2-CG2 4.24Å; F1755-I1771 HydrophobicContact CE1-CB 4.1Å; F1755-I1771 HydrophobicContact CE1-CD1 3.8Å; F1755-I1771 HydrophobicContact CE1-CG1 3.68Å; F1755-I1771 HydrophobicContact CE1-CG2 3.94Å; F1755-I1771 HydrophobicContact CE2-CB 4.26Å; F1755-I1771 HydrophobicContact CE2-CD1 3.73Å; F1755-I1771 HydrophobicContact CE2-CG1 4.1Å; F1755-I1771 HydrophobicContact CE2-CG2 3.37Å; F1755-I1771 HydrophobicContact CG-CG1 4.36Å; F1755-I1771 HydrophobicContact CZ-CB 3.89Å; F1755-I1771 HydrophobicContact CZ-CD1 3.51Å; F1755-I1771 HydrophobicContact CZ-CG1 3.96Å; F1755-I1771 HydrophobicContact CZ-CG2 3.2Å; I1771-I1783 CarbonylContact O-C 3.37Å; I1771-I1783 VanDerWaalsContact O-CA 3.27Å; I1771-I1783 WeakPolarHBondContact O-CA 3.27Å; I1771-V1784 HydrophobicContact CB-CB 4.36Å; I1771-V1784 HydrophobicContact CB-CG2 4.01Å; I1771-V1784 PolarHBondContact N-O 3.05Å; I1771-V1784 PolarHBondContact O-N 3.01Å; I1771-V1784 VanDerWaalsContact O-N 3.16Å
1772	S	61.5	Low	53	Low	29.4 Å²	29.4	65.6 Å²	65.6	21%	0.206	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.2	175.1	58.3	0	0	0	0	110.8	L1753 N1754 N1770 F1782	L1753-S1772 CarbonylContact C-O 3.39Å; L1753-S1772 VanDerWaalsContact CA-O 3.26Å; L1753-S1772 WeakPolarHBondContact CA-O 3.34Å; N1754-S1772 WeakPolarHBondContact CB-O 3.29Å; N1754-S1772 WeakPolarHBondContact CB-OG 3.32Å; N1754-S1772 PolarHBondContact N-O 2.83Å; N1754-S1772 PolarHBondContact ND2-OG 2.86Å; N1754-S1772 CarbonylContact O-C 3.5Å; N1754-S1772 PolarHBondContact O-N 3.11Å; N1754-S1772 PolarHBondContact O-OG 2.75Å; N1770-S1772 PolarHBondContact O-N 3.3Å; S1772-F1782 CarbonylContact C-O 3.48Å; S1772-F1782 WeakPolarHBondContact CA-O 3.26Å; S1772-F1782 WeakPolarHBondContact CB-O 3.4Å
1773	L	59.2	Low	53.3	Low	37 Å²	37	61.5 Å²	61.5	19%	0.194	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.1	174.8	177.2	77.4	0	0	0	108.9	I1391 F1751 H1752 L1753 I1775 L1780 R1781 F1782	I1391-L1773 HydrophobicContact CD1-CB 4.33Å; I1391-L1773 HydrophobicContact CD1-CD2 3.37Å; I1391-L1773 HydrophobicContact CD1-CG 4.4Å; F1751-L1773 HydrophobicContact CD1-CD1 4.28Å; F1751-L1773 HydrophobicContact CD2-CD1 4.03Å; F1751-L1773 HydrophobicContact CE1-CD1 3.98Å; F1751-L1773 HydrophobicContact CE1-CG 4.09Å; F1751-L1773 HydrophobicContact CE2-CD1 3.7Å; F1751-L1773 HydrophobicContact CE2-CD2 4.29Å; F1751-L1773 HydrophobicContact CE2-CG 4.14Å; F1751-L1773 HydrophobicContact CG-CD1 4.36Å; F1751-L1773 HydrophobicContact CZ-CD1 3.52Å; F1751-L1773 VanDerWaalsContact CZ-CD1 3.5Å; F1751-L1773 HydrophobicContact CZ-CD2 4.37Å; F1751-L1773 HydrophobicContact CZ-CG 3.44Å; F1751-L1773 VanDerWaalsContact CZ-CG 3.44Å; H1752-L1773 CarbonylContact O-C 3.41Å; H1752-L1773 VanDerWaalsContact O-CA 3.27Å; H1752-L1773 WeakPolarHBondContact O-CA 3.19Å; L1753-L1773 HydrophobicContact CB-CD1 4.15Å; L1753-L1773 HydrophobicContact CD1-CD1 4.26Å; L1753-L1773 HydrophobicContact CG-CD1 4.27Å; L1753-L1773 VanDerWaalsContact N-CD1 3.34Å; L1773-I1775 HydrophobicContact CD1-CD1 4.11Å; L1773-I1775 HydrophobicContact CD1-CG1 4Å; L1773-I1775 HydrophobicContact CD2-CD1 3.83Å; L1773-I1775 HydrophobicContact CD2-CG1 4.17Å; L1773-I1775 HydrophobicContact CG-CD1 4.1Å; L1773-I1775 HydrophobicContact CG-CG1 4.12Å; L1773-L1780 HydrophobicContact CB-CD2 3.72Å; L1773-L1780 HydrophobicContact CD2-CD2 3.98Å; L1773-L1780 HydrophobicContact CG-CD2 3.92Å; L1773-L1780 WeakPolarHBondContact O-CD2 3.33Å; L1773-R1781 CarbonylContact O-C 3.48Å; L1773-R1781 WeakPolarHBondContact O-CA 3.34Å; L1773-F1782 CarbonylContact C-O 3.55Å; L1773-F1782 HydrophobicContact CB-CB 4.14Å; L1773-F1782 HydrophobicContact CB-CD1 4.18Å; L1773-F1782 HydrophobicContact CD2-CB 4.04Å; L1773-F1782 HydrophobicContact CD2-CD1 4.3Å; L1773-F1782 HydrophobicContact CD2-CG 4.17Å; L1773-F1782 HydrophobicContact CG-CB 4.47Å; L1773-F1782 PolarHBondContact N-O 3.06Å; L1773-F1782 WeakPolarHBondContact O-CA 3.23Å; L1773-F1782 VanDerWaalsContact O-CB 3.22Å; L1773-F1782 WeakPolarHBondContact O-CB 3.4Å; L1773-F1782 PolarHBondContact O-N 3.19Å; L1773-F1782 VanDerWaalsContact O-N 3.12Å; L1773-F1782 VanDerWaalsContact O-O 3.13Å
1774	F	60.7	Low	53.8	Low	67 Å²	67	57.9 Å²	57.9	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.9	-179.5	-176.7	-113.7	0	0	0	109.5	F1436 P1749 Y1750 F1751 H1752 P1776 L1780 R1781	F1436-F1774 HydrophobicContact CB-CE1 4.43Å; F1436-F1774 HydrophobicContact CB-CE2 3.84Å; F1436-F1774 HydrophobicContact CB-CZ 3.47Å; F1436-F1774 VanDerWaalsContact CB-CZ 3.47Å; F1436-F1774 AromaticContact CD1-CE2 3.41Å; F1436-F1774 HydrophobicContact CD1-CE2 3.41Å; F1436-F1774 VanDerWaalsContact CD1-CE2 3.41Å; F1436-F1774 AromaticContact CD1-CZ 3.85Å; F1436-F1774 HydrophobicContact CD1-CZ 3.85Å; F1436-F1774 AromaticContact CD2-CD2 3.79Å; F1436-F1774 HydrophobicContact CD2-CD2 3.79Å; F1436-F1774 AromaticContact CD2-CE2 3.17Å; F1436-F1774 HydrophobicContact CD2-CE2 3.17Å; F1436-F1774 AromaticContact CD2-CZ 3.66Å; F1436-F1774 HydrophobicContact CD2-CZ 3.66Å; F1436-F1774 AromaticContact CE1-CE2 3.8Å; F1436-F1774 HydrophobicContact CE1-CE2 3.8Å; F1436-F1774 AromaticContact CE2-CD2 3.93Å; F1436-F1774 HydrophobicContact CE2-CD2 3.93Å; F1436-F1774 AromaticContact CE2-CE2 3.62Å; F1436-F1774 HydrophobicContact CE2-CE2 3.62Å; F1436-F1774 HydrophobicContact CG-CD2 4.16Å; F1436-F1774 HydrophobicContact CG-CE1 4.48Å; F1436-F1774 AromaticContact CG-CE2 3.1Å; F1436-F1774 HydrophobicContact CG-CE2 3.1Å; F1436-F1774 AromaticContact CG-CZ 3.31Å; F1436-F1774 HydrophobicContact CG-CZ 3.31Å; F1436-F1774 HydrophobicContact CZ-CD2 4.36Å; F1436-F1774 AromaticContact CZ-CE2 3.91Å; F1436-F1774 HydrophobicContact CZ-CE2 3.91Å; P1749-F1774 HydrophobicContact CB-CD1 4.36Å; P1749-F1774 HydrophobicContact CB-CE1 4.04Å; P1749-F1774 HydrophobicContact CG-CD1 4.27Å; P1749-F1774 HydrophobicContact CG-CE1 4.01Å; P1749-F1774 HydrophobicContact CG-CZ 4.4Å; Y1750-F1774 AromaticContact CE1-CD1 3.72Å; Y1750-F1774 HydrophobicContact CE1-CD1 3.72Å; Y1750-F1774 AromaticContact CE1-CE1 3.89Å; Y1750-F1774 HydrophobicContact CE1-CE1 3.89Å; F1751-F1774 CarbonylContact C-O 3.35Å; F1751-F1774 WeakPolarHBondContact CA-O 3.11Å; F1751-F1774 VanDerWaalsContact CD2-O 3.3Å; F1751-F1774 WeakPolarHBondContact CD2-O 3.34Å; F1751-F1774 WeakPolarHBondContact CE2-O 3.46Å; H1752-F1774 WeakPolarHBondContact CA-O 3.26Å; H1752-F1774 HydrophobicContact CB-CB 4.18Å; H1752-F1774 HydrophobicContact CB-CD1 3.85Å; H1752-F1774 HydrophobicContact CB-CG 4.31Å; H1752-F1774 WeakPolarHBondContact CB-O 3.04Å; H1752-F1774 PolarHBondContact N-O 3.07Å; H1752-F1774 VanDerWaalsContact N-O 3.08Å; H1752-F1774 PolarHBondContact O-N 3.12Å; F1774-P1776 HydrophobicContact CD1-CG 3.83Å; F1774-P1776 HydrophobicContact CD2-CG 3.93Å; F1774-P1776 HydrophobicContact CE1-CB 3.86Å; F1774-P1776 HydrophobicContact CE1-CG 3.73Å; F1774-P1776 HydrophobicContact CE2-CB 4.27Å; F1774-P1776 HydrophobicContact CE2-CG 4.09Å; F1774-P1776 HydrophobicContact CG-CG 4.19Å; F1774-P1776 HydrophobicContact CZ-CB 3.86Å; F1774-P1776 HydrophobicContact CZ-CG 3.94Å; F1774-P1776 WeakPolarHBondContact O-CD 3.35Å; F1774-L1780 CarbonylContact C-O 3.41Å; F1774-L1780 WeakPolarHBondContact CA-O 3.34Å; F1774-L1780 WeakPolarHBondContact CD2-O 3.37Å; F1774-L1780 VanDerWaalsContact CG-O 3.31Å; F1774-L1780 WeakPolarHBondContact CG-O 3.39Å; F1774-R1781 HydrophobicContact CB-CG 4.45Å; F1774-R1781 HydrophobicContact CD2-CB 3.9Å; F1774-R1781 HydrophobicContact CD2-CG 3.79Å; F1774-R1781 VanDerWaalsContact CD2-CG 3.42Å; F1774-R1781 HydrophobicContact CE2-CB 4.18Å; F1774-R1781 HydrophobicContact CE2-CG 4.12Å; F1774-R1781 HydrophobicContact CG-CG 4.37Å
1775	I	58.5	Low	54.3	Low	25.8 Å²	25.8	56 Å²	56	13%	0.132	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	82.8	-174.3	-59.6	177	0	0	0	107.8	Y1750 F1751 L1773 W1777 N1778 D1779 L1780	Y1750-I1775 WeakPolarHBondContact O-CG2 3.49Å; F1751-I1775 HydrophobicContact CD2-CD1 4.02Å; F1751-I1775 HydrophobicContact CD2-CG1 3.87Å; F1751-I1775 HydrophobicContact CE2-CD1 4.2Å; F1751-I1775 HydrophobicContact CE2-CG1 4.27Å; F1751-I1775 HydrophobicContact CG-CG1 4.3Å; L1773-I1775 HydrophobicContact CD1-CD1 4.11Å; L1773-I1775 HydrophobicContact CD1-CG1 4Å; L1773-I1775 HydrophobicContact CD2-CD1 3.83Å; L1773-I1775 HydrophobicContact CD2-CG1 4.17Å; L1773-I1775 HydrophobicContact CG-CD1 4.1Å; L1773-I1775 HydrophobicContact CG-CG1 4.12Å; I1775-W1777 VanDerWaalsContact C-N 3.29Å; I1775-W1777 HydrophobicContact CG2-CD2 4.07Å; I1775-W1777 VanDerWaalsContact CG2-CE2 3.48Å; I1775-W1777 HydrophobicContact CG2-CG 4.3Å; I1775-W1777 HydrophobicContact CG2-CH2 4.34Å; I1775-W1777 HydrophobicContact CG2-CZ2 3.97Å; I1775-W1777 VanDerWaalsContact CG2-NE1 3.28Å; I1775-W1777 PolarHBondContact O-N 2.87Å; I1775-N1778 HydrophobicContact CB-CB 4.44Å; I1775-N1778 HydrophobicContact CG2-CB 3.91Å; I1775-N1778 CarbonylContact O-C 3.13Å; I1775-N1778 VanDerWaalsContact O-C 3.3Å; I1775-N1778 VanDerWaalsContact O-CA 3.26Å; I1775-N1778 WeakPolarHBondContact O-CA 3.15Å; I1775-N1778 PolarHBondContact O-N 3.03Å; I1775-D1779 PolarHBondContact O-N 3.1Å; I1775-L1780 HydrophobicContact CB-CB 4.22Å; I1775-L1780 HydrophobicContact CB-CD2 3.95Å; I1775-L1780 HydrophobicContact CB-CG 4.47Å; I1775-L1780 HydrophobicContact CD1-CD2 4.13Å; I1775-L1780 HydrophobicContact CG1-CB 4.4Å; I1775-L1780 HydrophobicContact CG1-CD2 3.96Å; I1775-L1780 PolarHBondContact N-O 3.05Å; I1775-L1780 PolarHBondContact O-N 2.92Å; I1775-L1780 VanDerWaalsContact O-N 3.1Å
1776	P	50.7	Low	54.4	Low	34.8 Å²	34.8	52.7 Å²	52.7	23%	0.226	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-67.9	-22.9	-167.1	-9.4	13.2	0	0	0	116.2	F1436 P1749 Y1750 F1774 N1778 D1779	F1436-P1776 HydrophobicContact CB-CB 4.26Å; F1436-P1776 HydrophobicContact CB-CG 4.13Å; F1436-P1776 HydrophobicContact CD2-CG 4.37Å; P1749-P1776 HydrophobicContact CB-CB 3.58Å; P1749-P1776 HydrophobicContact CB-CG 3.63Å; P1749-P1776 HydrophobicContact CG-CB 4.27Å; P1749-P1776 HydrophobicContact CG-CG 4.04Å; P1749-P1776 WeakPolarHBondContact O-CB 3.46Å; P1749-P1776 VanDerWaalsContact O-CD 3.25Å; P1749-P1776 WeakPolarHBondContact O-CD 3.26Å; P1749-P1776 WeakPolarHBondContact O-CG 3.23Å; Y1750-P1776 HydrophobicContact CD1-CG 3.31Å; Y1750-P1776 HydrophobicContact CE1-CG 4.09Å; Y1750-P1776 HydrophobicContact CG-CG 3.95Å; Y1750-P1776 WeakPolarHBondContact O-CD 3.34Å; F1774-P1776 HydrophobicContact CD1-CG 3.83Å; F1774-P1776 HydrophobicContact CD2-CG 3.93Å; F1774-P1776 HydrophobicContact CE1-CB 3.86Å; F1774-P1776 HydrophobicContact CE1-CG 3.73Å; F1774-P1776 HydrophobicContact CE2-CB 4.27Å; F1774-P1776 HydrophobicContact CE2-CG 4.09Å; F1774-P1776 HydrophobicContact CG-CG 4.19Å; F1774-P1776 HydrophobicContact CZ-CB 3.86Å; F1774-P1776 HydrophobicContact CZ-CG 3.94Å; F1774-P1776 WeakPolarHBondContact O-CD 3.35Å; P1776-N1778 VanDerWaalsContact C-N 3.32Å; P1776-N1778 PolarHBondContact O-N 3.08Å; P1776-N1778 VanDerWaalsContact O-N 3.07Å; P1776-D1779 WeakPolarHBondContact O-CA 3.29Å; P1776-D1779 PolarHBondContact O-N 3Å; P1776-D1779 VanDerWaalsContact O-N 3.14Å
1777	W	52.4	Low	54.7	Low	142.2 Å²	142.2	55 Å²	55	54%	0.539	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-71	-15.5	171.6	58.3	-60.3	0	0	0	113.7	P1749 Y1750 I1775 D1779 F1811	P1749-W1777 HydrophobicContact CB-CD2 4.33Å; Y1750-W1777 AromaticContact CD1-CD1 3.77Å; Y1750-W1777 AromaticContact CD1-CE2 3.99Å; Y1750-W1777 AromaticContact CD1-NE1 3.51Å; Y1750-W1777 VanDerWaalsContact CD1-NE1 3.29Å; Y1750-W1777 HydrophobicContact CD2-CB 4.38Å; Y1750-W1777 AromaticContact CD2-CD1 3.45Å; Y1750-W1777 VanDerWaalsContact CD2-CD1 3.45Å; Y1750-W1777 HydrophobicContact CD2-CD2 4.42Å; Y1750-W1777 AromaticContact CD2-CG 3.87Å; Y1750-W1777 HydrophobicContact CD2-CG 3.99Å; Y1750-W1777 AromaticContact CD2-NE1 3.81Å; Y1750-W1777 AromaticContact CE1-CD1 3.69Å; Y1750-W1777 VanDerWaalsContact CE1-CD1 3.47Å; Y1750-W1777 HydrophobicContact CE1-CD2 4.2Å; Y1750-W1777 AromaticContact CE1-CE2 3.76Å; Y1750-W1777 VanDerWaalsContact CE1-CE2 3.41Å; Y1750-W1777 HydrophobicContact CE1-CG 4.42Å; Y1750-W1777 AromaticContact CE1-CZ2 3.64Å; Y1750-W1777 HydrophobicContact CE1-CZ2 3.64Å; Y1750-W1777 AromaticContact CE1-NE1 3.23Å; Y1750-W1777 VanDerWaalsContact CE1-NE1 3.28Å; Y1750-W1777 HydrophobicContact CE2-CB 4.28Å; Y1750-W1777 AromaticContact CE2-CD1 3.6Å; Y1750-W1777 AromaticContact CE2-CD2 3.81Å; Y1750-W1777 HydrophobicContact CE2-CD2 3.81Å; Y1750-W1777 AromaticContact CE2-CE2 3.89Å; Y1750-W1777 AromaticContact CE2-CG 3.69Å; Y1750-W1777 HydrophobicContact CE2-CG 3.84Å; Y1750-W1777 AromaticContact CE2-NE1 3.85Å; Y1750-W1777 AromaticContact CG-CD1 3.54Å; Y1750-W1777 HydrophobicContact CG-CG 4.36Å; Y1750-W1777 AromaticContact CG-NE1 3.76Å; Y1750-W1777 AromaticContact CZ-CD1 3.6Å; Y1750-W1777 AromaticContact CZ-CD2 3.67Å; Y1750-W1777 AromaticContact CZ-CE2 3.76Å; Y1750-W1777 AromaticContact CZ-CG 3.77Å; Y1750-W1777 AromaticContact CZ-CZ2 3.71Å; Y1750-W1777 AromaticContact CZ-NE1 3.48Å; Y1750-W1777 PolarHBondContact O-NE1 3.07Å; I1775-W1777 VanDerWaalsContact C-N 3.29Å; I1775-W1777 HydrophobicContact CG2-CD2 4.07Å; I1775-W1777 VanDerWaalsContact CG2-CE2 3.48Å; I1775-W1777 HydrophobicContact CG2-CG 4.3Å; I1775-W1777 HydrophobicContact CG2-CH2 4.34Å; I1775-W1777 HydrophobicContact CG2-CZ2 3.97Å; I1775-W1777 VanDerWaalsContact CG2-NE1 3.28Å; I1775-W1777 PolarHBondContact O-N 2.87Å; W1777-D1779 VanDerWaalsContact C-N 3.31Å; W1777-F1811 WeakPolarHBondContact O-CZ 3.44Å
1778	N	52	Low	54.3	Low	56.6 Å²	56.6	54 Å²	54	30%	0.303	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-116	27.8	171.3	-118.3	26.4	0	0	0	110.6	S1369 F1393 L1400 I1775 P1776 L1780 Q1807 F1811	S1369-N1778 PolarHBondContact OG-ND2 2.74Å; F1393-N1778 HydrophobicContact CB-CB 3.59Å; F1393-N1778 VanDerWaalsContact CB-ND2 3.27Å; F1393-N1778 WeakPolarHBondContact CB-ND2 3.36Å; F1393-N1778 HydrophobicContact CD1-CB 3.68Å; F1393-N1778 WeakPolarHBondContact CD1-OD1 3.36Å; F1393-N1778 VanDerWaalsContact CD2-C 3.43Å; F1393-N1778 HydrophobicContact CD2-CB 3.97Å; F1393-N1778 WeakPolarHBondContact CD2-O 3.2Å; F1393-N1778 VanDerWaalsContact CE1-CA 3.48Å; F1393-N1778 HydrophobicContact CE1-CB 4.2Å; F1393-N1778 HydrophobicContact CE2-CB 4.45Å; F1393-N1778 WeakPolarHBondContact CE2-O 3.42Å; F1393-N1778 HydrophobicContact CG-CB 3.49Å; F1393-N1778 VanDerWaalsContact CG-CB 3.49Å; F1393-N1778 VanDerWaalsContact CG-CG 3.5Å; F1393-N1778 VanDerWaalsContact CZ-C 3.41Å; L1400-N1778 VanDerWaalsContact CD1-O 3.32Å; L1400-N1778 WeakPolarHBondContact CD1-O 3.21Å; I1775-N1778 HydrophobicContact CB-CB 4.44Å; I1775-N1778 HydrophobicContact CG2-CB 3.91Å; I1775-N1778 CarbonylContact O-C 3.13Å; I1775-N1778 VanDerWaalsContact O-C 3.3Å; I1775-N1778 VanDerWaalsContact O-CA 3.26Å; I1775-N1778 WeakPolarHBondContact O-CA 3.15Å; I1775-N1778 PolarHBondContact O-N 3.03Å; P1776-N1778 VanDerWaalsContact C-N 3.32Å; P1776-N1778 PolarHBondContact O-N 3.08Å; P1776-N1778 VanDerWaalsContact O-N 3.07Å; N1778-L1780 HydrophobicContact CB-CB 4.14Å; N1778-L1780 HydrophobicContact CB-CD1 4.03Å; N1778-L1780 HydrophobicContact CB-CG 4.07Å; N1778-L1780 PolarHBondContact O-N 2.85Å; N1778-Q1807 PolarHBondContact O-NE2 3.08Å; N1778-F1811 HydrophobicContact CB-CE1 4.47Å; N1778-F1811 HydrophobicContact CB-CZ 4.16Å; N1778-F1811 WeakPolarHBondContact OD1-CE1 3.39Å; N1778-F1811 WeakPolarHBondContact OD1-CZ 3Å
1779	D	47.9	Very low	53.9	Low	79 Å²	79	54 Å²	54	42%	0.422	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	31.7	21.5	-178.4	-75.3	-48.5	0	0	0	115.7	F1393 L1434 Q1435 F1436 I1775 P1776 W1777 R1781 I1805 N1806 Q1807 S1808	F1393-D1779 HydrophobicContact CE2-CB 3.81Å; F1393-D1779 HydrophobicContact CZ-CB 4Å; L1434-D1779 CarbonylContact C-O 3.45Å; L1434-D1779 VanDerWaalsContact CB-O 3.24Å; L1434-D1779 WeakPolarHBondContact CB-O 3.43Å; L1434-D1779 WeakPolarHBondContact O-CB 3.48Å; Q1435-D1779 WeakPolarHBondContact CA-O 3.45Å; Q1435-D1779 VanDerWaalsContact CA-OD1 3.24Å; Q1435-D1779 WeakPolarHBondContact CA-OD1 3.44Å; Q1435-D1779 HydrophobicContact CB-CB 4.25Å; Q1435-D1779 HydrophobicContact CG-CB 3.61Å; Q1435-D1779 WeakPolarHBondContact CG-OD1 3.44Å; Q1435-D1779 VanDerWaalsContact CG-OD2 3.22Å; Q1435-D1779 WeakPolarHBondContact CG-OD2 3.43Å; Q1435-D1779 PolarHBondContact N-O 3.29Å; F1436-D1779 WeakPolarHBondContact CE2-O 3.42Å; F1436-D1779 PolarHBondContact N-OD1 2.75Å; I1775-D1779 PolarHBondContact O-N 3.1Å; P1776-D1779 WeakPolarHBondContact O-CA 3.29Å; P1776-D1779 PolarHBondContact O-N 3Å; P1776-D1779 VanDerWaalsContact O-N 3.14Å; W1777-D1779 VanDerWaalsContact C-N 3.31Å; D1779-R1781 PolarHBondContact O-N 2.87Å; D1779-I1805 WeakPolarHBondContact O-CA 3.4Å; D1779-N1806 HydrophobicContact CB-CB 3.79Å; D1779-N1806 WeakPolarHBondContact O-CB 3.03Å; D1779-N1806 PolarHBondContact O-N 2.59Å; D1779-N1806 VanDerWaalsContact O-N 3.1Å; D1779-Q1807 HydrophobicContact CB-CG 3.94Å; D1779-Q1807 WeakPolarHBondContact OD2-CG 2.95Å; D1779-Q1807 PolarHBondContact OD2-NE2 2.99Å; D1779-S1808 WeakPolarHBondContact OD2-CB 3.3Å; D1779-S1808 PolarHBondContact OD2-OG 3.41Å
1780	L	48.1	Very low	53.3	Low	26.8 Å²	26.8	57.7 Å²	57.7	14%	0.14	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.3	-174.8	-145.9	153.4	0	0	0	110.5	I1391 L1400 I1402 L1773 F1774 I1775 N1778 F1782 F1804 I1805	I1391-L1780 HydrophobicContact CB-CD1 4.27Å; I1391-L1780 HydrophobicContact CD1-CD1 4.33Å; I1391-L1780 HydrophobicContact CG1-CD1 4.25Å; I1391-L1780 HydrophobicContact CG2-CD1 3.16Å; L1400-L1780 HydrophobicContact CD1-CB 3.51Å; L1400-L1780 HydrophobicContact CD1-CD1 3.43Å; L1400-L1780 VanDerWaalsContact CD1-CD1 3.43Å; L1400-L1780 HydrophobicContact CD1-CG 3.9Å; L1400-L1780 VanDerWaalsContact CD2-CA 3.48Å; L1400-L1780 HydrophobicContact CD2-CB 3.53Å; L1400-L1780 HydrophobicContact CD2-CD1 3.52Å; L1400-L1780 HydrophobicContact CD2-CG 3.48Å; L1400-L1780 VanDerWaalsContact CD2-CG 3.48Å; L1400-L1780 HydrophobicContact CG-CB 4.01Å; L1400-L1780 HydrophobicContact CG-CD1 3.74Å; L1400-L1780 HydrophobicContact CG-CG 4.12Å; I1402-L1780 HydrophobicContact CD1-CD1 3.44Å; I1402-L1780 VanDerWaalsContact CD1-CD1 3.44Å; I1402-L1780 HydrophobicContact CD1-CG 3.86Å; I1402-L1780 HydrophobicContact CG1-CD1 3.8Å; L1773-L1780 HydrophobicContact CB-CD2 3.72Å; L1773-L1780 HydrophobicContact CD2-CD2 3.98Å; L1773-L1780 HydrophobicContact CG-CD2 3.92Å; L1773-L1780 WeakPolarHBondContact O-CD2 3.33Å; F1774-L1780 CarbonylContact C-O 3.41Å; F1774-L1780 WeakPolarHBondContact CA-O 3.34Å; F1774-L1780 WeakPolarHBondContact CD2-O 3.37Å; F1774-L1780 VanDerWaalsContact CG-O 3.31Å; F1774-L1780 WeakPolarHBondContact CG-O 3.39Å; I1775-L1780 HydrophobicContact CB-CB 4.22Å; I1775-L1780 HydrophobicContact CB-CD2 3.95Å; I1775-L1780 HydrophobicContact CB-CG 4.47Å; I1775-L1780 HydrophobicContact CD1-CD2 4.13Å; I1775-L1780 HydrophobicContact CG1-CB 4.4Å; I1775-L1780 HydrophobicContact CG1-CD2 3.96Å; I1775-L1780 PolarHBondContact N-O 3.05Å; I1775-L1780 PolarHBondContact O-N 2.92Å; I1775-L1780 VanDerWaalsContact O-N 3.1Å; N1778-L1780 HydrophobicContact CB-CB 4.14Å; N1778-L1780 HydrophobicContact CB-CD1 4.03Å; N1778-L1780 HydrophobicContact CB-CG 4.07Å; N1778-L1780 PolarHBondContact O-N 2.85Å; L1780-F1782 HydrophobicContact CD2-CB 3.92Å; L1780-F1804 CarbonylContact C-O 3.55Å; L1780-F1804 WeakPolarHBondContact CA-O 3.18Å; L1780-I1805 HydrophobicContact CB-CG1 4.28Å; L1780-I1805 HydrophobicContact CD1-CD1 4.15Å; L1780-I1805 HydrophobicContact CD1-CG1 4.4Å; L1780-I1805 HydrophobicContact CD2-CG2 3.61Å; L1780-I1805 HydrophobicContact CG-CG1 4.3Å
1781	R	49.8	Very low	52.4	Low	119.8 Å²	119.8	60.6 Å²	60.6	45%	0.452	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	99.7	167.1	-153.9	-179.7	-161.9	-178.8	2.3	108.9	L1434 F1436 L1773 F1774 D1779 I1783 L1802 I1803 F1804 I1805 N1806	L1434-R1781 HydrophobicContact CD1-CB 3.82Å; L1434-R1781 WeakPolarHBondContact CD1-O 3.44Å; F1436-R1781 HydrophobicContact CD2-CB 4.49Å; F1436-R1781 HydrophobicContact CE1-CB 4.24Å; F1436-R1781 HydrophobicContact CE2-CB 3.41Å; F1436-R1781 VanDerWaalsContact CE2-CB 3.41Å; F1436-R1781 HydrophobicContact CE2-CG 4.49Å; F1436-R1781 HydrophobicContact CZ-CB 3.26Å; F1436-R1781 HydrophobicContact CZ-CG 4.01Å; L1773-R1781 CarbonylContact O-C 3.48Å; L1773-R1781 WeakPolarHBondContact O-CA 3.34Å; F1774-R1781 HydrophobicContact CB-CG 4.45Å; F1774-R1781 HydrophobicContact CD2-CB 3.9Å; F1774-R1781 HydrophobicContact CD2-CG 3.79Å; F1774-R1781 VanDerWaalsContact CD2-CG 3.42Å; F1774-R1781 HydrophobicContact CE2-CB 4.18Å; F1774-R1781 HydrophobicContact CE2-CG 4.12Å; F1774-R1781 HydrophobicContact CG-CG 4.37Å; D1779-R1781 PolarHBondContact O-N 2.87Å; R1781-I1783 HydrophobicContact CG-CD1 4.12Å; R1781-I1783 HydrophobicContact CG-CG1 4.25Å; R1781-L1802 HydrophobicContact CG-CD2 4.29Å; R1781-L1802 WeakPolarHBondContact O-CD2 3.2Å; R1781-I1803 WeakPolarHBondContact O-CA 3.23Å; R1781-F1804 HydrophobicContact CB-CB 4.18Å; R1781-F1804 HydrophobicContact CB-CD1 4.11Å; R1781-F1804 HydrophobicContact CB-CE1 3.97Å; R1781-F1804 PolarHBondContact N-O 2.75Å; R1781-F1804 PolarHBondContact O-N 2.71Å; R1781-F1804 VanDerWaalsContact O-O 3.12Å; R1781-I1805 WeakPolarHBondContact O-CA 3.43Å; R1781-N1806 HydrophobicContact CB-CB 4.08Å; R1781-N1806 WeakPolarHBondContact CD-ND2 3.33Å; R1781-N1806 WeakPolarHBondContact CD-OD1 3.41Å; R1781-N1806 PolarHBondContact NH1-OD1 3.43Å; R1781-N1806 PolarHBondContact O-N 2.91Å; R1781-N1806 VanDerWaalsContact O-N 3.1Å
1782	F	50.9	Low	51.6	Low	48 Å²	48	66.6 Å²	66.6	21%	0.211	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128	171.2	-174.7	-106.9	0	0	0	109.2	I1391 I1402 H1404 L1430 S1772 L1773 L1780 V1784 L1802 I1803 F1804 I1805 L1818	I1391-F1782 HydrophobicContact CD1-CD1 3.88Å; I1391-F1782 HydrophobicContact CD1-CE1 4.23Å; I1402-F1782 HydrophobicContact CB-CD2 4.3Å; I1402-F1782 HydrophobicContact CB-CE2 4.44Å; I1402-F1782 VanDerWaalsContact CD1-CA 3.44Å; I1402-F1782 HydrophobicContact CD1-CB 3.33Å; I1402-F1782 HydrophobicContact CD1-CD1 4.33Å; I1402-F1782 HydrophobicContact CD1-CD2 3.79Å; I1402-F1782 HydrophobicContact CD1-CG 3.57Å; I1402-F1782 HydrophobicContact CG2-CD1 3.71Å; I1402-F1782 HydrophobicContact CG2-CD2 3.53Å; I1402-F1782 HydrophobicContact CG2-CE1 3.6Å; I1402-F1782 HydrophobicContact CG2-CE2 3.42Å; I1402-F1782 VanDerWaalsContact CG2-CE2 3.42Å; I1402-F1782 HydrophobicContact CG2-CG 3.67Å; I1402-F1782 HydrophobicContact CG2-CZ 3.44Å; I1402-F1782 VanDerWaalsContact CG2-CZ 3.44Å; H1404-F1782 HydrophobicContact CB-CE1 4.49Å; H1404-F1782 HydrophobicContact CB-CZ 3.67Å; L1430-F1782 HydrophobicContact CD1-CE2 3.72Å; L1430-F1782 HydrophobicContact CD1-CZ 4.22Å; L1430-F1782 HydrophobicContact CD2-CD2 4.44Å; L1430-F1782 HydrophobicContact CD2-CE2 3.45Å; L1430-F1782 VanDerWaalsContact CD2-CE2 3.45Å; L1430-F1782 HydrophobicContact CD2-CZ 3.98Å; L1430-F1782 HydrophobicContact CG-CE2 4.27Å; S1772-F1782 CarbonylContact C-O 3.48Å; S1772-F1782 WeakPolarHBondContact CA-O 3.26Å; S1772-F1782 WeakPolarHBondContact CB-O 3.4Å; L1773-F1782 CarbonylContact C-O 3.55Å; L1773-F1782 HydrophobicContact CB-CB 4.14Å; L1773-F1782 HydrophobicContact CB-CD1 4.18Å; L1773-F1782 HydrophobicContact CD2-CB 4.04Å; L1773-F1782 HydrophobicContact CD2-CD1 4.3Å; L1773-F1782 HydrophobicContact CD2-CG 4.17Å; L1773-F1782 HydrophobicContact CG-CB 4.47Å; L1773-F1782 PolarHBondContact N-O 3.06Å; L1773-F1782 WeakPolarHBondContact O-CA 3.23Å; L1773-F1782 VanDerWaalsContact O-CB 3.22Å; L1773-F1782 WeakPolarHBondContact O-CB 3.4Å; L1773-F1782 PolarHBondContact O-N 3.19Å; L1773-F1782 VanDerWaalsContact O-N 3.12Å; L1773-F1782 VanDerWaalsContact O-O 3.13Å; L1780-F1782 HydrophobicContact CD2-CB 3.92Å; F1782-V1784 HydrophobicContact CD1-CG2 4.2Å; F1782-V1784 HydrophobicContact CD2-CG2 4.24Å; F1782-V1784 HydrophobicContact CE1-CB 4.38Å; F1782-V1784 HydrophobicContact CE1-CG2 3.48Å; F1782-V1784 HydrophobicContact CE2-CB 4.5Å; F1782-V1784 HydrophobicContact CE2-CG2 3.95Å; F1782-V1784 HydrophobicContact CZ-CG2 3.33Å; F1782-L1802 CarbonylContact C-O 3.54Å; F1782-L1802 WeakPolarHBondContact CA-O 3.23Å; F1782-I1803 HydrophobicContact CD2-CD1 4.01Å; F1782-I1803 HydrophobicContact CD2-CG1 3.94Å; F1782-I1803 HydrophobicContact CE2-CD1 4.37Å; F1782-I1803 HydrophobicContact CE2-CG2 4.14Å; F1782-F1804 CarbonylContact C-O 3.6Å; F1782-F1804 VanDerWaalsContact CA-O 3.25Å; F1782-F1804 WeakPolarHBondContact CA-O 3.34Å; F1782-I1805 HydrophobicContact CD2-CD1 3.87Å; F1782-I1805 HydrophobicContact CD2-CG1 3.83Å; F1782-I1805 HydrophobicContact CE2-CD1 4.24Å; F1782-I1805 HydrophobicContact CE2-CG1 4.29Å; F1782-L1818 HydrophobicContact CE2-CD2 4.12Å; F1782-L1818 HydrophobicContact CZ-CD2 4.48Å
1783	I	51.6	Low	50.7	Low	39.2 Å²	39.2	69.8 Å²	69.8	20%	0.201	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.3	171.1	-56.1	175.7	0	0	0	107.4	N1770 I1771 R1781 K1785 L1801 L1802 I1803 F1804	N1770-I1783 WeakPolarHBondContact OD1-CG2 3.41Å; I1771-I1783 CarbonylContact O-C 3.37Å; I1771-I1783 VanDerWaalsContact O-CA 3.27Å; I1771-I1783 WeakPolarHBondContact O-CA 3.27Å; R1781-I1783 HydrophobicContact CG-CD1 4.12Å; R1781-I1783 HydrophobicContact CG-CG1 4.25Å; I1783-K1785 HydrophobicContact CG2-CD 4.23Å; I1783-K1785 HydrophobicContact CG2-CG 3.91Å; I1783-L1801 CarbonylContact O-C 3.43Å; I1783-L1801 WeakPolarHBondContact O-CA 3.35Å; I1783-L1802 HydrophobicContact CB-CB 4.2Å; I1783-L1802 PolarHBondContact N-O 3.5Å; I1783-L1802 PolarHBondContact O-N 3.24Å; I1783-I1803 CarbonylContact O-C 3.5Å; I1783-I1803 VanDerWaalsContact O-CA 3.31Å; I1783-I1803 WeakPolarHBondContact O-CA 3.39Å; I1783-F1804 HydrophobicContact CB-CB 4.13Å; I1783-F1804 WeakPolarHBondContact CB-O 3.32Å; I1783-F1804 HydrophobicContact CD1-CB 4.41Å; I1783-F1804 HydrophobicContact CD1-CD1 4.07Å; I1783-F1804 WeakPolarHBondContact CD1-O 3.42Å; I1783-F1804 HydrophobicContact CG1-CD1 4.39Å; I1783-F1804 WeakPolarHBondContact CG1-O 3.19Å; I1783-F1804 PolarHBondContact N-O 2.84Å; I1783-F1804 PolarHBondContact O-N 2.83Å
1784	V	52.6	Low	49.6	Very low	17.6 Å²	17.6	69.9 Å²	69.9	11%	0.107	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.9	163.2	-178.9	0	0	0	0	107.1	H1404 L1430 N1770 I1771 F1782 E1786 N1800 L1801 L1802 I1803	H1404-V1784 HydrophobicContact CB-CG2 4.18Å; L1430-V1784 HydrophobicContact CD1-CB 4.27Å; L1430-V1784 HydrophobicContact CD1-CG1 4.06Å; L1430-V1784 HydrophobicContact CD1-CG2 3.84Å; N1770-V1784 CarbonylContact C-O 3.5Å; N1770-V1784 WeakPolarHBondContact CA-O 3.33Å; N1770-V1784 PolarHBondContact OD1-O 3Å; I1771-V1784 HydrophobicContact CB-CB 4.36Å; I1771-V1784 HydrophobicContact CB-CG2 4.01Å; I1771-V1784 PolarHBondContact N-O 3.05Å; I1771-V1784 PolarHBondContact O-N 3.01Å; I1771-V1784 VanDerWaalsContact O-N 3.16Å; F1782-V1784 HydrophobicContact CD1-CG2 4.2Å; F1782-V1784 HydrophobicContact CD2-CG2 4.24Å; F1782-V1784 HydrophobicContact CE1-CB 4.38Å; F1782-V1784 HydrophobicContact CE1-CG2 3.48Å; F1782-V1784 HydrophobicContact CE2-CB 4.5Å; F1782-V1784 HydrophobicContact CE2-CG2 3.95Å; F1782-V1784 HydrophobicContact CZ-CG2 3.33Å; V1784-E1786 HydrophobicContact CG1-CG 4.2Å; V1784-N1800 CarbonylContact C-O 3.6Å; V1784-N1800 WeakPolarHBondContact CA-O 3.06Å; V1784-L1801 HydrophobicContact CG1-CD1 4Å; V1784-L1801 HydrophobicContact CG1-CG 4.49Å; V1784-L1801 HydrophobicContact CG2-CB 4.24Å; V1784-L1801 HydrophobicContact CG2-CD1 3.75Å; V1784-L1801 HydrophobicContact CG2-CG 3.8Å; V1784-L1802 CarbonylContact C-O 3.47Å; V1784-L1802 VanDerWaalsContact CA-O 3.24Å; V1784-L1802 WeakPolarHBondContact CA-O 3.41Å; V1784-I1803 HydrophobicContact CG2-CG1 4.27Å
1785	K	52	Low	48.4	Very low	97.8 Å²	97.8	69.2 Å²	69.2	43%	0.425	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.5	169.9	-72.9	-177.4	176.2	-168.5	0	109.1	Y1768 S1769 N1770 I1783 Q1798 Q1799 N1800 L1801 L1802	Y1768-K1785 HydrophobicContact CE2-CD 4.32Å; Y1768-K1785 WeakPolarHBondContact OH-CD 3.29Å; Y1768-K1785 VanDerWaalsContact OH-CE 3.27Å; Y1768-K1785 WeakPolarHBondContact OH-CE 3.31Å; Y1768-K1785 PolarHBondContact OH-NZ 2.82Å; S1769-K1785 CarbonylContact O-C 3.47Å; S1769-K1785 VanDerWaalsContact O-CA 3.26Å; S1769-K1785 WeakPolarHBondContact O-CA 3.21Å; N1770-K1785 HydrophobicContact CB-CG 4.13Å; N1770-K1785 WeakPolarHBondContact OD1-CE 3.33Å; N1770-K1785 VanDerWaalsContact OD1-CG 3.3Å; N1770-K1785 WeakPolarHBondContact OD1-CG 3.24Å; I1783-K1785 HydrophobicContact CG2-CD 4.23Å; I1783-K1785 HydrophobicContact CG2-CG 3.91Å; K1785-Q1798 CarbonylContact C-O 3.57Å; K1785-Q1799 CarbonylContact O-C 3.43Å; K1785-Q1799 VanDerWaalsContact O-C 3.26Å; K1785-Q1799 WeakPolarHBondContact O-CA 2.97Å; K1785-N1800 HydrophobicContact CB-CB 4.38Å; K1785-N1800 PolarHBondContact N-O 2.51Å; K1785-N1800 PolarHBondContact O-N 2.71Å; K1785-L1801 CarbonylContact O-C 3.51Å; K1785-L1801 VanDerWaalsContact O-CA 3.27Å; K1785-L1801 WeakPolarHBondContact O-CA 3.34Å; K1785-L1801 VanDerWaalsContact O-CD1 3.27Å; K1785-L1801 WeakPolarHBondContact O-CD1 3.5Å; K1785-L1801 VanDerWaalsContact O-CG 3.29Å; K1785-L1801 WeakPolarHBondContact O-CG 3.49Å; K1785-L1802 WeakPolarHBondContact CA-O 3.39Å; K1785-L1802 HydrophobicContact CB-CB 4.28Å; K1785-L1802 WeakPolarHBondContact CB-O 3.4Å; K1785-L1802 PolarHBondContact N-O 2.84Å; K1785-L1802 PolarHBondContact O-N 2.87Å
1786	E	49.6	Very low	47.5	Very low	51 Å²	51	70 Å²	70	24%	0.238	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.9	174.4	-121.6	177	167.6	0	0	108.1	Y1768 S1769 V1784 I1797 Q1798 Q1799 N1800 L1801	Y1768-E1786 CarbonylContact C-O 3.44Å; Y1768-E1786 VanDerWaalsContact CA-O 3.29Å; Y1768-E1786 WeakPolarHBondContact CA-O 3.31Å; Y1768-E1786 WeakPolarHBondContact CD2-O 3.44Å; S1769-E1786 WeakPolarHBondContact CB-OE2 3.29Å; S1769-E1786 PolarHBondContact N-O 3.07Å; S1769-E1786 PolarHBondContact O-N 3.06Å; S1769-E1786 VanDerWaalsContact O-O 3.05Å; S1769-E1786 VanDerWaalsContact OG-CB 3.27Å; S1769-E1786 WeakPolarHBondContact OG-CB 3.28Å; S1769-E1786 WeakPolarHBondContact OG-CG 3.48Å; S1769-E1786 PolarHBondContact OG-OE2 2.89Å; V1784-E1786 HydrophobicContact CG1-CG 4.2Å; E1786-I1797 HydrophobicContact CB-CG2 4.45Å; E1786-Q1798 CarbonylContact C-O 3.53Å; E1786-Q1798 WeakPolarHBondContact CA-O 3.1Å; E1786-Q1799 HydrophobicContact CB-CG 4.2Å; E1786-Q1799 HydrophobicContact CG-CB 4.43Å; E1786-Q1799 HydrophobicContact CG-CG 4.18Å; E1786-Q1799 PolarHBondContact OE1-NE2 3.05Å; E1786-N1800 CarbonylContact C-O 3.5Å; E1786-N1800 WeakPolarHBondContact CA-O 3.44Å; E1786-L1801 HydrophobicContact CB-CD1 3.99Å; E1786-L1801 HydrophobicContact CG-CB 4.18Å; E1786-L1801 HydrophobicContact CG-CD1 3.99Å; E1786-L1801 HydrophobicContact CG-CG 3.97Å; E1786-L1801 WeakPolarHBondContact OE1-CD1 3.28Å
1787	Q	54.5	Low	46.9	Very low	87.6 Å²	87.6	71 Å²	71	41%	0.409	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	114.8	178	-173	175	-17.1	0	0	109.7	I1767 Y1768 N1789 I1796 I1797 Q1798 Q1799 N1800	I1767-Q1787 CarbonylContact O-C 3.49Å; I1767-Q1787 VanDerWaalsContact O-CA 3.31Å; I1767-Q1787 WeakPolarHBondContact O-CA 3.33Å; Y1768-Q1787 HydrophobicContact CD2-CB 4.11Å; Y1768-Q1787 HydrophobicContact CD2-CG 4.26Å; Y1768-Q1787 HydrophobicContact CE2-CB 4.18Å; Y1768-Q1787 HydrophobicContact CE2-CG 4.22Å; Q1787-N1789 WeakPolarHBondContact CG-OD1 3.25Å; Q1787-N1789 PolarHBondContact NE2-OD1 2.98Å; Q1787-N1789 PolarHBondContact O-N 3.02Å; Q1787-I1796 CarbonylContact C-O 3.39Å; Q1787-I1797 CarbonylContact O-C 3.36Å; Q1787-I1797 WeakPolarHBondContact O-CA 2.91Å; Q1787-Q1798 HydrophobicContact CB-CB 4.4Å; Q1787-Q1798 PolarHBondContact N-O 2.52Å; Q1787-Q1798 PolarHBondContact O-N 2.67Å; Q1787-Q1798 VanDerWaalsContact O-O 3.06Å; Q1787-Q1799 WeakPolarHBondContact O-CA 3.35Å; Q1787-N1800 HydrophobicContact CB-CB 4.44Å; Q1787-N1800 PolarHBondContact N-O 3.1Å; Q1787-N1800 PolarHBondContact O-N 2.97Å
1788	L	50.2	Low	46.4	Very low	30.6 Å²	30.6	68.1 Å²	68.1	16%	0.16	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104.4	174.6	-99.7	169.1	0	0	0	109.7	F1765 P1766 I1767 I1790 I1796 I1797 Q1798 Q1799	F1765-L1788 HydrophobicContact CB-CD1 4.19Å; P1766-L1788 WeakPolarHBondContact O-CD1 3.32Å; P1766-L1788 VanDerWaalsContact O-CG 3.27Å; P1766-L1788 WeakPolarHBondContact O-CG 3.26Å; I1767-L1788 HydrophobicContact CG2-CB 4.3Å; I1767-L1788 WeakPolarHBondContact CG2-O 3.42Å; I1767-L1788 CarbonylContact O-C 3.07Å; I1767-L1788 VanDerWaalsContact O-CA 3.32Å; I1767-L1788 WeakPolarHBondContact O-CA 3.45Å; I1767-L1788 VanDerWaalsContact O-CB 3.29Å; I1767-L1788 WeakPolarHBondContact O-CB 3.5Å; I1767-L1788 PolarHBondContact O-N 2.99Å; L1788-I1790 HydrophobicContact CD2-CD1 3.76Å; L1788-I1790 HydrophobicContact CD2-CG1 3.28Å; L1788-I1790 PolarHBondContact O-N 3.27Å; L1788-I1796 CarbonylContact C-O 3.44Å; L1788-I1796 WeakPolarHBondContact CA-O 3.16Å; L1788-I1797 HydrophobicContact CB-CG1 3.9Å; L1788-I1797 HydrophobicContact CB-CG2 4.43Å; L1788-I1797 HydrophobicContact CD1-CD1 4.07Å; L1788-I1797 HydrophobicContact CD1-CG1 3.85Å; L1788-I1797 HydrophobicContact CD1-CG2 4.43Å; L1788-I1797 HydrophobicContact CD2-CG1 4.29Å; L1788-I1797 HydrophobicContact CD2-CG2 3.85Å; L1788-I1797 HydrophobicContact CG-CD1 4.39Å; L1788-I1797 HydrophobicContact CG-CG1 3.63Å; L1788-I1797 HydrophobicContact CG-CG2 4.28Å; L1788-Q1798 CarbonylContact C-O 3.49Å; L1788-Q1798 VanDerWaalsContact CA-O 3.28Å; L1788-Q1798 WeakPolarHBondContact CA-O 3.32Å; L1788-Q1799 HydrophobicContact CD2-CB 3.55Å; L1788-Q1799 HydrophobicContact CD2-CG 3.46Å; L1788-Q1799 VanDerWaalsContact CD2-CG 3.41Å
1789	N	49.5	Very low	45.8	Very low	60.2 Å²	60.2	68.9 Å²	68.9	32%	0.322	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	125	170.1	-71.1	-27	0	0	0	109.9	F1436 Q1787 S1795 I1796 Q1798 N1800	F1436-N1789 HydrophobicContact CB-CB 3.28Å; F1436-N1789 WeakPolarHBondContact CB-OD1 3.06Å; Q1787-N1789 WeakPolarHBondContact CG-OD1 3.25Å; Q1787-N1789 PolarHBondContact NE2-OD1 2.98Å; Q1787-N1789 PolarHBondContact O-N 3.02Å; N1789-S1795 CarbonylContact O-C 3.5Å; N1789-S1795 WeakPolarHBondContact O-CA 2.75Å; N1789-I1796 HydrophobicContact CB-CB 4.38Å; N1789-I1796 HydrophobicContact CB-CD1 4.37Å; N1789-I1796 PolarHBondContact N-O 3.43Å; N1789-I1796 PolarHBondContact O-N 3.42Å; N1789-I1796 VanDerWaalsContact O-O 3.12Å; N1789-Q1798 HydrophobicContact CB-CB 4.35Å; N1789-Q1798 PolarHBondContact N-O 3.1Å; N1789-Q1798 PolarHBondContact O-N 2.91Å; N1789-Q1798 VanDerWaalsContact O-N 3.17Å; N1789-N1800 PolarHBondContact ND2-ND2 3.1Å
1790	I	46.2	Very low	45.6	Very low	87.8 Å²	87.8	68 Å²	68	45%	0.45	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.4	175.9	-55.5	176	0	0	0	108.6	I1760 L1763 L1788 S1794	I1760-I1790 HydrophobicContact CD1-CD1 3.9Å; I1760-I1790 VanDerWaalsContact CD1-CD1 3.47Å; L1763-I1790 HydrophobicContact CD1-CD1 3.37Å; L1788-I1790 HydrophobicContact CD2-CD1 3.76Å; L1788-I1790 HydrophobicContact CD2-CG1 3.28Å; L1788-I1790 PolarHBondContact O-N 3.27Å; I1790-S1794 WeakPolarHBondContact CA-O 3.29Å
1791	N	43.2	Very low	45.1	Very low	90.8 Å²	90.8	68.3 Å²	68.3	49%	0.486	35%	0.353	S	S	.	.			trans	-101.2	140.5	166.6	-83.6	-15.4	0	0	0	109.8	Q1435 S1793 S1794	Q1435-N1791 VanDerWaalsContact C-CG 3.44Å; Q1435-N1791 WeakPolarHBondContact CA-ND2 3.04Å; Q1435-N1791 PolarHBondContact O-ND2 2.79Å; Q1435-N1791 PolarHBondContact O-OD1 2.88Å; N1791-S1793 VanDerWaalsContact C-N 3.29Å; N1791-S1793 PolarHBondContact O-N 2.92Å; N1791-S1794 PolarHBondContact N-O 2.95Å; N1791-S1794 CarbonylContact O-C 3.56Å; N1791-S1794 PolarHBondContact O-N 2.96Å; N1791-S1794 VanDerWaalsContact O-N 3.11Å; N1791-S1794 VanDerWaalsContact O-O 3.09Å
1792	N	43.4	Very low	44.5	Very low	168.8 Å²	168.8	65.4 Å²	65.4	90%	0.903	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-11	-171.9	-70.1	-8.5	0	0	0	116.4
1793	S	41.8	Very low	43.8	Very low	97.4 Å²	97.4	64.3 Å²	64.3	68%	0.681	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-5.3	-177.7	56.6	0	0	0	0	114.4	N1791 E1821 N1822	N1791-S1793 VanDerWaalsContact C-N 3.29Å; N1791-S1793 PolarHBondContact O-N 2.92Å; S1793-E1821 WeakPolarHBondContact O-CG 3.42Å; S1793-N1822 WeakPolarHBondContact CA-O 3.46Å; S1793-N1822 WeakPolarHBondContact CB-O 2.82Å; S1793-N1822 CarbonylContact O-C 3.58Å; S1793-N1822 PolarHBondContact O-N 2.84Å
1794	S	36.4	Very low	43	Very low	38.4 Å²	38.4	65.1 Å²	65.1	27%	0.269	34%	0.344	S	S	.	.	S	Bend	trans	-162.8	135.8	-178.8	37.6	0	0	0	0	108.8	L1434 I1790 N1791 I1796 F1820	L1434-S1794 WeakPolarHBondContact CB-OG 3.13Å; I1790-S1794 WeakPolarHBondContact CA-O 3.29Å; N1791-S1794 PolarHBondContact N-O 2.95Å; N1791-S1794 CarbonylContact O-C 3.56Å; N1791-S1794 PolarHBondContact O-N 2.96Å; N1791-S1794 VanDerWaalsContact O-N 3.11Å; N1791-S1794 VanDerWaalsContact O-O 3.09Å; S1794-I1796 PolarHBondContact O-N 2.83Å; S1794-I1796 VanDerWaalsContact OG-CD1 3.26Å; S1794-I1796 WeakPolarHBondContact OG-CD1 3.43Å; S1794-F1820 CarbonylContact C-O 3.51Å; S1794-F1820 VanDerWaalsContact CA-O 3.3Å; S1794-F1820 WeakPolarHBondContact CA-O 2.75Å; S1794-F1820 WeakPolarHBondContact CB-O 3.43Å
1795	S	35.6	Very low	42.2	Very low	52.4 Å²	52.4	66.2 Å²	66.2	37%	0.366	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	90	176.6	51.6	0	0	0	0	110.9	N1789 F1820	N1789-S1795 CarbonylContact O-C 3.5Å; N1789-S1795 WeakPolarHBondContact O-CA 2.75Å; S1795-F1820 PolarHBondContact N-O 3.43Å; S1795-F1820 WeakPolarHBondContact O-CA 2.97Å; S1795-F1820 WeakPolarHBondContact O-CB 3.26Å; S1795-F1820 WeakPolarHBondContact O-CD2 3.23Å; S1795-F1820 WeakPolarHBondContact O-CG 3.29Å; S1795-F1820 PolarHBondContact O-N 3.14Å; S1795-F1820 WeakPolarHBondContact OG-CB 3.13Å; S1795-F1820 PolarHBondContact OG-O 2.83Å
1796	I	38.9	Very low	41.6	Very low	42.8 Å²	42.8	65.4 Å²	65.4	22%	0.219	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.3	171.8	-54.9	163.3	0	0	0	106.9	Q1435 Q1787 L1788 N1789 S1794 Q1798 L1818 F1819	Q1435-I1796 WeakPolarHBondContact O-CD1 3.12Å; Q1787-I1796 CarbonylContact C-O 3.39Å; L1788-I1796 CarbonylContact C-O 3.44Å; L1788-I1796 WeakPolarHBondContact CA-O 3.16Å; N1789-I1796 HydrophobicContact CB-CB 4.38Å; N1789-I1796 HydrophobicContact CB-CD1 4.37Å; N1789-I1796 PolarHBondContact N-O 3.43Å; N1789-I1796 PolarHBondContact O-N 3.42Å; N1789-I1796 VanDerWaalsContact O-O 3.12Å; S1794-I1796 PolarHBondContact O-N 2.83Å; S1794-I1796 VanDerWaalsContact OG-CD1 3.26Å; S1794-I1796 WeakPolarHBondContact OG-CD1 3.43Å; I1796-Q1798 HydrophobicContact CG2-CG 3.85Å; I1796-Q1798 PolarHBondContact O-N 3.28Å; I1796-Q1798 VanDerWaalsContact O-N 3.1Å; I1796-L1818 CarbonylContact C-O 3.55Å; I1796-L1818 VanDerWaalsContact CA-O 3.28Å; I1796-L1818 WeakPolarHBondContact CA-O 3.3Å; I1796-F1819 HydrophobicContact CD1-CD2 3.92Å; I1796-F1819 HydrophobicContact CD1-CE2 3.96Å; I1796-F1819 HydrophobicContact CG1-CB 3.93Å; I1796-F1819 HydrophobicContact CG1-CD2 3.57Å; I1796-F1819 HydrophobicContact CG1-CE2 3.95Å; I1796-F1819 HydrophobicContact CG1-CG 3.99Å; I1796-F1819 HydrophobicContact CG2-CB 4.14Å
1797	I	38.4	Very low	41	Very low	56.2 Å²	56.2	67.7 Å²	67.7	29%	0.288	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	105.2	169.7	-57.1	173.7	0	0	0	106.9	E1786 Q1787 L1788 Q1799 S1817 L1818 F1820	E1786-I1797 HydrophobicContact CB-CG2 4.45Å; Q1787-I1797 CarbonylContact O-C 3.36Å; Q1787-I1797 WeakPolarHBondContact O-CA 2.91Å; L1788-I1797 HydrophobicContact CB-CG1 3.9Å; L1788-I1797 HydrophobicContact CB-CG2 4.43Å; L1788-I1797 HydrophobicContact CD1-CD1 4.07Å; L1788-I1797 HydrophobicContact CD1-CG1 3.85Å; L1788-I1797 HydrophobicContact CD1-CG2 4.43Å; L1788-I1797 HydrophobicContact CD2-CG1 4.29Å; L1788-I1797 HydrophobicContact CD2-CG2 3.85Å; L1788-I1797 HydrophobicContact CG-CD1 4.39Å; L1788-I1797 HydrophobicContact CG-CG1 3.63Å; L1788-I1797 HydrophobicContact CG-CG2 4.28Å; I1797-Q1799 HydrophobicContact CG2-CG 3.93Å; I1797-S1817 CarbonylContact O-C 3.28Å; I1797-S1817 WeakPolarHBondContact O-CA 2.99Å; I1797-L1818 HydrophobicContact CB-CB 4.18Å; I1797-L1818 HydrophobicContact CB-CD1 4.26Å; I1797-L1818 PolarHBondContact N-O 2.84Å; I1797-L1818 VanDerWaalsContact N-O 3.1Å; I1797-L1818 WeakPolarHBondContact O-CB 2.85Å; I1797-L1818 PolarHBondContact O-N 2.98Å; I1797-F1820 HydrophobicContact CD1-CD2 4.26Å; I1797-F1820 HydrophobicContact CD1-CE2 4.06Å; I1797-F1820 HydrophobicContact CD1-CZ 4.17Å; I1797-F1820 HydrophobicContact CG1-CE2 4.08Å
1798	Q	42.2	Very low	40	Very low	80.4 Å²	80.4	65.9 Å²	65.9	38%	0.376	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.3	172	-69.3	-179.5	-24.9	0	0	109.1	K1785 E1786 Q1787 L1788 N1789 I1796 Q1816	K1785-Q1798 CarbonylContact C-O 3.57Å; E1786-Q1798 CarbonylContact C-O 3.53Å; E1786-Q1798 WeakPolarHBondContact CA-O 3.1Å; Q1787-Q1798 HydrophobicContact CB-CB 4.4Å; Q1787-Q1798 PolarHBondContact N-O 2.52Å; Q1787-Q1798 PolarHBondContact O-N 2.67Å; Q1787-Q1798 VanDerWaalsContact O-O 3.06Å; L1788-Q1798 CarbonylContact C-O 3.49Å; L1788-Q1798 VanDerWaalsContact CA-O 3.28Å; L1788-Q1798 WeakPolarHBondContact CA-O 3.32Å; N1789-Q1798 HydrophobicContact CB-CB 4.35Å; N1789-Q1798 PolarHBondContact N-O 3.1Å; N1789-Q1798 PolarHBondContact O-N 2.91Å; N1789-Q1798 VanDerWaalsContact O-N 3.17Å; I1796-Q1798 HydrophobicContact CG2-CG 3.85Å; I1796-Q1798 PolarHBondContact O-N 3.28Å; I1796-Q1798 VanDerWaalsContact O-N 3.1Å; Q1798-Q1816 CarbonylContact C-O 3.53Å; Q1798-Q1816 WeakPolarHBondContact CA-O 3.37Å
1799	Q	38.8	Very low	39.2	Very low	74.2 Å²	74.2	72.1 Å²	72.1	35%	0.347	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	101	175.2	-130.4	174.3	-4.6	0	0	110.9	K1785 E1786 Q1787 L1788 I1797 Q1816 L1818	K1785-Q1799 CarbonylContact O-C 3.43Å; K1785-Q1799 VanDerWaalsContact O-C 3.26Å; K1785-Q1799 WeakPolarHBondContact O-CA 2.97Å; E1786-Q1799 HydrophobicContact CB-CG 4.2Å; E1786-Q1799 HydrophobicContact CG-CB 4.43Å; E1786-Q1799 HydrophobicContact CG-CG 4.18Å; E1786-Q1799 PolarHBondContact OE1-NE2 3.05Å; Q1787-Q1799 WeakPolarHBondContact O-CA 3.35Å; L1788-Q1799 HydrophobicContact CD2-CB 3.55Å; L1788-Q1799 HydrophobicContact CD2-CG 3.46Å; L1788-Q1799 VanDerWaalsContact CD2-CG 3.41Å; I1797-Q1799 HydrophobicContact CG2-CG 3.93Å; Q1799-Q1816 CarbonylContact C-O 2.91Å; Q1799-Q1816 VanDerWaalsContact C-O 3.28Å; Q1799-Q1816 WeakPolarHBondContact CA-O 3.29Å; Q1799-Q1816 HydrophobicContact CB-CB 4.22Å; Q1799-Q1816 HydrophobicContact CB-CG 4.18Å; Q1799-Q1816 WeakPolarHBondContact CB-O 3.42Å; Q1799-Q1816 PolarHBondContact N-O 2.85Å; Q1799-Q1816 VanDerWaalsContact O-CB 3.29Å; Q1799-Q1816 WeakPolarHBondContact O-CB 2.89Å; Q1799-Q1816 PolarHBondContact O-N 3.16Å; Q1799-L1818 HydrophobicContact CG-CD1 4.41Å
1800	N	44.5	Very low	38.4	Very low	60 Å²	60	72.6 Å²	72.6	32%	0.321	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	106.4	174	-62.7	-15.3	0	0	0	111.4	V1784 K1785 E1786 Q1787 N1789 L1802 F1814 N1815 Q1816	V1784-N1800 CarbonylContact C-O 3.6Å; V1784-N1800 WeakPolarHBondContact CA-O 3.06Å; K1785-N1800 HydrophobicContact CB-CB 4.38Å; K1785-N1800 PolarHBondContact N-O 2.51Å; K1785-N1800 PolarHBondContact O-N 2.71Å; E1786-N1800 CarbonylContact C-O 3.5Å; E1786-N1800 WeakPolarHBondContact CA-O 3.44Å; Q1787-N1800 HydrophobicContact CB-CB 4.44Å; Q1787-N1800 PolarHBondContact N-O 3.1Å; Q1787-N1800 PolarHBondContact O-N 2.97Å; N1789-N1800 PolarHBondContact ND2-ND2 3.1Å; N1800-L1802 PolarHBondContact O-N 3.13Å; N1800-L1802 VanDerWaalsContact O-N 3.13Å; N1800-F1814 CarbonylContact C-O 3.45Å; N1800-F1814 WeakPolarHBondContact CA-O 3.32Å; N1800-N1815 WeakPolarHBondContact CB-OD1 3.21Å; N1800-N1815 WeakPolarHBondContact OD1-CA 3.14Å; N1800-N1815 VanDerWaalsContact OD1-CB 3.31Å; N1800-N1815 WeakPolarHBondContact OD1-CB 3.27Å; N1800-N1815 VanDerWaalsContact OD1-CG 3.28Å; N1800-N1815 PolarHBondContact OD1-OD1 2.7Å; N1800-N1815 VanDerWaalsContact OD1-OD1 3.09Å; N1800-Q1816 PolarHBondContact OD1-N 2.94Å; N1800-Q1816 PolarHBondContact OD1-O 3.43Å
1801	L	35.8	Very low	37.7	Very low	33.8 Å²	33.8	73.8 Å²	73.8	18%	0.177	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	112.9	175.2	-168.1	132.1	0	0	0	109.7	I1783 V1784 K1785 E1786 I1803 F1814 F1820 Y1893	I1783-L1801 CarbonylContact O-C 3.43Å; I1783-L1801 WeakPolarHBondContact O-CA 3.35Å; V1784-L1801 HydrophobicContact CG1-CD1 4Å; V1784-L1801 HydrophobicContact CG1-CG 4.49Å; V1784-L1801 HydrophobicContact CG2-CB 4.24Å; V1784-L1801 HydrophobicContact CG2-CD1 3.75Å; V1784-L1801 HydrophobicContact CG2-CG 3.8Å; K1785-L1801 CarbonylContact O-C 3.51Å; K1785-L1801 VanDerWaalsContact O-CA 3.27Å; K1785-L1801 WeakPolarHBondContact O-CA 3.34Å; K1785-L1801 VanDerWaalsContact O-CD1 3.27Å; K1785-L1801 WeakPolarHBondContact O-CD1 3.5Å; K1785-L1801 VanDerWaalsContact O-CG 3.29Å; K1785-L1801 WeakPolarHBondContact O-CG 3.49Å; E1786-L1801 HydrophobicContact CB-CD1 3.99Å; E1786-L1801 HydrophobicContact CG-CB 4.18Å; E1786-L1801 HydrophobicContact CG-CD1 3.99Å; E1786-L1801 HydrophobicContact CG-CG 3.97Å; E1786-L1801 WeakPolarHBondContact OE1-CD1 3.28Å; L1801-I1803 HydrophobicContact CD2-CD1 3.75Å; L1801-I1803 HydrophobicContact CD2-CG1 3.76Å; L1801-I1803 PolarHBondContact O-N 2.92Å; L1801-F1814 WeakPolarHBondContact CA-O 3.18Å; L1801-F1814 HydrophobicContact CB-CB 4.19Å; L1801-F1814 WeakPolarHBondContact CB-O 3.43Å; L1801-F1814 HydrophobicContact CD2-CB 4.19Å; L1801-F1814 HydrophobicContact CD2-CD2 3.6Å; L1801-F1814 HydrophobicContact CD2-CE2 4.39Å; L1801-F1814 HydrophobicContact CD2-CG 4.24Å; L1801-F1814 PolarHBondContact N-O 2.93Å; L1801-F1814 CarbonylContact O-C 3.01Å; L1801-F1814 VanDerWaalsContact O-C 3.28Å; L1801-F1814 VanDerWaalsContact O-CA 3.31Å; L1801-F1814 WeakPolarHBondContact O-CA 3.38Å; L1801-F1814 WeakPolarHBondContact O-CB 3.17Å; L1801-F1814 PolarHBondContact O-N 2.79Å; L1801-F1814 VanDerWaalsContact O-O 3.04Å; L1801-F1820 HydrophobicContact CD2-CE1 4.47Å; L1801-F1820 HydrophobicContact CD2-CZ 4.46Å; L1801-Y1893 VanDerWaalsContact CD1-OH 3.27Å; L1801-Y1893 WeakPolarHBondContact CD1-OH 3.45Å; L1801-Y1893 HydrophobicContact CD2-CE1 3.97Å
1802	L	38.2	Very low	37.4	Very low	57.6 Å²	57.6	75.2 Å²	75.2	30%	0.302	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.9	-178.6	-152.5	163.4	0	0	0	109.4	R1781 F1782 I1783 V1784 K1785 N1800 F1804 Y1812 Y1813	R1781-L1802 HydrophobicContact CG-CD2 4.29Å; R1781-L1802 WeakPolarHBondContact O-CD2 3.2Å; F1782-L1802 CarbonylContact C-O 3.54Å; F1782-L1802 WeakPolarHBondContact CA-O 3.23Å; I1783-L1802 HydrophobicContact CB-CB 4.2Å; I1783-L1802 PolarHBondContact N-O 3.5Å; I1783-L1802 PolarHBondContact O-N 3.24Å; V1784-L1802 CarbonylContact C-O 3.47Å; V1784-L1802 VanDerWaalsContact CA-O 3.24Å; V1784-L1802 WeakPolarHBondContact CA-O 3.41Å; K1785-L1802 WeakPolarHBondContact CA-O 3.39Å; K1785-L1802 HydrophobicContact CB-CB 4.28Å; K1785-L1802 WeakPolarHBondContact CB-O 3.4Å; K1785-L1802 PolarHBondContact N-O 2.84Å; K1785-L1802 PolarHBondContact O-N 2.87Å; N1800-L1802 PolarHBondContact O-N 3.13Å; N1800-L1802 VanDerWaalsContact O-N 3.13Å; L1802-F1804 HydrophobicContact CB-CD2 4.47Å; L1802-F1804 HydrophobicContact CB-CE2 4.11Å; L1802-F1804 HydrophobicContact CD1-CE2 4.25Å; L1802-F1804 HydrophobicContact CD2-CB 3.99Å; L1802-F1804 HydrophobicContact CD2-CD2 4.17Å; L1802-F1804 HydrophobicContact CD2-CE2 3.62Å; L1802-F1804 HydrophobicContact CD2-CZ 3.75Å; L1802-F1804 HydrophobicContact CG-CE2 4.22Å; L1802-F1804 PolarHBondContact O-N 3.01Å; L1802-Y1812 WeakPolarHBondContact CA-O 3.26Å; L1802-Y1813 HydrophobicContact CB-CD2 4Å; L1802-Y1813 HydrophobicContact CB-CE2 4.46Å; L1802-Y1813 HydrophobicContact CD1-CD2 4.04Å; L1802-Y1813 HydrophobicContact CD1-CE2 3.98Å; L1802-Y1813 HydrophobicContact CD2-CD1 3.67Å; L1802-Y1813 HydrophobicContact CD2-CE1 3.37Å; L1802-Y1813 HydrophobicContact CD2-CG 4.46Å; L1802-Y1813 HydrophobicContact CG-CD1 4.35Å; L1802-Y1813 HydrophobicContact CG-CD2 3.96Å; L1802-Y1813 HydrophobicContact CG-CE1 4.18Å; L1802-Y1813 HydrophobicContact CG-CE2 4.31Å
1803	I	36.1	Very low	36.9	Very low	25.2 Å²	25.2	72.8 Å²	72.8	13%	0.129	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.1	175.1	-56.6	171.7	0	0	0	108.4	L1430 L1432 R1781 F1782 I1783 V1784 L1801 I1805 Y1812 F1814 F1820	L1430-I1803 HydrophobicContact CB-CD1 4Å; L1430-I1803 HydrophobicContact CD1-CB 4.26Å; L1430-I1803 HydrophobicContact CD1-CD1 3.63Å; L1430-I1803 HydrophobicContact CD1-CG1 3.48Å; L1430-I1803 VanDerWaalsContact CD1-CG1 3.48Å; L1430-I1803 HydrophobicContact CD1-CG2 3.82Å; L1430-I1803 HydrophobicContact CD2-CG2 4.29Å; L1430-I1803 HydrophobicContact CG-CD1 3.57Å; L1430-I1803 HydrophobicContact CG-CG1 3.93Å; L1430-I1803 HydrophobicContact CG-CG2 3.83Å; L1432-I1803 HydrophobicContact CD1-CG2 4.05Å; R1781-I1803 WeakPolarHBondContact O-CA 3.23Å; F1782-I1803 HydrophobicContact CD2-CD1 4.01Å; F1782-I1803 HydrophobicContact CD2-CG1 3.94Å; F1782-I1803 HydrophobicContact CE2-CD1 4.37Å; F1782-I1803 HydrophobicContact CE2-CG2 4.14Å; I1783-I1803 CarbonylContact O-C 3.5Å; I1783-I1803 VanDerWaalsContact O-CA 3.31Å; I1783-I1803 WeakPolarHBondContact O-CA 3.39Å; V1784-I1803 HydrophobicContact CG2-CG1 4.27Å; L1801-I1803 HydrophobicContact CD2-CD1 3.75Å; L1801-I1803 HydrophobicContact CD2-CG1 3.76Å; L1801-I1803 PolarHBondContact O-N 2.92Å; I1803-I1805 HydrophobicContact CG2-CD1 3.96Å; I1803-I1805 VanDerWaalsContact CG2-CD1 3.46Å; I1803-I1805 HydrophobicContact CG2-CG1 4.04Å; I1803-Y1812 CarbonylContact C-O 3.58Å; I1803-Y1812 PolarHBondContact N-O 3.06Å; I1803-Y1812 VanDerWaalsContact N-O 3.14Å; I1803-Y1812 CarbonylContact O-C 3.41Å; I1803-Y1812 WeakPolarHBondContact O-CA 3.36Å; I1803-Y1812 VanDerWaalsContact O-CB 3.22Å; I1803-Y1812 WeakPolarHBondContact O-CB 3.41Å; I1803-Y1812 PolarHBondContact O-N 3.07Å; I1803-F1814 HydrophobicContact CD1-CD2 4.22Å; I1803-F1814 HydrophobicContact CD1-CE2 3.95Å; I1803-F1820 HydrophobicContact CD1-CE2 3.83Å; I1803-F1820 HydrophobicContact CD1-CZ 3.74Å
1804	F	34.8	Very low	36.5	Very low	56.6 Å²	56.6	71.7 Å²	71.7	25%	0.248	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.2	175.8	-157.5	-94.6	0	0	0	111.2	L1780 R1781 F1782 I1783 L1802 N1806 F1811	L1780-F1804 CarbonylContact C-O 3.55Å; L1780-F1804 WeakPolarHBondContact CA-O 3.18Å; R1781-F1804 HydrophobicContact CB-CB 4.18Å; R1781-F1804 HydrophobicContact CB-CD1 4.11Å; R1781-F1804 HydrophobicContact CB-CE1 3.97Å; R1781-F1804 PolarHBondContact N-O 2.75Å; R1781-F1804 PolarHBondContact O-N 2.71Å; R1781-F1804 VanDerWaalsContact O-O 3.12Å; F1782-F1804 CarbonylContact C-O 3.6Å; F1782-F1804 VanDerWaalsContact CA-O 3.25Å; F1782-F1804 WeakPolarHBondContact CA-O 3.34Å; I1783-F1804 HydrophobicContact CB-CB 4.13Å; I1783-F1804 WeakPolarHBondContact CB-O 3.32Å; I1783-F1804 HydrophobicContact CD1-CB 4.41Å; I1783-F1804 HydrophobicContact CD1-CD1 4.07Å; I1783-F1804 WeakPolarHBondContact CD1-O 3.42Å; I1783-F1804 HydrophobicContact CG1-CD1 4.39Å; I1783-F1804 WeakPolarHBondContact CG1-O 3.19Å; I1783-F1804 PolarHBondContact N-O 2.84Å; I1783-F1804 PolarHBondContact O-N 2.83Å; L1802-F1804 HydrophobicContact CB-CD2 4.47Å; L1802-F1804 HydrophobicContact CB-CE2 4.11Å; L1802-F1804 HydrophobicContact CD1-CE2 4.25Å; L1802-F1804 HydrophobicContact CD2-CB 3.99Å; L1802-F1804 HydrophobicContact CD2-CD2 4.17Å; L1802-F1804 HydrophobicContact CD2-CE2 3.62Å; L1802-F1804 HydrophobicContact CD2-CZ 3.75Å; L1802-F1804 HydrophobicContact CG-CE2 4.22Å; L1802-F1804 PolarHBondContact O-N 3.01Å; F1804-N1806 HydrophobicContact CD1-CB 4.48Å; F1804-N1806 HydrophobicContact CE1-CB 3.71Å; F1804-N1806 WeakPolarHBondContact CE1-OD1 3.21Å; F1804-N1806 HydrophobicContact CE2-CB 4.15Å; F1804-N1806 HydrophobicContact CZ-CB 3.54Å; F1804-N1806 WeakPolarHBondContact CZ-OD1 3.26Å; F1804-F1811 HydrophobicContact CB-CD1 4.44Å; F1804-F1811 HydrophobicContact CD1-CD1 4.34Å; F1804-F1811 HydrophobicContact CD1-CE1 4.42Å; F1804-F1811 HydrophobicContact CD2-CB 4.46Å; F1804-F1811 AromaticContact CD2-CD1 3.55Å; F1804-F1811 HydrophobicContact CD2-CD1 3.55Å; F1804-F1811 HydrophobicContact CD2-CD2 4.31Å; F1804-F1811 AromaticContact CD2-CE1 3.4Å; F1804-F1811 HydrophobicContact CD2-CE1 3.4Å; F1804-F1811 HydrophobicContact CD2-CE2 4.27Å; F1804-F1811 AromaticContact CD2-CG 3.87Å; F1804-F1811 HydrophobicContact CD2-CG 3.87Å; F1804-F1811 AromaticContact CD2-CZ 3.51Å; F1804-F1811 HydrophobicContact CD2-CZ 3.99Å; F1804-F1811 AromaticContact CE1-CD1 3.95Å; F1804-F1811 HydrophobicContact CE1-CD1 3.95Å; F1804-F1811 HydrophobicContact CE1-CE1 4.03Å; F1804-F1811 AromaticContact CE2-CD1 3.6Å; F1804-F1811 HydrophobicContact CE2-CD1 4.02Å; F1804-F1811 HydrophobicContact CE2-CD2 4.28Å; F1804-F1811 AromaticContact CE2-CE1 3.47Å; F1804-F1811 HydrophobicContact CE2-CE1 3.47Å; F1804-F1811 AromaticContact CE2-CE2 3.87Å; F1804-F1811 HydrophobicContact CE2-CE2 3.87Å; F1804-F1811 HydrophobicContact CE2-CG 4.26Å; F1804-F1811 AromaticContact CE2-CZ 3.59Å; F1804-F1811 HydrophobicContact CE2-CZ 3.59Å; F1804-F1811 VanDerWaalsContact CE2-CZ 3.44Å; F1804-F1811 HydrophobicContact CG-CD1 4.2Å; F1804-F1811 AromaticContact CG-CE1 3.9Å; F1804-F1811 HydrophobicContact CG-CE1 4.16Å; F1804-F1811 AromaticContact CZ-CE1 3.98Å; F1804-F1811 HydrophobicContact CZ-CE1 3.98Å; F1804-F1811 HydrophobicContact CZ-CZ 4.25Å
1805	I	36.3	Very low	36.4	Very low	40.8 Å²	40.8	73.3 Å²	73.3	21%	0.209	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	114.6	-173.2	-60.2	-178.4	0	0	0	107.3	L1432 L1434 D1779 L1780 R1781 F1782 I1803 Q1807 S1808 L1818 L1895	L1432-I1805 HydrophobicContact CD1-CB 3.8Å; L1432-I1805 HydrophobicContact CD1-CD1 3.13Å; L1432-I1805 HydrophobicContact CD1-CG1 3.64Å; L1432-I1805 HydrophobicContact CD1-CG2 3.29Å; L1432-I1805 HydrophobicContact CD2-CB 3.92Å; L1432-I1805 HydrophobicContact CD2-CD1 3.16Å; L1432-I1805 HydrophobicContact CD2-CG1 3.52Å; L1432-I1805 HydrophobicContact CD2-CG2 3.64Å; L1432-I1805 HydrophobicContact CG-CB 4.07Å; L1432-I1805 HydrophobicContact CG-CD1 3.62Å; L1432-I1805 HydrophobicContact CG-CG1 3.99Å; L1432-I1805 HydrophobicContact CG-CG2 3.38Å; L1434-I1805 HydrophobicContact CD2-CB 3.79Å; L1434-I1805 HydrophobicContact CD2-CG1 4.4Å; L1434-I1805 HydrophobicContact CD2-CG2 3.37Å; D1779-I1805 WeakPolarHBondContact O-CA 3.4Å; L1780-I1805 HydrophobicContact CB-CG1 4.28Å; L1780-I1805 HydrophobicContact CD1-CD1 4.15Å; L1780-I1805 HydrophobicContact CD1-CG1 4.4Å; L1780-I1805 HydrophobicContact CD2-CG2 3.61Å; L1780-I1805 HydrophobicContact CG-CG1 4.3Å; R1781-I1805 WeakPolarHBondContact O-CA 3.43Å; F1782-I1805 HydrophobicContact CD2-CD1 3.87Å; F1782-I1805 HydrophobicContact CD2-CG1 3.83Å; F1782-I1805 HydrophobicContact CE2-CD1 4.24Å; F1782-I1805 HydrophobicContact CE2-CG1 4.29Å; I1803-I1805 HydrophobicContact CG2-CD1 3.96Å; I1803-I1805 VanDerWaalsContact CG2-CD1 3.46Å; I1803-I1805 HydrophobicContact CG2-CG1 4.04Å; I1805-Q1807 VanDerWaalsContact C-N 3.29Å; I1805-Q1807 PolarHBondContact O-N 3.3Å; I1805-Q1807 VanDerWaalsContact O-N 3.13Å; I1805-S1808 PolarHBondContact O-N 2.81Å; I1805-S1808 VanDerWaalsContact O-N 3.15Å; I1805-S1808 VanDerWaalsContact O-O 3.12Å; I1805-S1808 PolarHBondContact O-OG 3.29Å; I1805-L1818 HydrophobicContact CD1-CD1 4.05Å; I1805-L1895 HydrophobicContact CD1-CD1 3.52Å; I1805-L1895 HydrophobicContact CD1-CD2 4.48Å
1806	N	39.3	Very low	36.4	Very low	80.2 Å²	80.2	73.2 Å²	73.2	43%	0.429	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	7.9	-164.7	-136.9	39.6	0	0	0	115.5	L1434 F1436 D1779 R1781 F1804 S1808	L1434-N1806 HydrophobicContact CD2-CB 4.47Å; F1436-N1806 HydrophobicContact CE1-CB 4.09Å; F1436-N1806 WeakPolarHBondContact CE1-OD1 3.46Å; F1436-N1806 HydrophobicContact CZ-CB 3.61Å; D1779-N1806 HydrophobicContact CB-CB 3.79Å; D1779-N1806 WeakPolarHBondContact O-CB 3.03Å; D1779-N1806 PolarHBondContact O-N 2.59Å; D1779-N1806 VanDerWaalsContact O-N 3.1Å; R1781-N1806 HydrophobicContact CB-CB 4.08Å; R1781-N1806 WeakPolarHBondContact CD-ND2 3.33Å; R1781-N1806 WeakPolarHBondContact CD-OD1 3.41Å; R1781-N1806 PolarHBondContact NH1-OD1 3.43Å; R1781-N1806 PolarHBondContact O-N 2.91Å; R1781-N1806 VanDerWaalsContact O-N 3.1Å; F1804-N1806 HydrophobicContact CD1-CB 4.48Å; F1804-N1806 HydrophobicContact CE1-CB 3.71Å; F1804-N1806 WeakPolarHBondContact CE1-OD1 3.21Å; F1804-N1806 HydrophobicContact CE2-CB 4.15Å; F1804-N1806 HydrophobicContact CZ-CB 3.54Å; F1804-N1806 WeakPolarHBondContact CZ-OD1 3.26Å; N1806-S1808 VanDerWaalsContact C-N 3.31Å; N1806-S1808 PolarHBondContact O-N 3.21Å
1807	Q	37.3	Very low	36.2	Very low	100.4 Å²	100.4	73.2 Å²	73.2	47%	0.469	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.9	177.7	-87.6	-178.1	-3.1	0	0	112.1	Q1398 V1433 L1434 Q1435 N1778 D1779 I1805 I1809	Q1398-Q1807 PolarHBondContact O-NE2 3.42Å; V1433-Q1807 WeakPolarHBondContact O-CB 3.5Å; V1433-Q1807 PolarHBondContact O-N 2.8Å; L1434-Q1807 VanDerWaalsContact C-CG 3.45Å; L1434-Q1807 WeakPolarHBondContact O-CG 3.34Å; L1434-Q1807 PolarHBondContact O-NE2 3.02Å; L1434-Q1807 VanDerWaalsContact O-NE2 3.15Å; L1434-Q1807 PolarHBondContact O-OE1 3.46Å; Q1435-Q1807 HydrophobicContact CB-CG 4.06Å; N1778-Q1807 PolarHBondContact O-NE2 3.08Å; D1779-Q1807 HydrophobicContact CB-CG 3.94Å; D1779-Q1807 WeakPolarHBondContact OD2-CG 2.95Å; D1779-Q1807 PolarHBondContact OD2-NE2 2.99Å; I1805-Q1807 VanDerWaalsContact C-N 3.29Å; I1805-Q1807 PolarHBondContact O-N 3.3Å; I1805-Q1807 VanDerWaalsContact O-N 3.13Å; Q1807-I1809 PolarHBondContact O-N 2.88Å
1808	S	33.5	Very low	36	Very low	49 Å²	49	72.2 Å²	72.2	34%	0.343	36%	0.355	S	S	.	.	S	Bend	trans	-115.1	139.8	168.3	55.7	0	0	0	0	109.9	V1433 D1779 I1805 N1806 T1810	V1433-S1808 PolarHBondContact O-N 3.06Å; V1433-S1808 VanDerWaalsContact O-N 3.1Å; V1433-S1808 PolarHBondContact O-OG 3.35Å; V1433-S1808 VanDerWaalsContact O-OG 3.05Å; D1779-S1808 WeakPolarHBondContact OD2-CB 3.3Å; D1779-S1808 PolarHBondContact OD2-OG 3.41Å; I1805-S1808 PolarHBondContact O-N 2.81Å; I1805-S1808 VanDerWaalsContact O-N 3.15Å; I1805-S1808 VanDerWaalsContact O-O 3.12Å; I1805-S1808 PolarHBondContact O-OG 3.29Å; N1806-S1808 VanDerWaalsContact C-N 3.31Å; N1806-S1808 PolarHBondContact O-N 3.21Å; S1808-T1810 VanDerWaalsContact CB-OG1 3.28Å; S1808-T1810 WeakPolarHBondContact CB-OG1 3.24Å; S1808-T1810 PolarHBondContact O-N 3.06Å; S1808-T1810 PolarHBondContact O-OG1 2.96Å; S1808-T1810 PolarHBondContact OG-OG1 2.97Å
1809	I	32.5	Very low	35.5	Very low	160.2 Å²	160.2	72.1 Å²	72.1	82%	0.822	35%	0.354	S	S	*	.	S	Bend	trans	-65.1	5.4	-176.7	-62.6	165.7	0	0	0	112.9	Q1807 F1811	Q1807-I1809 PolarHBondContact O-N 2.88Å; I1809-F1811 WeakPolarHBondContact O-CD2 3.49Å; I1809-F1811 PolarHBondContact O-N 3.05Å
1810	T	33.5	Very low	35.1	Very low	70.8 Å²	70.8	71.1 Å²	71.1	43%	0.434	35%	0.349	S	S	.	.			trans	-89.1	92	-176.2	46.9	0	0	0	0	112.8	S1808 Y1812	S1808-T1810 VanDerWaalsContact CB-OG1 3.28Å; S1808-T1810 WeakPolarHBondContact CB-OG1 3.24Å; S1808-T1810 PolarHBondContact O-N 3.06Å; S1808-T1810 PolarHBondContact O-OG1 2.96Å; S1808-T1810 PolarHBondContact OG-OG1 2.97Å; T1810-Y1812 VanDerWaalsContact O-CD2 3.22Å; T1810-Y1812 WeakPolarHBondContact O-CD2 3.5Å; T1810-Y1812 WeakPolarHBondContact O-CE2 3.34Å; T1810-Y1812 PolarHBondContact O-N 3.11Å; T1810-Y1812 WeakPolarHBondContact OG1-CE2 3.33Å; T1810-Y1812 PolarHBondContact OG1-OH 3.16Å; T1810-Y1812 VanDerWaalsContact OG1-OH 3.09Å
1811	F	31	Very low	34.4	Very low	113.6 Å²	113.6	72.2 Å²	72.2	50%	0.498	35%	0.352	S	S	.	.			trans	-86.7	114.7	170.9	-70.3	-94.9	0	0	0	110.7	W1777 N1778 F1804 I1809 Y1813 F1814 I1842	W1777-F1811 WeakPolarHBondContact O-CZ 3.44Å; N1778-F1811 HydrophobicContact CB-CE1 4.47Å; N1778-F1811 HydrophobicContact CB-CZ 4.16Å; N1778-F1811 WeakPolarHBondContact OD1-CE1 3.39Å; N1778-F1811 WeakPolarHBondContact OD1-CZ 3Å; F1804-F1811 HydrophobicContact CB-CD1 4.44Å; F1804-F1811 HydrophobicContact CD1-CD1 4.34Å; F1804-F1811 HydrophobicContact CD1-CE1 4.42Å; F1804-F1811 HydrophobicContact CD2-CB 4.46Å; F1804-F1811 AromaticContact CD2-CD1 3.55Å; F1804-F1811 HydrophobicContact CD2-CD1 3.55Å; F1804-F1811 HydrophobicContact CD2-CD2 4.31Å; F1804-F1811 AromaticContact CD2-CE1 3.4Å; F1804-F1811 HydrophobicContact CD2-CE1 3.4Å; F1804-F1811 HydrophobicContact CD2-CE2 4.27Å; F1804-F1811 AromaticContact CD2-CG 3.87Å; F1804-F1811 HydrophobicContact CD2-CG 3.87Å; F1804-F1811 AromaticContact CD2-CZ 3.51Å; F1804-F1811 HydrophobicContact CD2-CZ 3.99Å; F1804-F1811 AromaticContact CE1-CD1 3.95Å; F1804-F1811 HydrophobicContact CE1-CD1 3.95Å; F1804-F1811 HydrophobicContact CE1-CE1 4.03Å; F1804-F1811 AromaticContact CE2-CD1 3.6Å; F1804-F1811 HydrophobicContact CE2-CD1 4.02Å; F1804-F1811 HydrophobicContact CE2-CD2 4.28Å; F1804-F1811 AromaticContact CE2-CE1 3.47Å; F1804-F1811 HydrophobicContact CE2-CE1 3.47Å; F1804-F1811 AromaticContact CE2-CE2 3.87Å; F1804-F1811 HydrophobicContact CE2-CE2 3.87Å; F1804-F1811 HydrophobicContact CE2-CG 4.26Å; F1804-F1811 AromaticContact CE2-CZ 3.59Å; F1804-F1811 HydrophobicContact CE2-CZ 3.59Å; F1804-F1811 VanDerWaalsContact CE2-CZ 3.44Å; F1804-F1811 HydrophobicContact CG-CD1 4.2Å; F1804-F1811 AromaticContact CG-CE1 3.9Å; F1804-F1811 HydrophobicContact CG-CE1 4.16Å; F1804-F1811 AromaticContact CZ-CE1 3.98Å; F1804-F1811 HydrophobicContact CZ-CE1 3.98Å; F1804-F1811 HydrophobicContact CZ-CZ 4.25Å; I1809-F1811 WeakPolarHBondContact O-CD2 3.49Å; I1809-F1811 PolarHBondContact O-N 3.05Å; F1811-Y1813 HydrophobicContact CB-CD2 4.42Å; F1811-Y1813 HydrophobicContact CB-CE2 4.14Å; F1811-F1814 HydrophobicContact CD1-CB 4.37Å; F1811-F1814 AromaticContact CD1-CD2 3.58Å; F1811-F1814 HydrophobicContact CD1-CD2 3.58Å; F1811-F1814 HydrophobicContact CD1-CE2 4.26Å; F1811-F1814 HydrophobicContact CD1-CG 4.27Å; F1811-F1814 AromaticContact CE1-CD2 3.51Å; F1811-F1814 HydrophobicContact CE1-CD2 3.51Å; F1811-F1814 AromaticContact CE1-CE2 3.71Å; F1811-F1814 HydrophobicContact CE1-CE2 3.71Å; F1811-F1814 HydrophobicContact CE1-CG 4.4Å; F1811-I1842 WeakPolarHBondContact O-CA 3.4Å; F1811-I1842 WeakPolarHBondContact O-CG1 3.43Å; F1811-I1842 PolarHBondContact O-N 2.7Å
1812	Y	36.7	Very low	34.2	Very low	119.8 Å²	119.8	74.3 Å²	74.3	47%	0.47	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	102.3	170	-69.1	-84.7	0	0	0	111	L1802 I1803 T1810 F1814 I1842	L1802-Y1812 WeakPolarHBondContact CA-O 3.26Å; I1803-Y1812 CarbonylContact C-O 3.58Å; I1803-Y1812 PolarHBondContact N-O 3.06Å; I1803-Y1812 VanDerWaalsContact N-O 3.14Å; I1803-Y1812 CarbonylContact O-C 3.41Å; I1803-Y1812 WeakPolarHBondContact O-CA 3.36Å; I1803-Y1812 VanDerWaalsContact O-CB 3.22Å; I1803-Y1812 WeakPolarHBondContact O-CB 3.41Å; I1803-Y1812 PolarHBondContact O-N 3.07Å; T1810-Y1812 VanDerWaalsContact O-CD2 3.22Å; T1810-Y1812 WeakPolarHBondContact O-CD2 3.5Å; T1810-Y1812 WeakPolarHBondContact O-CE2 3.34Å; T1810-Y1812 PolarHBondContact O-N 3.11Å; T1810-Y1812 WeakPolarHBondContact OG1-CE2 3.33Å; T1810-Y1812 PolarHBondContact OG1-OH 3.16Å; T1810-Y1812 VanDerWaalsContact OG1-OH 3.09Å; Y1812-F1814 HydrophobicContact CG-CE2 4.38Å; Y1812-I1842 HydrophobicContact CD1-CD1 3.9Å; Y1812-I1842 HydrophobicContact CD1-CG1 4.21Å; Y1812-I1842 HydrophobicContact CE1-CD1 3.94Å; Y1812-I1842 HydrophobicContact CE1-CG1 4.39Å
1813	Y	32.2	Very low	33.7	Very low	118.8 Å²	118.8	78.5 Å²	78.5	47%	0.466	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	110.2	177	-123	-98.5	0	0	0	109.8	L1802 F1811 N1815 T1840 N1841	L1802-Y1813 HydrophobicContact CB-CD2 4Å; L1802-Y1813 HydrophobicContact CB-CE2 4.46Å; L1802-Y1813 HydrophobicContact CD1-CD2 4.04Å; L1802-Y1813 HydrophobicContact CD1-CE2 3.98Å; L1802-Y1813 HydrophobicContact CD2-CD1 3.67Å; L1802-Y1813 HydrophobicContact CD2-CE1 3.37Å; L1802-Y1813 HydrophobicContact CD2-CG 4.46Å; L1802-Y1813 HydrophobicContact CG-CD1 4.35Å; L1802-Y1813 HydrophobicContact CG-CD2 3.96Å; L1802-Y1813 HydrophobicContact CG-CE1 4.18Å; L1802-Y1813 HydrophobicContact CG-CE2 4.31Å; F1811-Y1813 HydrophobicContact CB-CD2 4.42Å; F1811-Y1813 HydrophobicContact CB-CE2 4.14Å; Y1813-N1815 WeakPolarHBondContact CE1-ND2 3.3Å; Y1813-N1815 WeakPolarHBondContact CE1-OD1 3.46Å; Y1813-N1815 PolarHBondContact OH-ND2 3.04Å; Y1813-N1815 PolarHBondContact OH-OD1 2.97Å; Y1813-T1840 WeakPolarHBondContact O-CA 3.39Å; Y1813-T1840 WeakPolarHBondContact O-CB 3.38Å; Y1813-T1840 WeakPolarHBondContact O-CG2 3.06Å; Y1813-N1841 HydrophobicContact CD1-CB 3.94Å; Y1813-N1841 HydrophobicContact CG-CB 4.28Å
1814	F	35.3	Very low	33.2	Very low	75 Å²	75	85.3 Å²	85.3	33%	0.329	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	105.8	177.9	-74.7	-88.3	0	0	0	109.2	N1800 L1801 I1803 F1811 Y1812 Q1816 D1839 T1840 I1876	N1800-F1814 CarbonylContact C-O 3.45Å; N1800-F1814 WeakPolarHBondContact CA-O 3.32Å; L1801-F1814 WeakPolarHBondContact CA-O 3.18Å; L1801-F1814 HydrophobicContact CB-CB 4.19Å; L1801-F1814 WeakPolarHBondContact CB-O 3.43Å; L1801-F1814 HydrophobicContact CD2-CB 4.19Å; L1801-F1814 HydrophobicContact CD2-CD2 3.6Å; L1801-F1814 HydrophobicContact CD2-CE2 4.39Å; L1801-F1814 HydrophobicContact CD2-CG 4.24Å; L1801-F1814 PolarHBondContact N-O 2.93Å; L1801-F1814 CarbonylContact O-C 3.01Å; L1801-F1814 VanDerWaalsContact O-C 3.28Å; L1801-F1814 VanDerWaalsContact O-CA 3.31Å; L1801-F1814 WeakPolarHBondContact O-CA 3.38Å; L1801-F1814 WeakPolarHBondContact O-CB 3.17Å; L1801-F1814 PolarHBondContact O-N 2.79Å; L1801-F1814 VanDerWaalsContact O-O 3.04Å; I1803-F1814 HydrophobicContact CD1-CD2 4.22Å; I1803-F1814 HydrophobicContact CD1-CE2 3.95Å; F1811-F1814 HydrophobicContact CD1-CB 4.37Å; F1811-F1814 AromaticContact CD1-CD2 3.58Å; F1811-F1814 HydrophobicContact CD1-CD2 3.58Å; F1811-F1814 HydrophobicContact CD1-CE2 4.26Å; F1811-F1814 HydrophobicContact CD1-CG 4.27Å; F1811-F1814 AromaticContact CE1-CD2 3.51Å; F1811-F1814 HydrophobicContact CE1-CD2 3.51Å; F1811-F1814 AromaticContact CE1-CE2 3.71Å; F1811-F1814 HydrophobicContact CE1-CE2 3.71Å; F1811-F1814 HydrophobicContact CE1-CG 4.4Å; Y1812-F1814 HydrophobicContact CG-CE2 4.38Å; F1814-Q1816 PolarHBondContact O-N 2.81Å; F1814-D1839 CarbonylContact C-O 3.46Å; F1814-D1839 WeakPolarHBondContact CA-O 3.34Å; F1814-T1840 HydrophobicContact CD1-CG2 3.73Å; F1814-T1840 HydrophobicContact CE1-CG2 4.04Å; F1814-I1876 HydrophobicContact CZ-CD1 4.12Å
1815	N	32.7	Very low	32.9	Very low	71.8 Å²	71.8	89.4 Å²	89.4	38%	0.384	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.1	168	-75.9	-1.8	0	0	0	108.7	N1800 Y1813 W1838 D1839	N1800-N1815 WeakPolarHBondContact CB-OD1 3.21Å; N1800-N1815 WeakPolarHBondContact OD1-CA 3.14Å; N1800-N1815 VanDerWaalsContact OD1-CB 3.31Å; N1800-N1815 WeakPolarHBondContact OD1-CB 3.27Å; N1800-N1815 VanDerWaalsContact OD1-CG 3.28Å; N1800-N1815 PolarHBondContact OD1-OD1 2.7Å; N1800-N1815 VanDerWaalsContact OD1-OD1 3.09Å; Y1813-N1815 WeakPolarHBondContact CE1-ND2 3.3Å; Y1813-N1815 WeakPolarHBondContact CE1-OD1 3.46Å; Y1813-N1815 PolarHBondContact OH-ND2 3.04Å; Y1813-N1815 PolarHBondContact OH-OD1 2.97Å; N1815-W1838 VanDerWaalsContact O-CA 3.22Å; N1815-W1838 WeakPolarHBondContact O-CA 2.98Å; N1815-D1839 HydrophobicContact CB-CB 4.27Å; N1815-D1839 PolarHBondContact N-O 3.21Å; N1815-D1839 PolarHBondContact O-N 3.08Å; N1815-D1839 VanDerWaalsContact O-N 3.08Å
1816	Q	36.6	Very low	32.6	Very low	50.2 Å²	50.2	96.3 Å²	96.3	24%	0.235	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.4	168.1	-121.3	179.3	-16.4	0	0	108.7	Q1798 Q1799 N1800 F1814 L1836 Q1837 W1838	Q1798-Q1816 CarbonylContact C-O 3.53Å; Q1798-Q1816 WeakPolarHBondContact CA-O 3.37Å; Q1799-Q1816 CarbonylContact C-O 2.91Å; Q1799-Q1816 VanDerWaalsContact C-O 3.28Å; Q1799-Q1816 WeakPolarHBondContact CA-O 3.29Å; Q1799-Q1816 HydrophobicContact CB-CB 4.22Å; Q1799-Q1816 HydrophobicContact CB-CG 4.18Å; Q1799-Q1816 WeakPolarHBondContact CB-O 3.42Å; Q1799-Q1816 PolarHBondContact N-O 2.85Å; Q1799-Q1816 VanDerWaalsContact O-CB 3.29Å; Q1799-Q1816 WeakPolarHBondContact O-CB 2.89Å; Q1799-Q1816 PolarHBondContact O-N 3.16Å; N1800-Q1816 PolarHBondContact OD1-N 2.94Å; N1800-Q1816 PolarHBondContact OD1-O 3.43Å; F1814-Q1816 PolarHBondContact O-N 2.81Å; Q1816-L1836 HydrophobicContact CG-CD2 3.68Å; Q1816-Q1837 CarbonylContact C-O 3.57Å; Q1816-Q1837 VanDerWaalsContact CA-O 3.25Å; Q1816-Q1837 WeakPolarHBondContact CA-O 3.02Å; Q1816-W1838 HydrophobicContact CG-CD2 4.06Å; Q1816-W1838 HydrophobicContact CG-CE3 4.08Å; Q1816-W1838 HydrophobicContact CG-CG 4.46Å; Q1816-W1838 VanDerWaalsContact NE2-CZ3 3.27Å
1817	S	34.2	Very low	32.2	Very low	42 Å²	42	96.8 Å²	96.8	29%	0.294	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.8	168.5	57.7	0	0	0	0	110.8	I1797 Y1835 L1836 Q1837	I1797-S1817 CarbonylContact O-C 3.28Å; I1797-S1817 WeakPolarHBondContact O-CA 2.99Å; S1817-Y1835 CarbonylContact C-O 3.09Å; S1817-L1836 CarbonylContact O-C 3.24Å; S1817-L1836 WeakPolarHBondContact O-CA 2.98Å; S1817-Q1837 PolarHBondContact N-O 2.92Å; S1817-Q1837 PolarHBondContact O-N 3.06Å; S1817-Q1837 VanDerWaalsContact O-N 3.12Å; S1817-Q1837 WeakPolarHBondContact OG-CB 3.4Å; S1817-Q1837 PolarHBondContact OG-O 2.74Å
1818	L	33.8	Very low	31.6	Very low	34.8 Å²	34.8	98.4 Å²	98.4	18%	0.182	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.6	178	-84.4	154.4	0	0	0	108.6	F1782 I1796 I1797 Q1799 I1805 F1820 L1834 Y1835 L1836	F1782-L1818 HydrophobicContact CE2-CD2 4.12Å; F1782-L1818 HydrophobicContact CZ-CD2 4.48Å; I1796-L1818 CarbonylContact C-O 3.55Å; I1796-L1818 VanDerWaalsContact CA-O 3.28Å; I1796-L1818 WeakPolarHBondContact CA-O 3.3Å; I1797-L1818 HydrophobicContact CB-CB 4.18Å; I1797-L1818 HydrophobicContact CB-CD1 4.26Å; I1797-L1818 PolarHBondContact N-O 2.84Å; I1797-L1818 VanDerWaalsContact N-O 3.1Å; I1797-L1818 WeakPolarHBondContact O-CB 2.85Å; I1797-L1818 PolarHBondContact O-N 2.98Å; Q1799-L1818 HydrophobicContact CG-CD1 4.41Å; I1805-L1818 HydrophobicContact CD1-CD1 4.05Å; L1818-F1820 HydrophobicContact CB-CD2 4.39Å; L1818-F1820 HydrophobicContact CB-CE2 4.13Å; L1818-F1820 HydrophobicContact CD2-CE2 4.3Å; L1818-F1820 HydrophobicContact CD2-CZ 4.37Å; L1818-F1820 WeakPolarHBondContact O-CD2 3.06Å; L1818-L1834 HydrophobicContact CB-CD2 4.12Å; L1818-L1834 HydrophobicContact CD2-CD2 3.46Å; L1818-L1834 VanDerWaalsContact CD2-CD2 3.43Å; L1818-L1834 HydrophobicContact CG-CD2 4.41Å; L1818-Y1835 CarbonylContact C-O 3.58Å; L1818-Y1835 WeakPolarHBondContact CA-O 3.21Å; L1818-L1836 HydrophobicContact CD1-CD2 4.46Å; L1818-L1836 HydrophobicContact CD2-CD1 4.11Å; L1818-L1836 HydrophobicContact CD2-CD2 3.61Å; L1818-L1836 HydrophobicContact CD2-CG 4.04Å; L1818-L1836 HydrophobicContact CG-CD2 3.94Å; L1818-L1836 HydrophobicContact CG-CG 4.16Å
1819	F	31.6	Very low	31.2	Very low	78.4 Å²	78.4	103.1 Å²	103.1	34%	0.344	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.7	178.6	-175.8	-92.5	0	0	0	110.6	V1433 L1434 I1796 E1821 L1834 Y1835	V1433-F1819 HydrophobicContact CB-CE1 4.17Å; V1433-F1819 HydrophobicContact CB-CZ 4.5Å; V1433-F1819 HydrophobicContact CG1-CD1 3.61Å; V1433-F1819 HydrophobicContact CG1-CE1 3.43Å; V1433-F1819 VanDerWaalsContact CG1-CE1 3.43Å; V1433-F1819 HydrophobicContact CG1-CG 4.26Å; V1433-F1819 HydrophobicContact CG1-CZ 4Å; L1434-F1819 HydrophobicContact CB-CE2 4.23Å; L1434-F1819 HydrophobicContact CB-CZ 4.32Å; L1434-F1819 WeakPolarHBondContact O-CD2 3.1Å; L1434-F1819 WeakPolarHBondContact O-CE2 3.25Å; I1796-F1819 HydrophobicContact CD1-CD2 3.92Å; I1796-F1819 HydrophobicContact CD1-CE2 3.96Å; I1796-F1819 HydrophobicContact CG1-CB 3.93Å; I1796-F1819 HydrophobicContact CG1-CD2 3.57Å; I1796-F1819 HydrophobicContact CG1-CE2 3.95Å; I1796-F1819 HydrophobicContact CG1-CG 3.99Å; I1796-F1819 HydrophobicContact CG2-CB 4.14Å; F1819-E1821 HydrophobicContact CD1-CB 4.31Å; F1819-E1821 HydrophobicContact CE1-CB 3.77Å; F1819-E1821 HydrophobicContact CE1-CG 4.08Å; F1819-E1821 HydrophobicContact CZ-CB 3.84Å; F1819-E1821 HydrophobicContact CZ-CG 4.01Å; F1819-E1821 PolarHBondContact O-N 3.36Å; F1819-L1834 CarbonylContact O-C 3.43Å; F1819-L1834 WeakPolarHBondContact O-CA 3.34Å; F1819-L1834 PolarHBondContact O-N 2.95Å; F1819-Y1835 HydrophobicContact CB-CD2 3.97Å; F1819-Y1835 HydrophobicContact CB-CG 4.34Å; F1819-Y1835 AromaticContact CD1-CD2 3.75Å; F1819-Y1835 HydrophobicContact CD1-CD2 3.75Å; F1819-Y1835 HydrophobicContact CG-CD2 4.08Å; F1819-Y1835 PolarHBondContact N-O 3.05Å; F1819-Y1835 WeakPolarHBondContact O-CB 3.5Å; F1819-Y1835 PolarHBondContact O-N 2.98Å
1820	F	31.5	Very low	31	Very low	54.2 Å²	54.2	101.3 Å²	101.3	24%	0.238	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.9	171.9	-68.5	-95.6	0	0	0	110.3	S1794 S1795 I1797 L1801 I1803 L1818 N1822 Y1831 Y1833 L1834	S1794-F1820 CarbonylContact C-O 3.51Å; S1794-F1820 VanDerWaalsContact CA-O 3.3Å; S1794-F1820 WeakPolarHBondContact CA-O 2.75Å; S1794-F1820 WeakPolarHBondContact CB-O 3.43Å; S1795-F1820 PolarHBondContact N-O 3.43Å; S1795-F1820 WeakPolarHBondContact O-CA 2.97Å; S1795-F1820 WeakPolarHBondContact O-CB 3.26Å; S1795-F1820 WeakPolarHBondContact O-CD2 3.23Å; S1795-F1820 WeakPolarHBondContact O-CG 3.29Å; S1795-F1820 PolarHBondContact O-N 3.14Å; S1795-F1820 WeakPolarHBondContact OG-CB 3.13Å; S1795-F1820 PolarHBondContact OG-O 2.83Å; I1797-F1820 HydrophobicContact CD1-CD2 4.26Å; I1797-F1820 HydrophobicContact CD1-CE2 4.06Å; I1797-F1820 HydrophobicContact CD1-CZ 4.17Å; I1797-F1820 HydrophobicContact CG1-CE2 4.08Å; L1801-F1820 HydrophobicContact CD2-CE1 4.47Å; L1801-F1820 HydrophobicContact CD2-CZ 4.46Å; I1803-F1820 HydrophobicContact CD1-CE2 3.83Å; I1803-F1820 HydrophobicContact CD1-CZ 3.74Å; L1818-F1820 HydrophobicContact CB-CD2 4.39Å; L1818-F1820 HydrophobicContact CB-CE2 4.13Å; L1818-F1820 HydrophobicContact CD2-CE2 4.3Å; L1818-F1820 HydrophobicContact CD2-CZ 4.37Å; L1818-F1820 WeakPolarHBondContact O-CD2 3.06Å; F1820-N1822 PolarHBondContact O-N 3.04Å; F1820-N1822 VanDerWaalsContact O-N 3.14Å; F1820-Y1831 HydrophobicContact CB-CE1 4.44Å; F1820-Y1831 AromaticContact CD1-CD1 3.65Å; F1820-Y1831 HydrophobicContact CD1-CD1 3.95Å; F1820-Y1831 AromaticContact CD1-CE1 3.69Å; F1820-Y1831 HydrophobicContact CD1-CE1 4.01Å; F1820-Y1831 HydrophobicContact CD1-CG 4.09Å; F1820-Y1831 HydrophobicContact CE1-CD1 4.3Å; F1820-Y1831 HydrophobicContact CE1-CD2 4.4Å; F1820-Y1831 HydrophobicContact CE1-CE1 4.37Å; F1820-Y1831 HydrophobicContact CE1-CE2 4.47Å; F1820-Y1831 HydrophobicContact CE1-CG 4.31Å; F1820-Y1831 HydrophobicContact CG-CE1 4.39Å; F1820-Y1833 WeakPolarHBondContact CA-O 3.1Å; F1820-Y1833 VanDerWaalsContact CB-O 3.25Å; F1820-Y1833 WeakPolarHBondContact CB-O 3.25Å; F1820-Y1833 WeakPolarHBondContact CG-O 3.12Å; F1820-L1834 HydrophobicContact CD1-CD1 4.31Å; F1820-L1834 HydrophobicContact CD1-CD2 4.37Å; F1820-L1834 HydrophobicContact CD1-CG 3.84Å; F1820-L1834 HydrophobicContact CD2-CD2 3.91Å; F1820-L1834 HydrophobicContact CD2-CG 4.17Å; F1820-L1834 HydrophobicContact CE1-CD1 3.79Å; F1820-L1834 HydrophobicContact CE1-CD2 3.98Å; F1820-L1834 HydrophobicContact CE1-CG 4.14Å; F1820-L1834 HydrophobicContact CE2-CD2 3.47Å; F1820-L1834 VanDerWaalsContact CE2-CD2 3.47Å; F1820-L1834 HydrophobicContact CE2-CG 4.01Å; F1820-L1834 HydrophobicContact CG-CD2 4.36Å; F1820-L1834 HydrophobicContact CG-CG 4.1Å; F1820-L1834 HydrophobicContact CZ-CD1 4.04Å; F1820-L1834 HydrophobicContact CZ-CD2 3.52Å; F1820-L1834 HydrophobicContact CZ-CG 3.77Å
1821	E	29.8	Very low	30.7	Very low	82.8 Å²	82.8	104.2 Å²	104.2	39%	0.387	50%	0.499	S	S	.	.			trans	-102.8	108.5	174.3	-152.1	-175.4	-145.9	0	0	110.6	V1433 L1434 S1793 F1819 K1823 K1832 Y1833	V1433-E1821 WeakPolarHBondContact CA-OE2 3.04Å; V1433-E1821 PolarHBondContact N-OE2 2.65Å; L1434-E1821 HydrophobicContact CB-CG 4.36Å; S1793-E1821 WeakPolarHBondContact O-CG 3.42Å; F1819-E1821 HydrophobicContact CD1-CB 4.31Å; F1819-E1821 HydrophobicContact CE1-CB 3.77Å; F1819-E1821 HydrophobicContact CE1-CG 4.08Å; F1819-E1821 HydrophobicContact CZ-CB 3.84Å; F1819-E1821 HydrophobicContact CZ-CG 4.01Å; F1819-E1821 PolarHBondContact O-N 3.36Å; E1821-K1823 VanDerWaalsContact C-N 3.29Å; E1821-K1823 HydrophobicContact CG-CG 4.34Å; E1821-K1823 PolarHBondContact O-N 3.31Å; E1821-K1823 IonicContact OE1-NZ 3.07Å; E1821-K1823 PolarHBondContact OE1-NZ 2.89Å; E1821-K1823 VanDerWaalsContact OE2-CE 3.3Å; E1821-K1823 WeakPolarHBondContact OE2-CE 3.21Å; E1821-K1823 IonicContact OE2-NZ 2.73Å; E1821-K1823 PolarHBondContact OE2-NZ 3.08Å; E1821-K1832 PolarHBondContact O-N 2.76Å; E1821-Y1833 HydrophobicContact CB-CD2 4.23Å
1822	N	30.3	Very low	30.6	Very low	78 Å²	78	106 Å²	106	42%	0.417	51%	0.507	S	S	.	.			trans	-97.2	86.8	176.7	-128.1	8.2	0	0	0	110.2	S1793 F1820 F1824 Y1831	S1793-N1822 WeakPolarHBondContact CA-O 3.46Å; S1793-N1822 WeakPolarHBondContact CB-O 2.82Å; S1793-N1822 CarbonylContact O-C 3.58Å; S1793-N1822 PolarHBondContact O-N 2.84Å; F1820-N1822 PolarHBondContact O-N 3.04Å; F1820-N1822 VanDerWaalsContact O-N 3.14Å; N1822-F1824 VanDerWaalsContact C-N 3.35Å; N1822-F1824 HydrophobicContact CB-CD2 4.35Å; N1822-F1824 HydrophobicContact CB-CE2 4.19Å; N1822-F1824 WeakPolarHBondContact O-CD2 3.22Å; N1822-F1824 PolarHBondContact O-N 3.02Å; N1822-F1824 WeakPolarHBondContact OD1-CD2 3.47Å; N1822-Y1831 HydrophobicContact CB-CD1 4.2Å; N1822-Y1831 WeakPolarHBondContact ND2-CE2 3.47Å
1823	K	28.6	Very low	30.2	Very low	145.6 Å²	145.6	107 Å²	107	63%	0.633	51%	0.511	S	S	*	.			trans	-78.5	97.7	167.5	-82.1	-175.6	175.1	139.4	0	109.3	L1432 E1821 I1825 Y1865	L1432-K1823 HydrophobicContact CD1-CD 3.92Å; E1821-K1823 VanDerWaalsContact C-N 3.29Å; E1821-K1823 HydrophobicContact CG-CG 4.34Å; E1821-K1823 PolarHBondContact O-N 3.31Å; E1821-K1823 IonicContact OE1-NZ 3.07Å; E1821-K1823 PolarHBondContact OE1-NZ 2.89Å; E1821-K1823 VanDerWaalsContact OE2-CE 3.3Å; E1821-K1823 WeakPolarHBondContact OE2-CE 3.21Å; E1821-K1823 IonicContact OE2-NZ 2.73Å; E1821-K1823 PolarHBondContact OE2-NZ 3.08Å; K1823-I1825 PolarHBondContact O-N 3.11Å; K1823-I1825 VanDerWaalsContact O-N 3.12Å; K1823-Y1865 HydrophobicContact CG-CD1 4.41Å; K1823-Y1865 HydrophobicContact CG-CE1 3.95Å
1824	F	26.4	Very low	30	Very low	169.2 Å²	169.2	105.4 Å²	105.4	74%	0.742	51%	0.51	S	S	*	.			trans	-67.5	112.1	171.9	-86.3	-92.3	0	0	0	111.2	N1822 E1826	N1822-F1824 VanDerWaalsContact C-N 3.35Å; N1822-F1824 HydrophobicContact CB-CD2 4.35Å; N1822-F1824 HydrophobicContact CB-CE2 4.19Å; N1822-F1824 WeakPolarHBondContact O-CD2 3.22Å; N1822-F1824 PolarHBondContact O-N 3.02Å; N1822-F1824 WeakPolarHBondContact OD1-CD2 3.47Å; F1824-E1826 PolarHBondContact O-N 2.82Å
1825	I	27	Very low	29.7	Very low	142.8 Å²	142.8	107.6 Å²	107.6	73%	0.732	52%	0.517	S	S	*	.			trans	-120.1	125.6	156.3	-60.7	176.9	0	0	0	105.1	K1823 S1827	K1823-I1825 PolarHBondContact O-N 3.11Å; K1823-I1825 VanDerWaalsContact O-N 3.12Å; I1825-S1827 PolarHBondContact O-N 3.2Å
1826	E	31.5	Very low	29.5	Very low	185 Å²	185	107.5 Å²	107.5	86%	0.864	52%	0.516	S	S	*	.	S	Bend	trans	-54.8	87.3	-169.4	-60.5	174.3	140.6	0	0	115.6	F1824 L1828	F1824-E1826 PolarHBondContact O-N 2.82Å; E1826-L1828 PolarHBondContact O-N 3.24Å
1827	S	29.4	Very low	29.2	Very low	90.2 Å²	90.2	109.6 Å²	109.6	63%	0.631	53%	0.526	S	S	*	.	S	Bend	trans	170.4	90	171.6	56.2	0	0	0	0	116.1	I1825 N1829 Q2333	I1825-S1827 PolarHBondContact O-N 3.2Å; S1827-N1829 PolarHBondContact O-N 3.21Å; S1827-Q2333 VanDerWaalsContact OG-CD 3.27Å; S1827-Q2333 PolarHBondContact OG-NE2 3.33Å; S1827-Q2333 PolarHBondContact OG-OE1 3.41Å
1828	L	25.8	Very low	29	Very low	134.4 Å²	134.4	114.1 Å²	114.1	70%	0.704	54%	0.536	S	S	*	.			trans	-53.8	99.2	159.2	-81.4	161.2	0	0	0	115.3	E1826 I1830 K2358	E1826-L1828 PolarHBondContact O-N 3.24Å; L1828-I1830 VanDerWaalsContact C-N 3.26Å; L1828-I1830 HydrophobicContact CB-CD1 4.1Å; L1828-I1830 HydrophobicContact CB-CG1 4.19Å; L1828-I1830 HydrophobicContact CD1-CD1 4.09Å; L1828-I1830 HydrophobicContact CD2-CD1 4.4Å; L1828-I1830 HydrophobicContact CD2-CG1 4.41Å; L1828-I1830 HydrophobicContact CG-CD1 4.41Å; L1828-I1830 PolarHBondContact O-N 3.16Å; L1828-K2358 HydrophobicContact CD1-CB 3.7Å; L1828-K2358 HydrophobicContact CD1-CD 3.34Å; L1828-K2358 HydrophobicContact CD1-CG 3.63Å
1829	N	25.6	Very low	28.8	Very low	146.6 Å²	146.6	116.6 Å²	116.6	78%	0.784	55%	0.55	S	S	*	.			trans	-59.4	89.5	172.2	-67.5	-10.4	0	0	0	113.1	S1827	S1827-N1829 PolarHBondContact O-N 3.21Å
1830	I	26.5	Very low	28.8	Very low	122.8 Å²	122.8	115.8 Å²	115.8	63%	0.63	55%	0.551	S	S	*	*			trans	-117.2	114.3	160	-65.7	163.8	0	0	0	107.7	L1828 K1832	L1828-I1830 VanDerWaalsContact C-N 3.26Å; L1828-I1830 HydrophobicContact CB-CD1 4.1Å; L1828-I1830 HydrophobicContact CB-CG1 4.19Å; L1828-I1830 HydrophobicContact CD1-CD1 4.09Å; L1828-I1830 HydrophobicContact CD2-CD1 4.4Å; L1828-I1830 HydrophobicContact CD2-CG1 4.41Å; L1828-I1830 HydrophobicContact CG-CD1 4.41Å; L1828-I1830 PolarHBondContact O-N 3.16Å; I1830-K1832 HydrophobicContact CG2-CG 4.01Å; I1830-K1832 PolarHBondContact O-N 3.09Å
1831	Y	28.3	Very low	28.6	Very low	132.6 Å²	132.6	119.6 Å²	119.6	52%	0.52	57%	0.574	S	S	.	*			trans	-60.2	114.2	170.2	-64.5	-79.4	0	0	0	109.1	F1820 N1822 Y1833	F1820-Y1831 HydrophobicContact CB-CE1 4.44Å; F1820-Y1831 AromaticContact CD1-CD1 3.65Å; F1820-Y1831 HydrophobicContact CD1-CD1 3.95Å; F1820-Y1831 AromaticContact CD1-CE1 3.69Å; F1820-Y1831 HydrophobicContact CD1-CE1 4.01Å; F1820-Y1831 HydrophobicContact CD1-CG 4.09Å; F1820-Y1831 HydrophobicContact CE1-CD1 4.3Å; F1820-Y1831 HydrophobicContact CE1-CD2 4.4Å; F1820-Y1831 HydrophobicContact CE1-CE1 4.37Å; F1820-Y1831 HydrophobicContact CE1-CE2 4.47Å; F1820-Y1831 HydrophobicContact CE1-CG 4.31Å; F1820-Y1831 HydrophobicContact CG-CE1 4.39Å; N1822-Y1831 HydrophobicContact CB-CD1 4.2Å; N1822-Y1831 WeakPolarHBondContact ND2-CE2 3.47Å; Y1831-Y1833 VanDerWaalsContact C-N 3.29Å; Y1831-Y1833 PolarHBondContact O-N 3.27Å
1832	K	28.9	Very low	28.6	Very low	151.8 Å²	151.8	120.3 Å²	120.3	66%	0.66	58%	0.58	S	S	*	*			trans	-78.9	-27.3	-173.1	-93.4	178	178.8	172.4	0	114	L1430 E1821 I1830	L1430-K1832 HydrophobicContact CD2-CD 3.74Å; E1821-K1832 PolarHBondContact O-N 2.76Å; I1830-K1832 HydrophobicContact CG2-CG 4.01Å; I1830-K1832 PolarHBondContact O-N 3.09Å
1833	Y	28.2	Very low	28.3	Very low	139.2 Å²	139.2	124 Å²	124	55%	0.546	60%	0.598	S	S	.	*			trans	-142.5	140.4	-178.6	-58.3	-70.5	0	0	0	110.9	I1402 L1430 E1431 L1432 F1820 E1821 Y1831 Y1835	I1402-Y1833 HydrophobicContact CB-CD1 3.85Å; I1402-Y1833 HydrophobicContact CB-CE1 3.65Å; I1402-Y1833 HydrophobicContact CD1-CD1 3.23Å; I1402-Y1833 HydrophobicContact CD1-CD2 4.31Å; I1402-Y1833 HydrophobicContact CD1-CE1 3.42Å; I1402-Y1833 VanDerWaalsContact CD1-CE1 3.42Å; I1402-Y1833 HydrophobicContact CD1-CE2 4.43Å; I1402-Y1833 HydrophobicContact CD1-CG 3.76Å; I1402-Y1833 HydrophobicContact CG1-CD1 3.3Å; I1402-Y1833 HydrophobicContact CG1-CE1 3.62Å; I1402-Y1833 HydrophobicContact CG1-CG 4.19Å; I1402-Y1833 HydrophobicContact CG2-CD1 3.93Å; I1402-Y1833 HydrophobicContact CG2-CE1 3.78Å; L1430-Y1833 WeakPolarHBondContact CD2-OH 3.02Å; E1431-Y1833 WeakPolarHBondContact CA-OH 3.46Å; E1431-Y1833 PolarHBondContact N-OH 3.15Å; E1431-Y1833 PolarHBondContact O-OH 2.87Å; L1432-Y1833 VanDerWaalsContact CA-CE2 3.44Å; L1432-Y1833 HydrophobicContact CB-CD2 4.38Å; L1432-Y1833 HydrophobicContact CB-CE2 3.77Å; L1432-Y1833 PolarHBondContact N-OH 3.41Å; L1432-Y1833 WeakPolarHBondContact O-CD2 3.29Å; F1820-Y1833 WeakPolarHBondContact CA-O 3.1Å; F1820-Y1833 VanDerWaalsContact CB-O 3.25Å; F1820-Y1833 WeakPolarHBondContact CB-O 3.25Å; F1820-Y1833 WeakPolarHBondContact CG-O 3.12Å; E1821-Y1833 HydrophobicContact CB-CD2 4.23Å; Y1831-Y1833 VanDerWaalsContact C-N 3.29Å; Y1831-Y1833 PolarHBondContact O-N 3.27Å; Y1833-Y1835 HydrophobicContact CG-CE2 4.42Å
1834	L	28.1	Very low	28.1	Very low	86 Å²	86	121.5 Å²	121.5	45%	0.45	60%	0.599	S	S	.	*			trans	-131.3	107.5	176.9	-145.4	164.2	0	0	0	106.2	I1391 L1818 F1819 F1820 L1836 F1868 F1889	I1391-L1834 WeakPolarHBondContact CD1-O 3.28Å; L1818-L1834 HydrophobicContact CB-CD2 4.12Å; L1818-L1834 HydrophobicContact CD2-CD2 3.46Å; L1818-L1834 VanDerWaalsContact CD2-CD2 3.43Å; L1818-L1834 HydrophobicContact CG-CD2 4.41Å; F1819-L1834 CarbonylContact O-C 3.43Å; F1819-L1834 WeakPolarHBondContact O-CA 3.34Å; F1819-L1834 PolarHBondContact O-N 2.95Å; F1820-L1834 HydrophobicContact CD1-CD1 4.31Å; F1820-L1834 HydrophobicContact CD1-CD2 4.37Å; F1820-L1834 HydrophobicContact CD1-CG 3.84Å; F1820-L1834 HydrophobicContact CD2-CD2 3.91Å; F1820-L1834 HydrophobicContact CD2-CG 4.17Å; F1820-L1834 HydrophobicContact CE1-CD1 3.79Å; F1820-L1834 HydrophobicContact CE1-CD2 3.98Å; F1820-L1834 HydrophobicContact CE1-CG 4.14Å; F1820-L1834 HydrophobicContact CE2-CD2 3.47Å; F1820-L1834 VanDerWaalsContact CE2-CD2 3.47Å; F1820-L1834 HydrophobicContact CE2-CG 4.01Å; F1820-L1834 HydrophobicContact CG-CD2 4.36Å; F1820-L1834 HydrophobicContact CG-CG 4.1Å; F1820-L1834 HydrophobicContact CZ-CD1 4.04Å; F1820-L1834 HydrophobicContact CZ-CD2 3.52Å; F1820-L1834 HydrophobicContact CZ-CG 3.77Å; L1834-L1836 HydrophobicContact CD2-CD1 4.23Å; L1834-L1836 HydrophobicContact CD2-CG 4.04Å; L1834-F1868 HydrophobicContact CD1-CD1 4.49Å; L1834-F1868 HydrophobicContact CD1-CE1 4.26Å; L1834-F1868 HydrophobicContact CD1-CE2 4.5Å; L1834-F1868 HydrophobicContact CD1-CZ 4.29Å; L1834-F1889 HydrophobicContact CD1-CZ 4.29Å
1835	Y	28.8	Very low	28	Very low	120.8 Å²	120.8	118.2 Å²	118.2	47%	0.474	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107	118.6	-173.1	-122.9	-75.8	0	0	0	110.1	F1393 L1400 V1433 S1817 L1818 F1819 Y1833 Q1837 Y1892	F1393-Y1835 HydrophobicContact CB-CE1 3.92Å; F1393-Y1835 AromaticContact CD1-CE1 3.94Å; F1393-Y1835 HydrophobicContact CD1-CE1 3.94Å; F1393-Y1835 AromaticContact CD2-CE1 3.95Å; F1393-Y1835 HydrophobicContact CD2-CE1 3.95Å; F1393-Y1835 AromaticContact CD2-CZ 3.9Å; F1393-Y1835 WeakPolarHBondContact CD2-OH 3.41Å; F1393-Y1835 HydrophobicContact CE1-CE1 4.42Å; F1393-Y1835 HydrophobicContact CE2-CE1 4.47Å; F1393-Y1835 WeakPolarHBondContact CE2-OH 3.3Å; F1393-Y1835 AromaticContact CG-CE1 3.68Å; F1393-Y1835 HydrophobicContact CG-CE1 3.68Å; F1393-Y1835 WeakPolarHBondContact CZ-OH 3.32Å; L1400-Y1835 HydrophobicContact CB-CE2 3.8Å; L1400-Y1835 HydrophobicContact CD1-CD1 3.88Å; L1400-Y1835 HydrophobicContact CD1-CD2 4.14Å; L1400-Y1835 HydrophobicContact CD1-CE1 3.73Å; L1400-Y1835 HydrophobicContact CD1-CE2 4Å; L1400-Y1835 HydrophobicContact CD1-CG 4.06Å; L1400-Y1835 HydrophobicContact CD2-CD2 3.64Å; L1400-Y1835 HydrophobicContact CD2-CE2 3.67Å; L1400-Y1835 HydrophobicContact CD2-CG 4.21Å; L1400-Y1835 HydrophobicContact CG-CD2 4.33Å; L1400-Y1835 HydrophobicContact CG-CE2 4.02Å; V1433-Y1835 HydrophobicContact CG1-CD2 4.02Å; V1433-Y1835 HydrophobicContact CG1-CE2 3.83Å; S1817-Y1835 CarbonylContact C-O 3.09Å; L1818-Y1835 CarbonylContact C-O 3.58Å; L1818-Y1835 WeakPolarHBondContact CA-O 3.21Å; F1819-Y1835 HydrophobicContact CB-CD2 3.97Å; F1819-Y1835 HydrophobicContact CB-CG 4.34Å; F1819-Y1835 AromaticContact CD1-CD2 3.75Å; F1819-Y1835 HydrophobicContact CD1-CD2 3.75Å; F1819-Y1835 HydrophobicContact CG-CD2 4.08Å; F1819-Y1835 PolarHBondContact N-O 3.05Å; F1819-Y1835 WeakPolarHBondContact O-CB 3.5Å; F1819-Y1835 PolarHBondContact O-N 2.98Å; Y1833-Y1835 HydrophobicContact CG-CE2 4.42Å; Y1835-Q1837 HydrophobicContact CE1-CB 4.2Å; Y1835-Y1892 PolarHBondContact OH-O 2.75Å
1836	L	29	Very low	28	Very low	69.2 Å²	69.2	118.8 Å²	118.8	36%	0.362	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.4	115.8	179.2	-82.6	159.8	0	0	0	109.3	Q1816 S1817 L1818 L1834 W1838 L1851 W1872 F1880	Q1816-L1836 HydrophobicContact CG-CD2 3.68Å; S1817-L1836 CarbonylContact O-C 3.24Å; S1817-L1836 WeakPolarHBondContact O-CA 2.98Å; L1818-L1836 HydrophobicContact CD1-CD2 4.46Å; L1818-L1836 HydrophobicContact CD2-CD1 4.11Å; L1818-L1836 HydrophobicContact CD2-CD2 3.61Å; L1818-L1836 HydrophobicContact CD2-CG 4.04Å; L1818-L1836 HydrophobicContact CG-CD2 3.94Å; L1818-L1836 HydrophobicContact CG-CG 4.16Å; L1834-L1836 HydrophobicContact CD2-CD1 4.23Å; L1834-L1836 HydrophobicContact CD2-CG 4.04Å; L1836-W1838 HydrophobicContact CD2-CZ2 4.48Å; L1836-L1851 HydrophobicContact CD1-CD1 4.15Å; L1836-W1872 HydrophobicContact CD1-CZ2 4.06Å; L1836-W1872 HydrophobicContact CD2-CZ2 4.32Å; L1836-F1880 HydrophobicContact CD1-CE2 4.06Å; L1836-F1880 HydrophobicContact CD2-CE2 4.49Å; L1836-F1880 HydrophobicContact CD2-CZ 4.3Å
1837	Q	30.3	Very low	27.7	Very low	94.6 Å²	94.6	117.3 Å²	117.3	44%	0.442	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.1	129.2	173.8	-177.1	174.7	-11.4	0	0	109.7	Q1816 S1817 Y1835 D1839 M1847 Y1893	Q1816-Q1837 CarbonylContact C-O 3.57Å; Q1816-Q1837 VanDerWaalsContact CA-O 3.25Å; Q1816-Q1837 WeakPolarHBondContact CA-O 3.02Å; S1817-Q1837 PolarHBondContact N-O 2.92Å; S1817-Q1837 PolarHBondContact O-N 3.06Å; S1817-Q1837 VanDerWaalsContact O-N 3.12Å; S1817-Q1837 WeakPolarHBondContact OG-CB 3.4Å; S1817-Q1837 PolarHBondContact OG-O 2.74Å; Y1835-Q1837 HydrophobicContact CE1-CB 4.2Å; Q1837-D1839 PolarHBondContact NE2-OD2 2.77Å; Q1837-M1847 HydrophobicContact CB-CE 4.41Å; Q1837-M1847 HydrophobicContact CG-CE 4.15Å; Q1837-Y1893 HydrophobicContact CG-CE1 4.26Å
1838	W	29.9	Very low	27.5	Very low	137.4 Å²	137.4	117 Å²	117	52%	0.52	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.8	117.2	-174.7	-82.3	28.4	0	0	0	110.1	N1815 Q1816 L1836 T1840 W1872 L1878	N1815-W1838 VanDerWaalsContact O-CA 3.22Å; N1815-W1838 WeakPolarHBondContact O-CA 2.98Å; Q1816-W1838 HydrophobicContact CG-CD2 4.06Å; Q1816-W1838 HydrophobicContact CG-CE3 4.08Å; Q1816-W1838 HydrophobicContact CG-CG 4.46Å; Q1816-W1838 VanDerWaalsContact NE2-CZ3 3.27Å; L1836-W1838 HydrophobicContact CD2-CZ2 4.48Å; W1838-T1840 HydrophobicContact CD2-CG2 4.35Å; W1838-W1872 HydrophobicContact CB-CH2 4.17Å; W1838-W1872 HydrophobicContact CD2-CE3 4.38Å; W1838-W1872 AromaticContact CD2-CH2 3.56Å; W1838-W1872 HydrophobicContact CD2-CH2 3.56Å; W1838-W1872 AromaticContact CD2-CZ2 3.37Å; W1838-W1872 HydrophobicContact CD2-CZ2 3.37Å; W1838-W1872 AromaticContact CD2-CZ3 3.7Å; W1838-W1872 HydrophobicContact CD2-CZ3 3.7Å; W1838-W1872 AromaticContact CE2-CZ2 3.46Å; W1838-W1872 VanDerWaalsContact CE2-CZ2 3.46Å; W1838-W1872 AromaticContact CE2-CZ3 3.72Å; W1838-W1872 HydrophobicContact CE3-CE3 4.46Å; W1838-W1872 AromaticContact CE3-CH2 3.38Å; W1838-W1872 HydrophobicContact CE3-CH2 3.38Å; W1838-W1872 AromaticContact CE3-CZ2 3.38Å; W1838-W1872 HydrophobicContact CE3-CZ2 3.38Å; W1838-W1872 AromaticContact CE3-CZ3 3.94Å; W1838-W1872 HydrophobicContact CE3-CZ3 4.12Å; W1838-W1872 AromaticContact CG-CH2 3.95Å; W1838-W1872 HydrophobicContact CG-CH2 3.95Å; W1838-W1872 HydrophobicContact CG-CZ2 4.01Å; W1838-W1872 HydrophobicContact CG-CZ3 4.13Å; W1838-W1872 AromaticContact CH2-CE2 3.75Å; W1838-W1872 AromaticContact CH2-CE3 3.96Å; W1838-W1872 HydrophobicContact CH2-CE3 3.96Å; W1838-W1872 HydrophobicContact CH2-CH2 4.35Å; W1838-W1872 AromaticContact CH2-CZ2 3.54Å; W1838-W1872 HydrophobicContact CH2-CZ2 3.54Å; W1838-W1872 HydrophobicContact CH2-CZ3 4.23Å; W1838-W1872 AromaticContact CH2-NE1 3.81Å; W1838-W1872 AromaticContact CZ2-CE3 3.85Å; W1838-W1872 HydrophobicContact CZ2-CE3 3.85Å; W1838-W1872 AromaticContact CZ2-CZ2 3.58Å; W1838-W1872 HydrophobicContact CZ2-CZ2 3.58Å; W1838-W1872 AromaticContact CZ2-CZ3 4Å; W1838-W1872 HydrophobicContact CZ2-CZ3 4Å; W1838-W1872 AromaticContact CZ3-CE2 3.9Å; W1838-W1872 HydrophobicContact CZ3-CE3 4.27Å; W1838-W1872 AromaticContact CZ3-CH2 3.81Å; W1838-W1872 HydrophobicContact CZ3-CH2 3.81Å; W1838-W1872 AromaticContact CZ3-CZ2 3.46Å; W1838-W1872 HydrophobicContact CZ3-CZ2 3.46Å; W1838-W1872 VanDerWaalsContact CZ3-CZ2 3.46Å; W1838-W1872 HydrophobicContact CZ3-CZ3 4.2Å; W1838-L1878 HydrophobicContact CH2-CB 4.26Å; W1838-L1878 HydrophobicContact CH2-CD1 3.9Å; W1838-L1878 HydrophobicContact CH2-CG 4.49Å; W1838-L1878 HydrophobicContact CZ3-CD1 4.36Å
1839	D	30	Very low	27.7	Very low	87.8 Å²	87.8	115.4 Å²	115.4	47%	0.47	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.8	124.3	173.8	-67	-40.8	0	0	0	109.8	F1814 N1815 Q1837	F1814-D1839 CarbonylContact C-O 3.46Å; F1814-D1839 WeakPolarHBondContact CA-O 3.34Å; N1815-D1839 HydrophobicContact CB-CB 4.27Å; N1815-D1839 PolarHBondContact N-O 3.21Å; N1815-D1839 PolarHBondContact O-N 3.08Å; N1815-D1839 VanDerWaalsContact O-N 3.08Å; Q1837-D1839 PolarHBondContact NE2-OD2 2.77Å
1840	T	30	Very low	27.7	Very low	60.4 Å²	60.4	114.8 Å²	114.8	37%	0.371	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.4	146.2	176.1	74.2	0	0	0	0	110.7	Y1813 F1814 W1838 I1842	Y1813-T1840 WeakPolarHBondContact O-CA 3.39Å; Y1813-T1840 WeakPolarHBondContact O-CB 3.38Å; Y1813-T1840 WeakPolarHBondContact O-CG2 3.06Å; F1814-T1840 HydrophobicContact CD1-CG2 3.73Å; F1814-T1840 HydrophobicContact CE1-CG2 4.04Å; W1838-T1840 HydrophobicContact CD2-CG2 4.35Å; T1840-I1842 PolarHBondContact O-N 3.11Å; T1840-I1842 VanDerWaalsContact O-N 3.12Å; T1840-I1842 PolarHBondContact OG1-O 3.43Å
1841	N	28.8	Very low	27.8	Very low	134.6 Å²	134.6	114.4 Å²	114.4	72%	0.72	58%	0.583	S	S	*	*			trans	-91.6	24.2	-176.9	-80.8	-13.9	0	0	0	114.1	Y1813 I1843	Y1813-N1841 HydrophobicContact CD1-CB 3.94Å; Y1813-N1841 HydrophobicContact CG-CB 4.28Å; N1841-I1843 PolarHBondContact O-N 2.79Å; N1841-I1843 VanDerWaalsContact O-N 3.15Å
1842	I	28.5	Very low	27.6	Very low	97.6 Å²	97.6	111.9 Å²	111.9	50%	0.501	59%	0.585	S	S	.	*			trans	-90.5	114.6	171.8	-59.3	173.5	0	0	0	108.4	F1811 Y1812 T1840 S1844	F1811-I1842 WeakPolarHBondContact O-CA 3.4Å; F1811-I1842 WeakPolarHBondContact O-CG1 3.43Å; F1811-I1842 PolarHBondContact O-N 2.7Å; Y1812-I1842 HydrophobicContact CD1-CD1 3.9Å; Y1812-I1842 HydrophobicContact CD1-CG1 4.21Å; Y1812-I1842 HydrophobicContact CE1-CD1 3.94Å; Y1812-I1842 HydrophobicContact CE1-CG1 4.39Å; T1840-I1842 PolarHBondContact O-N 3.11Å; T1840-I1842 VanDerWaalsContact O-N 3.12Å; T1840-I1842 PolarHBondContact OG1-O 3.43Å; I1842-S1844 PolarHBondContact O-N 2.89Å
1843	I	24	Very low	27.6	Very low	154.6 Å²	154.6	111.7 Å²	111.7	79%	0.793	58%	0.581	S	S	*	*			trans	-66.7	94	-178.9	-56.4	172.5	0	0	0	110.9	N1841 S1845	N1841-I1843 PolarHBondContact O-N 2.79Å; N1841-I1843 VanDerWaalsContact O-N 3.15Å; I1843-S1845 PolarHBondContact O-N 2.73Å
1844	S	23.9	Very low	27.5	Very low	94.4 Å²	94.4	111 Å²	111	66%	0.66	58%	0.58	S	S	*	*	S	Bend	trans	-175.3	103.8	155.4	52.9	0	0	0	0	113.1	I1842 H1846	I1842-S1844 PolarHBondContact O-N 2.89Å; S1844-H1846 PolarHBondContact O-N 2.99Å
1845	S	24.6	Very low	27.4	Very low	99.8 Å²	99.8	112.3 Å²	112.3	70%	0.698	58%	0.58	S	S	*	*			trans	44.2	78.5	158.2	63.4	0	0	0	0	117.9	I1843 M1847	I1843-S1845 PolarHBondContact O-N 2.73Å; S1845-M1847 PolarHBondContact O-N 2.88Å
1846	H	27.3	Very low	27.3	Very low	155.8 Å²	155.8	110.7 Å²	110.7	72%	0.721	58%	0.579	S	S	*	*			trans	-67.6	98.1	162.4	-70.9	-70.6	0	0	0	112.7	S1844 S1848	S1844-H1846 PolarHBondContact O-N 2.99Å; H1846-S1848 PolarHBondContact O-N 2.73Å
1847	M	24.8	Very low	27.2	Very low	152.2 Å²	152.2	113.5 Å²	113.5	75%	0.75	59%	0.588	S	S	*	*			trans	-108.5	105.4	150.5	-96	-64.5	-175.3	0	0	109.9	Q1837 S1845 S1849	Q1837-M1847 HydrophobicContact CB-CE 4.41Å; Q1837-M1847 HydrophobicContact CG-CE 4.15Å; S1845-M1847 PolarHBondContact O-N 2.88Å; M1847-S1849 PolarHBondContact O-N 3Å
1848	S	26.4	Very low	27.1	Very low	85.4 Å²	85.4	113.8 Å²	113.8	60%	0.597	59%	0.593	S	S	*	*			trans	-42.5	113.1	170.7	51.5	0	0	0	0	114.3	H1846 I1850 Q1968	H1846-S1848 PolarHBondContact O-N 2.73Å; S1848-I1850 PolarHBondContact O-N 3.12Å; S1848-Q1968 WeakPolarHBondContact CB-O 3.3Å; S1848-Q1968 PolarHBondContact OG-O 2.88Å
1849	S	28.6	Very low	27.2	Very low	100 Å²	100	114.5 Å²	114.5	70%	0.699	61%	0.605	S	S	*	*			trans	-85.5	108.5	162.4	51.7	0	0	0	0	110.3	M1847 L1851	M1847-S1849 PolarHBondContact O-N 3Å; S1849-L1851 VanDerWaalsContact C-N 3.29Å; S1849-L1851 PolarHBondContact O-N 2.92Å
1850	I	27.6	Very low	27.2	Very low	133.2 Å²	133.2	118.1 Å²	118.1	68%	0.683	62%	0.621	S	S	*	*			trans	-74.7	107.4	174.5	-61.5	171.8	0	0	0	108.4	S1848 S1852 D1871 Y1974	S1848-I1850 PolarHBondContact O-N 3.12Å; I1850-S1852 PolarHBondContact O-N 2.99Å; I1850-D1871 PolarHBondContact O-N 2.87Å; I1850-Y1974 HydrophobicContact CD1-CE1 4.16Å
1851	L	26.9	Very low	27.1	Very low	114.2 Å²	114.2	120.1 Å²	120.1	60%	0.598	63%	0.629	S	S	*	*			trans	-71.5	115.9	170.9	-83.6	159	0	0	0	109.6	L1836 S1849 Y1853 F1868	L1836-L1851 HydrophobicContact CD1-CD1 4.15Å; S1849-L1851 VanDerWaalsContact C-N 3.29Å; S1849-L1851 PolarHBondContact O-N 2.92Å; L1851-Y1853 PolarHBondContact O-N 3.45Å; L1851-F1868 HydrophobicContact CB-CD1 4.44Å; L1851-F1868 HydrophobicContact CD1-CD1 3.99Å; L1851-F1868 HydrophobicContact CD1-CE1 4.06Å; L1851-F1868 HydrophobicContact CD1-CZ 4.43Å; L1851-F1868 HydrophobicContact CD2-CB 4.27Å; L1851-F1868 HydrophobicContact CD2-CD1 4.28Å; L1851-F1868 HydrophobicContact CD2-CE1 3.86Å; L1851-F1868 VanDerWaalsContact CD2-CE1 3.42Å; L1851-F1868 HydrophobicContact CD2-CZ 3.97Å
1852	S	25.5	Very low	27.2	Very low	80.4 Å²	80.4	119.6 Å²	119.6	56%	0.562	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.5	115.5	177.7	58.4	0	0	0	0	111.3	I1850 K1854 F1869	I1850-S1852 PolarHBondContact O-N 2.99Å; S1852-K1854 VanDerWaalsContact C-N 3.3Å; S1852-K1854 PolarHBondContact O-N 3.35Å; S1852-F1869 PolarHBondContact N-O 3.2Å; S1852-F1869 VanDerWaalsContact N-O 3.14Å; S1852-F1869 PolarHBondContact O-N 2.82Å; S1852-F1869 VanDerWaalsContact O-O 3.06Å
1853	Y	27.5	Very low	27.1	Very low	149 Å²	149	117.4 Å²	117.4	58%	0.584	62%	0.622	S	S	*	*			trans	-86.1	119	175.1	176.2	-100.1	0	0	0	109.9	L1851 Y1855 E1866 F1868	L1851-Y1853 PolarHBondContact O-N 3.45Å; Y1853-Y1855 AromaticContact CE1-CD2 3.66Å; Y1853-Y1855 HydrophobicContact CE1-CD2 4.06Å; Y1853-Y1855 HydrophobicContact CE1-CG 4.44Å; Y1853-Y1855 AromaticContact CZ-CD2 3.92Å; Y1853-Y1855 VanDerWaalsContact OH-CD2 3.26Å; Y1853-Y1855 WeakPolarHBondContact OH-CD2 3.43Å; Y1853-E1866 PolarHBondContact OH-OE1 3.38Å; Y1853-F1868 AromaticContact CD2-CD2 3.77Å; Y1853-F1868 HydrophobicContact CD2-CD2 3.77Å; Y1853-F1868 AromaticContact CD2-CE2 3.51Å; Y1853-F1868 HydrophobicContact CD2-CE2 3.51Å; Y1853-F1868 HydrophobicContact CD2-CZ 4.16Å; Y1853-F1868 HydrophobicContact CE2-CD2 4.14Å; Y1853-F1868 AromaticContact CE2-CE2 3.9Å; Y1853-F1868 HydrophobicContact CE2-CE2 3.9Å
1854	K	27	Very low	27.3	Very low	122.8 Å²	122.8	114.3 Å²	114.3	53%	0.534	61%	0.607	S	S	.	*			trans	-121.5	102.9	-179.5	-154.9	176.2	-174.1	179.6	0	111.2	S1852 I1856 Q1867 F1880	S1852-K1854 VanDerWaalsContact C-N 3.3Å; S1852-K1854 PolarHBondContact O-N 3.35Å; K1854-I1856 HydrophobicContact CB-CG1 4.38Å; K1854-I1856 HydrophobicContact CD-CD1 4.27Å; K1854-I1856 HydrophobicContact CD-CG1 4.32Å; K1854-I1856 HydrophobicContact CG-CD1 4.38Å; K1854-I1856 HydrophobicContact CG-CG1 4.18Å; K1854-I1856 PolarHBondContact O-N 3.2Å; K1854-Q1867 PolarHBondContact N-O 2.77Å; K1854-Q1867 PolarHBondContact O-N 3.28Å; K1854-F1880 WeakPolarHBondContact CD-O 3.48Å; K1854-F1880 WeakPolarHBondContact CE-O 3.47Å; K1854-F1880 PolarHBondContact NZ-O 2.79Å
1855	Y	26	Very low	27.5	Very low	115 Å²	115	114.5 Å²	114.5	45%	0.451	59%	0.594	S	S	.	*			trans	-82.4	103.7	177.3	-167.3	-98.5	0	0	0	110.6	Y1853 K1857 I1864 E1866 R1983	Y1853-Y1855 AromaticContact CE1-CD2 3.66Å; Y1853-Y1855 HydrophobicContact CE1-CD2 4.06Å; Y1853-Y1855 HydrophobicContact CE1-CG 4.44Å; Y1853-Y1855 AromaticContact CZ-CD2 3.92Å; Y1853-Y1855 VanDerWaalsContact OH-CD2 3.26Å; Y1853-Y1855 WeakPolarHBondContact OH-CD2 3.43Å; Y1855-K1857 VanDerWaalsContact C-N 3.34Å; Y1855-K1857 HydrophobicContact CD1-CB 4.33Å; Y1855-K1857 HydrophobicContact CE1-CB 4.11Å; Y1855-K1857 HydrophobicContact CE1-CD 4.46Å; Y1855-K1857 HydrophobicContact CE1-CG 4.45Å; Y1855-K1857 PolarHBondContact O-N 2.94Å; Y1855-I1864 HydrophobicContact CE2-CG2 4.14Å; Y1855-E1866 HydrophobicContact CD2-CG 4.34Å; Y1855-E1866 HydrophobicContact CE2-CG 4.16Å; Y1855-R1983 PolarHBondContact OH-NH2 2.85Å; Y1855-R1983 VanDerWaalsContact OH-NH2 3.15Å
1856	I	27.4	Very low	27.7	Very low	85.4 Å²	85.4	113 Å²	113	44%	0.438	58%	0.576	S	S	.	*			trans	-101.4	95.2	177.2	-56.9	178.8	0	0	0	109	K1854 N1858 Y1865 F1869	K1854-I1856 HydrophobicContact CB-CG1 4.38Å; K1854-I1856 HydrophobicContact CD-CD1 4.27Å; K1854-I1856 HydrophobicContact CD-CG1 4.32Å; K1854-I1856 HydrophobicContact CG-CD1 4.38Å; K1854-I1856 HydrophobicContact CG-CG1 4.18Å; K1854-I1856 PolarHBondContact O-N 3.2Å; I1856-N1858 VanDerWaalsContact C-N 3.29Å; I1856-N1858 PolarHBondContact O-N 2.8Å; I1856-Y1865 PolarHBondContact N-O 2.84Å; I1856-F1869 HydrophobicContact CD1-CD2 4.48Å; I1856-F1869 HydrophobicContact CD1-CE2 3.77Å; I1856-F1869 HydrophobicContact CD1-CZ 4.11Å
1857	K	27.1	Very low	27.7	Very low	129.4 Å²	129.4	109.5 Å²	109.5	56%	0.563	56%	0.56	S	S	*	*			trans	-81	96.6	171.3	-163.6	-179.5	-175.2	-175	0	108.9	Y1855 I1859 Y1884 Y1918	Y1855-K1857 VanDerWaalsContact C-N 3.34Å; Y1855-K1857 HydrophobicContact CD1-CB 4.33Å; Y1855-K1857 HydrophobicContact CE1-CB 4.11Å; Y1855-K1857 HydrophobicContact CE1-CD 4.46Å; Y1855-K1857 HydrophobicContact CE1-CG 4.45Å; Y1855-K1857 PolarHBondContact O-N 2.94Å; K1857-I1859 PolarHBondContact O-N 3Å; K1857-I1859 VanDerWaalsContact O-N 3.13Å; K1857-Y1884 PolarHBondContact O-OH 3.04Å; K1857-Y1918 PolarHBondContact NZ-O 2.71Å
1858	N	27.8	Very low	27.9	Very low	99.6 Å²	99.6	107.1 Å²	107.1	53%	0.533	55%	0.545	S	S	.	.			trans	-73.2	111.8	179.9	-151.9	-4.7	0	0	0	109.7	I1856 M1860 N1861	I1856-N1858 VanDerWaalsContact C-N 3.29Å; I1856-N1858 PolarHBondContact O-N 2.8Å; N1858-M1860 PolarHBondContact O-N 2.91Å; N1858-M1860 VanDerWaalsContact O-N 3.1Å; N1858-N1861 PolarHBondContact O-N 3.07Å
1859	I	31.2	Very low	27.9	Very low	152.8 Å²	152.8	108.7 Å²	108.7	78%	0.784	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.6	-164.5	-69.6	174.1	0	0	0	113.9	K1857 N1861 Y1884	K1857-I1859 PolarHBondContact O-N 3Å; K1857-I1859 VanDerWaalsContact O-N 3.13Å; I1859-N1861 VanDerWaalsContact C-N 3.34Å; I1859-N1861 PolarHBondContact O-N 3.09Å; I1859-Y1884 HydrophobicContact CD1-CD1 3.96Å; I1859-Y1884 HydrophobicContact CD1-CE1 3.47Å; I1859-Y1884 VanDerWaalsContact CD1-CE1 3.47Å; I1859-Y1884 HydrophobicContact CG1-CE1 3.77Å
1860	M	30.7	Very low	28	Very low	164 Å²	164	105.3 Å²	105.3	81%	0.808	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-16.4	-175.5	-73	-66.2	-156.6	0	0	115.7	N1858 K1915	N1858-M1860 PolarHBondContact O-N 2.91Å; N1858-M1860 VanDerWaalsContact O-N 3.1Å; M1860-K1915 VanDerWaalsContact O-CE 3.32Å; M1860-K1915 WeakPolarHBondContact O-CE 3.36Å; M1860-K1915 PolarHBondContact O-NZ 2.87Å
1861	N	28	Very low	28.1	Very low	101.2 Å²	101.2	105 Å²	105	54%	0.541	52%	0.523	S	S	.	.	S	Bend	trans	-137.9	143.3	-176.6	-80.6	-25.5	0	0	0	111.7	N1858 I1859 T1863 M1911 E1913	N1858-N1861 PolarHBondContact O-N 3.07Å; I1859-N1861 VanDerWaalsContact C-N 3.34Å; I1859-N1861 PolarHBondContact O-N 3.09Å; N1861-T1863 PolarHBondContact O-N 2.96Å; N1861-T1863 VanDerWaalsContact O-N 3.15Å; N1861-M1911 PolarHBondContact ND2-SD 3.08Å; N1861-E1913 PolarHBondContact ND2-OE1 2.74Å
1862	T	30.6	Very low	28.3	Very low	124 Å²	124	105.8 Å²	105.8	76%	0.761	52%	0.517	S	S	*	.	S	Bend	trans	-83.2	17.7	-172.9	47.3	0	0	0	0	114.9	I1864 R1914 K1915	T1862-I1864 PolarHBondContact O-N 2.94Å; T1862-R1914 VanDerWaalsContact CB-O 3.31Å; T1862-R1914 WeakPolarHBondContact CB-O 3.37Å; T1862-R1914 PolarHBondContact OG1-O 3.3Å; T1862-K1915 HydrophobicContact CG2-CB 3.81Å; T1862-K1915 HydrophobicContact CG2-CD 3.83Å; T1862-K1915 HydrophobicContact CG2-CG 3.6Å; T1862-K1915 VanDerWaalsContact OG1-CA 3.26Å; T1862-K1915 WeakPolarHBondContact OG1-CA 3.43Å; T1862-K1915 WeakPolarHBondContact OG1-CG 3.3Å; T1862-K1915 PolarHBondContact OG1-N 3.31Å
1863	T	27.1	Very low	28.4	Very low	51.2 Å²	51.2	108.2 Å²	108.2	31%	0.314	52%	0.524	S	S	.	.			trans	-97.9	124	175.7	47.3	0	0	0	0	110.7	N1861 Y1865 K1915	N1861-T1863 PolarHBondContact O-N 2.96Å; N1861-T1863 VanDerWaalsContact O-N 3.15Å; T1863-Y1865 PolarHBondContact O-N 2.89Å; T1863-Y1865 VanDerWaalsContact OG1-CE2 3.3Å; T1863-Y1865 WeakPolarHBondContact OG1-CE2 3.44Å; T1863-Y1865 PolarHBondContact OG1-OH 3.09Å; T1863-K1915 HydrophobicContact CG2-CD 4.16Å; T1863-K1915 HydrophobicContact CG2-CG 3.88Å
1864	I	27.5	Very low	28.5	Very low	89.8 Å²	89.8	104.8 Å²	104.8	46%	0.461	52%	0.522	S	S	.	.			trans	-84.6	123.4	176	-57.9	172.3	0	0	0	108.4	Y1855 T1862 E1866 N1912	Y1855-I1864 HydrophobicContact CE2-CG2 4.14Å; T1862-I1864 PolarHBondContact O-N 2.94Å; I1864-E1866 HydrophobicContact CG2-CG 4.4Å; I1864-N1912 VanDerWaalsContact O-O 3.08Å
1865	Y	28.4	Very low	28.6	Very low	98.4 Å²	98.4	102.5 Å²	102.5	39%	0.386	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.5	172	-64	-82.3	0	0	0	109.4	K1823 I1856 T1863 Q1867 I1881 N1912 E1913	K1823-Y1865 HydrophobicContact CG-CD1 4.41Å; K1823-Y1865 HydrophobicContact CG-CE1 3.95Å; I1856-Y1865 PolarHBondContact N-O 2.84Å; T1863-Y1865 PolarHBondContact O-N 2.89Å; T1863-Y1865 VanDerWaalsContact OG1-CE2 3.3Å; T1863-Y1865 WeakPolarHBondContact OG1-CE2 3.44Å; T1863-Y1865 PolarHBondContact OG1-OH 3.09Å; Y1865-Q1867 VanDerWaalsContact C-N 3.3Å; Y1865-Q1867 PolarHBondContact O-N 2.89Å; Y1865-I1881 HydrophobicContact CD1-CG2 3.57Å; Y1865-I1881 HydrophobicContact CE1-CG2 4.34Å; Y1865-I1881 HydrophobicContact CG-CG2 4.29Å; Y1865-N1912 WeakPolarHBondContact CA-O 3.4Å; Y1865-E1913 HydrophobicContact CD1-CG 4.2Å; Y1865-E1913 HydrophobicContact CE1-CG 3.7Å
1866	E	27.6	Very low	28.6	Very low	69.4 Å²	69.4	101.4 Å²	101.4	32%	0.324	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.5	167	-67	-175.6	161.6	0	0	108.4	Y1853 Y1855 I1864 F1868 Q1882 Y1884 N1912 R1914	Y1853-E1866 PolarHBondContact OH-OE1 3.38Å; Y1855-E1866 HydrophobicContact CD2-CG 4.34Å; Y1855-E1866 HydrophobicContact CE2-CG 4.16Å; I1864-E1866 HydrophobicContact CG2-CG 4.4Å; E1866-F1868 HydrophobicContact CB-CE2 4.23Å; E1866-Q1882 PolarHBondContact O-N 2.85Å; E1866-Y1884 HydrophobicContact CG-CD2 4.38Å; E1866-Y1884 HydrophobicContact CG-CE2 4.48Å; E1866-Y1884 WeakPolarHBondContact OE1-CE2 3.37Å; E1866-Y1884 WeakPolarHBondContact OE2-CE2 3.39Å; E1866-N1912 HydrophobicContact CB-CB 4.22Å; E1866-N1912 PolarHBondContact O-N 3.01Å; E1866-N1912 PolarHBondContact OE2-ND2 3.25Å; E1866-R1914 VanDerWaalsContact CD-NH2 3.29Å; E1866-R1914 IonicContact OE1-CZ 2.68Å; E1866-R1914 VanDerWaalsContact OE1-CZ 3.3Å; E1866-R1914 IonicContact OE1-NH1 3.3Å; E1866-R1914 PolarHBondContact OE1-NH1 2.96Å; E1866-R1914 IonicContact OE1-NH2 2.66Å; E1866-R1914 PolarHBondContact OE1-NH2 2.81Å; E1866-R1914 VanDerWaalsContact OE1-NH2 3.14Å; E1866-R1914 IonicContact OE2-CZ 2.65Å; E1866-R1914 IonicContact OE2-NH1 3.58Å; E1866-R1914 IonicContact OE2-NH2 2.75Å; E1866-R1914 PolarHBondContact OE2-NH2 3.21Å
1867	Q	28.2	Very low	28.6	Very low	81.4 Å²	81.4	103.5 Å²	103.5	38%	0.38	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126	177	-70.6	-176.3	-20.6	0	0	109.7	K1854 Y1865 F1869 M1911	K1854-Q1867 PolarHBondContact N-O 2.77Å; K1854-Q1867 PolarHBondContact O-N 3.28Å; Y1865-Q1867 VanDerWaalsContact C-N 3.3Å; Y1865-Q1867 PolarHBondContact O-N 2.89Å; Q1867-F1869 HydrophobicContact CB-CD2 4.19Å; Q1867-F1869 HydrophobicContact CB-CE2 4.13Å; Q1867-F1869 HydrophobicContact CB-CZ 4.3Å; Q1867-F1869 HydrophobicContact CG-CE2 4.46Å; Q1867-F1869 PolarHBondContact O-N 2.71Å; Q1867-F1869 VanDerWaalsContact OE1-CE2 3.29Å; Q1867-M1911 HydrophobicContact CG-SD 3.71Å; Q1867-M1911 PolarHBondContact NE2-SD 2.82Å
1868	F	29.8	Very low	28.5	Very low	102.2 Å²	102.2	101.1 Å²	101.1	45%	0.448	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.2	173.5	-106.2	-91.8	0	0	0	109.3	L1834 L1851 Y1853 E1866 F1880 K1910	L1834-F1868 HydrophobicContact CD1-CD1 4.49Å; L1834-F1868 HydrophobicContact CD1-CE1 4.26Å; L1834-F1868 HydrophobicContact CD1-CE2 4.5Å; L1834-F1868 HydrophobicContact CD1-CZ 4.29Å; L1851-F1868 HydrophobicContact CB-CD1 4.44Å; L1851-F1868 HydrophobicContact CD1-CD1 3.99Å; L1851-F1868 HydrophobicContact CD1-CE1 4.06Å; L1851-F1868 HydrophobicContact CD1-CZ 4.43Å; L1851-F1868 HydrophobicContact CD2-CB 4.27Å; L1851-F1868 HydrophobicContact CD2-CD1 4.28Å; L1851-F1868 HydrophobicContact CD2-CE1 3.86Å; L1851-F1868 VanDerWaalsContact CD2-CE1 3.42Å; L1851-F1868 HydrophobicContact CD2-CZ 3.97Å; Y1853-F1868 AromaticContact CD2-CD2 3.77Å; Y1853-F1868 HydrophobicContact CD2-CD2 3.77Å; Y1853-F1868 AromaticContact CD2-CE2 3.51Å; Y1853-F1868 HydrophobicContact CD2-CE2 3.51Å; Y1853-F1868 HydrophobicContact CD2-CZ 4.16Å; Y1853-F1868 HydrophobicContact CE2-CD2 4.14Å; Y1853-F1868 AromaticContact CE2-CE2 3.9Å; Y1853-F1868 HydrophobicContact CE2-CE2 3.9Å; E1866-F1868 HydrophobicContact CB-CE2 4.23Å; F1868-F1880 HydrophobicContact CB-CB 4.25Å; F1868-F1880 HydrophobicContact CD2-CB 4.36Å; F1868-F1880 PolarHBondContact N-O 2.84Å; F1868-K1910 HydrophobicContact CB-CB 4.48Å
1869	F	26.6	Very low	28.5	Very low	119.8 Å²	119.8	100.2 Å²	100.2	53%	0.525	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.3	170.8	-76.1	-87.3	0	0	0	109.4	S1852 I1856 Q1867 L1879 T1909	S1852-F1869 PolarHBondContact N-O 3.2Å; S1852-F1869 VanDerWaalsContact N-O 3.14Å; S1852-F1869 PolarHBondContact O-N 2.82Å; S1852-F1869 VanDerWaalsContact O-O 3.06Å; I1856-F1869 HydrophobicContact CD1-CD2 4.48Å; I1856-F1869 HydrophobicContact CD1-CE2 3.77Å; I1856-F1869 HydrophobicContact CD1-CZ 4.11Å; Q1867-F1869 HydrophobicContact CB-CD2 4.19Å; Q1867-F1869 HydrophobicContact CB-CE2 4.13Å; Q1867-F1869 HydrophobicContact CB-CZ 4.3Å; Q1867-F1869 HydrophobicContact CG-CE2 4.46Å; Q1867-F1869 PolarHBondContact O-N 2.71Å; Q1867-F1869 VanDerWaalsContact OE1-CE2 3.29Å; F1869-L1879 HydrophobicContact CD1-CD1 4.2Å; F1869-L1879 HydrophobicContact CE1-CD1 3.7Å; F1869-L1879 HydrophobicContact CZ-CD1 3.88Å; F1869-T1909 HydrophobicContact CD1-CG2 4.31Å; F1869-T1909 HydrophobicContact CE1-CG2 3.98Å
1870	G	30.1	Very low	28.2	Very low	29 Å²	29	98.3 Å²	98.3	30%	0.299	50%	0.5	S	S	.	.			trans	-135.3	120	166.8	0	0	0	0	0	108.8	W1872	G1870-W1872 VanDerWaalsContact O-CD1 3.29Å; G1870-W1872 PolarHBondContact O-N 2.85Å
1871	D	29.1	Very low	28	Very low	127 Å²	127	94.2 Å²	94.2	68%	0.679	48%	0.48	S	S	*	.			trans	-89.1	118.9	171.7	-92.1	-30.2	0	0	0	108.7	I1850 Y1877 N1907	I1850-D1871 PolarHBondContact O-N 2.87Å; D1871-Y1877 WeakPolarHBondContact OD1-CE1 3.34Å; D1871-N1907 PolarHBondContact OD1-ND2 2.97Å
1872	W	32.2	Very low	27.9	Very low	129.8 Å²	129.8	94.2 Å²	94.2	49%	0.492	48%	0.477	S	S	.	.			trans	-106.2	108.6	178.7	-58	54.7	0	0	0	110.4	L1836 W1838 G1870 S1874 I1876 Y1877 L1878 F1880 G1906 I1908 Y1974	L1836-W1872 HydrophobicContact CD1-CZ2 4.06Å; L1836-W1872 HydrophobicContact CD2-CZ2 4.32Å; W1838-W1872 HydrophobicContact CB-CH2 4.17Å; W1838-W1872 HydrophobicContact CD2-CE3 4.38Å; W1838-W1872 AromaticContact CD2-CH2 3.56Å; W1838-W1872 HydrophobicContact CD2-CH2 3.56Å; W1838-W1872 AromaticContact CD2-CZ2 3.37Å; W1838-W1872 HydrophobicContact CD2-CZ2 3.37Å; W1838-W1872 AromaticContact CD2-CZ3 3.7Å; W1838-W1872 HydrophobicContact CD2-CZ3 3.7Å; W1838-W1872 AromaticContact CE2-CZ2 3.46Å; W1838-W1872 VanDerWaalsContact CE2-CZ2 3.46Å; W1838-W1872 AromaticContact CE2-CZ3 3.72Å; W1838-W1872 HydrophobicContact CE3-CE3 4.46Å; W1838-W1872 AromaticContact CE3-CH2 3.38Å; W1838-W1872 HydrophobicContact CE3-CH2 3.38Å; W1838-W1872 AromaticContact CE3-CZ2 3.38Å; W1838-W1872 HydrophobicContact CE3-CZ2 3.38Å; W1838-W1872 AromaticContact CE3-CZ3 3.94Å; W1838-W1872 HydrophobicContact CE3-CZ3 4.12Å; W1838-W1872 AromaticContact CG-CH2 3.95Å; W1838-W1872 HydrophobicContact CG-CH2 3.95Å; W1838-W1872 HydrophobicContact CG-CZ2 4.01Å; W1838-W1872 HydrophobicContact CG-CZ3 4.13Å; W1838-W1872 AromaticContact CH2-CE2 3.75Å; W1838-W1872 AromaticContact CH2-CE3 3.96Å; W1838-W1872 HydrophobicContact CH2-CE3 3.96Å; W1838-W1872 HydrophobicContact CH2-CH2 4.35Å; W1838-W1872 AromaticContact CH2-CZ2 3.54Å; W1838-W1872 HydrophobicContact CH2-CZ2 3.54Å; W1838-W1872 HydrophobicContact CH2-CZ3 4.23Å; W1838-W1872 AromaticContact CH2-NE1 3.81Å; W1838-W1872 AromaticContact CZ2-CE3 3.85Å; W1838-W1872 HydrophobicContact CZ2-CE3 3.85Å; W1838-W1872 AromaticContact CZ2-CZ2 3.58Å; W1838-W1872 HydrophobicContact CZ2-CZ2 3.58Å; W1838-W1872 AromaticContact CZ2-CZ3 4Å; W1838-W1872 HydrophobicContact CZ2-CZ3 4Å; W1838-W1872 AromaticContact CZ3-CE2 3.9Å; W1838-W1872 HydrophobicContact CZ3-CE3 4.27Å; W1838-W1872 AromaticContact CZ3-CH2 3.81Å; W1838-W1872 HydrophobicContact CZ3-CH2 3.81Å; W1838-W1872 AromaticContact CZ3-CZ2 3.46Å; W1838-W1872 HydrophobicContact CZ3-CZ2 3.46Å; W1838-W1872 VanDerWaalsContact CZ3-CZ2 3.46Å; W1838-W1872 HydrophobicContact CZ3-CZ3 4.2Å; G1870-W1872 VanDerWaalsContact O-CD1 3.29Å; G1870-W1872 PolarHBondContact O-N 2.85Å; W1872-S1874 VanDerWaalsContact C-N 3.27Å; W1872-S1874 PolarHBondContact O-N 2.87Å; W1872-I1876 WeakPolarHBondContact CB-O 3.31Å; W1872-Y1877 WeakPolarHBondContact O-CE1 3.4Å; W1872-L1878 HydrophobicContact CE3-CB 4.18Å; W1872-L1878 WeakPolarHBondContact CH2-O 3.32Å; W1872-L1878 HydrophobicContact CZ3-CB 3.96Å; W1872-L1878 WeakPolarHBondContact CZ3-O 3.16Å; W1872-F1880 HydrophobicContact CE3-CE2 4.09Å; W1872-F1880 AromaticContact CZ3-CD2 3.95Å; W1872-F1880 HydrophobicContact CZ3-CD2 3.95Å; W1872-F1880 AromaticContact CZ3-CE2 3.67Å; W1872-F1880 HydrophobicContact CZ3-CE2 3.67Å; W1872-G1906 PolarHBondContact NE1-O 3.03Å; W1872-I1908 HydrophobicContact CH2-CD1 4.06Å; W1872-I1908 HydrophobicContact CZ3-CD1 4.33Å; W1872-Y1974 HydrophobicContact CH2-CE1 4.46Å; W1872-Y1974 HydrophobicContact CZ3-CE1 4.22Å
1873	N	27.5	Very low	27.7	Very low	130 Å²	130	92.3 Å²	92.3	70%	0.695	46%	0.462	S	S	*	.			trans	-111.4	94.5	179.6	-91.3	-9.9	0	0	0	112.2	S1875 Y1877 H1905	N1873-S1875 PolarHBondContact O-N 2.82Å; N1873-Y1877 PolarHBondContact OD1-OH 2.83Å; N1873-H1905 PolarHBondContact OD1-CE1 2.72Å; N1873-H1905 PolarHBondContact OD1-ND1 2.83Å
1874	S	28.5	Very low	27.8	Very low	79.4 Å²	79.4	95.7 Å²	95.7	56%	0.555	47%	0.47	S	S	*	.	S	Bend	trans	-170.5	120.1	161.8	59	0	0	0	0	115.4	W1872 I1876 H1898	W1872-S1874 VanDerWaalsContact C-N 3.27Å; W1872-S1874 PolarHBondContact O-N 2.87Å; S1874-I1876 PolarHBondContact O-N 2.97Å; S1874-I1876 PolarHBondContact OG-O 2.89Å; S1874-H1898 PolarHBondContact O-CD2 2.82Å
1875	S	28.4	Very low	27.7	Very low	73.2 Å²	73.2	100.4 Å²	100.4	51%	0.512	49%	0.488	S	S	.	.	S	Bend	trans	-99	16.7	161.6	57	0	0	0	0	115.3	N1873 T1896	N1873-S1875 PolarHBondContact O-N 2.82Å; S1875-T1896 VanDerWaalsContact C-OG1 3.24Å; S1875-T1896 WeakPolarHBondContact CA-OG1 3.49Å; S1875-T1896 WeakPolarHBondContact CB-OG1 3.47Å; S1875-T1896 CarbonylContact O-C 3.58Å; S1875-T1896 PolarHBondContact O-N 2.91Å; S1875-T1896 VanDerWaalsContact O-N 3.08Å; S1875-T1896 VanDerWaalsContact O-O 3.07Å; S1875-T1896 PolarHBondContact O-OG1 3.1Å; S1875-T1896 VanDerWaalsContact O-OG1 3.09Å
1876	I	26.2	Very low	27.5	Very low	93.2 Å²	93.2	100.8 Å²	100.8	48%	0.478	50%	0.496	S	S	.	.	S	Bend	trans	-139.4	105.9	171.7	-49.5	175.3	0	0	0	110.7	F1814 W1872 S1874 L1878 Y1893 N1894 L1895	F1814-I1876 HydrophobicContact CZ-CD1 4.12Å; W1872-I1876 WeakPolarHBondContact CB-O 3.31Å; S1874-I1876 PolarHBondContact O-N 2.97Å; S1874-I1876 PolarHBondContact OG-O 2.89Å; I1876-L1878 HydrophobicContact CG2-CD1 4.37Å; I1876-L1878 PolarHBondContact O-N 2.87Å; I1876-Y1893 HydrophobicContact CG2-CD1 4.27Å; I1876-N1894 VanDerWaalsContact CA-O 3.27Å; I1876-N1894 WeakPolarHBondContact CA-O 3.25Å; I1876-L1895 HydrophobicContact CD1-CD2 4.24Å; I1876-L1895 HydrophobicContact CG1-CD2 4.22Å
1877	Y	28.2	Very low	27.5	Very low	128.6 Å²	128.6	103.2 Å²	103.2	50%	0.504	51%	0.511	S	S	.	.			trans	-102.4	125.5	159	-81.8	-83.1	0	0	0	110.8	D1871 W1872 N1873 L1879 N1894 T1896 I1904 Y1929	D1871-Y1877 WeakPolarHBondContact OD1-CE1 3.34Å; W1872-Y1877 WeakPolarHBondContact O-CE1 3.4Å; N1873-Y1877 PolarHBondContact OD1-OH 2.83Å; Y1877-L1879 HydrophobicContact CD1-CD1 4.13Å; Y1877-L1879 HydrophobicContact CE1-CD1 4.45Å; Y1877-N1894 PolarHBondContact N-O 3.02Å; Y1877-N1894 WeakPolarHBondContact O-CA 3.34Å; Y1877-N1894 VanDerWaalsContact O-CB 3.3Å; Y1877-N1894 WeakPolarHBondContact O-CB 3.24Å; Y1877-N1894 PolarHBondContact O-N 2.85Å; Y1877-T1896 HydrophobicContact CD2-CG2 4.04Å; Y1877-T1896 WeakPolarHBondContact CD2-OG1 3.48Å; Y1877-T1896 HydrophobicContact CE2-CG2 4.47Å; Y1877-I1904 HydrophobicContact CD1-CD1 3.52Å; Y1877-I1904 HydrophobicContact CD2-CD1 4.42Å; Y1877-I1904 HydrophobicContact CE1-CD1 3.39Å; Y1877-I1904 HydrophobicContact CE2-CD1 4.31Å; Y1877-I1904 HydrophobicContact CG-CD1 4.06Å; Y1877-Y1929 PolarHBondContact OH-OH 2.65Å
1878	L	25.8	Very low	27.3	Very low	79 Å²	79	101.5 Å²	101.5	41%	0.414	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	107.6	170.3	-114.5	129	0	0	0	110.3	W1838 W1872 I1876 F1880 I1891 Y1893	W1838-L1878 HydrophobicContact CH2-CB 4.26Å; W1838-L1878 HydrophobicContact CH2-CD1 3.9Å; W1838-L1878 HydrophobicContact CH2-CG 4.49Å; W1838-L1878 HydrophobicContact CZ3-CD1 4.36Å; W1872-L1878 HydrophobicContact CE3-CB 4.18Å; W1872-L1878 WeakPolarHBondContact CH2-O 3.32Å; W1872-L1878 HydrophobicContact CZ3-CB 3.96Å; W1872-L1878 WeakPolarHBondContact CZ3-O 3.16Å; I1876-L1878 HydrophobicContact CG2-CD1 4.37Å; I1876-L1878 PolarHBondContact O-N 2.87Å; L1878-F1880 HydrophobicContact CB-CD2 4.45Å; L1878-F1880 HydrophobicContact CB-CE2 4.1Å; L1878-F1880 HydrophobicContact CB-CZ 4.36Å; L1878-F1880 HydrophobicContact CD2-CD1 4.44Å; L1878-F1880 HydrophobicContact CD2-CD2 3.85Å; L1878-F1880 HydrophobicContact CD2-CE1 4.03Å; L1878-F1880 HydrophobicContact CD2-CE2 3.86Å; L1878-F1880 HydrophobicContact CD2-CG 4.34Å; L1878-F1880 HydrophobicContact CD2-CZ 3.8Å; L1878-F1880 VanDerWaalsContact O-CD2 3.32Å; L1878-F1880 WeakPolarHBondContact O-CD2 3.26Å; L1878-F1880 PolarHBondContact O-N 2.83Å; L1878-I1891 HydrophobicContact CD2-CG2 4.14Å; L1878-I1891 HydrophobicContact CG-CG2 4.32Å; L1878-Y1893 HydrophobicContact CD1-CD1 3.99Å; L1878-Y1893 HydrophobicContact CD1-CE1 3.64Å; L1878-Y1893 HydrophobicContact CD2-CE1 4.38Å; L1878-Y1893 HydrophobicContact CG-CD1 4.29Å; L1878-Y1893 HydrophobicContact CG-CE1 3.85Å
1879	L	25.9	Very low	27.1	Very low	80.2 Å²	80.2	101.7 Å²	101.7	42%	0.42	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	107.6	172	-156.8	88.3	0	0	0	111.9	F1869 Y1877 I1881 Y1892	F1869-L1879 HydrophobicContact CD1-CD1 4.2Å; F1869-L1879 HydrophobicContact CE1-CD1 3.7Å; F1869-L1879 HydrophobicContact CZ-CD1 3.88Å; Y1877-L1879 HydrophobicContact CD1-CD1 4.13Å; Y1877-L1879 HydrophobicContact CE1-CD1 4.45Å; L1879-I1881 HydrophobicContact CD2-CD1 3.87Å; L1879-I1881 VanDerWaalsContact CD2-CD1 3.45Å; L1879-I1881 HydrophobicContact CD2-CG1 4.06Å; L1879-I1881 HydrophobicContact CG-CD1 4.37Å; L1879-I1881 HydrophobicContact CG-CG1 4.07Å; L1879-I1881 PolarHBondContact O-N 3.45Å; L1879-I1881 VanDerWaalsContact O-N 3.11Å; L1879-Y1892 HydrophobicContact CD2-CD2 4.22Å; L1879-Y1892 HydrophobicContact CD2-CG 4.49Å; L1879-Y1892 PolarHBondContact N-O 3.18Å; L1879-Y1892 WeakPolarHBondContact O-CD2 3.48Å; L1879-Y1892 PolarHBondContact O-N 3Å
1880	F	26	Very low	27	Very low	113.4 Å²	113.4	99.8 Å²	99.8	50%	0.497	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.4	163.4	-77.5	-80.8	0	0	0	110.4	L1836 K1854 F1868 W1872 L1878 Q1882 F1889 I1891 I1908	L1836-F1880 HydrophobicContact CD1-CE2 4.06Å; L1836-F1880 HydrophobicContact CD2-CE2 4.49Å; L1836-F1880 HydrophobicContact CD2-CZ 4.3Å; K1854-F1880 WeakPolarHBondContact CD-O 3.48Å; K1854-F1880 WeakPolarHBondContact CE-O 3.47Å; K1854-F1880 PolarHBondContact NZ-O 2.79Å; F1868-F1880 HydrophobicContact CB-CB 4.25Å; F1868-F1880 HydrophobicContact CD2-CB 4.36Å; F1868-F1880 PolarHBondContact N-O 2.84Å; W1872-F1880 HydrophobicContact CE3-CE2 4.09Å; W1872-F1880 AromaticContact CZ3-CD2 3.95Å; W1872-F1880 HydrophobicContact CZ3-CD2 3.95Å; W1872-F1880 AromaticContact CZ3-CE2 3.67Å; W1872-F1880 HydrophobicContact CZ3-CE2 3.67Å; L1878-F1880 HydrophobicContact CB-CD2 4.45Å; L1878-F1880 HydrophobicContact CB-CE2 4.1Å; L1878-F1880 HydrophobicContact CB-CZ 4.36Å; L1878-F1880 HydrophobicContact CD2-CD1 4.44Å; L1878-F1880 HydrophobicContact CD2-CD2 3.85Å; L1878-F1880 HydrophobicContact CD2-CE1 4.03Å; L1878-F1880 HydrophobicContact CD2-CE2 3.86Å; L1878-F1880 HydrophobicContact CD2-CG 4.34Å; L1878-F1880 HydrophobicContact CD2-CZ 3.8Å; L1878-F1880 VanDerWaalsContact O-CD2 3.32Å; L1878-F1880 WeakPolarHBondContact O-CD2 3.26Å; L1878-F1880 PolarHBondContact O-N 2.83Å; F1880-Q1882 PolarHBondContact O-N 3.47Å; F1880-F1889 AromaticContact CD1-CE1 3.78Å; F1880-F1889 HydrophobicContact CD1-CE1 3.78Å; F1880-F1889 AromaticContact CD1-CZ 3.85Å; F1880-F1889 HydrophobicContact CD1-CZ 4.07Å; F1880-F1889 AromaticContact CE1-CE1 3.78Å; F1880-F1889 HydrophobicContact CE1-CE1 4.07Å; F1880-F1889 HydrophobicContact CE1-CZ 4.19Å; F1880-I1891 HydrophobicContact CD1-CG1 3.99Å; F1880-I1891 HydrophobicContact CE1-CD1 4.07Å; F1880-I1891 HydrophobicContact CE1-CG1 4.06Å; F1880-I1891 HydrophobicContact CE1-CG2 4.24Å; F1880-I1908 HydrophobicContact CD2-CD1 4.1Å
1881	I	26.5	Very low	26.8	Very low	78.4 Å²	78.4	102 Å²	102	40%	0.402	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.8	171.2	-57.4	179.7	0	0	0	109	Y1865 L1879 N1883 N1890 Y1892	Y1865-I1881 HydrophobicContact CD1-CG2 3.57Å; Y1865-I1881 HydrophobicContact CE1-CG2 4.34Å; Y1865-I1881 HydrophobicContact CG-CG2 4.29Å; L1879-I1881 HydrophobicContact CD2-CD1 3.87Å; L1879-I1881 VanDerWaalsContact CD2-CD1 3.45Å; L1879-I1881 HydrophobicContact CD2-CG1 4.06Å; L1879-I1881 HydrophobicContact CG-CD1 4.37Å; L1879-I1881 HydrophobicContact CG-CG1 4.07Å; L1879-I1881 PolarHBondContact O-N 3.45Å; L1879-I1881 VanDerWaalsContact O-N 3.11Å; I1881-N1883 HydrophobicContact CG2-CB 4.19Å; I1881-N1883 PolarHBondContact O-N 2.91Å; I1881-N1890 PolarHBondContact N-O 3.08Å; I1881-N1890 VanDerWaalsContact N-O 3.12Å; I1881-N1890 PolarHBondContact O-N 3.09Å; I1881-Y1892 HydrophobicContact CB-CE2 3.94Å; I1881-Y1892 HydrophobicContact CD1-CD2 4.01Å; I1881-Y1892 HydrophobicContact CD1-CE2 3.45Å; I1881-Y1892 VanDerWaalsContact CD1-CE2 3.45Å; I1881-Y1892 HydrophobicContact CG1-CD2 3.9Å; I1881-Y1892 HydrophobicContact CG1-CE2 3.6Å
1882	Q	26.7	Very low	26.7	Very low	100 Å²	100	101.2 Å²	101.2	47%	0.467	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	102.7	165.2	-162.7	170.8	6.5	0	0	109.4	E1866 F1880 Y1884 F1889	E1866-Q1882 PolarHBondContact O-N 2.85Å; F1880-Q1882 PolarHBondContact O-N 3.47Å; Q1882-Y1884 HydrophobicContact CG-CD2 3.81Å; Q1882-Y1884 HydrophobicContact CG-CE2 3.85Å; Q1882-Y1884 HydrophobicContact CG-CG 4.39Å; Q1882-Y1884 VanDerWaalsContact NE2-CE2 3.33Å; Q1882-Y1884 PolarHBondContact NE2-OH 3.06Å; Q1882-Y1884 PolarHBondContact O-N 2.99Å; Q1882-F1889 HydrophobicContact CB-CD2 3.89Å; Q1882-F1889 HydrophobicContact CB-CE2 4.13Å; Q1882-F1889 HydrophobicContact CG-CD2 4.1Å; Q1882-F1889 HydrophobicContact CG-CE2 4.09Å
1883	N	26.3	Very low	26.4	Very low	84.2 Å²	84.2	100.2 Å²	100.2	45%	0.45	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	102.8	179	-136.8	-8.7	0	0	0	110.2	I1881 F1885 N1886 N1887 S1888	I1881-N1883 HydrophobicContact CG2-CB 4.19Å; I1881-N1883 PolarHBondContact O-N 2.91Å; N1883-F1885 VanDerWaalsContact C-N 3.27Å; N1883-F1885 PolarHBondContact O-N 2.86Å; N1883-N1886 PolarHBondContact O-N 3.09Å; N1883-N1887 PolarHBondContact O-N 3.4Å; N1883-N1887 VanDerWaalsContact O-N 3.17Å; N1883-S1888 PolarHBondContact N-O 2.97Å
1884	Y	27.4	Very low	26.3	Very low	123.8 Å²	123.8	99.1 Å²	99.1	49%	0.485	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-0.7	-177.2	-110.5	-75.2	0	0	0	114.1	K1857 I1859 E1866 Q1882 N1886 K1910 N1912 R1914 N1921	K1857-Y1884 PolarHBondContact O-OH 3.04Å; I1859-Y1884 HydrophobicContact CD1-CD1 3.96Å; I1859-Y1884 HydrophobicContact CD1-CE1 3.47Å; I1859-Y1884 VanDerWaalsContact CD1-CE1 3.47Å; I1859-Y1884 HydrophobicContact CG1-CE1 3.77Å; E1866-Y1884 HydrophobicContact CG-CD2 4.38Å; E1866-Y1884 HydrophobicContact CG-CE2 4.48Å; E1866-Y1884 WeakPolarHBondContact OE1-CE2 3.37Å; E1866-Y1884 WeakPolarHBondContact OE2-CE2 3.39Å; Q1882-Y1884 HydrophobicContact CG-CD2 3.81Å; Q1882-Y1884 HydrophobicContact CG-CE2 3.85Å; Q1882-Y1884 HydrophobicContact CG-CG 4.39Å; Q1882-Y1884 VanDerWaalsContact NE2-CE2 3.33Å; Q1882-Y1884 PolarHBondContact NE2-OH 3.06Å; Q1882-Y1884 PolarHBondContact O-N 2.99Å; Y1884-N1886 VanDerWaalsContact C-N 3.29Å; Y1884-N1886 PolarHBondContact O-N 3.31Å; Y1884-K1910 PolarHBondContact OH-NZ 2.75Å; Y1884-N1912 PolarHBondContact OH-ND2 3.07Å; Y1884-R1914 PolarHBondContact OH-NH2 2.79Å; Y1884-N1921 WeakPolarHBondContact CE2-ND2 3.5Å
1885	F	26	Very low	26.2	Very low	188 Å²	188	101 Å²	101	83%	0.825	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-9	168.4	-83.2	-79.1	0	0	0	113.7	N1883	N1883-F1885 VanDerWaalsContact C-N 3.27Å; N1883-F1885 PolarHBondContact O-N 2.86Å
1886	N	25.5	Very low	26.1	Very low	106.6 Å²	106.6	101.2 Å²	101.2	57%	0.57	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	18.4	-172.4	-76.8	1.3	0	0	0	114.7	N1419 N1883 Y1884 S1888	N1419-N1886 HydrophobicContact CB-CB 4.18Å; N1419-N1886 WeakPolarHBondContact CB-O 3.49Å; N1419-N1886 WeakPolarHBondContact ND2-CB 3.42Å; N1419-N1886 PolarHBondContact ND2-ND2 3.02Å; N1419-N1886 PolarHBondContact ND2-OD1 2.64Å; N1419-N1886 VanDerWaalsContact ND2-OD1 3.17Å; N1883-N1886 PolarHBondContact O-N 3.09Å; Y1884-N1886 VanDerWaalsContact C-N 3.29Å; Y1884-N1886 PolarHBondContact O-N 3.31Å; N1886-S1888 PolarHBondContact O-N 3.2Å; N1886-S1888 PolarHBondContact O-OG 2.89Å
1887	N	25.8	Very low	26.2	Very low	119.4 Å²	119.4	101.7 Å²	101.7	64%	0.639	49%	0.493	S	S	*	.			trans	64.5	24.3	169.5	-80.8	-22.5	0	0	0	115.7	N1883 Q2379	N1883-N1887 PolarHBondContact O-N 3.4Å; N1883-N1887 VanDerWaalsContact O-N 3.17Å; N1887-Q2379 VanDerWaalsContact ND2-CG 3.32Å; N1887-Q2379 WeakPolarHBondContact ND2-CG 3.22Å; N1887-Q2379 PolarHBondContact ND2-NE2 3.44Å
1888	S	24.1	Very low	26.2	Very low	46.2 Å²	46.2	103.3 Å²	103.3	32%	0.323	51%	0.505	S	S	.	.			trans	-83	130.9	-178.3	46.1	0	0	0	0	111.8	N1419 N1883 N1886 N1890	N1419-S1888 WeakPolarHBondContact O-CB 3.35Å; N1883-S1888 PolarHBondContact N-O 2.97Å; N1886-S1888 PolarHBondContact O-N 3.2Å; N1886-S1888 PolarHBondContact O-OG 2.89Å; S1888-N1890 PolarHBondContact O-N 3.27Å
1889	F	25.6	Very low	26.3	Very low	106.6 Å²	106.6	105.8 Å²	105.8	47%	0.468	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	104.3	166.2	-141.9	-85.7	0	0	0	109.9	S1421 L1834 F1880 Q1882 I1891 K1910	S1421-F1889 PolarHBondContact OG-N 2.95Å; L1834-F1889 HydrophobicContact CD1-CZ 4.29Å; F1880-F1889 AromaticContact CD1-CE1 3.78Å; F1880-F1889 HydrophobicContact CD1-CE1 3.78Å; F1880-F1889 AromaticContact CD1-CZ 3.85Å; F1880-F1889 HydrophobicContact CD1-CZ 4.07Å; F1880-F1889 AromaticContact CE1-CE1 3.78Å; F1880-F1889 HydrophobicContact CE1-CE1 4.07Å; F1880-F1889 HydrophobicContact CE1-CZ 4.19Å; Q1882-F1889 HydrophobicContact CB-CD2 3.89Å; Q1882-F1889 HydrophobicContact CB-CE2 4.13Å; Q1882-F1889 HydrophobicContact CG-CD2 4.1Å; Q1882-F1889 HydrophobicContact CG-CE2 4.09Å; F1889-I1891 HydrophobicContact CD1-CD1 4.39Å; F1889-I1891 HydrophobicContact CD1-CG1 4.15Å; F1889-I1891 HydrophobicContact CE1-CD1 3.92Å; F1889-I1891 HydrophobicContact CE1-CG1 4.16Å; F1889-I1891 PolarHBondContact O-N 2.85Å; F1889-K1910 HydrophobicContact CB-CD 4.43Å
1890	N	25.1	Very low	26.4	Very low	79.8 Å²	79.8	110.1 Å²	110.1	43%	0.427	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.1	-173.5	-71.9	3.2	0	0	0	111.3	I1881 S1888 Y1892	I1881-N1890 PolarHBondContact N-O 3.08Å; I1881-N1890 VanDerWaalsContact N-O 3.12Å; I1881-N1890 PolarHBondContact O-N 3.09Å; S1888-N1890 PolarHBondContact O-N 3.27Å; N1890-Y1892 HydrophobicContact CB-CD2 4.28Å; N1890-Y1892 HydrophobicContact CB-CE2 3.74Å; N1890-Y1892 VanDerWaalsContact CB-CE2 3.43Å; N1890-Y1892 PolarHBondContact ND2-OH 3.01Å; N1890-Y1892 VanDerWaalsContact ND2-OH 3.14Å
1891	I	26.7	Very low	26.4	Very low	74.4 Å²	74.4	110.7 Å²	110.7	38%	0.382	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125	171.9	-54.3	171	0	0	0	108.9	L1878 F1880 F1889 Y1893 I1908	L1878-I1891 HydrophobicContact CD2-CG2 4.14Å; L1878-I1891 HydrophobicContact CG-CG2 4.32Å; F1880-I1891 HydrophobicContact CD1-CG1 3.99Å; F1880-I1891 HydrophobicContact CE1-CD1 4.07Å; F1880-I1891 HydrophobicContact CE1-CG1 4.06Å; F1880-I1891 HydrophobicContact CE1-CG2 4.24Å; F1889-I1891 HydrophobicContact CD1-CD1 4.39Å; F1889-I1891 HydrophobicContact CD1-CG1 4.15Å; F1889-I1891 HydrophobicContact CE1-CD1 3.92Å; F1889-I1891 HydrophobicContact CE1-CG1 4.16Å; F1889-I1891 PolarHBondContact O-N 2.85Å; I1891-Y1893 HydrophobicContact CB-CD2 4.29Å; I1891-Y1893 HydrophobicContact CB-CE2 4.2Å; I1891-Y1893 HydrophobicContact CG2-CD1 4.31Å; I1891-Y1893 HydrophobicContact CG2-CD2 3.96Å; I1891-Y1893 HydrophobicContact CG2-CE1 4.34Å; I1891-Y1893 HydrophobicContact CG2-CE2 3.51Å; I1891-Y1893 HydrophobicContact CG2-CG 4.31Å; I1891-I1908 HydrophobicContact CD1-CD1 4.15Å
1892	Y	26.3	Very low	26.5	Very low	110.8 Å²	110.8	110.8 Å²	110.8	44%	0.435	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126	162.8	-71	-77.4	0	0	0	110.4	Y1835 L1879 I1881 N1890 N1907 Y1925	Y1835-Y1892 PolarHBondContact OH-O 2.75Å; L1879-Y1892 HydrophobicContact CD2-CD2 4.22Å; L1879-Y1892 HydrophobicContact CD2-CG 4.49Å; L1879-Y1892 PolarHBondContact N-O 3.18Å; L1879-Y1892 WeakPolarHBondContact O-CD2 3.48Å; L1879-Y1892 PolarHBondContact O-N 3Å; I1881-Y1892 HydrophobicContact CB-CE2 3.94Å; I1881-Y1892 HydrophobicContact CD1-CD2 4.01Å; I1881-Y1892 HydrophobicContact CD1-CE2 3.45Å; I1881-Y1892 VanDerWaalsContact CD1-CE2 3.45Å; I1881-Y1892 HydrophobicContact CG1-CD2 3.9Å; I1881-Y1892 HydrophobicContact CG1-CE2 3.6Å; N1890-Y1892 HydrophobicContact CB-CD2 4.28Å; N1890-Y1892 HydrophobicContact CB-CE2 3.74Å; N1890-Y1892 VanDerWaalsContact CB-CE2 3.43Å; N1890-Y1892 PolarHBondContact ND2-OH 3.01Å; N1890-Y1892 VanDerWaalsContact ND2-OH 3.14Å; Y1892-N1907 WeakPolarHBondContact CE1-OD1 2.97Å; Y1892-Y1925 AromaticContact CD1-CD1 3.8Å; Y1892-Y1925 HydrophobicContact CD1-CD1 3.8Å; Y1892-Y1925 HydrophobicContact CD1-CG 4.13Å; Y1892-Y1925 HydrophobicContact CD2-CD1 4.49Å; Y1892-Y1925 HydrophobicContact CD2-CG 4.34Å; Y1892-Y1925 AromaticContact CE1-CD1 3.86Å; Y1892-Y1925 HydrophobicContact CE1-CD1 3.86Å; Y1892-Y1925 AromaticContact CE1-CG 3.78Å; Y1892-Y1925 HydrophobicContact CE1-CG 3.78Å; Y1892-Y1925 HydrophobicContact CE2-CD1 4.44Å; Y1892-Y1925 HydrophobicContact CE2-CD2 4.15Å; Y1892-Y1925 AromaticContact CE2-CG 3.9Å; Y1892-Y1925 HydrophobicContact CE2-CG 3.9Å; Y1892-Y1925 HydrophobicContact CG-CD1 4.2Å; Y1892-Y1925 HydrophobicContact CG-CG 4.46Å; Y1892-Y1925 AromaticContact CZ-CG 3.65Å; Y1892-Y1925 WeakPolarHBondContact OH-CB 2.94Å
1893	Y	25.5	Very low	26.5	Very low	109 Å²	109	112.3 Å²	112.3	43%	0.427	55%	0.547	S	S	.	.			trans	-110.1	131	172.4	-62	-85.2	0	0	0	108.9	L1801 Q1837 I1876 L1878 I1891 I1904 G1906 Y1925	L1801-Y1893 VanDerWaalsContact CD1-OH 3.27Å; L1801-Y1893 WeakPolarHBondContact CD1-OH 3.45Å; L1801-Y1893 HydrophobicContact CD2-CE1 3.97Å; Q1837-Y1893 HydrophobicContact CG-CE1 4.26Å; I1876-Y1893 HydrophobicContact CG2-CD1 4.27Å; L1878-Y1893 HydrophobicContact CD1-CD1 3.99Å; L1878-Y1893 HydrophobicContact CD1-CE1 3.64Å; L1878-Y1893 HydrophobicContact CD2-CE1 4.38Å; L1878-Y1893 HydrophobicContact CG-CD1 4.29Å; L1878-Y1893 HydrophobicContact CG-CE1 3.85Å; I1891-Y1893 HydrophobicContact CB-CD2 4.29Å; I1891-Y1893 HydrophobicContact CB-CE2 4.2Å; I1891-Y1893 HydrophobicContact CG2-CD1 4.31Å; I1891-Y1893 HydrophobicContact CG2-CD2 3.96Å; I1891-Y1893 HydrophobicContact CG2-CE1 4.34Å; I1891-Y1893 HydrophobicContact CG2-CE2 3.51Å; I1891-Y1893 HydrophobicContact CG2-CG 4.31Å; Y1893-I1904 HydrophobicContact CE2-CG2 4.14Å; Y1893-G1906 WeakPolarHBondContact OH-CA 3.48Å; Y1893-Y1925 VanDerWaalsContact OH-CE2 3.25Å; Y1893-Y1925 WeakPolarHBondContact OH-CE2 3.19Å; Y1893-Y1925 PolarHBondContact OH-OH 2.9Å
1894	N	25.4	Very low	26.6	Very low	107.2 Å²	107.2	113.6 Å²	113.6	57%	0.573	55%	0.553	S	S	*	*			trans	-134.8	115.3	164.2	-137.3	1.8	0	0	0	110.1	I1876 Y1877 T1896	I1876-N1894 VanDerWaalsContact CA-O 3.27Å; I1876-N1894 WeakPolarHBondContact CA-O 3.25Å; Y1877-N1894 PolarHBondContact N-O 3.02Å; Y1877-N1894 WeakPolarHBondContact O-CA 3.34Å; Y1877-N1894 VanDerWaalsContact O-CB 3.3Å; Y1877-N1894 WeakPolarHBondContact O-CB 3.24Å; Y1877-N1894 PolarHBondContact O-N 2.85Å; N1894-T1896 PolarHBondContact O-N 3.14Å
1895	L	26.3	Very low	26.6	Very low	120 Å²	120	113.7 Å²	113.7	63%	0.628	56%	0.558	S	S	*	*			trans	-88	113.6	-180	-76.8	156.7	0	0	0	110.5	I1805 I1876 D1897	I1805-L1895 HydrophobicContact CD1-CD1 3.52Å; I1805-L1895 HydrophobicContact CD1-CD2 4.48Å; I1876-L1895 HydrophobicContact CD1-CD2 4.24Å; I1876-L1895 HydrophobicContact CG1-CD2 4.22Å; L1895-D1897 PolarHBondContact O-N 2.86Å
1896	T	27.2	Very low	26.7	Very low	76.4 Å²	76.4	106.9 Å²	106.9	47%	0.469	54%	0.54	S	S	.	.			trans	-120.1	95.3	165.8	44.7	0	0	0	0	112.4	S1875 Y1877 N1894 H1898	S1875-T1896 VanDerWaalsContact C-OG1 3.24Å; S1875-T1896 WeakPolarHBondContact CA-OG1 3.49Å; S1875-T1896 WeakPolarHBondContact CB-OG1 3.47Å; S1875-T1896 CarbonylContact O-C 3.58Å; S1875-T1896 PolarHBondContact O-N 2.91Å; S1875-T1896 VanDerWaalsContact O-N 3.08Å; S1875-T1896 VanDerWaalsContact O-O 3.07Å; S1875-T1896 PolarHBondContact O-OG1 3.1Å; S1875-T1896 VanDerWaalsContact O-OG1 3.09Å; Y1877-T1896 HydrophobicContact CD2-CG2 4.04Å; Y1877-T1896 WeakPolarHBondContact CD2-OG1 3.48Å; Y1877-T1896 HydrophobicContact CE2-CG2 4.47Å; N1894-T1896 PolarHBondContact O-N 3.14Å; T1896-H1898 PolarHBondContact O-N 2.9Å; T1896-H1898 VanDerWaalsContact O-N 3.1Å
1897	D	27.7	Very low	26.8	Very low	103.2 Å²	103.2	107.1 Å²	107.1	55%	0.552	54%	0.542	S	S	*	.			trans	-36.5	108.1	165.9	-118.6	-5.9	0	0	0	114.9	L1895 L1899 W1900 N1901 Q1966	L1895-D1897 PolarHBondContact O-N 2.86Å; D1897-L1899 CarbonylContact C-O 3.59Å; D1897-L1899 VanDerWaalsContact CB-O 3.28Å; D1897-L1899 WeakPolarHBondContact CB-O 2.97Å; D1897-L1899 VanDerWaalsContact CG-O 3.24Å; D1897-L1899 PolarHBondContact O-N 3.02Å; D1897-L1899 VanDerWaalsContact O-N 3.16Å; D1897-W1900 PolarHBondContact O-N 2.75Å; D1897-W1900 VanDerWaalsContact O-N 3.07Å; D1897-N1901 PolarHBondContact O-N 2.9Å; D1897-Q1966 PolarHBondContact OD2-NE2 3.07Å
1898	H	28.9	Very low	27	Very low	163.2 Å²	163.2	106.5 Å²	106.5	76%	0.756	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	18	172.3	-108.2	-51.9	0	0	0	116.2	S1874 T1896 W1900	S1874-H1898 PolarHBondContact O-CD2 2.82Å; T1896-H1898 PolarHBondContact O-N 2.9Å; T1896-H1898 VanDerWaalsContact O-N 3.1Å; H1898-W1900 VanDerWaalsContact C-N 3.34Å
1899	L	28.1	Very low	27.3	Very low	132 Å²	132	108.3 Å²	108.3	69%	0.691	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	25.3	167.7	-79.3	164.8	0	0	0	112.7	D1897	D1897-L1899 CarbonylContact C-O 3.59Å; D1897-L1899 VanDerWaalsContact CB-O 3.28Å; D1897-L1899 WeakPolarHBondContact CB-O 2.97Å; D1897-L1899 VanDerWaalsContact CG-O 3.24Å; D1897-L1899 PolarHBondContact O-N 3.02Å; D1897-L1899 VanDerWaalsContact O-N 3.16Å
1900	W	27.3	Very low	27.4	Very low	170.4 Å²	170.4	109.2 Å²	109.2	65%	0.645	55%	0.55	S	S	*	*	S	Bend	trans	-171.2	62.2	172.1	-72.7	62.4	0	0	0	118.1	D1897 H1898 N1902 N2550 N2695	D1897-W1900 PolarHBondContact O-N 2.75Å; D1897-W1900 VanDerWaalsContact O-N 3.07Å; H1898-W1900 VanDerWaalsContact C-N 3.34Å; W1900-N1902 PolarHBondContact O-N 2.94Å; W1900-N1902 PolarHBondContact O-OD1 2.68Å; W1900-N2550 VanDerWaalsContact CA-ND2 3.31Å; W1900-N2550 WeakPolarHBondContact CA-ND2 3.42Å; W1900-N2550 HydrophobicContact CB-CB 3.79Å; W1900-N2550 WeakPolarHBondContact CB-ND2 3.5Å; W1900-N2550 VanDerWaalsContact CD1-CB 3.48Å; W1900-N2550 HydrophobicContact CD2-CB 3.35Å; W1900-N2550 HydrophobicContact CE3-CB 3.98Å; W1900-N2550 HydrophobicContact CG-CB 3.28Å; W1900-N2550 HydrophobicContact CZ2-CB 4.2Å; W1900-N2550 VanDerWaalsContact CZ2-N 3.29Å; W1900-N2550 VanDerWaalsContact CZ3-OD1 3.23Å; W1900-N2550 WeakPolarHBondContact CZ3-OD1 3.33Å; W1900-N2695 HydrophobicContact CE3-CB 4.36Å; W1900-N2695 HydrophobicContact CZ3-CB 3.96Å
1901	N	26.9	Very low	27.6	Very low	124.6 Å²	124.6	111.8 Å²	111.8	67%	0.666	56%	0.561	S	S	*	*			trans	17	59.5	165.2	-95.9	-8.2	0	0	0	116.4	D1897 M1903 F2552	D1897-N1901 PolarHBondContact O-N 2.9Å; N1901-M1903 PolarHBondContact O-N 2.9Å; N1901-F2552 VanDerWaalsContact C-CE2 3.46Å; N1901-F2552 HydrophobicContact CB-CD2 3.3Å; N1901-F2552 HydrophobicContact CB-CE2 3.18Å; N1901-F2552 HydrophobicContact CB-CG 4.12Å; N1901-F2552 HydrophobicContact CB-CZ 3.86Å; N1901-F2552 VanDerWaalsContact CG-CD2 3.44Å; N1901-F2552 VanDerWaalsContact ND2-CD1 3.26Å; N1901-F2552 WeakPolarHBondContact ND2-CD1 3.22Å; N1901-F2552 WeakPolarHBondContact ND2-CD2 3.01Å; N1901-F2552 WeakPolarHBondContact ND2-CE1 3.29Å; N1901-F2552 WeakPolarHBondContact ND2-CE2 2.92Å; N1901-F2552 WeakPolarHBondContact ND2-CG 2.93Å; N1901-F2552 WeakPolarHBondContact O-CE2 3.34Å
1902	N	28	Very low	27.8	Very low	81.6 Å²	81.6	112 Å²	112	44%	0.436	56%	0.563	S	S	.	*			trans	-126.7	122.3	161.3	-73.6	-33.8	0	0	0	110.9	W1900 I1904 Y1929 K1930 I1931 P2546 N2550	W1900-N1902 PolarHBondContact O-N 2.94Å; W1900-N1902 PolarHBondContact O-OD1 2.68Å; N1902-I1904 PolarHBondContact O-N 3Å; N1902-Y1929 HydrophobicContact CB-CE2 3.61Å; N1902-K1930 WeakPolarHBondContact CA-O 3.13Å; N1902-K1930 WeakPolarHBondContact CB-O 3.46Å; N1902-K1930 PolarHBondContact OD1-O 3.15Å; N1902-I1931 WeakPolarHBondContact OD1-CA 3.16Å; N1902-P2546 WeakPolarHBondContact ND2-CB 3.45Å; N1902-P2546 WeakPolarHBondContact ND2-CG 3.37Å; N1902-P2546 WeakPolarHBondContact OD1-CG 3.49Å; N1902-N2550 PolarHBondContact ND2-OD1 2.91Å
1903	M	27.2	Very low	27.9	Very low	131.4 Å²	131.4	112.2 Å²	112.2	65%	0.647	57%	0.568	S	S	*	*			trans	-98.4	133.3	171.5	-68.3	-150.2	-60.5	0	0	111.1	N1901 Y1929 K1930	N1901-M1903 PolarHBondContact O-N 2.9Å; M1903-Y1929 WeakPolarHBondContact O-CD2 3.28Å; M1903-K1930 PolarHBondContact N-O 3.2Å; M1903-K1930 VanDerWaalsContact N-O 3.14Å; M1903-K1930 PolarHBondContact O-N 3.3Å
1904	I	27.7	Very low	28.1	Very low	112 Å²	112	113.6 Å²	113.6	57%	0.574	57%	0.573	S	S	*	*			trans	-116.8	122.1	166.2	-56	179.9	0	0	0	108.8	Y1877 Y1893 N1902 G1906 N1928 Y1929	Y1877-I1904 HydrophobicContact CD1-CD1 3.52Å; Y1877-I1904 HydrophobicContact CD2-CD1 4.42Å; Y1877-I1904 HydrophobicContact CE1-CD1 3.39Å; Y1877-I1904 HydrophobicContact CE2-CD1 4.31Å; Y1877-I1904 HydrophobicContact CG-CD1 4.06Å; Y1893-I1904 HydrophobicContact CE2-CG2 4.14Å; N1902-I1904 PolarHBondContact O-N 3Å; I1904-G1906 PolarHBondContact O-N 3.12Å; I1904-N1928 WeakPolarHBondContact CA-O 3.28Å; I1904-Y1929 HydrophobicContact CB-CD2 4.42Å; I1904-Y1929 HydrophobicContact CD1-CD2 4.17Å; I1904-Y1929 HydrophobicContact CD1-CE2 4.05Å; I1904-Y1929 HydrophobicContact CG1-CD2 3.55Å; I1904-Y1929 HydrophobicContact CG1-CE2 3.73Å; I1904-Y1929 HydrophobicContact CG1-CG 4.21Å; I1904-Y1929 HydrophobicContact CG2-CD2 4.3Å
1905	H	27.9	Very low	28.4	Very low	125.8 Å²	125.8	114.9 Å²	114.9	58%	0.582	57%	0.573	S	S	*	*			trans	-95.2	139.7	170.6	-67.6	-60.3	0	0	0	110.9	N1873 N1907 G1927 N1928	N1873-H1905 PolarHBondContact OD1-CE1 2.72Å; N1873-H1905 PolarHBondContact OD1-ND1 2.83Å; H1905-N1907 PolarHBondContact O-N 2.97Å; H1905-G1927 CarbonylContact O-C 3.32Å; H1905-G1927 WeakPolarHBondContact O-CA 3.42Å; H1905-N1928 PolarHBondContact N-O 2.83Å; H1905-N1928 VanDerWaalsContact N-O 3.13Å; H1905-N1928 PolarHBondContact O-N 2.85Å
1906	G	27.8	Very low	28.6	Very low	44.6 Å²	44.6	115.5 Å²	115.5	46%	0.46	57%	0.572	S	S	.	*			trans	-153.7	130.2	169.1	0	0	0	0	0	113	W1872 Y1893 I1904 Y1926	W1872-G1906 PolarHBondContact NE1-O 3.03Å; Y1893-G1906 WeakPolarHBondContact OH-CA 3.48Å; I1904-G1906 PolarHBondContact O-N 3.12Å; G1906-Y1926 CarbonylContact C-O 3.56Å; G1906-Y1926 WeakPolarHBondContact CA-O 3.08Å
1907	N	27.6	Very low	28.7	Very low	111.2 Å²	111.2	117.6 Å²	117.6	60%	0.595	58%	0.581	S	S	*	*			trans	-106.6	131.4	-177	-76.4	-15.2	0	0	0	111	D1871 Y1892 H1905 Y1925 Y1926	D1871-N1907 PolarHBondContact OD1-ND2 2.97Å; Y1892-N1907 WeakPolarHBondContact CE1-OD1 2.97Å; H1905-N1907 PolarHBondContact O-N 2.97Å; N1907-Y1925 WeakPolarHBondContact O-CA 2.97Å; N1907-Y1925 VanDerWaalsContact O-CD2 3.31Å; N1907-Y1925 WeakPolarHBondContact O-CD2 3.19Å; N1907-Y1926 PolarHBondContact N-O 2.83Å; N1907-Y1926 PolarHBondContact O-N 3.18Å; N1907-Y1926 VanDerWaalsContact O-N 3.11Å
1908	I	30.1	Very low	28.8	Very low	105.4 Å²	105.4	119.5 Å²	119.5	54%	0.541	58%	0.581	S	S	.	*			trans	-122.5	111.4	163.6	-59.4	176.4	0	0	0	108.1	W1872 F1880 I1891 Y1923 N1924 Y1925	W1872-I1908 HydrophobicContact CH2-CD1 4.06Å; W1872-I1908 HydrophobicContact CZ3-CD1 4.33Å; F1880-I1908 HydrophobicContact CD2-CD1 4.1Å; I1891-I1908 HydrophobicContact CD1-CD1 4.15Å; I1908-Y1923 HydrophobicContact CG2-CD1 3.91Å; I1908-N1924 WeakPolarHBondContact CA-O 3.47Å; I1908-Y1925 HydrophobicContact CB-CD1 4.44Å; I1908-Y1925 HydrophobicContact CB-CE1 4.39Å; I1908-Y1925 HydrophobicContact CD1-CD1 4.19Å; I1908-Y1925 HydrophobicContact CD1-CD2 4.46Å; I1908-Y1925 HydrophobicContact CD1-CE1 3.8Å; I1908-Y1925 HydrophobicContact CG1-CD1 3.76Å; I1908-Y1925 HydrophobicContact CG1-CD2 3.55Å; I1908-Y1925 HydrophobicContact CG1-CE1 3.81Å; I1908-Y1925 HydrophobicContact CG1-CE2 3.99Å; I1908-Y1925 HydrophobicContact CG2-CD1 4.14Å; I1908-Y1925 HydrophobicContact CG2-CE1 3.76Å
1909	T	29.2	Very low	28.9	Very low	83.8 Å²	83.8	115.3 Å²	115.3	51%	0.514	57%	0.57	S	S	.	*			trans	-108.8	128.7	156.3	53.2	0	0	0	0	112.2	F1869 M1911 Y1923 N1924	F1869-T1909 HydrophobicContact CD1-CG2 4.31Å; F1869-T1909 HydrophobicContact CE1-CG2 3.98Å; T1909-M1911 PolarHBondContact O-N 3.16Å; T1909-M1911 VanDerWaalsContact O-N 3.11Å; T1909-Y1923 WeakPolarHBondContact O-CA 3.33Å; T1909-Y1923 WeakPolarHBondContact O-CB 2.93Å; T1909-N1924 PolarHBondContact N-O 3.12Å; T1909-N1924 PolarHBondContact O-N 2.7Å
1910	K	29.3	Very low	29	Very low	126.8 Å²	126.8	112.9 Å²	112.9	55%	0.551	56%	0.561	S	S	*	*			trans	-80.1	133.6	173.5	-151	176.7	-179.5	177.5	0	112.7	F1868 Y1884 F1889 N1912 Q1922 Y1923	F1868-K1910 HydrophobicContact CB-CB 4.48Å; Y1884-K1910 PolarHBondContact OH-NZ 2.75Å; F1889-K1910 HydrophobicContact CB-CD 4.43Å; K1910-N1912 WeakPolarHBondContact CE-OD1 3.22Å; K1910-N1912 WeakPolarHBondContact CG-OD1 3.19Å; K1910-N1912 PolarHBondContact NZ-ND2 2.75Å; K1910-N1912 PolarHBondContact O-N 2.82Å; K1910-Q1922 CarbonylContact C-O 3.52Å; K1910-Q1922 VanDerWaalsContact CA-O 3.29Å; K1910-Q1922 WeakPolarHBondContact CA-O 3.07Å; K1910-Y1923 HydrophobicContact CB-CD1 3.96Å; K1910-Y1923 HydrophobicContact CB-CE1 4.19Å; K1910-Y1923 HydrophobicContact CB-CG 4.4Å; K1910-Y1923 HydrophobicContact CD-CD1 4.18Å; K1910-Y1923 HydrophobicContact CD-CE1 3.55Å; K1910-Y1923 HydrophobicContact CD-CE2 4.31Å; K1910-Y1923 WeakPolarHBondContact CE-OH 3.4Å; K1910-Y1923 HydrophobicContact CG-CD1 3.84Å; K1910-Y1923 HydrophobicContact CG-CD2 4.49Å; K1910-Y1923 HydrophobicContact CG-CE1 3.71Å; K1910-Y1923 HydrophobicContact CG-CE2 4.26Å; K1910-Y1923 HydrophobicContact CG-CG 4.43Å; K1910-Y1923 PolarHBondContact NZ-OH 3.09Å
1911	M	28.7	Very low	29.2	Very low	133 Å²	133	108.4 Å²	108.4	66%	0.655	55%	0.55	S	S	*	.			trans	-130.5	131.2	162.8	-78.8	-87.6	-125.5	0	0	110	N1861 Q1867 T1909 N1921 Q1922	N1861-M1911 PolarHBondContact ND2-SD 3.08Å; Q1867-M1911 HydrophobicContact CG-SD 3.71Å; Q1867-M1911 PolarHBondContact NE2-SD 2.82Å; T1909-M1911 PolarHBondContact O-N 3.16Å; T1909-M1911 VanDerWaalsContact O-N 3.11Å; M1911-N1921 CarbonylContact O-C 3.41Å; M1911-N1921 VanDerWaalsContact O-CA 3.28Å; M1911-N1921 WeakPolarHBondContact O-CA 3.3Å; M1911-Q1922 HydrophobicContact CB-CB 4.21Å; M1911-Q1922 PolarHBondContact N-O 3.13Å; M1911-Q1922 PolarHBondContact O-N 2.89Å
1912	N	29.9	Very low	29.3	Very low	79.2 Å²	79.2	108.3 Å²	108.3	42%	0.424	55%	0.545	S	S	.	.			trans	-127.5	138.8	-179.8	-79.2	-27.2	0	0	0	109.9	I1864 Y1865 E1866 Y1884 K1910 R1914 V1920 N1921 N2469	I1864-N1912 VanDerWaalsContact O-O 3.08Å; Y1865-N1912 WeakPolarHBondContact CA-O 3.4Å; E1866-N1912 HydrophobicContact CB-CB 4.22Å; E1866-N1912 PolarHBondContact O-N 3.01Å; E1866-N1912 PolarHBondContact OE2-ND2 3.25Å; Y1884-N1912 PolarHBondContact OH-ND2 3.07Å; K1910-N1912 WeakPolarHBondContact CE-OD1 3.22Å; K1910-N1912 WeakPolarHBondContact CG-OD1 3.19Å; K1910-N1912 PolarHBondContact NZ-ND2 2.75Å; K1910-N1912 PolarHBondContact O-N 2.82Å; N1912-R1914 PolarHBondContact ND2-NH2 2.8Å; N1912-R1914 VanDerWaalsContact ND2-NH2 3.2Å; N1912-V1920 CarbonylContact C-O 3.36Å; N1912-V1920 WeakPolarHBondContact CA-O 3.46Å; N1912-N1921 WeakPolarHBondContact OD1-CB 3.21Å; N1912-N1921 VanDerWaalsContact OD1-CG 3.29Å; N1912-N1921 PolarHBondContact OD1-OD1 2.96Å; N1912-N1921 VanDerWaalsContact OD1-OD1 3.05Å; N1912-N2469 PolarHBondContact ND2-ND2 2.79Å; N1912-N2469 PolarHBondContact OD1-ND2 2.83Å; N1912-N2469 VanDerWaalsContact OD1-ND2 3.15Å
1913	E	30.1	Very low	29.5	Very low	115 Å²	115	110.7 Å²	110.7	54%	0.537	55%	0.549	S	S	.	.			trans	-81.8	139	162.4	-65.9	-165.8	163.5	0	0	114.3	N1861 Y1865 K1915 S1919 V1920	N1861-E1913 PolarHBondContact ND2-OE1 2.74Å; Y1865-E1913 HydrophobicContact CD1-CG 4.2Å; Y1865-E1913 HydrophobicContact CE1-CG 3.7Å; E1913-K1915 IonicContact OE2-NZ 3.33Å; E1913-K1915 PolarHBondContact OE2-NZ 3.02Å; E1913-S1919 CarbonylContact O-C 3.49Å; E1913-S1919 WeakPolarHBondContact O-CA 3.27Å; E1913-S1919 VanDerWaalsContact O-CB 3.29Å; E1913-S1919 WeakPolarHBondContact O-CB 3.23Å; E1913-V1920 HydrophobicContact CB-CB 4.44Å; E1913-V1920 PolarHBondContact N-O 3.07Å; E1913-V1920 PolarHBondContact O-N 2.84Å
1914	R	29.4	Very low	29.6	Very low	139.6 Å²	139.6	108.8 Å²	108.8	53%	0.527	54%	0.541	S	S	.	.			trans	-144.4	126.3	157.4	-85.1	-162.1	177.2	147.1	2.5	110	T1862 E1866 Y1884 N1912 Q2401 S2402 L2403 D2457	T1862-R1914 VanDerWaalsContact CB-O 3.31Å; T1862-R1914 WeakPolarHBondContact CB-O 3.37Å; T1862-R1914 PolarHBondContact OG1-O 3.3Å; E1866-R1914 VanDerWaalsContact CD-NH2 3.29Å; E1866-R1914 IonicContact OE1-CZ 2.68Å; E1866-R1914 VanDerWaalsContact OE1-CZ 3.3Å; E1866-R1914 IonicContact OE1-NH1 3.3Å; E1866-R1914 PolarHBondContact OE1-NH1 2.96Å; E1866-R1914 IonicContact OE1-NH2 2.66Å; E1866-R1914 PolarHBondContact OE1-NH2 2.81Å; E1866-R1914 VanDerWaalsContact OE1-NH2 3.14Å; E1866-R1914 IonicContact OE2-CZ 2.65Å; E1866-R1914 IonicContact OE2-NH1 3.58Å; E1866-R1914 IonicContact OE2-NH2 2.75Å; E1866-R1914 PolarHBondContact OE2-NH2 3.21Å; Y1884-R1914 PolarHBondContact OH-NH2 2.79Å; N1912-R1914 PolarHBondContact ND2-NH2 2.8Å; N1912-R1914 VanDerWaalsContact ND2-NH2 3.2Å; R1914-Q2401 WeakPolarHBondContact CD-O 3.03Å; R1914-Q2401 PolarHBondContact NE-O 3.4Å; R1914-Q2401 VanDerWaalsContact NE-O 3.1Å; R1914-S2402 PolarHBondContact NH2-O 3.48Å; R1914-L2403 HydrophobicContact CB-CD1 4.46Å; R1914-L2403 HydrophobicContact CG-CD1 3.84Å; R1914-D2457 VanDerWaalsContact CG-OD2 3.26Å; R1914-D2457 WeakPolarHBondContact CG-OD2 3.37Å; R1914-D2457 IonicContact CZ-OD2 2.71Å; R1914-D2457 IonicContact NE-OD2 2.64Å; R1914-D2457 PolarHBondContact NE-OD2 3.04Å; R1914-D2457 VanDerWaalsContact NE-OD2 3.13Å; R1914-D2457 PolarHBondContact NH1-O 2.74Å; R1914-D2457 IonicContact NH1-OD2 3.75Å; R1914-D2457 PolarHBondContact NH1-OD2 3.22Å; R1914-D2457 PolarHBondContact NH2-O 2.68Å; R1914-D2457 IonicContact NH2-OD2 3.5Å; R1914-D2457 PolarHBondContact NH2-OD2 3.44Å
1915	K	30.5	Very low	29.8	Very low	134.4 Å²	134.4	109.9 Å²	109.9	58%	0.584	54%	0.539	S	S	*	.			trans	-98.2	145.5	160.9	-73.3	-176.1	176.3	167.1	0	112.9	M1860 T1862 T1863 E1913 N1917 Y1918	M1860-K1915 VanDerWaalsContact O-CE 3.32Å; M1860-K1915 WeakPolarHBondContact O-CE 3.36Å; M1860-K1915 PolarHBondContact O-NZ 2.87Å; T1862-K1915 HydrophobicContact CG2-CB 3.81Å; T1862-K1915 HydrophobicContact CG2-CD 3.83Å; T1862-K1915 HydrophobicContact CG2-CG 3.6Å; T1862-K1915 VanDerWaalsContact OG1-CA 3.26Å; T1862-K1915 WeakPolarHBondContact OG1-CA 3.43Å; T1862-K1915 WeakPolarHBondContact OG1-CG 3.3Å; T1862-K1915 PolarHBondContact OG1-N 3.31Å; T1863-K1915 HydrophobicContact CG2-CD 4.16Å; T1863-K1915 HydrophobicContact CG2-CG 3.88Å; E1913-K1915 IonicContact OE2-NZ 3.33Å; E1913-K1915 PolarHBondContact OE2-NZ 3.02Å; K1915-N1917 PolarHBondContact O-N 2.88Å; K1915-N1917 VanDerWaalsContact O-N 3.15Å; K1915-Y1918 CarbonylContact C-O 3.53Å; K1915-Y1918 HydrophobicContact CB-CE1 4.28Å; K1915-Y1918 HydrophobicContact CB-CE2 4.46Å; K1915-Y1918 HydrophobicContact CD-CE1 4.45Å; K1915-Y1918 HydrophobicContact CD-CE2 4.1Å; K1915-Y1918 WeakPolarHBondContact CD-OH 3.3Å; K1915-Y1918 PolarHBondContact N-O 3.36Å; K1915-Y1918 PolarHBondContact NZ-OH 2.86Å; K1915-Y1918 PolarHBondContact O-N 3.02Å
1916	Q	32.1	Very low	29.8	Very low	131.2 Å²	131.2	111.1 Å²	111.1	61%	0.613	54%	0.54	S	S	*	.			trans	-127.2	141.9	157.2	-90	167.8	-13.4	0	0	117.2	Y2291 F2400 Q2401	Q1916-Y2291 PolarHBondContact OE1-OH 2.89Å; Q1916-F2400 PolarHBondContact NE2-O 3.49Å; Q1916-Q2401 HydrophobicContact CB-CG 4.07Å; Q1916-Q2401 HydrophobicContact CG-CG 3.98Å; Q1916-Q2401 VanDerWaalsContact OE1-N 3.12Å
1917	N	28.1	Very low	30	Very low	121.2 Å²	121.2	111 Å²	111	65%	0.648	54%	0.539	S	S	*	.			trans	-97.5	73.8	171.6	-59.8	-15.9	0	0	0	115.7	K1915 K1949	K1915-N1917 PolarHBondContact O-N 2.88Å; K1915-N1917 VanDerWaalsContact O-N 3.15Å; N1917-K1949 WeakPolarHBondContact O-CB 3.05Å; N1917-K1949 PolarHBondContact O-N 2.9Å
1918	Y	30.1	Very low	30	Very low	142.8 Å²	142.8	111 Å²	111	56%	0.56	54%	0.539	S	S	*	.			trans	-150.9	153	153.2	-36.9	-86.7	0	0	0	113.1	K1857 K1915 V1920 Y1947 Q2379	K1857-Y1918 PolarHBondContact NZ-O 2.71Å; K1915-Y1918 CarbonylContact C-O 3.53Å; K1915-Y1918 HydrophobicContact CB-CE1 4.28Å; K1915-Y1918 HydrophobicContact CB-CE2 4.46Å; K1915-Y1918 HydrophobicContact CD-CE1 4.45Å; K1915-Y1918 HydrophobicContact CD-CE2 4.1Å; K1915-Y1918 WeakPolarHBondContact CD-OH 3.3Å; K1915-Y1918 PolarHBondContact N-O 3.36Å; K1915-Y1918 PolarHBondContact NZ-OH 2.86Å; K1915-Y1918 PolarHBondContact O-N 3.02Å; Y1918-V1920 HydrophobicContact CD2-CG2 3.96Å; Y1918-V1920 HydrophobicContact CE2-CG2 4.04Å; Y1918-Y1947 CarbonylContact C-O 3.43Å; Y1918-Y1947 WeakPolarHBondContact CA-O 3.43Å; Y1918-Y1947 WeakPolarHBondContact CB-O 3.24Å; Y1918-Q2379 PolarHBondContact OH-NE2 2.91Å
1919	S	31	Very low	30	Very low	75.2 Å²	75.2	113.3 Å²	113.3	53%	0.526	54%	0.542	S	S	.	.			trans	-104.4	142.4	174.2	51.5	0	0	0	0	111.8	E1913 Y1947	E1913-S1919 CarbonylContact O-C 3.49Å; E1913-S1919 WeakPolarHBondContact O-CA 3.27Å; E1913-S1919 VanDerWaalsContact O-CB 3.29Å; E1913-S1919 WeakPolarHBondContact O-CB 3.23Å; S1919-Y1947 PolarHBondContact N-O 2.83Å; S1919-Y1947 VanDerWaalsContact N-O 3.08Å; S1919-Y1947 PolarHBondContact O-N 2.9Å
1920	V	29.7	Very low	30	Very low	81.2 Å²	81.2	116.6 Å²	116.6	49%	0.492	55%	0.549	S	S	.	.			trans	-123.6	125.5	170.5	178.2	0	0	0	0	110	N1912 E1913 Y1918 Q1922 I1944 I1945 I1946	N1912-V1920 CarbonylContact C-O 3.36Å; N1912-V1920 WeakPolarHBondContact CA-O 3.46Å; E1913-V1920 HydrophobicContact CB-CB 4.44Å; E1913-V1920 PolarHBondContact N-O 3.07Å; E1913-V1920 PolarHBondContact O-N 2.84Å; Y1918-V1920 HydrophobicContact CD2-CG2 3.96Å; Y1918-V1920 HydrophobicContact CE2-CG2 4.04Å; V1920-Q1922 HydrophobicContact CG1-CG 4.44Å; V1920-Q1922 PolarHBondContact O-N 2.89Å; V1920-I1944 HydrophobicContact CG1-CG2 3.81Å; V1920-I1945 CarbonylContact C-O 3.44Å; V1920-I1945 WeakPolarHBondContact CA-O 3.32Å; V1920-I1946 HydrophobicContact CG1-CG1 4.23Å; V1920-I1946 HydrophobicContact CG2-CD1 4.49Å; V1920-I1946 HydrophobicContact CG2-CG1 4.26Å; V1920-I1946 HydrophobicContact CG2-CG2 4.29Å
1921	N	31.8	Very low	30	Very low	76.8 Å²	76.8	115.7 Å²	115.7	41%	0.411	55%	0.549	S	S	.	.			trans	-91.3	130.6	171.6	-62.9	-27.9	0	0	0	110.2	Y1884 M1911 N1912 Y1923 I1944 I1945	Y1884-N1921 WeakPolarHBondContact CE2-ND2 3.5Å; M1911-N1921 CarbonylContact O-C 3.41Å; M1911-N1921 VanDerWaalsContact O-CA 3.28Å; M1911-N1921 WeakPolarHBondContact O-CA 3.3Å; N1912-N1921 WeakPolarHBondContact OD1-CB 3.21Å; N1912-N1921 VanDerWaalsContact OD1-CG 3.29Å; N1912-N1921 PolarHBondContact OD1-OD1 2.96Å; N1912-N1921 VanDerWaalsContact OD1-OD1 3.05Å; N1921-Y1923 HydrophobicContact CB-CD2 4.2Å; N1921-Y1923 HydrophobicContact CB-CE2 3.84Å; N1921-Y1923 PolarHBondContact O-N 3.3Å; N1921-I1944 CarbonylContact O-C 3.46Å; N1921-I1944 WeakPolarHBondContact O-CA 3.48Å; N1921-I1945 HydrophobicContact CB-CB 4.49Å; N1921-I1945 PolarHBondContact N-O 3.1Å; N1921-I1945 PolarHBondContact O-N 2.91Å
1922	Q	29.9	Very low	30.1	Very low	121.4 Å²	121.4	112.8 Å²	112.8	57%	0.567	54%	0.542	S	S	*	.			trans	-102.1	131.4	168.7	-73.7	179.5	-27.3	0	0	110.8	K1910 M1911 V1920 T1943 I1944 S1975	K1910-Q1922 CarbonylContact C-O 3.52Å; K1910-Q1922 VanDerWaalsContact CA-O 3.29Å; K1910-Q1922 WeakPolarHBondContact CA-O 3.07Å; M1911-Q1922 HydrophobicContact CB-CB 4.21Å; M1911-Q1922 PolarHBondContact N-O 3.13Å; M1911-Q1922 PolarHBondContact O-N 2.89Å; V1920-Q1922 HydrophobicContact CG1-CG 4.44Å; V1920-Q1922 PolarHBondContact O-N 2.89Å; Q1922-T1943 CarbonylContact C-O 3.56Å; Q1922-T1943 WeakPolarHBondContact CA-O 3.38Å; Q1922-I1944 HydrophobicContact CG-CD1 4.47Å; Q1922-I1944 HydrophobicContact CG-CG1 3.92Å; Q1922-I1944 HydrophobicContact CG-CG2 4.3Å; Q1922-S1975 PolarHBondContact NE2-OG 2.89Å; Q1922-S1975 PolarHBondContact OE1-OG 2.98Å
1923	Y	31.9	Very low	30.2	Very low	132.8 Å²	132.8	115.5 Å²	115.5	52%	0.521	55%	0.55	S	S	.	*			trans	-119.3	132.6	167.8	-66.8	-98.4	0	0	0	110	I1908 T1909 K1910 N1921 Y1925 T1943 I1945	I1908-Y1923 HydrophobicContact CG2-CD1 3.91Å; T1909-Y1923 WeakPolarHBondContact O-CA 3.33Å; T1909-Y1923 WeakPolarHBondContact O-CB 2.93Å; K1910-Y1923 HydrophobicContact CB-CD1 3.96Å; K1910-Y1923 HydrophobicContact CB-CE1 4.19Å; K1910-Y1923 HydrophobicContact CB-CG 4.4Å; K1910-Y1923 HydrophobicContact CD-CD1 4.18Å; K1910-Y1923 HydrophobicContact CD-CE1 3.55Å; K1910-Y1923 HydrophobicContact CD-CE2 4.31Å; K1910-Y1923 WeakPolarHBondContact CE-OH 3.4Å; K1910-Y1923 HydrophobicContact CG-CD1 3.84Å; K1910-Y1923 HydrophobicContact CG-CD2 4.49Å; K1910-Y1923 HydrophobicContact CG-CE1 3.71Å; K1910-Y1923 HydrophobicContact CG-CE2 4.26Å; K1910-Y1923 HydrophobicContact CG-CG 4.43Å; K1910-Y1923 PolarHBondContact NZ-OH 3.09Å; N1921-Y1923 HydrophobicContact CB-CD2 4.2Å; N1921-Y1923 HydrophobicContact CB-CE2 3.84Å; N1921-Y1923 PolarHBondContact O-N 3.3Å; Y1923-Y1925 HydrophobicContact CD1-CE2 4.36Å; Y1923-Y1925 HydrophobicContact CG-CE2 4.24Å; Y1923-Y1925 PolarHBondContact O-N 2.86Å; Y1923-T1943 WeakPolarHBondContact CB-OG1 3.36Å; Y1923-T1943 PolarHBondContact N-O 2.87Å; Y1923-T1943 PolarHBondContact O-N 2.77Å; Y1923-T1943 PolarHBondContact O-OG1 3.04Å; Y1923-T1943 VanDerWaalsContact O-OG1 3.13Å; Y1923-I1945 HydrophobicContact CE2-CD1 3.97Å; Y1923-I1945 HydrophobicContact CE2-CG1 4.49Å
1924	N	29.2	Very low	30.3	Very low	91.2 Å²	91.2	113.2 Å²	113.2	49%	0.488	54%	0.537	S	S	.	.			trans	-108.6	132.1	168	-70.9	-35.9	0	0	0	110.4	I1908 T1909 Y1926 L1940 N1941 N1942 S1975	I1908-N1924 WeakPolarHBondContact CA-O 3.47Å; T1909-N1924 PolarHBondContact N-O 3.12Å; T1909-N1924 PolarHBondContact O-N 2.7Å; N1924-Y1926 HydrophobicContact CB-CD2 4.33Å; N1924-Y1926 HydrophobicContact CB-CE2 4.08Å; N1924-Y1926 PolarHBondContact O-N 3.32Å; N1924-L1940 CarbonylContact C-O 3.51Å; N1924-L1940 VanDerWaalsContact CA-O 3.27Å; N1924-L1940 WeakPolarHBondContact CA-O 3.45Å; N1924-N1941 WeakPolarHBondContact OD1-CA 2.96Å; N1924-N1942 PolarHBondContact OD1-N 2.96Å; N1924-N1942 PolarHBondContact OD1-OD1 3.4Å; N1924-S1975 PolarHBondContact ND2-O 3.36Å; N1924-S1975 PolarHBondContact ND2-OG 3.07Å; N1924-S1975 PolarHBondContact OD1-OG 3.27Å
1925	Y	30.9	Very low	30.7	Very low	134.8 Å²	134.8	109.7 Å²	109.7	53%	0.529	53%	0.527	S	S	.	.			trans	-115.8	131	170.8	-108.5	-101.7	0	0	0	110.3	Y1892 Y1893 N1907 I1908 Y1923 F1938 L1940	Y1892-Y1925 AromaticContact CD1-CD1 3.8Å; Y1892-Y1925 HydrophobicContact CD1-CD1 3.8Å; Y1892-Y1925 HydrophobicContact CD1-CG 4.13Å; Y1892-Y1925 HydrophobicContact CD2-CD1 4.49Å; Y1892-Y1925 HydrophobicContact CD2-CG 4.34Å; Y1892-Y1925 AromaticContact CE1-CD1 3.86Å; Y1892-Y1925 HydrophobicContact CE1-CD1 3.86Å; Y1892-Y1925 AromaticContact CE1-CG 3.78Å; Y1892-Y1925 HydrophobicContact CE1-CG 3.78Å; Y1892-Y1925 HydrophobicContact CE2-CD1 4.44Å; Y1892-Y1925 HydrophobicContact CE2-CD2 4.15Å; Y1892-Y1925 AromaticContact CE2-CG 3.9Å; Y1892-Y1925 HydrophobicContact CE2-CG 3.9Å; Y1892-Y1925 HydrophobicContact CG-CD1 4.2Å; Y1892-Y1925 HydrophobicContact CG-CG 4.46Å; Y1892-Y1925 AromaticContact CZ-CG 3.65Å; Y1892-Y1925 WeakPolarHBondContact OH-CB 2.94Å; Y1893-Y1925 VanDerWaalsContact OH-CE2 3.25Å; Y1893-Y1925 WeakPolarHBondContact OH-CE2 3.19Å; Y1893-Y1925 PolarHBondContact OH-OH 2.9Å; N1907-Y1925 WeakPolarHBondContact O-CA 2.97Å; N1907-Y1925 VanDerWaalsContact O-CD2 3.31Å; N1907-Y1925 WeakPolarHBondContact O-CD2 3.19Å; I1908-Y1925 HydrophobicContact CB-CD1 4.44Å; I1908-Y1925 HydrophobicContact CB-CE1 4.39Å; I1908-Y1925 HydrophobicContact CD1-CD1 4.19Å; I1908-Y1925 HydrophobicContact CD1-CD2 4.46Å; I1908-Y1925 HydrophobicContact CD1-CE1 3.8Å; I1908-Y1925 HydrophobicContact CG1-CD1 3.76Å; I1908-Y1925 HydrophobicContact CG1-CD2 3.55Å; I1908-Y1925 HydrophobicContact CG1-CE1 3.81Å; I1908-Y1925 HydrophobicContact CG1-CE2 3.99Å; I1908-Y1925 HydrophobicContact CG2-CD1 4.14Å; I1908-Y1925 HydrophobicContact CG2-CE1 3.76Å; Y1923-Y1925 HydrophobicContact CD1-CE2 4.36Å; Y1923-Y1925 HydrophobicContact CG-CE2 4.24Å; Y1923-Y1925 PolarHBondContact O-N 2.86Å; Y1925-F1938 HydrophobicContact CD1-CE2 4.44Å; Y1925-F1938 HydrophobicContact CE1-CD2 4.11Å; Y1925-F1938 AromaticContact CE1-CE2 3.55Å; Y1925-F1938 HydrophobicContact CE1-CE2 3.55Å; Y1925-F1938 AromaticContact CZ-CE2 3.86Å; Y1925-L1940 HydrophobicContact CD1-CB 4.34Å; Y1925-L1940 PolarHBondContact N-O 3.36Å; Y1925-L1940 PolarHBondContact O-N 2.92Å; Y1925-L1940 VanDerWaalsContact O-O 3.1Å
1926	Y	28.8	Very low	31	Very low	151.4 Å²	151.4	105.2 Å²	105.2	59%	0.594	51%	0.509	S	S	*	.			trans	-128	132.6	170.8	-77.2	-89.8	0	0	0	109.7	G1906 N1907 N1924 Q1939 N1941 Y1972 I1973	G1906-Y1926 CarbonylContact C-O 3.56Å; G1906-Y1926 WeakPolarHBondContact CA-O 3.08Å; N1907-Y1926 PolarHBondContact N-O 2.83Å; N1907-Y1926 PolarHBondContact O-N 3.18Å; N1907-Y1926 VanDerWaalsContact O-N 3.11Å; N1924-Y1926 HydrophobicContact CB-CD2 4.33Å; N1924-Y1926 HydrophobicContact CB-CE2 4.08Å; N1924-Y1926 PolarHBondContact O-N 3.32Å; Y1926-Q1939 HydrophobicContact CD1-CB 4.24Å; Y1926-Q1939 HydrophobicContact CD1-CG 3.96Å; Y1926-Q1939 HydrophobicContact CE1-CB 4.48Å; Y1926-Q1939 HydrophobicContact CE1-CG 3.75Å; Y1926-Q1939 HydrophobicContact CG-CG 4.46Å; Y1926-Q1939 PolarHBondContact OH-NE2 2.94Å; Y1926-Q1939 VanDerWaalsContact OH-NE2 3.12Å; Y1926-N1941 PolarHBondContact OH-OD1 2.76Å; Y1926-Y1972 HydrophobicContact CD1-CD1 4.38Å; Y1926-Y1972 HydrophobicContact CD1-CE1 4.43Å; Y1926-Y1972 AromaticContact CD2-CD1 4Å; Y1926-Y1972 HydrophobicContact CD2-CD1 4Å; Y1926-Y1972 AromaticContact CD2-CE1 3.99Å; Y1926-Y1972 HydrophobicContact CD2-CE1 3.99Å; Y1926-Y1972 HydrophobicContact CE2-CD1 4.38Å; Y1926-Y1972 HydrophobicContact CG-CD1 4.02Å; Y1926-Y1972 AromaticContact CG-CE1 3.8Å; Y1926-Y1972 HydrophobicContact CG-CE1 3.8Å; Y1926-I1973 WeakPolarHBondContact OH-CB 3.35Å; Y1926-I1973 PolarHBondContact OH-O 2.93Å
1927	G	31.2	Very low	31.2	Very low	43.2 Å²	43.2	101.5 Å²	101.5	45%	0.445	49%	0.493	S	S	.	.			trans	-129	146.1	170.9	0	0	0	0	0	113.2	H1905 D1937 F1938	H1905-G1927 CarbonylContact O-C 3.32Å; H1905-G1927 WeakPolarHBondContact O-CA 3.42Å; G1927-D1937 WeakPolarHBondContact O-CA 3.13Å; G1927-F1938 VanDerWaalsContact C-CE1 3.49Å; G1927-F1938 VanDerWaalsContact CA-CE2 3.4Å; G1927-F1938 PolarHBondContact N-O 3.04Å; G1927-F1938 VanDerWaalsContact N-O 3.13Å; G1927-F1938 WeakPolarHBondContact O-CD1 3.47Å; G1927-F1938 WeakPolarHBondContact O-CE1 3.41Å; G1927-F1938 WeakPolarHBondContact O-CG 3.31Å; G1927-F1938 PolarHBondContact O-N 3.06Å; G1927-F1938 VanDerWaalsContact O-O 3.06Å
1928	N	28.1	Very low	31.7	Very low	110 Å²	110	98 Å²	98	59%	0.588	47%	0.472	S	S	*	.			trans	-122.5	124.5	177.2	-73.4	-1.9	0	0	0	109.8	I1904 H1905 H1935 I1936 D1937 Y1972	I1904-N1928 WeakPolarHBondContact CA-O 3.28Å; H1905-N1928 PolarHBondContact N-O 2.83Å; H1905-N1928 VanDerWaalsContact N-O 3.13Å; H1905-N1928 PolarHBondContact O-N 2.85Å; N1928-H1935 PolarHBondContact ND2-CE1 3.25Å; N1928-I1936 CarbonylContact C-O 3.26Å; N1928-D1937 WeakPolarHBondContact CB-OD1 3.26Å; N1928-D1937 PolarHBondContact ND2-OD1 2.98Å; N1928-D1937 PolarHBondContact OD1-OD1 2.84Å; N1928-Y1972 PolarHBondContact OD1-OH 2.91Å
1929	Y	29.4	Very low	32.1	Very low	155 Å²	155	94.7 Å²	94.7	61%	0.608	46%	0.462	S	S	*	.			trans	-98.1	126.8	169.1	-125	-108.5	0	0	0	109.7	Y1877 N1902 M1903 I1904 I1931 I1936	Y1877-Y1929 PolarHBondContact OH-OH 2.65Å; N1902-Y1929 HydrophobicContact CB-CE2 3.61Å; M1903-Y1929 WeakPolarHBondContact O-CD2 3.28Å; I1904-Y1929 HydrophobicContact CB-CD2 4.42Å; I1904-Y1929 HydrophobicContact CD1-CD2 4.17Å; I1904-Y1929 HydrophobicContact CD1-CE2 4.05Å; I1904-Y1929 HydrophobicContact CG1-CD2 3.55Å; I1904-Y1929 HydrophobicContact CG1-CE2 3.73Å; I1904-Y1929 HydrophobicContact CG1-CG 4.21Å; I1904-Y1929 HydrophobicContact CG2-CD2 4.3Å; Y1929-I1931 HydrophobicContact CD1-CD1 4.15Å; Y1929-I1931 HydrophobicContact CD1-CG1 3.9Å; Y1929-I1931 HydrophobicContact CE1-CD1 3.61Å; Y1929-I1931 HydrophobicContact CE1-CG1 3.41Å; Y1929-I1936 HydrophobicContact CD1-CD1 4.41Å; Y1929-I1936 PolarHBondContact N-O 3.25Å; Y1929-I1936 PolarHBondContact O-N 2.68Å; Y1929-I1936 VanDerWaalsContact O-O 3.11Å
1930	K	29	Very low	32.4	Very low	151.6 Å²	151.6	93.7 Å²	93.7	66%	0.659	45%	0.45	S	S	*	.			trans	-126.5	125.8	171.3	-91.3	179.1	179.6	174.5	0	111.2	N1902 M1903 H1935	N1902-K1930 WeakPolarHBondContact CA-O 3.13Å; N1902-K1930 WeakPolarHBondContact CB-O 3.46Å; N1902-K1930 PolarHBondContact OD1-O 3.15Å; M1903-K1930 PolarHBondContact N-O 3.2Å; M1903-K1930 VanDerWaalsContact N-O 3.14Å; M1903-K1930 PolarHBondContact O-N 3.3Å; K1930-H1935 WeakPolarHBondContact CE-CD2 3.21Å; K1930-H1935 WeakPolarHBondContact CE-NE2 3.36Å
1931	I	29.8	Very low	32.6	Very low	108 Å²	108	92.1 Å²	92.1	55%	0.554	44%	0.439	S	S	*	.			trans	-104.5	139.8	171.9	-54.2	167.4	0	0	0	107.8	N1902 Y1929 F1933 Y1934 I1936	N1902-I1931 WeakPolarHBondContact OD1-CA 3.16Å; Y1929-I1931 HydrophobicContact CD1-CD1 4.15Å; Y1929-I1931 HydrophobicContact CD1-CG1 3.9Å; Y1929-I1931 HydrophobicContact CE1-CD1 3.61Å; Y1929-I1931 HydrophobicContact CE1-CG1 3.41Å; I1931-F1933 HydrophobicContact CG2-CD2 3.46Å; I1931-F1933 VanDerWaalsContact CG2-CD2 3.46Å; I1931-F1933 HydrophobicContact CG2-CE2 3.64Å; I1931-F1933 HydrophobicContact CG2-CZ 4.32Å; I1931-F1933 PolarHBondContact O-N 2.81Å; I1931-F1933 VanDerWaalsContact O-N 3.09Å; I1931-Y1934 PolarHBondContact N-O 2.96Å; I1931-Y1934 VanDerWaalsContact N-O 3.15Å; I1931-Y1934 PolarHBondContact O-N 3.03Å; I1931-Y1934 VanDerWaalsContact O-N 3.14Å; I1931-Y1934 VanDerWaalsContact O-O 3.07Å; I1931-I1936 HydrophobicContact CD1-CD1 4.05Å
1932	S	30.9	Very low	32.7	Very low	73.8 Å²	73.8	93.3 Å²	93.3	52%	0.516	45%	0.446	S	S	.	.			trans	-52	119.8	173.5	48	0	0	0	0	115.2	Y1934	S1932-Y1934 PolarHBondContact O-N 2.93Å
1933	F	31.5	Very low	32.8	Very low	134.6 Å²	134.6	89.3 Å²	89.3	59%	0.59	43%	0.429	S	S	*	.			trans	-166.4	1.2	170	-68.9	-73.6	0	0	0	118.4	I1931 Y1971 P2027 N2028 S2029	I1931-F1933 HydrophobicContact CG2-CD2 3.46Å; I1931-F1933 VanDerWaalsContact CG2-CD2 3.46Å; I1931-F1933 HydrophobicContact CG2-CE2 3.64Å; I1931-F1933 HydrophobicContact CG2-CZ 4.32Å; I1931-F1933 PolarHBondContact O-N 2.81Å; I1931-F1933 VanDerWaalsContact O-N 3.09Å; F1933-Y1971 VanDerWaalsContact N-CE2 3.29Å; F1933-Y1971 PolarHBondContact N-OH 2.83Å; F1933-P2027 CarbonylContact O-C 3.5Å; F1933-P2027 VanDerWaalsContact O-CA 3.32Å; F1933-P2027 WeakPolarHBondContact O-CA 3.04Å; F1933-N2028 PolarHBondContact O-N 3.16Å; F1933-S2029 VanDerWaalsContact CD1-OG 3.27Å; F1933-S2029 WeakPolarHBondContact CD1-OG 3.3Å; F1933-S2029 WeakPolarHBondContact CE1-OG 3.1Å
1934	Y	33.4	Very low	32.7	Very low	67.8 Å²	67.8	87.3 Å²	87.3	27%	0.266	43%	0.427	S	S	.	.			trans	-150.3	139.6	178.5	-60.2	-77.5	0	0	0	115.2	I1931 S1932 T1969 Y1971 I2001 I2025 I2026 P2027 S2029 F2030 I2033 P2061 Y2062 L2063	I1931-Y1934 PolarHBondContact N-O 2.96Å; I1931-Y1934 VanDerWaalsContact N-O 3.15Å; I1931-Y1934 PolarHBondContact O-N 3.03Å; I1931-Y1934 VanDerWaalsContact O-N 3.14Å; I1931-Y1934 VanDerWaalsContact O-O 3.07Å; S1932-Y1934 PolarHBondContact O-N 2.93Å; Y1934-T1969 VanDerWaalsContact O-CB 3.32Å; Y1934-T1969 WeakPolarHBondContact O-CB 3.44Å; Y1934-T1969 WeakPolarHBondContact O-CG2 3.4Å; Y1934-T1969 PolarHBondContact O-OG1 3.27Å; Y1934-Y1971 PolarHBondContact N-OH 2.77Å; Y1934-Y1971 VanDerWaalsContact O-CE2 3.31Å; Y1934-Y1971 WeakPolarHBondContact O-CE2 3.32Å; Y1934-I2001 HydrophobicContact CD2-CD1 3.72Å; Y1934-I2001 HydrophobicContact CE2-CD1 3.72Å; Y1934-I2025 HydrophobicContact CD1-CG2 3.82Å; Y1934-I2025 HydrophobicContact CG-CG2 4.47Å; Y1934-I2026 CarbonylContact C-O 3.47Å; Y1934-I2026 VanDerWaalsContact CA-O 3.27Å; Y1934-I2026 WeakPolarHBondContact CA-O 3.41Å; Y1934-P2027 HydrophobicContact CD1-CB 3.7Å; Y1934-P2027 HydrophobicContact CE1-CB 3.81Å; Y1934-S2029 WeakPolarHBondContact CE1-O 3.25Å; Y1934-S2029 PolarHBondContact OH-O 3.07Å; Y1934-F2030 HydrophobicContact CD1-CE1 4.18Å; Y1934-F2030 AromaticContact CD1-CE2 3.82Å; Y1934-F2030 HydrophobicContact CD1-CE2 3.82Å; Y1934-F2030 AromaticContact CD1-CZ 3.52Å; Y1934-F2030 HydrophobicContact CD1-CZ 3.52Å; Y1934-F2030 HydrophobicContact CE1-CD1 4.19Å; Y1934-F2030 HydrophobicContact CE1-CD2 4.3Å; Y1934-F2030 AromaticContact CE1-CE1 3.38Å; Y1934-F2030 HydrophobicContact CE1-CE1 3.38Å; Y1934-F2030 AromaticContact CE1-CE2 3.63Å; Y1934-F2030 HydrophobicContact CE1-CE2 3.95Å; Y1934-F2030 AromaticContact CE1-CZ 3.18Å; Y1934-F2030 HydrophobicContact CE1-CZ 3.18Å; Y1934-F2030 AromaticContact CZ-CE2 3.84Å; Y1934-F2030 WeakPolarHBondContact OH-CE2 3.45Å; Y1934-I2033 HydrophobicContact CE1-CD1 3.91Å; Y1934-I2033 HydrophobicContact CE2-CD1 4.06Å; Y1934-I2033 VanDerWaalsContact OH-CD1 3.23Å; Y1934-I2033 WeakPolarHBondContact OH-CD1 3.48Å; Y1934-P2061 HydrophobicContact CE2-CB 3.82Å; Y1934-Y2062 PolarHBondContact OH-N 3.12Å; Y1934-L2063 HydrophobicContact CE1-CD1 4.35Å
1935	H	37	Very low	32.8	Very low	65 Å²	65	86.5 Å²	86.5	30%	0.301	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.2	169.3	-141.5	-83.8	0	0	0	109.1	N1928 K1930 D1937 I2025 I2026	N1928-H1935 PolarHBondContact ND2-CE1 3.25Å; K1930-H1935 WeakPolarHBondContact CE-CD2 3.21Å; K1930-H1935 WeakPolarHBondContact CE-NE2 3.36Å; H1935-D1937 IonicContact CE1-OD1 3.41Å; H1935-D1937 PolarHBondContact CE1-OD1 2.82Å; H1935-D1937 IonicContact CE1-OD2 3.47Å; H1935-D1937 IonicContact ND1-OD1 3.2Å; H1935-D1937 PolarHBondContact ND1-OD1 3Å; H1935-D1937 IonicContact ND1-OD2 3.57Å; H1935-D1937 PolarHBondContact ND1-OD2 3.2Å; H1935-I2025 CarbonylContact O-C 3.41Å; H1935-I2025 VanDerWaalsContact O-CA 3.26Å; H1935-I2025 WeakPolarHBondContact O-CA 3.32Å; H1935-I2026 HydrophobicContact CB-CB 4.33Å; H1935-I2026 PolarHBondContact N-O 3.17Å; H1935-I2026 CarbonylContact O-C 3.54Å; H1935-I2026 PolarHBondContact O-N 2.95Å; H1935-I2026 VanDerWaalsContact O-O 3.09Å
1936	I	36.7	Very low	32.6	Very low	41.2 Å²	41.2	85 Å²	85	21%	0.211	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.9	174.9	-57.6	177.7	0	0	0	108	N1928 Y1929 I1931 F1938 F1997 N1999 I2023 K2024 I2025	N1928-I1936 CarbonylContact C-O 3.26Å; Y1929-I1936 HydrophobicContact CD1-CD1 4.41Å; Y1929-I1936 PolarHBondContact N-O 3.25Å; Y1929-I1936 PolarHBondContact O-N 2.68Å; Y1929-I1936 VanDerWaalsContact O-O 3.11Å; I1931-I1936 HydrophobicContact CD1-CD1 4.05Å; I1936-F1938 HydrophobicContact CG2-CD2 4.24Å; I1936-F1997 HydrophobicContact CD1-CZ 4.46Å; I1936-F1997 HydrophobicContact CG2-CZ 4.33Å; I1936-N1999 VanDerWaalsContact CD1-ND2 3.34Å; I1936-N1999 WeakPolarHBondContact CD1-ND2 3.21Å; I1936-I2023 HydrophobicContact CG2-CG2 3.92Å; I1936-K2024 VanDerWaalsContact CA-O 3.29Å; I1936-K2024 WeakPolarHBondContact CA-O 3.25Å; I1936-I2025 HydrophobicContact CG1-CG1 4.11Å; I1936-I2025 HydrophobicContact CG1-CG2 4.22Å; I1936-I2025 HydrophobicContact CG2-CG1 4.19Å
1937	D	37.6	Very low	32.6	Very low	52.4 Å²	52.4	83.8 Å²	83.8	28%	0.28	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.9	177.5	-60.5	-23.6	0	0	0	109	G1927 N1928 H1935 I2023 K2024	G1927-D1937 WeakPolarHBondContact O-CA 3.13Å; N1928-D1937 WeakPolarHBondContact CB-OD1 3.26Å; N1928-D1937 PolarHBondContact ND2-OD1 2.98Å; N1928-D1937 PolarHBondContact OD1-OD1 2.84Å; H1935-D1937 IonicContact CE1-OD1 3.41Å; H1935-D1937 PolarHBondContact CE1-OD1 2.82Å; H1935-D1937 IonicContact CE1-OD2 3.47Å; H1935-D1937 IonicContact ND1-OD1 3.2Å; H1935-D1937 PolarHBondContact ND1-OD1 3Å; H1935-D1937 IonicContact ND1-OD2 3.57Å; H1935-D1937 PolarHBondContact ND1-OD2 3.2Å; D1937-I2023 CarbonylContact O-C 3.42Å; D1937-I2023 VanDerWaalsContact O-CA 3.22Å; D1937-I2023 WeakPolarHBondContact O-CA 3.47Å; D1937-K2024 HydrophobicContact CB-CB 4.32Å; D1937-K2024 PolarHBondContact N-O 3.22Å; D1937-K2024 PolarHBondContact O-N 3Å; D1937-K2024 VanDerWaalsContact O-N 3.15Å; D1937-K2024 VanDerWaalsContact O-O 3.13Å
1938	F	37.1	Very low	32.5	Very low	48.4 Å²	48.4	86.9 Å²	86.9	21%	0.212	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.1	179.7	151.1	-97.1	0	0	0	111.1	Y1925 G1927 I1936 L1940 F1997 I2009 L2011 F2021 S2022 I2023	Y1925-F1938 HydrophobicContact CD1-CE2 4.44Å; Y1925-F1938 HydrophobicContact CE1-CD2 4.11Å; Y1925-F1938 AromaticContact CE1-CE2 3.55Å; Y1925-F1938 HydrophobicContact CE1-CE2 3.55Å; Y1925-F1938 AromaticContact CZ-CE2 3.86Å; G1927-F1938 VanDerWaalsContact C-CE1 3.49Å; G1927-F1938 VanDerWaalsContact CA-CE2 3.4Å; G1927-F1938 PolarHBondContact N-O 3.04Å; G1927-F1938 VanDerWaalsContact N-O 3.13Å; G1927-F1938 WeakPolarHBondContact O-CD1 3.47Å; G1927-F1938 WeakPolarHBondContact O-CE1 3.41Å; G1927-F1938 WeakPolarHBondContact O-CG 3.31Å; G1927-F1938 PolarHBondContact O-N 3.06Å; G1927-F1938 VanDerWaalsContact O-O 3.06Å; I1936-F1938 HydrophobicContact CG2-CD2 4.24Å; F1938-L1940 HydrophobicContact CD1-CG 4.42Å; F1938-L1940 HydrophobicContact CE1-CD1 3.88Å; F1938-L1940 HydrophobicContact CE1-CD2 3.5Å; F1938-L1940 HydrophobicContact CE1-CG 3.62Å; F1938-L1940 HydrophobicContact CZ-CD1 3.93Å; F1938-L1940 HydrophobicContact CZ-CD2 4.05Å; F1938-L1940 HydrophobicContact CZ-CG 4.01Å; F1938-F1997 AromaticContact CD2-CE2 3.69Å; F1938-F1997 HydrophobicContact CD2-CE2 4.04Å; F1938-F1997 AromaticContact CD2-CZ 3.75Å; F1938-F1997 HydrophobicContact CD2-CZ 3.75Å; F1938-F1997 HydrophobicContact CE1-CE2 4.26Å; F1938-F1997 HydrophobicContact CE2-CD2 4.4Å; F1938-F1997 AromaticContact CE2-CE2 3.21Å; F1938-F1997 HydrophobicContact CE2-CE2 3.21Å; F1938-F1997 AromaticContact CE2-CZ 3.44Å; F1938-F1997 HydrophobicContact CE2-CZ 3.44Å; F1938-F1997 VanDerWaalsContact CE2-CZ 3.44Å; F1938-F1997 HydrophobicContact CG-CE2 4.39Å; F1938-F1997 AromaticContact CZ-CE2 3.54Å; F1938-F1997 HydrophobicContact CZ-CE2 3.54Å; F1938-F1997 HydrophobicContact CZ-CZ 4.23Å; F1938-I2009 HydrophobicContact CE2-CG2 4.43Å; F1938-L2011 HydrophobicContact CD2-CD1 4.34Å; F1938-L2011 HydrophobicContact CE1-CD1 3.34Å; F1938-L2011 HydrophobicContact CE2-CD1 3.75Å; F1938-L2011 HydrophobicContact CZ-CD1 3.55Å; F1938-F2021 HydrophobicContact CE2-CB 4.47Å; F1938-S2022 WeakPolarHBondContact CA-O 3.41Å; F1938-I2023 HydrophobicContact CB-CG1 4.26Å; F1938-I2023 HydrophobicContact CD2-CD1 4.48Å; F1938-I2023 HydrophobicContact CD2-CG1 3.89Å; F1938-I2023 HydrophobicContact CE1-CD1 4.5Å; F1938-I2023 HydrophobicContact CE1-CG1 4.01Å; F1938-I2023 HydrophobicContact CE2-CB 4.47Å; F1938-I2023 HydrophobicContact CE2-CD1 4.25Å; F1938-I2023 HydrophobicContact CE2-CG1 4.03Å; F1938-I2023 HydrophobicContact CE2-CG2 3.91Å; F1938-I2023 HydrophobicContact CZ-CB 4.36Å; F1938-I2023 HydrophobicContact CZ-CD1 3.69Å; F1938-I2023 HydrophobicContact CZ-CG1 3.5Å; F1938-I2023 VanDerWaalsContact CZ-CG1 3.5Å; F1938-I2023 HydrophobicContact CZ-CG2 4.23Å
1939	Q	38.8	Very low	32.5	Very low	72 Å²	72	88.5 Å²	88.5	34%	0.336	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.3	178.8	-155.7	176.8	-3.4	0	0	110.8	Y1926 N1941 I1963 F2021 S2022	Y1926-Q1939 HydrophobicContact CD1-CB 4.24Å; Y1926-Q1939 HydrophobicContact CD1-CG 3.96Å; Y1926-Q1939 HydrophobicContact CE1-CB 4.48Å; Y1926-Q1939 HydrophobicContact CE1-CG 3.75Å; Y1926-Q1939 HydrophobicContact CG-CG 4.46Å; Y1926-Q1939 PolarHBondContact OH-NE2 2.94Å; Y1926-Q1939 VanDerWaalsContact OH-NE2 3.12Å; Q1939-N1941 VanDerWaalsContact CG-OD1 3.32Å; Q1939-N1941 WeakPolarHBondContact CG-OD1 3.43Å; Q1939-N1941 PolarHBondContact NE2-ND2 3.2Å; Q1939-N1941 PolarHBondContact NE2-OD1 3.07Å; Q1939-I1963 PolarHBondContact O-N 2.71Å; Q1939-F2021 WeakPolarHBondContact O-CA 3.28Å; Q1939-F2021 WeakPolarHBondContact O-CD2 2.91Å; Q1939-S2022 WeakPolarHBondContact CB-OG 3.34Å; Q1939-S2022 PolarHBondContact N-O 3.26Å; Q1939-S2022 VanDerWaalsContact N-O 3.15Å; Q1939-S2022 PolarHBondContact O-N 3.09Å; Q1939-S2022 VanDerWaalsContact O-N 3.07Å; Q1939-S2022 VanDerWaalsContact O-O 3.05Å; Q1939-S2022 PolarHBondContact O-OG 3.19Å
1940	L	37	Very low	32.4	Very low	55.2 Å²	55.2	88.8 Å²	88.8	29%	0.289	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.1	172.4	-98.2	165.6	0	0	0	109	N1924 Y1925 F1938 T1943 I1960 F1962 F2019 Q2020 F2021	N1924-L1940 CarbonylContact C-O 3.51Å; N1924-L1940 VanDerWaalsContact CA-O 3.27Å; N1924-L1940 WeakPolarHBondContact CA-O 3.45Å; Y1925-L1940 HydrophobicContact CD1-CB 4.34Å; Y1925-L1940 PolarHBondContact N-O 3.36Å; Y1925-L1940 PolarHBondContact O-N 2.92Å; Y1925-L1940 VanDerWaalsContact O-O 3.1Å; F1938-L1940 HydrophobicContact CD1-CG 4.42Å; F1938-L1940 HydrophobicContact CE1-CD1 3.88Å; F1938-L1940 HydrophobicContact CE1-CD2 3.5Å; F1938-L1940 HydrophobicContact CE1-CG 3.62Å; F1938-L1940 HydrophobicContact CZ-CD1 3.93Å; F1938-L1940 HydrophobicContact CZ-CD2 4.05Å; F1938-L1940 HydrophobicContact CZ-CG 4.01Å; L1940-T1943 HydrophobicContact CD2-CG2 3.94Å; L1940-I1960 HydrophobicContact CD2-CG2 4.02Å; L1940-F1962 HydrophobicContact CD1-CE1 4.03Å; L1940-F1962 HydrophobicContact CD2-CD1 3.93Å; L1940-F1962 HydrophobicContact CD2-CE1 3.83Å; L1940-F1962 HydrophobicContact CD2-CG 4.44Å; L1940-F1962 HydrophobicContact CD2-CZ 4.25Å; L1940-F1962 HydrophobicContact CG-CD1 4.11Å; L1940-F1962 HydrophobicContact CG-CE1 4.05Å; L1940-F2019 HydrophobicContact CD2-CD2 3.34Å; L1940-F2019 HydrophobicContact CD2-CE1 4.28Å; L1940-F2019 HydrophobicContact CD2-CE2 3.62Å; L1940-F2019 HydrophobicContact CD2-CZ 3.35Å; L1940-Q2020 WeakPolarHBondContact CA-O 3.29Å; L1940-F2021 HydrophobicContact CB-CD2 4.01Å; L1940-F2021 HydrophobicContact CD1-CD2 4Å; L1940-F2021 HydrophobicContact CD2-CB 4.13Å; L1940-F2021 HydrophobicContact CG-CD2 4.25Å
1941	N	35.5	Very low	32.3	Very low	48 Å²	48	88.2 Å²	88.2	26%	0.257	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133	179.5	-70.1	-27.1	0	0	0	111	N1924 Y1926 Q1939 T1943 F2019 Q2020	N1924-N1941 WeakPolarHBondContact OD1-CA 2.96Å; Y1926-N1941 PolarHBondContact OH-OD1 2.76Å; Q1939-N1941 VanDerWaalsContact CG-OD1 3.32Å; Q1939-N1941 WeakPolarHBondContact CG-OD1 3.43Å; Q1939-N1941 PolarHBondContact NE2-ND2 3.2Å; Q1939-N1941 PolarHBondContact NE2-OD1 3.07Å; N1941-T1943 PolarHBondContact O-N 3.2Å; N1941-F2019 WeakPolarHBondContact O-CA 3.47Å; N1941-F2019 WeakPolarHBondContact O-CB 3.35Å; N1941-Q2020 PolarHBondContact N-O 3.07Å; N1941-Q2020 WeakPolarHBondContact O-CB 3.36Å
1942	N	32.9	Very low	32.2	Very low	102 Å²	102	89.1 Å²	89.1	55%	0.545	44%	0.44	S	S	.	.			trans	39.2	77.8	162.1	-75.3	-12.9	0	0	0	116.6	N1924 I1944 F2016 N2018	N1924-N1942 PolarHBondContact OD1-N 2.96Å; N1924-N1942 PolarHBondContact OD1-OD1 3.4Å; N1942-I1944 VanDerWaalsContact C-N 3.29Å; N1942-I1944 WeakPolarHBondContact O-CG1 3.4Å; N1942-I1944 PolarHBondContact O-N 2.99Å; N1942-F2016 WeakPolarHBondContact ND2-CE1 3.46Å; N1942-N2018 WeakPolarHBondContact CB-O 3.14Å
1943	T	32.5	Very low	31.9	Very low	37.4 Å²	37.4	91.5 Å²	91.5	23%	0.229	45%	0.447	C	S	.	.			trans	-96.2	109.7	157.8	47.8	0	0	0	0	110.5	Q1922 Y1923 L1940 N1941 I1945 I1960 F1962 F2016 N2017 N2018 F2019 Q2020	Q1922-T1943 CarbonylContact C-O 3.56Å; Q1922-T1943 WeakPolarHBondContact CA-O 3.38Å; Y1923-T1943 WeakPolarHBondContact CB-OG1 3.36Å; Y1923-T1943 PolarHBondContact N-O 2.87Å; Y1923-T1943 PolarHBondContact O-N 2.77Å; Y1923-T1943 PolarHBondContact O-OG1 3.04Å; Y1923-T1943 VanDerWaalsContact O-OG1 3.13Å; L1940-T1943 HydrophobicContact CD2-CG2 3.94Å; N1941-T1943 PolarHBondContact O-N 3.2Å; T1943-I1945 PolarHBondContact O-N 2.84Å; T1943-I1945 VanDerWaalsContact O-N 3.12Å; T1943-I1960 HydrophobicContact CG2-CG2 4.22Å; T1943-F1962 WeakPolarHBondContact OG1-CD2 3.37Å; T1943-F2016 HydrophobicContact CG2-CD1 4.03Å; T1943-F2016 HydrophobicContact CG2-CE1 3.74Å; T1943-N2017 PolarHBondContact OG1-O 3.28Å; T1943-N2018 HydrophobicContact CG2-CB 4.03Å; T1943-N2018 WeakPolarHBondContact CG2-O 3.22Å; T1943-F2019 HydrophobicContact CG2-CD2 3.7Å; T1943-F2019 HydrophobicContact CG2-CE2 4.25Å; T1943-Q2020 VanDerWaalsContact CG2-OE1 3.23Å; T1943-Q2020 VanDerWaalsContact OG1-CD 3.32Å; T1943-Q2020 PolarHBondContact OG1-OE1 3.11Å
1944	I	29.4	Very low	31.5	Very low	91.2 Å²	91.2	93.3 Å²	93.3	47%	0.468	45%	0.451	S	S	.	.			trans	-89.1	115.3	176.3	-56.8	173.5	0	0	0	108.7	V1920 N1921 Q1922 N1942 I1946 L1959	V1920-I1944 HydrophobicContact CG1-CG2 3.81Å; N1921-I1944 CarbonylContact O-C 3.46Å; N1921-I1944 WeakPolarHBondContact O-CA 3.48Å; Q1922-I1944 HydrophobicContact CG-CD1 4.47Å; Q1922-I1944 HydrophobicContact CG-CG1 3.92Å; Q1922-I1944 HydrophobicContact CG-CG2 4.3Å; N1942-I1944 VanDerWaalsContact C-N 3.29Å; N1942-I1944 WeakPolarHBondContact O-CG1 3.4Å; N1942-I1944 PolarHBondContact O-N 2.99Å; I1944-I1946 VanDerWaalsContact C-N 3.34Å; I1944-I1946 HydrophobicContact CG2-CD1 4.28Å; I1944-I1946 HydrophobicContact CG2-CG1 3.68Å; I1944-I1946 PolarHBondContact O-N 2.87Å; I1944-L1959 PolarHBondContact O-N 2.85Å
1945	I	30.8	Very low	31	Very low	74.4 Å²	74.4	96.6 Å²	96.6	38%	0.382	47%	0.47	S	S	.	.			trans	-97.1	106.8	172.7	-54.6	178.1	0	0	0	108.6	V1920 N1921 Y1923 T1943 Y1947 I1956 F1962	V1920-I1945 CarbonylContact C-O 3.44Å; V1920-I1945 WeakPolarHBondContact CA-O 3.32Å; N1921-I1945 HydrophobicContact CB-CB 4.49Å; N1921-I1945 PolarHBondContact N-O 3.1Å; N1921-I1945 PolarHBondContact O-N 2.91Å; Y1923-I1945 HydrophobicContact CE2-CD1 3.97Å; Y1923-I1945 HydrophobicContact CE2-CG1 4.49Å; T1943-I1945 PolarHBondContact O-N 2.84Å; T1943-I1945 VanDerWaalsContact O-N 3.12Å; I1945-Y1947 VanDerWaalsContact C-N 3.31Å; I1945-Y1947 HydrophobicContact CB-CE2 4.31Å; I1945-Y1947 HydrophobicContact CG2-CD2 4.24Å; I1945-Y1947 HydrophobicContact CG2-CE2 3.77Å; I1945-Y1947 PolarHBondContact O-N 3.27Å; I1945-I1956 HydrophobicContact CG2-CG2 4.1Å; I1945-F1962 HydrophobicContact CD1-CE2 3.95Å
1946	I	28.2	Very low	30.4	Very low	101.8 Å²	101.8	98.6 Å²	98.6	52%	0.522	48%	0.482	S	S	.	.			trans	-96.1	110.1	172.4	-52.2	-178.8	0	0	0	108.8	V1920 I1944 I1948 R1957	V1920-I1946 HydrophobicContact CG1-CG1 4.23Å; V1920-I1946 HydrophobicContact CG2-CD1 4.49Å; V1920-I1946 HydrophobicContact CG2-CG1 4.26Å; V1920-I1946 HydrophobicContact CG2-CG2 4.29Å; I1944-I1946 VanDerWaalsContact C-N 3.34Å; I1944-I1946 HydrophobicContact CG2-CD1 4.28Å; I1944-I1946 HydrophobicContact CG2-CG1 3.68Å; I1944-I1946 PolarHBondContact O-N 2.87Å; I1946-I1948 VanDerWaalsContact C-N 3.31Å; I1946-I1948 HydrophobicContact CG2-CD1 4.06Å; I1946-I1948 HydrophobicContact CG2-CG1 3.77Å; I1946-I1948 PolarHBondContact O-N 2.79Å; I1946-I1948 VanDerWaalsContact O-N 3.11Å; I1946-R1957 HydrophobicContact CB-CB 4.43Å; I1946-R1957 HydrophobicContact CG2-CG 4.31Å; I1946-R1957 PolarHBondContact N-O 2.95Å; I1946-R1957 PolarHBondContact O-N 2.89Å
1947	Y	28.2	Very low	29.8	Very low	126.8 Å²	126.8	104.9 Å²	104.9	50%	0.497	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	107.2	171	-109.3	-93.6	0	0	0	109.7	Y1918 S1919 I1945 K1949 I1956 N1958	Y1918-Y1947 CarbonylContact C-O 3.43Å; Y1918-Y1947 WeakPolarHBondContact CA-O 3.43Å; Y1918-Y1947 WeakPolarHBondContact CB-O 3.24Å; S1919-Y1947 PolarHBondContact N-O 2.83Å; S1919-Y1947 VanDerWaalsContact N-O 3.08Å; S1919-Y1947 PolarHBondContact O-N 2.9Å; I1945-Y1947 VanDerWaalsContact C-N 3.31Å; I1945-Y1947 HydrophobicContact CB-CE2 4.31Å; I1945-Y1947 HydrophobicContact CG2-CD2 4.24Å; I1945-Y1947 HydrophobicContact CG2-CE2 3.77Å; I1945-Y1947 PolarHBondContact O-N 3.27Å; Y1947-K1949 HydrophobicContact CD1-CB 3.98Å; Y1947-K1949 HydrophobicContact CE1-CB 3.81Å; Y1947-K1949 HydrophobicContact CE1-CD 3.66Å; Y1947-K1949 HydrophobicContact CE1-CG 4.36Å; Y1947-K1949 PolarHBondContact O-N 3.3Å; Y1947-K1949 VanDerWaalsContact O-N 3.15Å; Y1947-I1956 HydrophobicContact CD1-CD1 4.24Å; Y1947-I1956 HydrophobicContact CD1-CG1 4Å; Y1947-I1956 HydrophobicContact CE1-CD1 3.76Å; Y1947-I1956 HydrophobicContact CE1-CG1 3.93Å; Y1947-I1956 HydrophobicContact CE1-CG2 4.11Å; Y1947-N1958 PolarHBondContact OH-ND2 3.27Å; Y1947-N1958 PolarHBondContact OH-OD1 2.9Å
1948	I	29.1	Very low	29.1	Very low	109 Å²	109	107.4 Å²	107.4	56%	0.559	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.4	170.6	-63.6	165	0	0	0	108.8	I1946 Q1950 M1955	I1946-I1948 VanDerWaalsContact C-N 3.31Å; I1946-I1948 HydrophobicContact CG2-CD1 4.06Å; I1946-I1948 HydrophobicContact CG2-CG1 3.77Å; I1946-I1948 PolarHBondContact O-N 2.79Å; I1946-I1948 VanDerWaalsContact O-N 3.11Å; I1948-Q1950 HydrophobicContact CG2-CG 4.34Å; I1948-Q1950 PolarHBondContact O-N 2.76Å; I1948-M1955 HydrophobicContact CD1-CE 4.41Å; I1948-M1955 HydrophobicContact CG2-CE 3.81Å; I1948-M1955 HydrophobicContact CG2-SD 4.03Å; I1948-M1955 VanDerWaalsContact CG2-SD 3.58Å; I1948-M1955 PolarHBondContact N-O 3.02Å
1949	K	28.2	Very low	28.5	Very low	143.2 Å²	143.2	110.2 Å²	110.2	62%	0.623	53%	0.533	S	S	*	.			trans	-98.7	102.6	175.7	-146.7	173.4	-180	177.6	0	111.8	N1917 Y1947 I1951 Y1954	N1917-K1949 WeakPolarHBondContact O-CB 3.05Å; N1917-K1949 PolarHBondContact O-N 2.9Å; Y1947-K1949 HydrophobicContact CD1-CB 3.98Å; Y1947-K1949 HydrophobicContact CE1-CB 3.81Å; Y1947-K1949 HydrophobicContact CE1-CD 3.66Å; Y1947-K1949 HydrophobicContact CE1-CG 4.36Å; Y1947-K1949 PolarHBondContact O-N 3.3Å; Y1947-K1949 VanDerWaalsContact O-N 3.15Å; K1949-I1951 HydrophobicContact CB-CG1 4.46Å; K1949-I1951 HydrophobicContact CD-CD1 4.22Å; K1949-I1951 HydrophobicContact CG-CD1 4.12Å; K1949-I1951 HydrophobicContact CG-CG1 3.96Å; K1949-I1951 PolarHBondContact O-N 2.94Å; K1949-Y1954 HydrophobicContact CG-CE1 4.33Å
1950	Q	26.4	Very low	27.8	Very low	162 Å²	162	111.7 Å²	111.7	76%	0.757	54%	0.542	S	S	*	.			trans	-70.2	129.9	169.5	-114.3	179	-10.7	0	0	111.2	I1948 N1952 N1953	I1948-Q1950 HydrophobicContact CG2-CG 4.34Å; I1948-Q1950 PolarHBondContact O-N 2.76Å; Q1950-N1952 PolarHBondContact O-N 2.8Å; Q1950-N1953 PolarHBondContact O-N 3.43Å
1951	I	28.3	Very low	27.2	Very low	138.6 Å²	138.6	114.8 Å²	114.8	71%	0.711	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	106	175	-67.5	168.5	0	0	0	109.4	K1949 N1953 Y1954	K1949-I1951 HydrophobicContact CB-CG1 4.46Å; K1949-I1951 HydrophobicContact CD-CD1 4.22Å; K1949-I1951 HydrophobicContact CG-CD1 4.12Å; K1949-I1951 HydrophobicContact CG-CG1 3.96Å; K1949-I1951 PolarHBondContact O-N 2.94Å; I1951-N1953 PolarHBondContact O-N 2.79Å; I1951-Y1954 PolarHBondContact O-N 2.89Å
1952	N	26	Very low	26.7	Very low	126.8 Å²	126.8	119.1 Å²	119.1	68%	0.678	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.7	80.1	171.6	-67.9	-22.1	0	0	0	116.3	Q1950 Y1954 Q1984 I2265	Q1950-N1952 PolarHBondContact O-N 2.8Å; N1952-Y1954 VanDerWaalsContact C-N 3.27Å; N1952-Y1954 VanDerWaalsContact O-CD2 3.25Å; N1952-Y1954 WeakPolarHBondContact O-CD2 3.3Å; N1952-Y1954 PolarHBondContact O-N 3.24Å; N1952-Y1954 VanDerWaalsContact O-N 3.1Å; N1952-Q1984 PolarHBondContact OD1-NE2 2.65Å; N1952-I2265 HydrophobicContact CB-CD1 4.25Å; N1952-I2265 VanDerWaalsContact ND2-CD1 3.33Å; N1952-I2265 WeakPolarHBondContact ND2-CD1 3.35Å
1953	N	24.6	Very low	26.2	Very low	124 Å²	124	119 Å²	119	66%	0.663	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.6	63.9	161.9	-71.3	-16.8	0	0	0	117.3	Q1950 I1951 K1981 Q1982	Q1950-N1953 PolarHBondContact O-N 3.43Å; I1951-N1953 PolarHBondContact O-N 2.79Å; N1953-K1981 WeakPolarHBondContact OD1-CA 3.07Å; N1953-K1981 VanDerWaalsContact OD1-CB 3.26Å; N1953-K1981 WeakPolarHBondContact OD1-CB 3.43Å; N1953-Q1982 PolarHBondContact OD1-N 2.77Å
1954	Y	23.8	Very low	25.9	Very low	172.2 Å²	172.2	121.3 Å²	121.3	68%	0.675	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.8	123.4	158.8	-77.1	-75.7	0	0	0	111.6	K1949 I1951 N1952 I1956 D2261 N2262	K1949-Y1954 HydrophobicContact CG-CE1 4.33Å; I1951-Y1954 PolarHBondContact O-N 2.89Å; N1952-Y1954 VanDerWaalsContact C-N 3.27Å; N1952-Y1954 VanDerWaalsContact O-CD2 3.25Å; N1952-Y1954 WeakPolarHBondContact O-CD2 3.3Å; N1952-Y1954 PolarHBondContact O-N 3.24Å; N1952-Y1954 VanDerWaalsContact O-N 3.1Å; Y1954-I1956 PolarHBondContact O-N 3.32Å; Y1954-D2261 PolarHBondContact OH-O 3.38Å; Y1954-N2262 WeakPolarHBondContact OH-CA 3.49Å; Y1954-N2262 PolarHBondContact OH-N 2.98Å
1955	M	23	Very low	25.7	Very low	138 Å²	138	120.8 Å²	120.8	68%	0.68	59%	0.592	S	S	*	*			trans	-85	115.9	167	-83.3	-99.2	-94.9	0	0	109.3	I1948 R1957	I1948-M1955 HydrophobicContact CD1-CE 4.41Å; I1948-M1955 HydrophobicContact CG2-CE 3.81Å; I1948-M1955 HydrophobicContact CG2-SD 4.03Å; I1948-M1955 VanDerWaalsContact CG2-SD 3.58Å; I1948-M1955 PolarHBondContact N-O 3.02Å; M1955-R1957 PolarHBondContact O-N 2.89Å
1956	I	24.8	Very low	25.5	Very low	106.2 Å²	106.2	125.1 Å²	125.1	55%	0.545	61%	0.61	S	S	.	*			trans	-98.1	105.6	170.9	-59.9	175.2	0	0	0	107.6	I1945 Y1947 Y1954 N1958	I1945-I1956 HydrophobicContact CG2-CG2 4.1Å; Y1947-I1956 HydrophobicContact CD1-CD1 4.24Å; Y1947-I1956 HydrophobicContact CD1-CG1 4Å; Y1947-I1956 HydrophobicContact CE1-CD1 3.76Å; Y1947-I1956 HydrophobicContact CE1-CG1 3.93Å; Y1947-I1956 HydrophobicContact CE1-CG2 4.11Å; Y1954-I1956 PolarHBondContact O-N 3.32Å; I1956-N1958 WeakPolarHBondContact CG2-OD1 3.39Å; I1956-N1958 PolarHBondContact O-N 3.07Å
1957	R	23	Very low	25.5	Very low	173.8 Å²	173.8	126 Å²	126	66%	0.656	62%	0.616	S	S	*	*			trans	-87.6	109.6	168.2	-91.4	179.8	167.2	177.7	-4.3	108.6	I1946 M1955 L1959 E1977	I1946-R1957 HydrophobicContact CB-CB 4.43Å; I1946-R1957 HydrophobicContact CG2-CG 4.31Å; I1946-R1957 PolarHBondContact N-O 2.95Å; I1946-R1957 PolarHBondContact O-N 2.89Å; M1955-R1957 PolarHBondContact O-N 2.89Å; R1957-L1959 PolarHBondContact O-N 2.93Å; R1957-E1977 IonicContact CZ-OE1 2.65Å; R1957-E1977 IonicContact NE-OE1 3.2Å; R1957-E1977 PolarHBondContact NE-OE1 2.83Å; R1957-E1977 IonicContact NH2-OE1 2.65Å; R1957-E1977 PolarHBondContact NH2-OE1 2.74Å; R1957-E1977 IonicContact NH2-OE2 2.85Å; R1957-E1977 PolarHBondContact NH2-OE2 3.5Å
1958	N	24.1	Very low	25.4	Very low	103.8 Å²	103.8	126.1 Å²	126.1	56%	0.555	62%	0.621	S	S	*	*			trans	-93.9	120.1	165.5	-74.9	-8.6	0	0	0	108.6	Y1947 I1956	Y1947-N1958 PolarHBondContact OH-ND2 3.27Å; Y1947-N1958 PolarHBondContact OH-OD1 2.9Å; I1956-N1958 WeakPolarHBondContact CG2-OD1 3.39Å; I1956-N1958 PolarHBondContact O-N 3.07Å
1959	L	23.5	Very low	25.3	Very low	107.6 Å²	107.6	124.7 Å²	124.7	56%	0.563	62%	0.618	S	S	*	*			trans	-113.7	120.5	174.6	-157.7	153.1	0	0	0	107.2	I1944 R1957 E1961	I1944-L1959 PolarHBondContact O-N 2.85Å; R1957-L1959 PolarHBondContact O-N 2.93Å; L1959-E1961 HydrophobicContact CD2-CB 4.34Å; L1959-E1961 HydrophobicContact CD2-CG 3.9Å
1960	I	25.1	Very low	25.1	Very low	104.6 Å²	104.6	122.4 Å²	122.4	54%	0.536	61%	0.612	S	S	.	*			trans	-120.6	105.8	179.2	-55.9	176.4	0	0	0	107.2	L1940 T1943 F1962	L1940-I1960 HydrophobicContact CD2-CG2 4.02Å; T1943-I1960 HydrophobicContact CG2-CG2 4.22Å; I1960-F1962 HydrophobicContact CB-CE2 4.36Å; I1960-F1962 HydrophobicContact CG2-CD2 4.17Å; I1960-F1962 HydrophobicContact CG2-CE1 4.42Å; I1960-F1962 HydrophobicContact CG2-CE2 3.77Å; I1960-F1962 HydrophobicContact CG2-CZ 4.05Å
1961	E	22.6	Very low	25	Very low	120.2 Å²	120.2	122.4 Å²	122.4	56%	0.562	61%	0.606	S	S	*	*			trans	-92.2	126.6	170.4	-86.2	176.9	162.7	0	0	109.8	L1959 I1963 I2009	L1959-E1961 HydrophobicContact CD2-CB 4.34Å; L1959-E1961 HydrophobicContact CD2-CG 3.9Å; E1961-I1963 HydrophobicContact CB-CG1 4.24Å; E1961-I1963 PolarHBondContact O-N 3.16Å; E1961-I2009 WeakPolarHBondContact OE2-CD1 3.45Å
1962	F	25.5	Very low	24.9	Very low	137.2 Å²	137.2	122.6 Å²	122.6	60%	0.602	60%	0.599	S	S	*	*			trans	-98.7	112.6	167.2	-76.8	-85.3	0	0	0	109	L1940 T1943 I1945 I1960 S1964	L1940-F1962 HydrophobicContact CD1-CE1 4.03Å; L1940-F1962 HydrophobicContact CD2-CD1 3.93Å; L1940-F1962 HydrophobicContact CD2-CE1 3.83Å; L1940-F1962 HydrophobicContact CD2-CG 4.44Å; L1940-F1962 HydrophobicContact CD2-CZ 4.25Å; L1940-F1962 HydrophobicContact CG-CD1 4.11Å; L1940-F1962 HydrophobicContact CG-CE1 4.05Å; T1943-F1962 WeakPolarHBondContact OG1-CD2 3.37Å; I1945-F1962 HydrophobicContact CD1-CE2 3.95Å; I1960-F1962 HydrophobicContact CB-CE2 4.36Å; I1960-F1962 HydrophobicContact CG2-CD2 4.17Å; I1960-F1962 HydrophobicContact CG2-CE1 4.42Å; I1960-F1962 HydrophobicContact CG2-CE2 3.77Å; I1960-F1962 HydrophobicContact CG2-CZ 4.05Å; F1962-S1964 PolarHBondContact O-N 2.84Å
1963	I	23.5	Very low	24.8	Very low	100.6 Å²	100.6	121.6 Å²	121.6	52%	0.516	59%	0.593	S	S	.	*			trans	-103.1	112.2	175.8	-55.6	174.8	0	0	0	108.7	Q1939 E1961 C1965 Y1971	Q1939-I1963 PolarHBondContact O-N 2.71Å; E1961-I1963 HydrophobicContact CB-CG1 4.24Å; E1961-I1963 PolarHBondContact O-N 3.16Å; I1963-C1965 PolarHBondContact O-N 2.81Å; I1963-Y1971 HydrophobicContact CG2-CD1 4.18Å; I1963-Y1971 HydrophobicContact CG2-CE1 4.09Å
1964	S	25.3	Very low	24.9	Very low	84.8 Å²	84.8	121.4 Å²	121.4	59%	0.593	58%	0.583	S	S	*	*			trans	-72.8	112.4	172.2	57.3	0	0	0	0	113.7	F1962 Q1966 Y1974	F1962-S1964 PolarHBondContact O-N 2.84Å; S1964-Q1966 VanDerWaalsContact C-N 3.31Å; S1964-Q1966 PolarHBondContact O-N 3.01Å; S1964-Y1974 PolarHBondContact OG-OH 3.21Å
1965	C	25.7	Very low	24.9	Very low	81.8 Å²	81.8	116.3 Å²	116.3	55%	0.553	57%	0.573	S	S	*	*			trans	-92.2	105.4	173.3	-66	0	0	0	0	110.8	I1963	I1963-C1965 PolarHBondContact O-N 2.81Å
1966	Q	25.6	Very low	25	Very low	165 Å²	165	114.3 Å²	114.3	77%	0.771	56%	0.563	S	S	*	*			trans	-98.6	132.1	154.9	-83.6	-171.3	-19.4	0	0	110	D1897 S1964 Q1968	D1897-Q1966 PolarHBondContact OD2-NE2 3.07Å; S1964-Q1966 VanDerWaalsContact C-N 3.31Å; S1964-Q1966 PolarHBondContact O-N 3.01Å; Q1966-Q1968 PolarHBondContact O-N 3.17Å; Q1966-Q1968 VanDerWaalsContact O-N 3.1Å
1967	N	28.3	Very low	25	Very low	120.2 Å²	120.2	115.3 Å²	115.3	64%	0.643	57%	0.565	S	S	*	*			trans	-70.3	115.6	-177.6	-77.3	-34.6	0	0	0	111.8	T1969	N1967-T1969 HydrophobicContact CB-CG2 4.29Å; N1967-T1969 PolarHBondContact O-N 3.26Å
1968	Q	26.1	Very low	25.1	Very low	129.2 Å²	129.2	113.7 Å²	113.7	60%	0.604	56%	0.561	S	S	*	*			trans	-78.3	108.4	152.7	-69.2	-174.7	-18.5	0	0	110.7	I1245 S1848 Q1966 N1970	I1245-Q1968 PolarHBondContact O-NE2 2.79Å; I1245-Q1968 PolarHBondContact O-OE1 2.8Å; S1848-Q1968 WeakPolarHBondContact CB-O 3.3Å; S1848-Q1968 PolarHBondContact OG-O 2.88Å; Q1966-Q1968 PolarHBondContact O-N 3.17Å; Q1966-Q1968 VanDerWaalsContact O-N 3.1Å; Q1968-N1970 PolarHBondContact O-N 3.02Å
1969	T	27	Very low	25.1	Very low	79.4 Å²	79.4	113.2 Å²	113.2	49%	0.487	57%	0.565	S	S	.	*			trans	-85.4	110.3	158.9	45.1	0	0	0	0	113.8	Y1934 N1967 Y1974	Y1934-T1969 VanDerWaalsContact O-CB 3.32Å; Y1934-T1969 WeakPolarHBondContact O-CB 3.44Å; Y1934-T1969 WeakPolarHBondContact O-CG2 3.4Å; Y1934-T1969 PolarHBondContact O-OG1 3.27Å; N1967-T1969 HydrophobicContact CB-CG2 4.29Å; N1967-T1969 PolarHBondContact O-N 3.26Å; T1969-Y1974 HydrophobicContact CG2-CE2 4.01Å
1970	N	24.7	Very low	25.2	Very low	94 Å²	94	115.7 Å²	115.7	50%	0.503	57%	0.568	S	S	.	*			trans	-140.1	129.9	156.9	-82.2	-27.1	0	0	0	110.3	Q1968 Y1972 N2003	Q1968-N1970 PolarHBondContact O-N 3.02Å; N1970-Y1972 HydrophobicContact CB-CD2 4.34Å; N1970-Y1972 HydrophobicContact CB-CE2 4Å; N1970-Y1972 VanDerWaalsContact O-CD2 3.27Å; N1970-Y1972 WeakPolarHBondContact O-CD2 3.23Å; N1970-Y1972 PolarHBondContact O-N 2.92Å; N1970-Y1972 VanDerWaalsContact O-N 3.09Å; N1970-N2003 PolarHBondContact ND2-OD1 3.01Å; N1970-N2003 VanDerWaalsContact ND2-OD1 3.11Å; N1970-N2003 PolarHBondContact OD1-OD1 3.23Å
1971	Y	24.9	Very low	25.1	Very low	163.2 Å²	163.2	119 Å²	119	64%	0.64	58%	0.579	S	S	*	*			trans	-58	124.4	175	-82.3	-102	0	0	0	112.1	F1933 Y1934 I1963 T2000	F1933-Y1971 VanDerWaalsContact N-CE2 3.29Å; F1933-Y1971 PolarHBondContact N-OH 2.83Å; Y1934-Y1971 PolarHBondContact N-OH 2.77Å; Y1934-Y1971 VanDerWaalsContact O-CE2 3.31Å; Y1934-Y1971 WeakPolarHBondContact O-CE2 3.32Å; I1963-Y1971 HydrophobicContact CG2-CD1 4.18Å; I1963-Y1971 HydrophobicContact CG2-CE1 4.09Å; Y1971-T2000 HydrophobicContact CE1-CG2 4.15Å; Y1971-T2000 WeakPolarHBondContact OH-CB 3.18Å
1972	Y	26	Very low	25.2	Very low	142 Å²	142	120.2 Å²	120.2	56%	0.557	58%	0.584	S	S	*	*			trans	-122.1	113.9	164	-79	-79.4	0	0	0	110	Y1926 N1928 N1970 Y1974	Y1926-Y1972 HydrophobicContact CD1-CD1 4.38Å; Y1926-Y1972 HydrophobicContact CD1-CE1 4.43Å; Y1926-Y1972 AromaticContact CD2-CD1 4Å; Y1926-Y1972 HydrophobicContact CD2-CD1 4Å; Y1926-Y1972 AromaticContact CD2-CE1 3.99Å; Y1926-Y1972 HydrophobicContact CD2-CE1 3.99Å; Y1926-Y1972 HydrophobicContact CE2-CD1 4.38Å; Y1926-Y1972 HydrophobicContact CG-CD1 4.02Å; Y1926-Y1972 AromaticContact CG-CE1 3.8Å; Y1926-Y1972 HydrophobicContact CG-CE1 3.8Å; N1928-Y1972 PolarHBondContact OD1-OH 2.91Å; N1970-Y1972 HydrophobicContact CB-CD2 4.34Å; N1970-Y1972 HydrophobicContact CB-CE2 4Å; N1970-Y1972 VanDerWaalsContact O-CD2 3.27Å; N1970-Y1972 WeakPolarHBondContact O-CD2 3.23Å; N1970-Y1972 PolarHBondContact O-N 2.92Å; N1970-Y1972 VanDerWaalsContact O-N 3.09Å; Y1972-Y1974 VanDerWaalsContact C-N 3.33Å; Y1972-Y1974 VanDerWaalsContact CB-CD2 3.43Å; Y1972-Y1974 HydrophobicContact CD1-CE2 4.22Å; Y1972-Y1974 HydrophobicContact CD2-CE2 4.01Å; Y1972-Y1974 HydrophobicContact CG-CD2 4.19Å; Y1972-Y1974 AromaticContact CG-CE2 3.6Å; Y1972-Y1974 HydrophobicContact CG-CE2 3.6Å; Y1972-Y1974 AromaticContact CG-CZ 3.95Å; Y1972-Y1974 PolarHBondContact O-N 2.96Å; Y1972-Y1974 VanDerWaalsContact O-N 3.08Å
1973	I	24	Very low	25.2	Very low	106.2 Å²	106.2	124.4 Å²	124.4	55%	0.545	60%	0.596	S	S	.	*			trans	-81.5	108.4	167.5	-59.7	167.3	0	0	0	106.8	Y1926 S1975 Y1998 N1999	Y1926-I1973 WeakPolarHBondContact OH-CB 3.35Å; Y1926-I1973 PolarHBondContact OH-O 2.93Å; I1973-S1975 PolarHBondContact O-N 2.83Å; I1973-S1975 VanDerWaalsContact O-N 3.13Å; I1973-Y1998 HydrophobicContact CB-CE1 4.4Å; I1973-Y1998 HydrophobicContact CG1-CD1 3.99Å; I1973-Y1998 HydrophobicContact CG1-CE1 3.99Å; I1973-Y1998 HydrophobicContact CG2-CE1 4.07Å; I1973-N1999 WeakPolarHBondContact CB-ND2 3.12Å; I1973-N1999 WeakPolarHBondContact CG2-ND2 3.29Å
1974	Y	26.3	Very low	25.2	Very low	118.8 Å²	118.8	127.5 Å²	127.5	47%	0.466	61%	0.608	S	S	.	*			trans	-90.7	88.5	174.6	-79.5	-80.3	0	0	0	110.3	I1850 W1872 S1964 T1969 Y1972 M1976 Y1995 H1996 F1997	I1850-Y1974 HydrophobicContact CD1-CE1 4.16Å; W1872-Y1974 HydrophobicContact CH2-CE1 4.46Å; W1872-Y1974 HydrophobicContact CZ3-CE1 4.22Å; S1964-Y1974 PolarHBondContact OG-OH 3.21Å; T1969-Y1974 HydrophobicContact CG2-CE2 4.01Å; Y1972-Y1974 VanDerWaalsContact C-N 3.33Å; Y1972-Y1974 VanDerWaalsContact CB-CD2 3.43Å; Y1972-Y1974 HydrophobicContact CD1-CE2 4.22Å; Y1972-Y1974 HydrophobicContact CD2-CE2 4.01Å; Y1972-Y1974 HydrophobicContact CG-CD2 4.19Å; Y1972-Y1974 AromaticContact CG-CE2 3.6Å; Y1972-Y1974 HydrophobicContact CG-CE2 3.6Å; Y1972-Y1974 AromaticContact CG-CZ 3.95Å; Y1972-Y1974 PolarHBondContact O-N 2.96Å; Y1972-Y1974 VanDerWaalsContact O-N 3.08Å; Y1974-M1976 VanDerWaalsContact C-N 3.33Å; Y1974-M1976 HydrophobicContact CD1-CG 3.84Å; Y1974-M1976 HydrophobicContact CD1-SD 4.32Å; Y1974-M1976 PolarHBondContact O-N 3.1Å; Y1974-M1976 VanDerWaalsContact O-N 3.08Å; Y1974-Y1995 VanDerWaalsContact O-O 3.05Å; Y1974-H1996 WeakPolarHBondContact O-CA 3.4Å; Y1974-H1996 PolarHBondContact O-ND1 3.41Å; Y1974-F1997 HydrophobicContact CD1-CE1 4.31Å
1975	S	24.6	Very low	25.2	Very low	66.4 Å²	66.4	134.4 Å²	134.4	46%	0.464	62%	0.621	S	S	.	*			trans	-86.1	98.9	165.8	56.2	0	0	0	0	110.4	Q1922 N1924 I1973 E1977 H1996 N1999	Q1922-S1975 PolarHBondContact NE2-OG 2.89Å; Q1922-S1975 PolarHBondContact OE1-OG 2.98Å; N1924-S1975 PolarHBondContact ND2-O 3.36Å; N1924-S1975 PolarHBondContact ND2-OG 3.07Å; N1924-S1975 PolarHBondContact OD1-OG 3.27Å; I1973-S1975 PolarHBondContact O-N 2.83Å; I1973-S1975 VanDerWaalsContact O-N 3.13Å; S1975-E1977 PolarHBondContact O-N 3.11Å; S1975-E1977 VanDerWaalsContact O-N 3.08Å; S1975-H1996 WeakPolarHBondContact CA-ND1 3.33Å; S1975-H1996 WeakPolarHBondContact CB-CE1 3.37Å; S1975-H1996 WeakPolarHBondContact CB-ND1 3.49Å; S1975-N1999 WeakPolarHBondContact CB-ND2 3.27Å; S1975-N1999 PolarHBondContact OG-ND2 3.21Å
1976	M	25	Very low	25.1	Very low	94.8 Å²	94.8	139 Å²	139	47%	0.467	64%	0.635	S	S	.	*			trans	-96.2	94.1	170	-78.8	-80.3	-78.2	0	0	109.5	Y1974 Y1978 S1994 Y1995 F1997	Y1974-M1976 VanDerWaalsContact C-N 3.33Å; Y1974-M1976 HydrophobicContact CD1-CG 3.84Å; Y1974-M1976 HydrophobicContact CD1-SD 4.32Å; Y1974-M1976 PolarHBondContact O-N 3.1Å; Y1974-M1976 VanDerWaalsContact O-N 3.08Å; M1976-Y1978 VanDerWaalsContact C-N 3.31Å; M1976-Y1978 HydrophobicContact CE-CD2 4.2Å; M1976-Y1978 HydrophobicContact CE-CE2 3.6Å; M1976-Y1978 VanDerWaalsContact CE-CE2 3.46Å; M1976-Y1978 PolarHBondContact O-N 2.87Å; M1976-S1994 WeakPolarHBondContact O-CA 3.1Å; M1976-S1994 VanDerWaalsContact O-CB 3.27Å; M1976-S1994 WeakPolarHBondContact O-CB 3.15Å; M1976-Y1995 HydrophobicContact CB-CE1 4.13Å; M1976-Y1995 HydrophobicContact CE-CD1 4.01Å; M1976-Y1995 HydrophobicContact CE-CE1 4.12Å; M1976-Y1995 HydrophobicContact CG-CE1 4.5Å; M1976-F1997 HydrophobicContact CE-CE2 4.25Å; M1976-F1997 HydrophobicContact CE-CZ 4.18Å; M1976-F1997 HydrophobicContact CG-CZ 4.28Å; M1976-F1997 HydrophobicContact SD-CE2 4.09Å; M1976-F1997 HydrophobicContact SD-CZ 3.95Å
1977	E	23.7	Very low	25	Very low	127 Å²	127	139.6 Å²	139.6	59%	0.593	64%	0.638	S	S	*	*			trans	-78.8	111.5	166.6	-77.5	-163.6	140.7	0	0	110	R1957 S1975 S1979 H1996 F1997	R1957-E1977 IonicContact CZ-OE1 2.65Å; R1957-E1977 IonicContact NE-OE1 3.2Å; R1957-E1977 PolarHBondContact NE-OE1 2.83Å; R1957-E1977 IonicContact NH2-OE1 2.65Å; R1957-E1977 PolarHBondContact NH2-OE1 2.74Å; R1957-E1977 IonicContact NH2-OE2 2.85Å; R1957-E1977 PolarHBondContact NH2-OE2 3.5Å; S1975-E1977 PolarHBondContact O-N 3.11Å; S1975-E1977 VanDerWaalsContact O-N 3.08Å; E1977-S1979 VanDerWaalsContact C-N 3.29Å; E1977-S1979 PolarHBondContact O-N 3.47Å; E1977-H1996 IonicContact OE2-ND1 2.74Å; E1977-F1997 PolarHBondContact OE1-N 3.33Å; E1977-F1997 VanDerWaalsContact OE1-N 3.13Å
1978	Y	26	Very low	24.8	Very low	141 Å²	141	142.6 Å²	142.6	55%	0.553	65%	0.648	S	S	*	*			trans	-97	104.1	170.8	-126.6	-83.6	0	0	0	109.8	M1976 Y1980 I1993 Y1995	M1976-Y1978 VanDerWaalsContact C-N 3.31Å; M1976-Y1978 HydrophobicContact CE-CD2 4.2Å; M1976-Y1978 HydrophobicContact CE-CE2 3.6Å; M1976-Y1978 VanDerWaalsContact CE-CE2 3.46Å; M1976-Y1978 PolarHBondContact O-N 2.87Å; Y1978-Y1980 AromaticContact CD1-CD2 3.92Å; Y1978-Y1980 HydrophobicContact CD1-CD2 3.92Å; Y1978-Y1980 HydrophobicContact CD1-CE2 4.49Å; Y1978-Y1980 AromaticContact CE1-CD2 3.74Å; Y1978-Y1980 HydrophobicContact CE1-CD2 3.74Å; Y1978-Y1980 AromaticContact CE1-CE2 3.9Å; Y1978-Y1980 HydrophobicContact CE1-CE2 3.9Å; Y1978-Y1980 PolarHBondContact O-N 3.02Å; Y1978-I1993 HydrophobicContact CE1-CD1 4.34Å; Y1978-I1993 HydrophobicContact CE2-CG2 4.1Å; Y1978-I1993 PolarHBondContact N-O 3.13Å; Y1978-I1993 WeakPolarHBondContact OH-CD1 3.34Å; Y1978-Y1995 HydrophobicContact CE2-CE1 4.18Å; Y1978-Y1995 PolarHBondContact OH-OH 2.98Å
1979	S	24.4	Very low	24.7	Very low	92.6 Å²	92.6	145.4 Å²	145.4	65%	0.648	66%	0.661	S	S	*	*			trans	-99.6	110.1	175.1	55.3	0	0	0	0	111.1	E1977 K1981	E1977-S1979 VanDerWaalsContact C-N 3.29Å; E1977-S1979 PolarHBondContact O-N 3.47Å; S1979-K1981 PolarHBondContact O-N 2.98Å
1980	Y	25.2	Very low	24.6	Very low	160.6 Å²	160.6	146.6 Å²	146.6	63%	0.63	67%	0.672	S	S	*	*			trans	-87.7	112.2	177.1	-146.2	-94.6	0	0	0	110.3	Y1978 Q1982	Y1978-Y1980 AromaticContact CD1-CD2 3.92Å; Y1978-Y1980 HydrophobicContact CD1-CD2 3.92Å; Y1978-Y1980 HydrophobicContact CD1-CE2 4.49Å; Y1978-Y1980 AromaticContact CE1-CD2 3.74Å; Y1978-Y1980 HydrophobicContact CE1-CD2 3.74Å; Y1978-Y1980 AromaticContact CE1-CE2 3.9Å; Y1978-Y1980 HydrophobicContact CE1-CE2 3.9Å; Y1978-Y1980 PolarHBondContact O-N 3.02Å; Y1980-Q1982 HydrophobicContact CD1-CB 4.27Å; Y1980-Q1982 HydrophobicContact CD1-CG 4.28Å; Y1980-Q1982 HydrophobicContact CE1-CB 4.14Å; Y1980-Q1982 HydrophobicContact CE1-CG 4.15Å; Y1980-Q1982 PolarHBondContact O-N 2.96Å; Y1980-Q1982 VanDerWaalsContact O-N 3.09Å
1981	K	23.7	Very low	24.7	Very low	174.4 Å²	174.4	149.3 Å²	149.3	76%	0.758	69%	0.687	S	S	*	*			trans	-96.6	97.3	172	-88.5	-177.8	177.5	168.8	0	110.3	N1953 S1979 R1983	N1953-K1981 WeakPolarHBondContact OD1-CA 3.07Å; N1953-K1981 VanDerWaalsContact OD1-CB 3.26Å; N1953-K1981 WeakPolarHBondContact OD1-CB 3.43Å; S1979-K1981 PolarHBondContact O-N 2.98Å; K1981-R1983 VanDerWaalsContact C-N 3.32Å; K1981-R1983 PolarHBondContact O-N 3.11Å
1982	Q	24.8	Very low	24.7	Very low	144.6 Å²	144.6	145.7 Å²	145.7	68%	0.676	69%	0.685	S	S	*	*			trans	-85.6	111.4	163.9	-101.7	-174.5	-1.4	0	0	109.3	N1953 Y1980 Q1984	N1953-Q1982 PolarHBondContact OD1-N 2.77Å; Y1980-Q1982 HydrophobicContact CD1-CB 4.27Å; Y1980-Q1982 HydrophobicContact CD1-CG 4.28Å; Y1980-Q1982 HydrophobicContact CE1-CB 4.14Å; Y1980-Q1982 HydrophobicContact CE1-CG 4.15Å; Y1980-Q1982 PolarHBondContact O-N 2.96Å; Y1980-Q1982 VanDerWaalsContact O-N 3.09Å; Q1982-Q1984 PolarHBondContact O-N 3.02Å; Q1982-Q1984 VanDerWaalsContact O-N 3.09Å
1983	R	23.7	Very low	24.7	Very low	226 Å²	226	143.1 Å²	143.1	85%	0.853	68%	0.681	S	S	*	*			trans	-74.8	109.8	172.7	-75	-179.7	175.6	179.2	-1.8	109.5	Y1855 K1981	Y1855-R1983 PolarHBondContact OH-NH2 2.85Å; Y1855-R1983 VanDerWaalsContact OH-NH2 3.15Å; K1981-R1983 VanDerWaalsContact C-N 3.32Å; K1981-R1983 PolarHBondContact O-N 3.11Å
1984	Q	24.4	Very low	25	Very low	166 Å²	166	140 Å²	140	78%	0.776	67%	0.668	S	S	*	*			trans	-115.9	136.3	145.5	-77	-175.4	10.4	0	0	109.9	N1952 Q1982 Q1986	N1952-Q1984 PolarHBondContact OD1-NE2 2.65Å; Q1982-Q1984 PolarHBondContact O-N 3.02Å; Q1982-Q1984 VanDerWaalsContact O-N 3.09Å; Q1984-Q1986 PolarHBondContact O-N 3.18Å
1985	R	24.6	Very low	25.2	Very low	228.4 Å²	228.4	139.8 Å²	139.8	86%	0.862	67%	0.667	S	S	*	*	S	Bend	trans	-56.7	129.6	171.8	-69.9	175.2	174.8	172.1	-3	110.8	E2378	R1985-E2378 IonicContact CZ-OE1 3.45Å; R1985-E2378 VanDerWaalsContact NH2-CG 3.32Å; R1985-E2378 IonicContact NH2-OE1 2.68Å; R1985-E2378 PolarHBondContact NH2-OE1 3.22Å
1986	Q	23.8	Very low	25.4	Very low	178.6 Å²	178.6	139.5 Å²	139.5	84%	0.835	66%	0.658	S	S	*	*	S	Bend	trans	92.9	116.5	160.4	-65.2	175.2	-6.5	0	0	116.1	Q1984	Q1984-Q1986 PolarHBondContact O-N 3.18Å
1987	Q	24.1	Very low	25.7	Very low	179.2 Å²	179.2	139 Å²	139	84%	0.837	65%	0.654	S	S	*	*			trans	85.3	119.3	151.3	-69.9	176.7	-4.6	0	0	117.5	Q1989	Q1987-Q1989 PolarHBondContact O-N 2.87Å
1988	Q	23.8	Very low	26.1	Very low	183.2 Å²	183.2	138.7 Å²	138.7	86%	0.856	65%	0.648	S	S	*	*			trans	28.2	112.1	153.4	-70.7	173.3	-23.5	0	0	116.9
1989	Q	24.1	Very low	26.3	Very low	186.4 Å²	186.4	135.4 Å²	135.4	87%	0.871	64%	0.64	S	S	*	*			trans	147	122.7	145.2	-83.4	175.1	-21.6	0	0	112.4	Q1987 D1991	Q1987-Q1989 PolarHBondContact O-N 2.87Å; Q1989-D1991 PolarHBondContact O-N 2.81Å
1990	S	24.9	Very low	26.7	Very low	104.6 Å²	104.6	134.6 Å²	134.6	73%	0.731	63%	0.631	S	S	*	*			trans	-121.6	117.9	170.9	48	0	0	0	0	109.9	S1992	S1990-S1992 PolarHBondContact O-N 2.92Å
1991	D	26.1	Very low	27.2	Very low	151.8 Å²	151.8	131.5 Å²	131.5	81%	0.812	63%	0.625	S	S	*	*			trans	-91.5	119.9	172.5	-76.1	-41.1	0	0	0	110.9	Q1989 I1993	Q1989-D1991 PolarHBondContact O-N 2.81Å; D1991-I1993 PolarHBondContact O-N 2.86Å
1992	S	25.6	Very low	27.9	Very low	86.2 Å²	86.2	128 Å²	128	60%	0.603	62%	0.615	S	S	*	*			trans	-96.6	118.5	179.2	57.3	0	0	0	0	111.9	S1990	S1990-S1992 PolarHBondContact O-N 2.92Å
1993	I	27	Very low	28.3	Very low	89 Å²	89	127.8 Å²	127.8	46%	0.456	62%	0.618	S	S	.	*			trans	-84.8	119.1	164.7	-56.6	172.9	0	0	0	109.2	Y1978 D1991 Y1995 K2014 F2016	Y1978-I1993 HydrophobicContact CE1-CD1 4.34Å; Y1978-I1993 HydrophobicContact CE2-CG2 4.1Å; Y1978-I1993 PolarHBondContact N-O 3.13Å; Y1978-I1993 WeakPolarHBondContact OH-CD1 3.34Å; D1991-I1993 PolarHBondContact O-N 2.86Å; I1993-Y1995 HydrophobicContact CG2-CD2 4.25Å; I1993-Y1995 HydrophobicContact CG2-CE1 4.39Å; I1993-Y1995 HydrophobicContact CG2-CE2 4.09Å; I1993-Y1995 PolarHBondContact O-N 3.4Å; I1993-K2014 WeakPolarHBondContact CA-O 3.36Å; I1993-F2016 HydrophobicContact CG2-CD1 4.36Å; I1993-F2016 HydrophobicContact CG2-CD2 4.15Å; I1993-F2016 HydrophobicContact CG2-CE1 4.18Å; I1993-F2016 HydrophobicContact CG2-CE2 3.53Å; I1993-F2016 VanDerWaalsContact CG2-CE2 3.46Å; I1993-F2016 HydrophobicContact CG2-CG 4.37Å; I1993-F2016 HydrophobicContact CG2-CZ 3.62Å; I1993-F2016 VanDerWaalsContact CG2-CZ 3.46Å
1994	S	28.5	Very low	28.8	Very low	41 Å²	41	124.1 Å²	124.1	29%	0.287	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.6	141.2	176.5	59	0	0	0	0	111.9	M1976 H1996 K2014	M1976-S1994 WeakPolarHBondContact O-CA 3.1Å; M1976-S1994 VanDerWaalsContact O-CB 3.27Å; M1976-S1994 WeakPolarHBondContact O-CB 3.15Å; S1994-H1996 VanDerWaalsContact C-N 3.34Å; S1994-H1996 PolarHBondContact O-N 3.46Å; S1994-H1996 PolarHBondContact OG-CD2 2.95Å; S1994-H1996 PolarHBondContact OG-NE2 3.14Å; S1994-K2014 PolarHBondContact N-O 2.78Å; S1994-K2014 VanDerWaalsContact N-O 3.1Å; S1994-K2014 CarbonylContact O-C 3.56Å; S1994-K2014 WeakPolarHBondContact O-CA 3.49Å; S1994-K2014 WeakPolarHBondContact O-CB 3.11Å; S1994-K2014 PolarHBondContact O-N 3.14Å; S1994-K2014 WeakPolarHBondContact OG-CB 3.17Å; S1994-K2014 WeakPolarHBondContact OG-CD 3.36Å
1995	Y	30.5	Very low	29.6	Very low	114 Å²	114	119.6 Å²	119.6	45%	0.447	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.8	126.1	167.5	-13.1	-87.6	0	0	0	109	Y1974 M1976 Y1978 I1993 F1997 Q2012 L2013 F2016	Y1974-Y1995 VanDerWaalsContact O-O 3.05Å; M1976-Y1995 HydrophobicContact CB-CE1 4.13Å; M1976-Y1995 HydrophobicContact CE-CD1 4.01Å; M1976-Y1995 HydrophobicContact CE-CE1 4.12Å; M1976-Y1995 HydrophobicContact CG-CE1 4.5Å; Y1978-Y1995 HydrophobicContact CE2-CE1 4.18Å; Y1978-Y1995 PolarHBondContact OH-OH 2.98Å; I1993-Y1995 HydrophobicContact CG2-CD2 4.25Å; I1993-Y1995 HydrophobicContact CG2-CE1 4.39Å; I1993-Y1995 HydrophobicContact CG2-CE2 4.09Å; I1993-Y1995 PolarHBondContact O-N 3.4Å; Y1995-F1997 PolarHBondContact O-N 2.98Å; Y1995-Q2012 CarbonylContact C-O 3.55Å; Y1995-Q2012 VanDerWaalsContact CA-O 3.25Å; Y1995-Q2012 WeakPolarHBondContact CA-O 3.41Å; Y1995-L2013 HydrophobicContact CD1-CD2 4.25Å; Y1995-F2016 AromaticContact CD1-CE2 3.81Å; Y1995-F2016 HydrophobicContact CD1-CE2 3.81Å; Y1995-F2016 AromaticContact CD1-CZ 3.87Å; Y1995-F2016 HydrophobicContact CD1-CZ 4.05Å; Y1995-F2016 HydrophobicContact CE1-CD2 4.22Å; Y1995-F2016 HydrophobicContact CE1-CE1 4.34Å; Y1995-F2016 AromaticContact CE1-CE2 3.1Å; Y1995-F2016 HydrophobicContact CE1-CE2 3.1Å; Y1995-F2016 AromaticContact CE1-CZ 3.2Å; Y1995-F2016 HydrophobicContact CE1-CZ 3.2Å; Y1995-F2016 HydrophobicContact CG-CE2 4.38Å; Y1995-F2016 AromaticContact CZ-CE2 3.85Å; Y1995-F2016 AromaticContact CZ-CZ 3.61Å; Y1995-F2016 WeakPolarHBondContact OH-CZ 3.41Å
1996	H	29.9	Very low	30.3	Very low	59.4 Å²	59.4	112 Å²	112	28%	0.275	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.4	123.5	171.1	-63.2	-64.7	0	0	0	109.6	Y1974 S1975 E1977 S1994 Y1998 L2011 Q2012	Y1974-H1996 WeakPolarHBondContact O-CA 3.4Å; Y1974-H1996 PolarHBondContact O-ND1 3.41Å; S1975-H1996 WeakPolarHBondContact CA-ND1 3.33Å; S1975-H1996 WeakPolarHBondContact CB-CE1 3.37Å; S1975-H1996 WeakPolarHBondContact CB-ND1 3.49Å; E1977-H1996 IonicContact OE2-ND1 2.74Å; S1994-H1996 VanDerWaalsContact C-N 3.34Å; S1994-H1996 PolarHBondContact O-N 3.46Å; S1994-H1996 PolarHBondContact OG-CD2 2.95Å; S1994-H1996 PolarHBondContact OG-NE2 3.14Å; H1996-Y1998 VanDerWaalsContact C-N 3.25Å; H1996-Y1998 HydrophobicContact CB-CD2 4.09Å; H1996-Y1998 HydrophobicContact CB-CE2 3.57Å; H1996-Y1998 VanDerWaalsContact CB-CE2 3.48Å; H1996-Y1998 HydrophobicContact CB-CG 4.23Å; H1996-Y1998 WeakPolarHBondContact CB-OH 3.46Å; H1996-Y1998 PolarHBondContact O-N 3.46Å; H1996-Y1998 VanDerWaalsContact O-N 3.15Å; H1996-L2011 CarbonylContact O-C 3.53Å; H1996-L2011 WeakPolarHBondContact O-CA 3.34Å; H1996-Q2012 HydrophobicContact CB-CB 4.28Å; H1996-Q2012 PolarHBondContact CD2-OE1 3.28Å; H1996-Q2012 PolarHBondContact N-O 2.86Å; H1996-Q2012 PolarHBondContact O-N 2.85Å
1997	F	30	Very low	31.1	Very low	84.2 Å²	84.2	104.9 Å²	104.9	37%	0.369	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114	170.9	-142.2	-92.8	0	0	0	108.6	I1936 F1938 Y1974 M1976 E1977 Y1995 N1999 I2009 D2010 L2011	I1936-F1997 HydrophobicContact CD1-CZ 4.46Å; I1936-F1997 HydrophobicContact CG2-CZ 4.33Å; F1938-F1997 AromaticContact CD2-CE2 3.69Å; F1938-F1997 HydrophobicContact CD2-CE2 4.04Å; F1938-F1997 AromaticContact CD2-CZ 3.75Å; F1938-F1997 HydrophobicContact CD2-CZ 3.75Å; F1938-F1997 HydrophobicContact CE1-CE2 4.26Å; F1938-F1997 HydrophobicContact CE2-CD2 4.4Å; F1938-F1997 AromaticContact CE2-CE2 3.21Å; F1938-F1997 HydrophobicContact CE2-CE2 3.21Å; F1938-F1997 AromaticContact CE2-CZ 3.44Å; F1938-F1997 HydrophobicContact CE2-CZ 3.44Å; F1938-F1997 VanDerWaalsContact CE2-CZ 3.44Å; F1938-F1997 HydrophobicContact CG-CE2 4.39Å; F1938-F1997 AromaticContact CZ-CE2 3.54Å; F1938-F1997 HydrophobicContact CZ-CE2 3.54Å; F1938-F1997 HydrophobicContact CZ-CZ 4.23Å; Y1974-F1997 HydrophobicContact CD1-CE1 4.31Å; M1976-F1997 HydrophobicContact CE-CE2 4.25Å; M1976-F1997 HydrophobicContact CE-CZ 4.18Å; M1976-F1997 HydrophobicContact CG-CZ 4.28Å; M1976-F1997 HydrophobicContact SD-CE2 4.09Å; M1976-F1997 HydrophobicContact SD-CZ 3.95Å; E1977-F1997 PolarHBondContact OE1-N 3.33Å; E1977-F1997 VanDerWaalsContact OE1-N 3.13Å; Y1995-F1997 PolarHBondContact O-N 2.98Å; F1997-N1999 HydrophobicContact CE1-CB 4.21Å; F1997-N1999 PolarHBondContact O-N 3.17Å; F1997-I2009 HydrophobicContact CD2-CG2 4.43Å; F1997-I2009 HydrophobicContact CE2-CG2 3.7Å; F1997-I2009 HydrophobicContact CZ-CG2 3.77Å; F1997-D2010 CarbonylContact C-O 3.56Å; F1997-D2010 WeakPolarHBondContact CA-O 3.48Å; F1997-L2011 HydrophobicContact CD2-CB 4.42Å; F1997-L2011 HydrophobicContact CD2-CD1 4.25Å; F1997-L2011 HydrophobicContact CD2-CG 4.44Å; F1997-L2011 HydrophobicContact CE2-CD1 4.35Å
1998	Y	33	Very low	31.9	Very low	121 Å²	121	98.9 Å²	98.9	48%	0.475	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.4	176.2	-62.2	-84.4	0	0	0	109.4	I1973 H1996 T2000 N2008 I2009 D2010	I1973-Y1998 HydrophobicContact CB-CE1 4.4Å; I1973-Y1998 HydrophobicContact CG1-CD1 3.99Å; I1973-Y1998 HydrophobicContact CG1-CE1 3.99Å; I1973-Y1998 HydrophobicContact CG2-CE1 4.07Å; H1996-Y1998 VanDerWaalsContact C-N 3.25Å; H1996-Y1998 HydrophobicContact CB-CD2 4.09Å; H1996-Y1998 HydrophobicContact CB-CE2 3.57Å; H1996-Y1998 VanDerWaalsContact CB-CE2 3.48Å; H1996-Y1998 HydrophobicContact CB-CG 4.23Å; H1996-Y1998 WeakPolarHBondContact CB-OH 3.46Å; H1996-Y1998 PolarHBondContact O-N 3.46Å; H1996-Y1998 VanDerWaalsContact O-N 3.15Å; Y1998-T2000 HydrophobicContact CD1-CG2 4.32Å; Y1998-T2000 PolarHBondContact O-N 2.75Å; Y1998-T2000 PolarHBondContact O-OG1 3.41Å; Y1998-N2008 VanDerWaalsContact O-O 3.12Å; Y1998-I2009 CarbonylContact O-C 3.48Å; Y1998-I2009 VanDerWaalsContact O-CA 3.32Å; Y1998-I2009 WeakPolarHBondContact O-CA 3.4Å; Y1998-D2010 HydrophobicContact CD2-CB 3.96Å; Y1998-D2010 HydrophobicContact CG-CB 4.27Å; Y1998-D2010 PolarHBondContact N-O 2.89Å; Y1998-D2010 PolarHBondContact O-N 2.87Å
1999	N	31.2	Very low	32.8	Very low	71.2 Å²	71.2	91 Å²	91	38%	0.381	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	108.3	167.8	-158.6	-3.2	0	0	0	109.3	I1936 I1973 S1975 F1997 I2001 N2008	I1936-N1999 VanDerWaalsContact CD1-ND2 3.34Å; I1936-N1999 WeakPolarHBondContact CD1-ND2 3.21Å; I1973-N1999 WeakPolarHBondContact CB-ND2 3.12Å; I1973-N1999 WeakPolarHBondContact CG2-ND2 3.29Å; S1975-N1999 WeakPolarHBondContact CB-ND2 3.27Å; S1975-N1999 PolarHBondContact OG-ND2 3.21Å; F1997-N1999 HydrophobicContact CE1-CB 4.21Å; F1997-N1999 PolarHBondContact O-N 3.17Å; N1999-I2001 PolarHBondContact O-N 2.81Å; N1999-N2008 CarbonylContact C-O 3.56Å; N1999-N2008 VanDerWaalsContact CA-O 3.23Å; N1999-N2008 WeakPolarHBondContact CA-O 3.36Å; N1999-N2008 PolarHBondContact OD1-O 2.92Å
2000	T	32.8	Very low	33.6	Very low	76.8 Å²	76.8	84.7 Å²	84.7	47%	0.471	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.7	171.4	55.8	0	0	0	0	110.6	Y1971 Y1998 I2006 S2007 N2008	Y1971-T2000 HydrophobicContact CE1-CG2 4.15Å; Y1971-T2000 WeakPolarHBondContact OH-CB 3.18Å; Y1998-T2000 HydrophobicContact CD1-CG2 4.32Å; Y1998-T2000 PolarHBondContact O-N 2.75Å; Y1998-T2000 PolarHBondContact O-OG1 3.41Å; T2000-I2006 VanDerWaalsContact O-O 3.13Å; T2000-S2007 CarbonylContact O-C 3.46Å; T2000-N2008 PolarHBondContact N-O 3.21Å; T2000-N2008 VanDerWaalsContact N-O 3.15Å; T2000-N2008 PolarHBondContact O-N 2.92Å; T2000-N2008 VanDerWaalsContact O-N 3.09Å; T2000-N2008 WeakPolarHBondContact OG1-CB 3.44Å
2001	I	35.2	Very low	34.4	Very low	95.4 Å²	95.4	81 Å²	81	49%	0.489	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	107.5	166.4	-68.9	169.5	0	0	0	107.8	Y1934 N1999 I2006	Y1934-I2001 HydrophobicContact CD2-CD1 3.72Å; Y1934-I2001 HydrophobicContact CE2-CD1 3.72Å; N1999-I2001 PolarHBondContact O-N 2.81Å; I2001-I2006 VanDerWaalsContact CA-O 3.31Å; I2001-I2006 WeakPolarHBondContact CA-O 3.34Å
2002	N	37.2	Very low	35.3	Very low	101.6 Å²	101.6	76.4 Å²	76.4	54%	0.543	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	153.5	168.6	-80.9	-38.7	0	0	0	110.3	K2004 N2005 I2006	N2002-K2004 PolarHBondContact O-N 3.17Å; N2002-N2005 PolarHBondContact O-N 3.23Å; N2002-N2005 VanDerWaalsContact O-N 3.15Å; N2002-I2006 PolarHBondContact N-O 3.1Å
2003	N	34.2	Very low	36.1	Very low	140.4 Å²	140.4	73.3 Å²	73.3	75%	0.751	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	11.1	173.2	-66.8	-10.4	0	0	0	115	N1970	N1970-N2003 PolarHBondContact ND2-OD1 3.01Å; N1970-N2003 VanDerWaalsContact ND2-OD1 3.11Å; N1970-N2003 PolarHBondContact OD1-OD1 3.23Å
2004	K	34.8	Very low	36.9	Very low	148 Å²	148	72.8 Å²	72.8	64%	0.643	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	28.6	174.7	-63.2	-174	174.3	-164.7	0	114.4	Q1247 N2002 I2006	Q1247-K2004 HydrophobicContact CB-CG 4.33Å; Q1247-K2004 HydrophobicContact CG-CG 3.92Å; N2002-K2004 PolarHBondContact O-N 3.17Å; K2004-I2006 VanDerWaalsContact C-N 3.29Å; K2004-I2006 HydrophobicContact CB-CD1 4.2Å; K2004-I2006 HydrophobicContact CB-CG1 4.21Å; K2004-I2006 PolarHBondContact O-N 3.34Å
2005	N	40.8	Very low	37.4	Very low	71 Å²	71	72.4 Å²	72.4	38%	0.38	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	43.2	165.2	-63	-20.2	0	0	0	113.8	N2002 N2032 I2033 Q2034 L2035	N2002-N2005 PolarHBondContact O-N 3.23Å; N2002-N2005 VanDerWaalsContact O-N 3.15Å; N2005-N2032 WeakPolarHBondContact CA-O 3.17Å; N2005-N2032 HydrophobicContact CB-CB 4.41Å; N2005-N2032 WeakPolarHBondContact CB-O 3.26Å; N2005-N2032 VanDerWaalsContact CG-C 3.48Å; N2005-N2032 VanDerWaalsContact CG-O 3.26Å; N2005-N2032 WeakPolarHBondContact ND2-CB 3.38Å; N2005-N2032 PolarHBondContact ND2-O 2.74Å; N2005-N2032 PolarHBondContact OD1-O 3.06Å; N2005-N2032 VanDerWaalsContact OD1-O 3.09Å; N2005-I2033 CarbonylContact O-C 3.43Å; N2005-I2033 WeakPolarHBondContact O-CA 3.18Å; N2005-Q2034 HydrophobicContact CB-CB 3.98Å; N2005-Q2034 HydrophobicContact CB-CG 4.02Å; N2005-Q2034 PolarHBondContact ND2-NE2 3.44Å; N2005-Q2034 VanDerWaalsContact ND2-NE2 3.17Å; N2005-Q2034 PolarHBondContact O-N 3.02Å; N2005-L2035 PolarHBondContact O-N 2.84Å; N2005-L2035 VanDerWaalsContact O-N 3.17Å
2006	I	38.5	Very low	37.9	Very low	69.8 Å²	69.8	69 Å²	69	36%	0.358	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.4	176.8	-58.3	172	0	0	0	108.3	T2000 I2001 N2002 K2004 N2008 L2035	T2000-I2006 VanDerWaalsContact O-O 3.13Å; I2001-I2006 VanDerWaalsContact CA-O 3.31Å; I2001-I2006 WeakPolarHBondContact CA-O 3.34Å; N2002-I2006 PolarHBondContact N-O 3.1Å; K2004-I2006 VanDerWaalsContact C-N 3.29Å; K2004-I2006 HydrophobicContact CB-CD1 4.2Å; K2004-I2006 HydrophobicContact CB-CG1 4.21Å; K2004-I2006 PolarHBondContact O-N 3.34Å; I2006-N2008 VanDerWaalsContact CG2-OD1 3.25Å; I2006-N2008 WeakPolarHBondContact CG2-OD1 3.36Å; I2006-L2035 CarbonylContact C-O 3.47Å; I2006-L2035 WeakPolarHBondContact CA-O 3.24Å; I2006-L2035 HydrophobicContact CB-CB 4.38Å; I2006-L2035 HydrophobicContact CG1-CB 4.22Å; I2006-L2035 HydrophobicContact CG2-CB 4.25Å; I2006-L2035 HydrophobicContact CG2-CD2 3.9Å
2007	S	40.1	Very low	38.4	Very low	28.2 Å²	28.2	69.4 Å²	69.4	20%	0.197	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.8	170.9	140.4	0	0	0	0	109.6	T2000 L2035 I2036 D2037	T2000-S2007 CarbonylContact O-C 3.46Å; S2007-L2035 PolarHBondContact N-O 3.06Å; S2007-I2036 CarbonylContact O-C 3.36Å; S2007-I2036 VanDerWaalsContact O-CA 3.3Å; S2007-I2036 WeakPolarHBondContact O-CA 3.33Å; S2007-D2037 PolarHBondContact O-N 3.12Å; S2007-D2037 VanDerWaalsContact O-N 3.08Å
2008	N	40.9	Very low	39	Very low	53 Å²	53	69 Å²	69	28%	0.283	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.5	170.9	-70.7	17.6	0	0	0	109.6	Y1998 N1999 T2000 I2006 D2037	Y1998-N2008 VanDerWaalsContact O-O 3.12Å; N1999-N2008 CarbonylContact C-O 3.56Å; N1999-N2008 VanDerWaalsContact CA-O 3.23Å; N1999-N2008 WeakPolarHBondContact CA-O 3.36Å; N1999-N2008 PolarHBondContact OD1-O 2.92Å; T2000-N2008 PolarHBondContact N-O 3.21Å; T2000-N2008 VanDerWaalsContact N-O 3.15Å; T2000-N2008 PolarHBondContact O-N 2.92Å; T2000-N2008 VanDerWaalsContact O-N 3.09Å; T2000-N2008 WeakPolarHBondContact OG1-CB 3.44Å; I2006-N2008 VanDerWaalsContact CG2-OD1 3.25Å; I2006-N2008 WeakPolarHBondContact CG2-OD1 3.36Å; N2008-D2037 CarbonylContact C-O 3.43Å; N2008-D2037 WeakPolarHBondContact CA-O 3.16Å; N2008-D2037 HydrophobicContact CB-CB 4.48Å; N2008-D2037 PolarHBondContact ND2-OD2 2.84Å; N2008-D2037 WeakPolarHBondContact OD1-CB 3.42Å
2009	I	42.9	Very low	39.6	Very low	19 Å²	19	63.9 Å²	63.9	10%	0.097	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	99.1	174.1	-59.6	174.9	0	0	0	107.6	F1938 E1961 F1997 Y1998 L2011 I2025 I2036 D2037 I2038 Q2039	F1938-I2009 HydrophobicContact CE2-CG2 4.43Å; E1961-I2009 WeakPolarHBondContact OE2-CD1 3.45Å; F1997-I2009 HydrophobicContact CD2-CG2 4.43Å; F1997-I2009 HydrophobicContact CE2-CG2 3.7Å; F1997-I2009 HydrophobicContact CZ-CG2 3.77Å; Y1998-I2009 CarbonylContact O-C 3.48Å; Y1998-I2009 VanDerWaalsContact O-CA 3.32Å; Y1998-I2009 WeakPolarHBondContact O-CA 3.4Å; I2009-L2011 HydrophobicContact CG2-CD1 4.45Å; I2009-L2011 HydrophobicContact CG2-CG 4.42Å; I2009-L2011 PolarHBondContact O-N 3.32Å; I2009-I2025 HydrophobicContact CD1-CD1 3.98Å; I2009-I2025 HydrophobicContact CD1-CG1 4.44Å; I2009-I2036 HydrophobicContact CD1-CG2 4.23Å; I2009-D2037 PolarHBondContact N-O 2.89Å; I2009-I2038 HydrophobicContact CB-CG1 4.4Å; I2009-I2038 HydrophobicContact CD1-CG1 4.4Å; I2009-I2038 CarbonylContact O-C 3.44Å; I2009-I2038 VanDerWaalsContact O-CA 3.23Å; I2009-I2038 WeakPolarHBondContact O-CA 3.41Å; I2009-Q2039 PolarHBondContact O-N 3.02Å; I2009-Q2039 VanDerWaalsContact O-N 3.13Å
2010	D	40.5	Very low	40.2	Very low	52.6 Å²	52.6	64.6 Å²	64.6	28%	0.281	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.7	178.2	-52.9	-41.8	0	0	0	110	F1997 Y1998 Q2012 Q2039 I2041	F1997-D2010 CarbonylContact C-O 3.56Å; F1997-D2010 WeakPolarHBondContact CA-O 3.48Å; Y1998-D2010 HydrophobicContact CD2-CB 3.96Å; Y1998-D2010 HydrophobicContact CG-CB 4.27Å; Y1998-D2010 PolarHBondContact N-O 2.89Å; Y1998-D2010 PolarHBondContact O-N 2.87Å; D2010-Q2012 PolarHBondContact O-N 3.29Å; D2010-Q2039 CarbonylContact C-O 3.58Å; D2010-Q2039 WeakPolarHBondContact CA-O 3.33Å; D2010-Q2039 HydrophobicContact CB-CB 4.32Å; D2010-Q2039 WeakPolarHBondContact OD1-CB 3.29Å; D2010-Q2039 WeakPolarHBondContact OD1-CG 3.39Å; D2010-I2041 HydrophobicContact CB-CD1 4.45Å
2011	L	42.8	Very low	40.8	Very low	28 Å²	28	61.9 Å²	61.9	15%	0.147	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	101.8	179.3	-126.3	158.2	0	0	0	109.6	F1938 H1996 F1997 I2009 L2013 F2019 I2023 I2038 Q2039 L2040 I2041	F1938-L2011 HydrophobicContact CD2-CD1 4.34Å; F1938-L2011 HydrophobicContact CE1-CD1 3.34Å; F1938-L2011 HydrophobicContact CE2-CD1 3.75Å; F1938-L2011 HydrophobicContact CZ-CD1 3.55Å; H1996-L2011 CarbonylContact O-C 3.53Å; H1996-L2011 WeakPolarHBondContact O-CA 3.34Å; F1997-L2011 HydrophobicContact CD2-CB 4.42Å; F1997-L2011 HydrophobicContact CD2-CD1 4.25Å; F1997-L2011 HydrophobicContact CD2-CG 4.44Å; F1997-L2011 HydrophobicContact CE2-CD1 4.35Å; I2009-L2011 HydrophobicContact CG2-CD1 4.45Å; I2009-L2011 HydrophobicContact CG2-CG 4.42Å; I2009-L2011 PolarHBondContact O-N 3.32Å; L2011-L2013 HydrophobicContact CB-CD2 4.35Å; L2011-L2013 HydrophobicContact CB-CG 4.46Å; L2011-L2013 HydrophobicContact CD2-CD1 4.24Å; L2011-L2013 HydrophobicContact CD2-CD2 3.86Å; L2011-L2013 HydrophobicContact CD2-CG 3.8Å; L2011-L2013 PolarHBondContact O-N 2.84Å; L2011-F2019 HydrophobicContact CD2-CZ 4.39Å; L2011-I2023 HydrophobicContact CD1-CD1 3.93Å; L2011-I2023 HydrophobicContact CD2-CD1 4.21Å; L2011-I2038 HydrophobicContact CD1-CG2 4.34Å; L2011-Q2039 PolarHBondContact N-O 3.16Å; L2011-L2040 HydrophobicContact CB-CD2 4.05Å; L2011-L2040 HydrophobicContact CD1-CD2 3.98Å; L2011-L2040 HydrophobicContact CD2-CD2 4.03Å; L2011-L2040 HydrophobicContact CG-CD2 4.46Å; L2011-L2040 CarbonylContact O-C 3.56Å; L2011-L2040 WeakPolarHBondContact O-CA 3.25Å; L2011-I2041 PolarHBondContact O-N 3.27Å; L2011-I2041 VanDerWaalsContact O-N 3.13Å
2012	Q	44.1	Very low	41.3	Very low	55 Å²	55	58.6 Å²	58.6	26%	0.257	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.2	177.8	-167.7	176.3	39	0	0	110.7	Y1995 H1996 D2010 K2014 I2041 N2043	Y1995-Q2012 CarbonylContact C-O 3.55Å; Y1995-Q2012 VanDerWaalsContact CA-O 3.25Å; Y1995-Q2012 WeakPolarHBondContact CA-O 3.41Å; H1996-Q2012 HydrophobicContact CB-CB 4.28Å; H1996-Q2012 PolarHBondContact CD2-OE1 3.28Å; H1996-Q2012 PolarHBondContact N-O 2.86Å; H1996-Q2012 PolarHBondContact O-N 2.85Å; D2010-Q2012 PolarHBondContact O-N 3.29Å; Q2012-K2014 PolarHBondContact O-N 2.75Å; Q2012-I2041 CarbonylContact C-O 3.58Å; Q2012-I2041 WeakPolarHBondContact CA-O 3.38Å; Q2012-I2041 HydrophobicContact CB-CB 4.39Å; Q2012-I2041 HydrophobicContact CG-CB 4.25Å; Q2012-I2041 HydrophobicContact CG-CG2 4.17Å; Q2012-N2043 PolarHBondContact NE2-OD1 3.32Å
2013	L	44.1	Very low	41.9	Very low	20 Å²	20	54.3 Å²	54.3	11%	0.105	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.7	179	-62.5	174.4	0	0	0	111	Y1995 L2011 F2016 F2019 I2041 N2042 N2043 W2051 F2053	Y1995-L2013 HydrophobicContact CD1-CD2 4.25Å; L2011-L2013 HydrophobicContact CB-CD2 4.35Å; L2011-L2013 HydrophobicContact CB-CG 4.46Å; L2011-L2013 HydrophobicContact CD2-CD1 4.24Å; L2011-L2013 HydrophobicContact CD2-CD2 3.86Å; L2011-L2013 HydrophobicContact CD2-CG 3.8Å; L2011-L2013 PolarHBondContact O-N 2.84Å; L2013-F2016 HydrophobicContact CB-CD2 4.37Å; L2013-F2016 HydrophobicContact CB-CE2 3.95Å; L2013-F2016 HydrophobicContact CD1-CE2 4.32Å; L2013-F2016 HydrophobicContact CD2-CD2 4.05Å; L2013-F2016 HydrophobicContact CD2-CE2 4.27Å; L2013-F2016 HydrophobicContact CD2-CG 4.36Å; L2013-F2016 HydrophobicContact CD2-CZ 4.47Å; L2013-F2016 HydrophobicContact CG-CE2 4.33Å; L2013-F2019 HydrophobicContact CD1-CD1 3.83Å; L2013-F2019 HydrophobicContact CD1-CD2 4.07Å; L2013-F2019 HydrophobicContact CD1-CE1 3.64Å; L2013-F2019 VanDerWaalsContact CD1-CE1 3.48Å; L2013-F2019 HydrophobicContact CD1-CE2 4.04Å; L2013-F2019 HydrophobicContact CD1-CG 4.04Å; L2013-F2019 HydrophobicContact CD1-CZ 3.66Å; L2013-F2019 HydrophobicContact CD2-CD2 4.25Å; L2013-F2019 HydrophobicContact CD2-CE1 4.28Å; L2013-F2019 HydrophobicContact CD2-CE2 3.97Å; L2013-F2019 HydrophobicContact CD2-CZ 3.91Å; L2013-F2019 HydrophobicContact CG-CE1 4.5Å; L2013-F2019 HydrophobicContact CG-CE2 4.42Å; L2013-F2019 HydrophobicContact CG-CZ 4.22Å; L2013-I2041 PolarHBondContact N-O 3.24Å; L2013-N2042 WeakPolarHBondContact O-CA 3.13Å; L2013-N2042 PolarHBondContact O-OD1 2.95Å; L2013-N2043 PolarHBondContact O-N 3.27Å; L2013-N2043 VanDerWaalsContact O-N 3.16Å; L2013-W2051 HydrophobicContact CD1-CB 4.43Å; L2013-F2053 HydrophobicContact CD1-CE1 3.91Å; L2013-F2053 VanDerWaalsContact CD1-CE1 3.48Å; L2013-F2053 HydrophobicContact CD1-CE2 3.89Å; L2013-F2053 HydrophobicContact CD1-CZ 3.69Å
2014	K	41.8	Very low	42.4	Very low	79.4 Å²	79.4	50.8 Å²	50.8	35%	0.345	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.1	172.6	-66.6	178.7	-175.6	164.9	0	109.4	I1993 S1994 Q2012 N2043 D2048	I1993-K2014 WeakPolarHBondContact CA-O 3.36Å; S1994-K2014 PolarHBondContact N-O 2.78Å; S1994-K2014 VanDerWaalsContact N-O 3.1Å; S1994-K2014 CarbonylContact O-C 3.56Å; S1994-K2014 WeakPolarHBondContact O-CA 3.49Å; S1994-K2014 WeakPolarHBondContact O-CB 3.11Å; S1994-K2014 PolarHBondContact O-N 3.14Å; S1994-K2014 WeakPolarHBondContact OG-CB 3.17Å; S1994-K2014 WeakPolarHBondContact OG-CD 3.36Å; Q2012-K2014 PolarHBondContact O-N 2.75Å; K2014-N2043 HydrophobicContact CG-CB 4.2Å; K2014-D2048 VanDerWaalsContact CE-OD1 3.27Å; K2014-D2048 WeakPolarHBondContact CE-OD1 3.31Å; K2014-D2048 IonicContact NZ-OD1 3.78Å
2015	G	39.6	Very low	43	Very low	31.6 Å²	31.6	44.3 Å²	44.3	33%	0.326	23%	0.232	S	C	.	.	S	Bend	trans	92.8	13.5	169.1	0	0	0	0	0	118.1	L2044	G2015-L2044 VanDerWaalsContact CA-CD2 3.48Å; G2015-L2044 VanDerWaalsContact N-CD1 3.33Å; G2015-L2044 VanDerWaalsContact N-CD2 3.33Å
2016	F	41.8	Very low	43.4	Very low	43.6 Å²	43.6	43.2 Å²	43.2	19%	0.191	23%	0.226	C	C	.	.			trans	-101.3	128.4	-178.8	-75.9	-85.2	0	0	0	114.4	N1942 T1943 I1993 Y1995 L2013 F2019 L2044 W2051	N1942-F2016 WeakPolarHBondContact ND2-CE1 3.46Å; T1943-F2016 HydrophobicContact CG2-CD1 4.03Å; T1943-F2016 HydrophobicContact CG2-CE1 3.74Å; I1993-F2016 HydrophobicContact CG2-CD1 4.36Å; I1993-F2016 HydrophobicContact CG2-CD2 4.15Å; I1993-F2016 HydrophobicContact CG2-CE1 4.18Å; I1993-F2016 HydrophobicContact CG2-CE2 3.53Å; I1993-F2016 VanDerWaalsContact CG2-CE2 3.46Å; I1993-F2016 HydrophobicContact CG2-CG 4.37Å; I1993-F2016 HydrophobicContact CG2-CZ 3.62Å; I1993-F2016 VanDerWaalsContact CG2-CZ 3.46Å; Y1995-F2016 AromaticContact CD1-CE2 3.81Å; Y1995-F2016 HydrophobicContact CD1-CE2 3.81Å; Y1995-F2016 AromaticContact CD1-CZ 3.87Å; Y1995-F2016 HydrophobicContact CD1-CZ 4.05Å; Y1995-F2016 HydrophobicContact CE1-CD2 4.22Å; Y1995-F2016 HydrophobicContact CE1-CE1 4.34Å; Y1995-F2016 AromaticContact CE1-CE2 3.1Å; Y1995-F2016 HydrophobicContact CE1-CE2 3.1Å; Y1995-F2016 AromaticContact CE1-CZ 3.2Å; Y1995-F2016 HydrophobicContact CE1-CZ 3.2Å; Y1995-F2016 HydrophobicContact CG-CE2 4.38Å; Y1995-F2016 AromaticContact CZ-CE2 3.85Å; Y1995-F2016 AromaticContact CZ-CZ 3.61Å; Y1995-F2016 WeakPolarHBondContact OH-CZ 3.41Å; L2013-F2016 HydrophobicContact CB-CD2 4.37Å; L2013-F2016 HydrophobicContact CB-CE2 3.95Å; L2013-F2016 HydrophobicContact CD1-CE2 4.32Å; L2013-F2016 HydrophobicContact CD2-CD2 4.05Å; L2013-F2016 HydrophobicContact CD2-CE2 4.27Å; L2013-F2016 HydrophobicContact CD2-CG 4.36Å; L2013-F2016 HydrophobicContact CD2-CZ 4.47Å; L2013-F2016 HydrophobicContact CG-CE2 4.33Å; F2016-F2019 HydrophobicContact CB-CD2 4.31Å; F2016-F2019 HydrophobicContact CD1-CD2 4.3Å; F2016-F2019 HydrophobicContact CD1-CE2 4.24Å; F2016-F2019 HydrophobicContact CD2-CD2 4.5Å; F2016-F2019 HydrophobicContact CE1-CE2 4.49Å; F2016-F2019 HydrophobicContact CG-CD2 4.17Å; F2016-F2019 HydrophobicContact CG-CE2 4.31Å; F2016-L2044 VanDerWaalsContact N-CD1 3.26Å; F2016-L2044 VanDerWaalsContact O-CD1 3.3Å; F2016-L2044 WeakPolarHBondContact O-CD1 3.37Å; F2016-W2051 WeakPolarHBondContact O-CZ2 2.78Å
2017	N	39.9	Very low	43.7	Very low	66.8 Å²	66.8	40.5 Å²	40.5	36%	0.357	21%	0.213	S	C	.	.	S	Bend	trans	-111.3	142	167.2	-60.9	-27	0	0	0	109.3	T1943 S2045 I2049 W2051	T1943-N2017 PolarHBondContact OG1-O 3.28Å; N2017-S2045 VanDerWaalsContact CG-CB 3.48Å; N2017-S2045 WeakPolarHBondContact OD1-CA 3.07Å; N2017-S2045 WeakPolarHBondContact OD1-CB 2.93Å; N2017-I2049 HydrophobicContact CB-CD1 4.33Å; N2017-I2049 HydrophobicContact CB-CG2 3.96Å; N2017-I2049 VanDerWaalsContact CG-CD1 3.42Å; N2017-I2049 VanDerWaalsContact ND2-CD1 3.32Å; N2017-I2049 WeakPolarHBondContact ND2-CD1 3.45Å; N2017-I2049 VanDerWaalsContact OD1-CB 3.27Å; N2017-I2049 WeakPolarHBondContact OD1-CB 3.49Å; N2017-I2049 WeakPolarHBondContact OD1-CD1 3.39Å; N2017-I2049 WeakPolarHBondContact OD1-CG2 3.43Å; N2017-W2051 WeakPolarHBondContact OD1-CZ2 3.33Å; N2017-W2051 PolarHBondContact OD1-NE1 3.48Å
2018	N	42.8	Very low	43.8	Very low	75.8 Å²	75.8	44.3 Å²	44.3	41%	0.405	23%	0.231	S	C	.	.	S	Bend	trans	53.1	77.8	176.8	-64.9	-18.4	0	0	0	114.8	N1942 T1943 N2042 V2050 W2051 F2052	N1942-N2018 WeakPolarHBondContact CB-O 3.14Å; T1943-N2018 HydrophobicContact CG2-CB 4.03Å; T1943-N2018 WeakPolarHBondContact CG2-O 3.22Å; N2018-N2042 WeakPolarHBondContact CA-O 3.24Å; N2018-V2050 PolarHBondContact OD1-O 3.04Å; N2018-W2051 WeakPolarHBondContact OD1-CA 3.44Å; N2018-F2052 CarbonylContact C-O 3.55Å; N2018-F2052 VanDerWaalsContact CA-O 3.24Å; N2018-F2052 WeakPolarHBondContact CA-O 3.32Å; N2018-F2052 WeakPolarHBondContact OD1-CB 3.32Å; N2018-F2052 PolarHBondContact OD1-N 3.21Å
2019	F	44.9	Very low	43.8	Very low	14.8 Å²	14.8	44.3 Å²	44.3	7%	0.065	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.8	-174.8	160.9	-102.1	0	0	0	112.3	L1940 N1941 T1943 L2011 L2013 F2016 F2021 N2042 W2051 F2052 F2053 N2054 F2091	L1940-F2019 HydrophobicContact CD2-CD2 3.34Å; L1940-F2019 HydrophobicContact CD2-CE1 4.28Å; L1940-F2019 HydrophobicContact CD2-CE2 3.62Å; L1940-F2019 HydrophobicContact CD2-CZ 3.35Å; N1941-F2019 WeakPolarHBondContact O-CA 3.47Å; N1941-F2019 WeakPolarHBondContact O-CB 3.35Å; T1943-F2019 HydrophobicContact CG2-CD2 3.7Å; T1943-F2019 HydrophobicContact CG2-CE2 4.25Å; L2011-F2019 HydrophobicContact CD2-CZ 4.39Å; L2013-F2019 HydrophobicContact CD1-CD1 3.83Å; L2013-F2019 HydrophobicContact CD1-CD2 4.07Å; L2013-F2019 HydrophobicContact CD1-CE1 3.64Å; L2013-F2019 VanDerWaalsContact CD1-CE1 3.48Å; L2013-F2019 HydrophobicContact CD1-CE2 4.04Å; L2013-F2019 HydrophobicContact CD1-CG 4.04Å; L2013-F2019 HydrophobicContact CD1-CZ 3.66Å; L2013-F2019 HydrophobicContact CD2-CD2 4.25Å; L2013-F2019 HydrophobicContact CD2-CE1 4.28Å; L2013-F2019 HydrophobicContact CD2-CE2 3.97Å; L2013-F2019 HydrophobicContact CD2-CZ 3.91Å; L2013-F2019 HydrophobicContact CG-CE1 4.5Å; L2013-F2019 HydrophobicContact CG-CE2 4.42Å; L2013-F2019 HydrophobicContact CG-CZ 4.22Å; F2016-F2019 HydrophobicContact CB-CD2 4.31Å; F2016-F2019 HydrophobicContact CD1-CD2 4.3Å; F2016-F2019 HydrophobicContact CD1-CE2 4.24Å; F2016-F2019 HydrophobicContact CD2-CD2 4.5Å; F2016-F2019 HydrophobicContact CE1-CE2 4.49Å; F2016-F2019 HydrophobicContact CG-CD2 4.17Å; F2016-F2019 HydrophobicContact CG-CE2 4.31Å; F2019-F2021 HydrophobicContact CD1-CB 4.29Å; F2019-F2021 AromaticContact CD1-CD1 3.75Å; F2019-F2021 HydrophobicContact CD1-CD1 3.92Å; F2019-F2021 HydrophobicContact CD1-CE1 4.43Å; F2019-F2021 HydrophobicContact CD1-CG 4.45Å; F2019-F2021 HydrophobicContact CE1-CB 3.84Å; F2019-F2021 AromaticContact CE1-CD1 3.6Å; F2019-F2021 HydrophobicContact CE1-CD1 3.6Å; F2019-F2021 AromaticContact CE1-CE1 3.9Å; F2019-F2021 HydrophobicContact CE1-CE1 4.18Å; F2019-F2021 AromaticContact CE1-CG 3.92Å; F2019-F2021 HydrophobicContact CE1-CG 4.04Å; F2019-F2021 HydrophobicContact CE2-CB 3.55Å; F2019-F2021 HydrophobicContact CE2-CD1 4.07Å; F2019-F2021 HydrophobicContact CE2-CG 4.18Å; F2019-F2021 HydrophobicContact CZ-CB 4.02Å; F2019-F2021 VanDerWaalsContact CZ-CB 3.44Å; F2019-F2021 AromaticContact CZ-CD1 3.12Å; F2019-F2021 HydrophobicContact CZ-CD1 3.12Å; F2019-F2021 HydrophobicContact CZ-CE1 4.02Å; F2019-F2021 AromaticContact CZ-CG 3.53Å; F2019-F2021 HydrophobicContact CZ-CG 3.53Å; F2019-N2042 HydrophobicContact CD1-CB 4.24Å; F2019-N2042 HydrophobicContact CE1-CB 3.97Å; F2019-N2042 WeakPolarHBondContact CE1-ND2 3.32Å; F2019-N2042 HydrophobicContact CZ-CB 4.24Å; F2019-N2042 PolarHBondContact N-O 2.85Å; F2019-N2042 PolarHBondContact O-N 2.73Å; F2019-N2042 VanDerWaalsContact O-N 3.15Å; F2019-W2051 AromaticContact CE1-CH2 3.8Å; F2019-W2051 HydrophobicContact CE1-CH2 3.8Å; F2019-W2051 HydrophobicContact CE1-CZ3 4.16Å; F2019-W2051 HydrophobicContact CZ-CH2 4.1Å; F2019-W2051 HydrophobicContact CZ-CZ3 4.14Å; F2019-F2052 PolarHBondContact N-O 2.95Å; F2019-F2052 VanDerWaalsContact N-O 3.14Å; F2019-F2053 HydrophobicContact CB-CD2 4.07Å; F2019-F2053 HydrophobicContact CB-CE1 4.19Å; F2019-F2053 HydrophobicContact CB-CE2 3.95Å; F2019-F2053 HydrophobicContact CB-CZ 3.9Å; F2019-F2053 HydrophobicContact CD1-CD1 4.27Å; F2019-F2053 AromaticContact CD1-CD2 3.7Å; F2019-F2053 HydrophobicContact CD1-CD2 3.7Å; F2019-F2053 AromaticContact CD1-CE1 3.61Å; F2019-F2053 HydrophobicContact CD1-CE1 3.9Å; F2019-F2053 AromaticContact CD1-CE2 3.65Å; F2019-F2053 HydrophobicContact CD1-CE2 3.65Å; F2019-F2053 VanDerWaalsContact CD1-CE2 3.43Å; F2019-F2053 HydrophobicContact CD1-CG 4.1Å; F2019-F2053 AromaticContact CD1-CZ 3.8Å; F2019-F2053 HydrophobicContact CD1-CZ 3.8Å; F2019-F2053 AromaticContact CE1-CD1 3.85Å; F2019-F2053 HydrophobicContact CE1-CD1 3.85Å; F2019-F2053 HydrophobicContact CE1-CD2 4.09Å; F2019-F2053 AromaticContact CE1-CE1 3.39Å; F2019-F2053 HydrophobicContact CE1-CE1 4.09Å; F2019-F2053 AromaticContact CE1-CE2 3.6Å; F2019-F2053 HydrophobicContact CE1-CE2 3.6Å; F2019-F2053 HydrophobicContact CE1-CG 4.21Å; F2019-F2053 AromaticContact CE1-CZ 3.26Å; F2019-F2053 HydrophobicContact CE1-CZ 3.82Å; F2019-F2053 HydrophobicContact CG-CE1 4.32Å; F2019-F2053 HydrophobicContact CG-CE2 4.23Å; F2019-F2053 HydrophobicContact CG-CZ 4.21Å; F2019-F2053 HydrophobicContact CZ-CE1 4.42Å; F2019-F2053 HydrophobicContact CZ-CZ 4.29Å; F2019-N2054 PolarHBondContact O-N 2.98Å; F2019-N2054 VanDerWaalsContact O-N 3.1Å; F2019-F2091 HydrophobicContact CZ-CZ 4.38Å
2020	Q	43.7	Very low	43.7	Very low	84.8 Å²	84.8	45.1 Å²	45.1	40%	0.396	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133	173	-89.5	-177.4	2.4	0	0	110.8	L1940 N1941 T1943 I2041 N2054	L1940-Q2020 WeakPolarHBondContact CA-O 3.29Å; N1941-Q2020 PolarHBondContact N-O 3.07Å; N1941-Q2020 WeakPolarHBondContact O-CB 3.36Å; T1943-Q2020 VanDerWaalsContact CG2-OE1 3.23Å; T1943-Q2020 VanDerWaalsContact OG1-CD 3.32Å; T1943-Q2020 PolarHBondContact OG1-OE1 3.11Å; Q2020-I2041 HydrophobicContact CG-CG1 4.39Å; Q2020-N2054 VanDerWaalsContact CA-O 3.27Å; Q2020-N2054 WeakPolarHBondContact CA-O 3.13Å; Q2020-N2054 HydrophobicContact CG-CB 4.15Å
2021	F	47.1	Very low	43.6	Very low	20.4 Å²	20.4	49.7 Å²	49.7	9%	0.089	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.2	-179.8	82.6	-90.3	0	0	0	113.1	F1938 Q1939 L1940 F2019 I2023 L2040 F2053 N2054 G2055 S2056 I2057	F1938-F2021 HydrophobicContact CE2-CB 4.47Å; Q1939-F2021 WeakPolarHBondContact O-CA 3.28Å; Q1939-F2021 WeakPolarHBondContact O-CD2 2.91Å; L1940-F2021 HydrophobicContact CB-CD2 4.01Å; L1940-F2021 HydrophobicContact CD1-CD2 4Å; L1940-F2021 HydrophobicContact CD2-CB 4.13Å; L1940-F2021 HydrophobicContact CG-CD2 4.25Å; F2019-F2021 HydrophobicContact CD1-CB 4.29Å; F2019-F2021 AromaticContact CD1-CD1 3.75Å; F2019-F2021 HydrophobicContact CD1-CD1 3.92Å; F2019-F2021 HydrophobicContact CD1-CE1 4.43Å; F2019-F2021 HydrophobicContact CD1-CG 4.45Å; F2019-F2021 HydrophobicContact CE1-CB 3.84Å; F2019-F2021 AromaticContact CE1-CD1 3.6Å; F2019-F2021 HydrophobicContact CE1-CD1 3.6Å; F2019-F2021 AromaticContact CE1-CE1 3.9Å; F2019-F2021 HydrophobicContact CE1-CE1 4.18Å; F2019-F2021 AromaticContact CE1-CG 3.92Å; F2019-F2021 HydrophobicContact CE1-CG 4.04Å; F2019-F2021 HydrophobicContact CE2-CB 3.55Å; F2019-F2021 HydrophobicContact CE2-CD1 4.07Å; F2019-F2021 HydrophobicContact CE2-CG 4.18Å; F2019-F2021 HydrophobicContact CZ-CB 4.02Å; F2019-F2021 VanDerWaalsContact CZ-CB 3.44Å; F2019-F2021 AromaticContact CZ-CD1 3.12Å; F2019-F2021 HydrophobicContact CZ-CD1 3.12Å; F2019-F2021 HydrophobicContact CZ-CE1 4.02Å; F2019-F2021 AromaticContact CZ-CG 3.53Å; F2019-F2021 HydrophobicContact CZ-CG 3.53Å; F2021-I2023 HydrophobicContact CD2-CD1 4.06Å; F2021-I2023 HydrophobicContact CD2-CG1 3.99Å; F2021-I2023 HydrophobicContact CE1-CD1 3.69Å; F2021-I2023 HydrophobicContact CE1-CG1 3.67Å; F2021-I2023 HydrophobicContact CE2-CD1 4.11Å; F2021-I2023 HydrophobicContact CE2-CG1 4.34Å; F2021-I2023 HydrophobicContact CZ-CD1 3.73Å; F2021-I2023 HydrophobicContact CZ-CG1 3.7Å; F2021-L2040 HydrophobicContact CB-CB 4.39Å; F2021-L2040 HydrophobicContact CD1-CD1 4.29Å; F2021-L2040 HydrophobicContact CE1-CD1 4.01Å; F2021-L2040 HydrophobicContact CE2-CD1 4.49Å; F2021-L2040 HydrophobicContact CE2-CD2 4.41Å; F2021-L2040 HydrophobicContact CZ-CD1 4.06Å; F2021-L2040 HydrophobicContact CZ-CD2 4.21Å; F2021-L2040 PolarHBondContact N-O 3.34Å; F2021-L2040 PolarHBondContact O-N 2.94Å; F2021-F2053 HydrophobicContact CD1-CE1 4.28Å; F2021-F2053 HydrophobicContact CE1-CD1 4.17Å; F2021-F2053 AromaticContact CE1-CE1 3.53Å; F2021-F2053 HydrophobicContact CE1-CE1 3.97Å; F2021-F2053 HydrophobicContact CE1-CZ 4.46Å; F2021-F2053 HydrophobicContact CZ-CE1 4.48Å; F2021-N2054 PolarHBondContact N-O 2.74Å; F2021-N2054 VanDerWaalsContact N-O 3.12Å; F2021-G2055 VanDerWaalsContact CE1-CA 3.43Å; F2021-G2055 VanDerWaalsContact CZ-CA 3.48Å; F2021-G2055 CarbonylContact O-C 3.43Å; F2021-G2055 VanDerWaalsContact O-CA 3.32Å; F2021-G2055 WeakPolarHBondContact O-CA 3.32Å; F2021-S2056 PolarHBondContact O-N 3.12Å; F2021-S2056 VanDerWaalsContact O-N 3.14Å; F2021-I2057 HydrophobicContact CE2-CG1 4.27Å
2022	S	45.1	Very low	43.3	Very low	27.4 Å²	27.4	52.9 Å²	52.9	19%	0.192	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	131.5	168.1	57	0	0	0	0	111.3	F1938 Q1939 I2038 S2056	F1938-S2022 WeakPolarHBondContact CA-O 3.41Å; Q1939-S2022 WeakPolarHBondContact CB-OG 3.34Å; Q1939-S2022 PolarHBondContact N-O 3.26Å; Q1939-S2022 VanDerWaalsContact N-O 3.15Å; Q1939-S2022 PolarHBondContact O-N 3.09Å; Q1939-S2022 VanDerWaalsContact O-N 3.07Å; Q1939-S2022 VanDerWaalsContact O-O 3.05Å; Q1939-S2022 PolarHBondContact O-OG 3.19Å; S2022-I2038 WeakPolarHBondContact CA-O 3.5Å; S2022-S2056 CarbonylContact C-O 3.48Å; S2022-S2056 VanDerWaalsContact CA-O 3.23Å; S2022-S2056 WeakPolarHBondContact CA-O 3.27Å; S2022-S2056 VanDerWaalsContact CB-OG 3.3Å; S2022-S2056 WeakPolarHBondContact CB-OG 3.2Å
2023	I	48.4	Very low	43.1	Very low	10.4 Å²	10.4	51.9 Å²	51.9	5%	0.053	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.3	177.3	-56.4	176	0	0	0	108.6	I1936 D1937 F1938 L2011 F2021 I2025 I2038 S2056 I2057 E2058	I1936-I2023 HydrophobicContact CG2-CG2 3.92Å; D1937-I2023 CarbonylContact O-C 3.42Å; D1937-I2023 VanDerWaalsContact O-CA 3.22Å; D1937-I2023 WeakPolarHBondContact O-CA 3.47Å; F1938-I2023 HydrophobicContact CB-CG1 4.26Å; F1938-I2023 HydrophobicContact CD2-CD1 4.48Å; F1938-I2023 HydrophobicContact CD2-CG1 3.89Å; F1938-I2023 HydrophobicContact CE1-CD1 4.5Å; F1938-I2023 HydrophobicContact CE1-CG1 4.01Å; F1938-I2023 HydrophobicContact CE2-CB 4.47Å; F1938-I2023 HydrophobicContact CE2-CD1 4.25Å; F1938-I2023 HydrophobicContact CE2-CG1 4.03Å; F1938-I2023 HydrophobicContact CE2-CG2 3.91Å; F1938-I2023 HydrophobicContact CZ-CB 4.36Å; F1938-I2023 HydrophobicContact CZ-CD1 3.69Å; F1938-I2023 HydrophobicContact CZ-CG1 3.5Å; F1938-I2023 VanDerWaalsContact CZ-CG1 3.5Å; F1938-I2023 HydrophobicContact CZ-CG2 4.23Å; L2011-I2023 HydrophobicContact CD1-CD1 3.93Å; L2011-I2023 HydrophobicContact CD2-CD1 4.21Å; F2021-I2023 HydrophobicContact CD2-CD1 4.06Å; F2021-I2023 HydrophobicContact CD2-CG1 3.99Å; F2021-I2023 HydrophobicContact CE1-CD1 3.69Å; F2021-I2023 HydrophobicContact CE1-CG1 3.67Å; F2021-I2023 HydrophobicContact CE2-CD1 4.11Å; F2021-I2023 HydrophobicContact CE2-CG1 4.34Å; F2021-I2023 HydrophobicContact CZ-CD1 3.73Å; F2021-I2023 HydrophobicContact CZ-CG1 3.7Å; I2023-I2025 HydrophobicContact CG2-CD1 4.32Å; I2023-I2025 HydrophobicContact CG2-CG1 4.04Å; I2023-I2038 HydrophobicContact CB-CB 4.36Å; I2023-I2038 HydrophobicContact CD1-CG2 4.25Å; I2023-I2038 PolarHBondContact N-O 2.86Å; I2023-I2038 PolarHBondContact O-N 3.39Å; I2023-I2038 VanDerWaalsContact O-O 3.11Å; I2023-S2056 PolarHBondContact N-O 2.96Å; I2023-I2057 HydrophobicContact CB-CG1 4.46Å; I2023-I2057 HydrophobicContact CB-CG2 4.45Å; I2023-I2057 HydrophobicContact CD1-CG1 4.39Å; I2023-I2057 CarbonylContact O-C 3.57Å; I2023-I2057 VanDerWaalsContact O-CA 3.24Å; I2023-I2057 WeakPolarHBondContact O-CA 3.34Å; I2023-E2058 PolarHBondContact O-N 3.13Å
2024	K	45.3	Very low	42.9	Very low	66.6 Å²	66.6	56.7 Å²	56.7	29%	0.29	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.7	177.2	-179.5	174.7	-171.5	136.7	0	110.8	I1936 D1937 I2026 D2037 E2058 L2060	I1936-K2024 VanDerWaalsContact CA-O 3.29Å; I1936-K2024 WeakPolarHBondContact CA-O 3.25Å; D1937-K2024 HydrophobicContact CB-CB 4.32Å; D1937-K2024 PolarHBondContact N-O 3.22Å; D1937-K2024 PolarHBondContact O-N 3Å; D1937-K2024 VanDerWaalsContact O-N 3.15Å; D1937-K2024 VanDerWaalsContact O-O 3.13Å; K2024-I2026 HydrophobicContact CD-CD1 4.36Å; K2024-I2026 HydrophobicContact CG-CD1 4.43Å; K2024-I2026 HydrophobicContact CG-CG1 4.23Å; K2024-D2037 WeakPolarHBondContact CB-OD1 3Å; K2024-D2037 WeakPolarHBondContact CG-OD1 3.24Å; K2024-D2037 IonicContact NZ-OD1 2.67Å; K2024-D2037 PolarHBondContact NZ-OD1 2.85Å; K2024-D2037 IonicContact NZ-OD2 2.65Å; K2024-D2037 PolarHBondContact NZ-OD2 2.71Å; K2024-E2058 CarbonylContact C-O 3.56Å; K2024-E2058 WeakPolarHBondContact CA-O 3.39Å; K2024-E2058 HydrophobicContact CB-CB 4.32Å; K2024-E2058 VanDerWaalsContact CD-OE2 3.3Å; K2024-E2058 WeakPolarHBondContact CD-OE2 3.33Å; K2024-E2058 WeakPolarHBondContact CE-OE2 3.36Å; K2024-E2058 HydrophobicContact CG-CB 4.33Å; K2024-E2058 HydrophobicContact CG-CG 4.36Å; K2024-E2058 IonicContact NZ-OE1 3.82Å; K2024-E2058 IonicContact NZ-OE2 3.1Å; K2024-E2058 PolarHBondContact NZ-OE2 2.9Å; K2024-E2058 VanDerWaalsContact NZ-OE2 3.1Å; K2024-L2060 HydrophobicContact CD-CD1 4.41Å; K2024-L2060 HydrophobicContact CG-CD1 4.26Å
2025	I	48.6	Very low	42.9	Very low	11.8 Å²	11.8	54.8 Å²	54.8	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.4	-174.2	-54.6	178.8	0	0	0	110	Y1934 H1935 I1936 I2009 I2023 P2027 I2036 I2057 E2058 I2059 L2060 I2066	Y1934-I2025 HydrophobicContact CD1-CG2 3.82Å; Y1934-I2025 HydrophobicContact CG-CG2 4.47Å; H1935-I2025 CarbonylContact O-C 3.41Å; H1935-I2025 VanDerWaalsContact O-CA 3.26Å; H1935-I2025 WeakPolarHBondContact O-CA 3.32Å; I1936-I2025 HydrophobicContact CG1-CG1 4.11Å; I1936-I2025 HydrophobicContact CG1-CG2 4.22Å; I1936-I2025 HydrophobicContact CG2-CG1 4.19Å; I2009-I2025 HydrophobicContact CD1-CD1 3.98Å; I2009-I2025 HydrophobicContact CD1-CG1 4.44Å; I2023-I2025 HydrophobicContact CG2-CD1 4.32Å; I2023-I2025 HydrophobicContact CG2-CG1 4.04Å; I2025-P2027 HydrophobicContact CG2-CG 4.34Å; I2025-P2027 VanDerWaalsContact O-CD 3.29Å; I2025-P2027 WeakPolarHBondContact O-CD 3.42Å; I2025-I2036 HydrophobicContact CB-CB 4.22Å; I2025-I2036 HydrophobicContact CD1-CD1 4.39Å; I2025-I2036 HydrophobicContact CD1-CG2 4.32Å; I2025-I2036 PolarHBondContact N-O 2.78Å; I2025-I2036 PolarHBondContact O-N 2.99Å; I2025-I2036 VanDerWaalsContact O-O 3.08Å; I2025-I2057 HydrophobicContact CD1-CG2 3.72Å; I2025-I2057 HydrophobicContact CG1-CG2 4.41Å; I2025-E2058 PolarHBondContact N-O 3.11Å; I2025-I2059 HydrophobicContact CB-CG1 4.35Å; I2025-I2059 HydrophobicContact CD1-CG1 4.42Å; I2025-I2059 WeakPolarHBondContact O-CA 3.5Å; I2025-L2060 PolarHBondContact O-N 3.13Å; I2025-L2060 VanDerWaalsContact O-N 3.11Å; I2025-I2066 HydrophobicContact CD1-CD1 4.06Å; I2025-I2066 HydrophobicContact CD1-CG2 4.16Å
2026	I	47.4	Very low	43.1	Very low	48.8 Å²	48.8	53.8 Å²	53.8	25%	0.25	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	99.4	-179.2	-48.5	176.5	0	0	0	110.6	Y1934 H1935 K2024 N2028 L2060 Y2062	Y1934-I2026 CarbonylContact C-O 3.47Å; Y1934-I2026 VanDerWaalsContact CA-O 3.27Å; Y1934-I2026 WeakPolarHBondContact CA-O 3.41Å; H1935-I2026 HydrophobicContact CB-CB 4.33Å; H1935-I2026 PolarHBondContact N-O 3.17Å; H1935-I2026 CarbonylContact O-C 3.54Å; H1935-I2026 PolarHBondContact O-N 2.95Å; H1935-I2026 VanDerWaalsContact O-O 3.09Å; K2024-I2026 HydrophobicContact CD-CD1 4.36Å; K2024-I2026 HydrophobicContact CG-CD1 4.43Å; K2024-I2026 HydrophobicContact CG-CG1 4.23Å; I2026-N2028 PolarHBondContact O-N 3.16Å; I2026-L2060 VanDerWaalsContact CA-O 3.32Å; I2026-L2060 WeakPolarHBondContact CA-O 3.47Å; I2026-L2060 HydrophobicContact CD1-CD1 4.14Å; I2026-L2060 HydrophobicContact CG1-CB 4.3Å; I2026-L2060 HydrophobicContact CG1-CD1 4.16Å; I2026-L2060 HydrophobicContact CG2-CB 4.24Å; I2026-L2060 WeakPolarHBondContact CG2-O 3.32Å; I2026-Y2062 HydrophobicContact CG2-CE2 4.32Å
2027	P	46	Very low	43.2	Very low	12.4 Å²	12.4	52.9 Å²	52.9	8%	0.081	27%	0.274	C	S	.	.			trans	-81.6	124.5	178	19.3	-18.4	0	0	0	114.2	F1933 Y1934 I2025 S2029 F2030 I2033 Q2034 L2060 P2061	F1933-P2027 CarbonylContact O-C 3.5Å; F1933-P2027 VanDerWaalsContact O-CA 3.32Å; F1933-P2027 WeakPolarHBondContact O-CA 3.04Å; Y1934-P2027 HydrophobicContact CD1-CB 3.7Å; Y1934-P2027 HydrophobicContact CE1-CB 3.81Å; I2025-P2027 HydrophobicContact CG2-CG 4.34Å; I2025-P2027 VanDerWaalsContact O-CD 3.29Å; I2025-P2027 WeakPolarHBondContact O-CD 3.42Å; P2027-S2029 VanDerWaalsContact C-N 3.29Å; P2027-S2029 PolarHBondContact O-N 2.79Å; P2027-F2030 VanDerWaalsContact CA-CD2 3.45Å; P2027-F2030 VanDerWaalsContact CA-CE2 3.49Å; P2027-F2030 HydrophobicContact CB-CD2 3.9Å; P2027-F2030 HydrophobicContact CB-CE1 4.24Å; P2027-F2030 HydrophobicContact CB-CE2 4.01Å; P2027-F2030 HydrophobicContact CB-CG 4.32Å; P2027-F2030 HydrophobicContact CB-CZ 4.23Å; P2027-F2030 HydrophobicContact CG-CD1 4.31Å; P2027-F2030 HydrophobicContact CG-CD2 3.97Å; P2027-F2030 HydrophobicContact CG-CE1 3.75Å; P2027-F2030 HydrophobicContact CG-CE2 3.54Å; P2027-F2030 HydrophobicContact CG-CG 4.27Å; P2027-F2030 HydrophobicContact CG-CZ 3.23Å; P2027-I2033 HydrophobicContact CG-CG2 4.45Å; P2027-Q2034 WeakPolarHBondContact CD-O 3.24Å; P2027-L2060 VanDerWaalsContact CD-O 3.29Å; P2027-L2060 WeakPolarHBondContact CD-O 3.37Å; P2027-P2061 HydrophobicContact CG-CB 4.31Å
2028	N	43	Very low	43.5	Very low	107.2 Å²	107.2	50 Å²	50	57%	0.573	26%	0.258	S	S	*	.	S	Bend	trans	-82.1	-19.5	178.4	-76	-2.9	0	0	0	114.8	F1933 I2026 E2581	F1933-N2028 PolarHBondContact O-N 3.16Å; I2026-N2028 PolarHBondContact O-N 3.16Å; N2028-E2581 PolarHBondContact ND2-OE1 2.69Å
2029	S	39.3	Very low	43.7	Very low	54 Å²	54	49.3 Å²	49.3	38%	0.378	25%	0.253	S	S	.	.			trans	-155.4	105.8	175.2	70.5	0	0	0	0	113.2	F1933 Y1934 P2027 I2031	F1933-S2029 VanDerWaalsContact CD1-OG 3.27Å; F1933-S2029 WeakPolarHBondContact CD1-OG 3.3Å; F1933-S2029 WeakPolarHBondContact CE1-OG 3.1Å; Y1934-S2029 WeakPolarHBondContact CE1-O 3.25Å; Y1934-S2029 PolarHBondContact OH-O 3.07Å; P2027-S2029 VanDerWaalsContact C-N 3.29Å; P2027-S2029 PolarHBondContact O-N 2.79Å; S2029-I2031 PolarHBondContact O-N 3.02Å
2030	F	41.6	Very low	43.8	Very low	34.8 Å²	34.8	49.4 Å²	49.4	15%	0.153	25%	0.254	C	S	.	.			trans	-104.7	42.4	-177.2	-84.6	-64.7	0	0	0	113.3	Y1934 P2027 N2032 I2033 I2059 P2061 Y2062 L2063 I2066 T2068	Y1934-F2030 HydrophobicContact CD1-CE1 4.18Å; Y1934-F2030 AromaticContact CD1-CE2 3.82Å; Y1934-F2030 HydrophobicContact CD1-CE2 3.82Å; Y1934-F2030 AromaticContact CD1-CZ 3.52Å; Y1934-F2030 HydrophobicContact CD1-CZ 3.52Å; Y1934-F2030 HydrophobicContact CE1-CD1 4.19Å; Y1934-F2030 HydrophobicContact CE1-CD2 4.3Å; Y1934-F2030 AromaticContact CE1-CE1 3.38Å; Y1934-F2030 HydrophobicContact CE1-CE1 3.38Å; Y1934-F2030 AromaticContact CE1-CE2 3.63Å; Y1934-F2030 HydrophobicContact CE1-CE2 3.95Å; Y1934-F2030 AromaticContact CE1-CZ 3.18Å; Y1934-F2030 HydrophobicContact CE1-CZ 3.18Å; Y1934-F2030 AromaticContact CZ-CE2 3.84Å; Y1934-F2030 WeakPolarHBondContact OH-CE2 3.45Å; P2027-F2030 VanDerWaalsContact CA-CD2 3.45Å; P2027-F2030 VanDerWaalsContact CA-CE2 3.49Å; P2027-F2030 HydrophobicContact CB-CD2 3.9Å; P2027-F2030 HydrophobicContact CB-CE1 4.24Å; P2027-F2030 HydrophobicContact CB-CE2 4.01Å; P2027-F2030 HydrophobicContact CB-CG 4.32Å; P2027-F2030 HydrophobicContact CB-CZ 4.23Å; P2027-F2030 HydrophobicContact CG-CD1 4.31Å; P2027-F2030 HydrophobicContact CG-CD2 3.97Å; P2027-F2030 HydrophobicContact CG-CE1 3.75Å; P2027-F2030 HydrophobicContact CG-CE2 3.54Å; P2027-F2030 HydrophobicContact CG-CG 4.27Å; P2027-F2030 HydrophobicContact CG-CZ 3.23Å; F2030-N2032 PolarHBondContact O-N 3.27Å; F2030-I2033 HydrophobicContact CB-CB 4.29Å; F2030-I2033 HydrophobicContact CD1-CB 4.37Å; F2030-I2033 HydrophobicContact CD1-CD1 3.91Å; F2030-I2033 VanDerWaalsContact CD1-CD1 3.41Å; F2030-I2033 HydrophobicContact CD1-CG1 3.49Å; F2030-I2033 VanDerWaalsContact CD1-CG1 3.49Å; F2030-I2033 HydrophobicContact CE1-CD1 3.73Å; F2030-I2033 HydrophobicContact CE1-CG1 3.53Å; F2030-I2033 HydrophobicContact CG-CD1 4.42Å; F2030-I2033 HydrophobicContact CZ-CD1 3.64Å; F2030-I2033 PolarHBondContact O-N 3.4Å; F2030-I2059 HydrophobicContact CZ-CG2 4.15Å; F2030-P2061 HydrophobicContact CE2-CG 4.01Å; F2030-P2061 WeakPolarHBondContact CE2-O 3.35Å; F2030-Y2062 HydrophobicContact CD1-CE1 4.03Å; F2030-Y2062 HydrophobicContact CE1-CD1 4.49Å; F2030-Y2062 AromaticContact CE1-CE1 3.35Å; F2030-Y2062 HydrophobicContact CE1-CE1 3.35Å; F2030-Y2062 AromaticContact CE1-CZ 3.66Å; F2030-Y2062 VanDerWaalsContact CE1-OH 3.23Å; F2030-Y2062 WeakPolarHBondContact CE1-OH 3.07Å; F2030-Y2062 HydrophobicContact CE2-CE1 4.23Å; F2030-Y2062 HydrophobicContact CZ-CD1 4.33Å; F2030-Y2062 AromaticContact CZ-CE1 3.47Å; F2030-Y2062 HydrophobicContact CZ-CE1 3.47Å; F2030-Y2062 VanDerWaalsContact CZ-CE1 3.47Å; F2030-Y2062 AromaticContact CZ-CZ 3.82Å; F2030-L2063 HydrophobicContact CB-CD1 4.18Å; F2030-L2063 HydrophobicContact CD2-CD1 3.73Å; F2030-L2063 HydrophobicContact CE2-CD1 4.32Å; F2030-L2063 HydrophobicContact CG-CD1 3.89Å; F2030-I2066 HydrophobicContact CB-CD1 3.38Å; F2030-I2066 HydrophobicContact CB-CG1 3.76Å; F2030-I2066 HydrophobicContact CB-CG2 4.46Å; F2030-I2066 HydrophobicContact CD1-CD1 3.57Å; F2030-I2066 HydrophobicContact CD1-CG1 4.21Å; F2030-I2066 HydrophobicContact CD1-CG2 4Å; F2030-I2066 HydrophobicContact CD2-CD1 4.15Å; F2030-I2066 HydrophobicContact CE1-CD1 3.28Å; F2030-I2066 HydrophobicContact CE1-CG1 4.31Å; F2030-I2066 HydrophobicContact CE1-CG2 4.47Å; F2030-I2066 HydrophobicContact CE2-CD1 4.06Å; F2030-I2066 HydrophobicContact CG-CD1 3.87Å; F2030-I2066 HydrophobicContact CG-CG1 4.34Å; F2030-I2066 HydrophobicContact CG-CG2 4.44Å; F2030-I2066 HydrophobicContact CZ-CD1 3.8Å; F2030-T2068 HydrophobicContact CE1-CG2 4.28Å
2031	I	38.6	Very low	43.7	Very low	150.6 Å²	150.6	47.8 Å²	47.8	77%	0.772	25%	0.247	S	C	*	.	S	Bend	trans	-64.6	-20.5	-168.6	-65.4	174.1	0	0	0	112.9	S2029	S2029-I2031 PolarHBondContact O-N 3.02Å
2032	N	36.6	Very low	43.4	Very low	93.8 Å²	93.8	47.7 Å²	47.7	50%	0.502	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139	31.8	-178.5	-68.1	-46.8	0	0	0	114.9	N2005 F2030 N2099 T2100 N2101	N2005-N2032 WeakPolarHBondContact CA-O 3.17Å; N2005-N2032 HydrophobicContact CB-CB 4.41Å; N2005-N2032 WeakPolarHBondContact CB-O 3.26Å; N2005-N2032 VanDerWaalsContact CG-C 3.48Å; N2005-N2032 VanDerWaalsContact CG-O 3.26Å; N2005-N2032 WeakPolarHBondContact ND2-CB 3.38Å; N2005-N2032 PolarHBondContact ND2-O 2.74Å; N2005-N2032 PolarHBondContact OD1-O 3.06Å; N2005-N2032 VanDerWaalsContact OD1-O 3.09Å; F2030-N2032 PolarHBondContact O-N 3.27Å; N2032-N2099 WeakPolarHBondContact CB-OD1 3.33Å; N2032-N2099 CarbonylContact O-C 2.78Å; N2032-N2099 VanDerWaalsContact O-C 3.32Å; N2032-N2099 WeakPolarHBondContact O-CA 3.39Å; N2032-N2099 PolarHBondContact O-OD1 2.83Å; N2032-N2099 VanDerWaalsContact O-OD1 3.14Å; N2032-T2100 WeakPolarHBondContact CA-OG1 3.2Å; N2032-T2100 WeakPolarHBondContact CB-OG1 2.86Å; N2032-T2100 PolarHBondContact O-N 2.57Å; N2032-T2100 PolarHBondContact O-OG1 2.91Å; N2032-T2100 PolarHBondContact OD1-OG1 3.06Å; N2032-N2101 HydrophobicContact CB-CB 4.32Å; N2032-N2101 WeakPolarHBondContact OD1-CB 3.36Å; N2032-N2101 PolarHBondContact OD1-N 2.6Å
2033	I	39.8	Very low	43.1	Very low	35.8 Å²	35.8	50 Å²	50	18%	0.184	26%	0.258	C	S	.	.			trans	-108	132.3	175.4	-64.7	178.6	0	0	0	110.1	Y1934 N2005 P2027 F2030 I2036 L2063 I2066 L2067 T2068 I2097 Q2098 N2099	Y1934-I2033 HydrophobicContact CE1-CD1 3.91Å; Y1934-I2033 HydrophobicContact CE2-CD1 4.06Å; Y1934-I2033 VanDerWaalsContact OH-CD1 3.23Å; Y1934-I2033 WeakPolarHBondContact OH-CD1 3.48Å; N2005-I2033 CarbonylContact O-C 3.43Å; N2005-I2033 WeakPolarHBondContact O-CA 3.18Å; P2027-I2033 HydrophobicContact CG-CG2 4.45Å; F2030-I2033 HydrophobicContact CB-CB 4.29Å; F2030-I2033 HydrophobicContact CD1-CB 4.37Å; F2030-I2033 HydrophobicContact CD1-CD1 3.91Å; F2030-I2033 VanDerWaalsContact CD1-CD1 3.41Å; F2030-I2033 HydrophobicContact CD1-CG1 3.49Å; F2030-I2033 VanDerWaalsContact CD1-CG1 3.49Å; F2030-I2033 HydrophobicContact CE1-CD1 3.73Å; F2030-I2033 HydrophobicContact CE1-CG1 3.53Å; F2030-I2033 HydrophobicContact CG-CD1 4.42Å; F2030-I2033 HydrophobicContact CZ-CD1 3.64Å; F2030-I2033 PolarHBondContact O-N 3.4Å; I2033-I2036 HydrophobicContact CG2-CG1 4.29Å; I2033-L2063 HydrophobicContact CD1-CD2 4.26Å; I2033-L2063 HydrophobicContact CG2-CD2 4.46Å; I2033-I2066 WeakPolarHBondContact O-CG2 3.27Å; I2033-L2067 CarbonylContact C-O 3.6Å; I2033-T2068 HydrophobicContact CB-CG2 4.46Å; I2033-T2068 HydrophobicContact CG2-CG2 4.13Å; I2033-I2097 HydrophobicContact CG2-CG2 4.37Å; I2033-Q2098 WeakPolarHBondContact CA-O 3.41Å; I2033-N2099 HydrophobicContact CG1-CB 4.41Å; I2033-N2099 WeakPolarHBondContact CG1-OD1 3.46Å
2034	Q	39.9	Very low	42.5	Very low	119.6 Å²	119.6	51.7 Å²	51.7	56%	0.559	27%	0.267	S	S	*	.			trans	-109.8	-27.3	-178	-71.2	-175.9	-13.9	0	0	114.7	N2005 P2027 L2067 T2068 F2069 Q2098	N2005-Q2034 HydrophobicContact CB-CB 3.98Å; N2005-Q2034 HydrophobicContact CB-CG 4.02Å; N2005-Q2034 PolarHBondContact ND2-NE2 3.44Å; N2005-Q2034 VanDerWaalsContact ND2-NE2 3.17Å; N2005-Q2034 PolarHBondContact O-N 3.02Å; P2027-Q2034 WeakPolarHBondContact CD-O 3.24Å; Q2034-L2067 CarbonylContact C-O 3.58Å; Q2034-L2067 VanDerWaalsContact CA-O 3.26Å; Q2034-L2067 WeakPolarHBondContact CA-O 3.29Å; Q2034-L2067 VanDerWaalsContact O-O 3.12Å; Q2034-T2068 WeakPolarHBondContact O-CA 3.35Å; Q2034-F2069 VanDerWaalsContact O-CB 3.27Å; Q2034-F2069 WeakPolarHBondContact O-CB 3.26Å; Q2034-F2069 WeakPolarHBondContact O-CG 3.32Å; Q2034-F2069 PolarHBondContact O-N 3.16Å; Q2034-Q2098 PolarHBondContact N-O 2.73Å
2035	L	41.5	Very low	42	Very low	40.6 Å²	40.6	53.2 Å²	53.2	21%	0.213	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	142.3	-174	-164.3	139.4	0	0	0	112.2	N2005 I2006 S2007 D2037 F2069 I2071 I2097	N2005-L2035 PolarHBondContact O-N 2.84Å; N2005-L2035 VanDerWaalsContact O-N 3.17Å; I2006-L2035 CarbonylContact C-O 3.47Å; I2006-L2035 WeakPolarHBondContact CA-O 3.24Å; I2006-L2035 HydrophobicContact CB-CB 4.38Å; I2006-L2035 HydrophobicContact CG1-CB 4.22Å; I2006-L2035 HydrophobicContact CG2-CB 4.25Å; I2006-L2035 HydrophobicContact CG2-CD2 3.9Å; S2007-L2035 PolarHBondContact N-O 3.06Å; L2035-D2037 HydrophobicContact CD2-CB 3.86Å; L2035-F2069 WeakPolarHBondContact CA-O 3.35Å; L2035-F2069 HydrophobicContact CB-CB 4.36Å; L2035-F2069 HydrophobicContact CD1-CB 4.09Å; L2035-F2069 HydrophobicContact CD1-CD1 4.31Å; L2035-F2069 HydrophobicContact CD1-CD2 3.91Å; L2035-F2069 HydrophobicContact CD1-CG 4.4Å; L2035-F2069 HydrophobicContact CD2-CB 4.2Å; L2035-F2069 HydrophobicContact CG-CB 4.05Å; L2035-I2071 HydrophobicContact CD1-CD1 4.14Å; L2035-I2071 HydrophobicContact CD2-CD1 4.24Å; L2035-I2071 HydrophobicContact CD2-CG1 4.45Å; L2035-I2071 HydrophobicContact CG-CD1 4.48Å; L2035-I2097 WeakPolarHBondContact O-CA 3.22Å
2036	I	44	Very low	41.3	Very low	9.4 Å²	9.4	56.4 Å²	56.4	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.1	170	-55	173.9	0	0	0	107.9	S2007 I2009 I2025 I2033 I2038 L2063 I2066 T2068 F2069 I2070 I2071 I2095 L2096 I2097	S2007-I2036 CarbonylContact O-C 3.36Å; S2007-I2036 VanDerWaalsContact O-CA 3.3Å; S2007-I2036 WeakPolarHBondContact O-CA 3.33Å; I2009-I2036 HydrophobicContact CD1-CG2 4.23Å; I2025-I2036 HydrophobicContact CB-CB 4.22Å; I2025-I2036 HydrophobicContact CD1-CD1 4.39Å; I2025-I2036 HydrophobicContact CD1-CG2 4.32Å; I2025-I2036 PolarHBondContact N-O 2.78Å; I2025-I2036 PolarHBondContact O-N 2.99Å; I2025-I2036 VanDerWaalsContact O-O 3.08Å; I2033-I2036 HydrophobicContact CG2-CG1 4.29Å; I2036-I2038 HydrophobicContact CG2-CD1 4.27Å; I2036-I2038 HydrophobicContact CG2-CG1 4.03Å; I2036-L2063 HydrophobicContact CD1-CD1 3.82Å; I2036-L2063 HydrophobicContact CD1-CD2 4.23Å; I2036-L2063 HydrophobicContact CD1-CG 3.75Å; I2036-I2066 HydrophobicContact CD1-CD1 3.73Å; I2036-T2068 HydrophobicContact CD1-CG2 3.83Å; I2036-T2068 HydrophobicContact CG1-CG2 4.08Å; I2036-F2069 CarbonylContact C-O 3.56Å; I2036-F2069 PolarHBondContact N-O 2.9Å; I2036-F2069 VanDerWaalsContact N-O 3.14Å; I2036-I2070 WeakPolarHBondContact O-CA 3.34Å; I2036-I2071 PolarHBondContact O-N 3.12Å; I2036-I2095 HydrophobicContact CG2-CG2 4.35Å; I2036-L2096 WeakPolarHBondContact CA-O 3.18Å; I2036-I2097 HydrophobicContact CB-CG1 4.47Å; I2036-I2097 HydrophobicContact CD1-CD1 4.41Å; I2036-I2097 HydrophobicContact CG1-CD1 4.32Å; I2036-I2097 HydrophobicContact CG1-CG1 4.12Å; I2036-I2097 HydrophobicContact CG2-CD1 4.35Å; I2036-I2097 HydrophobicContact CG2-CG1 4.07Å
2037	D	44.5	Very low	40.4	Very low	24.2 Å²	24.2	62.4 Å²	62.4	13%	0.129	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.3	175.9	-153.9	-0.1	0	0	0	109.7	S2007 N2008 I2009 K2024 L2035 Q2039 H2073 I2095	S2007-D2037 PolarHBondContact O-N 3.12Å; S2007-D2037 VanDerWaalsContact O-N 3.08Å; N2008-D2037 CarbonylContact C-O 3.43Å; N2008-D2037 WeakPolarHBondContact CA-O 3.16Å; N2008-D2037 HydrophobicContact CB-CB 4.48Å; N2008-D2037 PolarHBondContact ND2-OD2 2.84Å; N2008-D2037 WeakPolarHBondContact OD1-CB 3.42Å; I2009-D2037 PolarHBondContact N-O 2.89Å; K2024-D2037 WeakPolarHBondContact CB-OD1 3Å; K2024-D2037 WeakPolarHBondContact CG-OD1 3.24Å; K2024-D2037 IonicContact NZ-OD1 2.67Å; K2024-D2037 PolarHBondContact NZ-OD1 2.85Å; K2024-D2037 IonicContact NZ-OD2 2.65Å; K2024-D2037 PolarHBondContact NZ-OD2 2.71Å; L2035-D2037 HydrophobicContact CD2-CB 3.86Å; D2037-Q2039 PolarHBondContact OD2-NE2 3.21Å; D2037-H2073 IonicContact OD1-CD2 3.41Å; D2037-H2073 PolarHBondContact OD1-CD2 3.1Å; D2037-H2073 IonicContact OD1-NE2 3.21Å; D2037-I2095 WeakPolarHBondContact O-CA 3.04Å
2038	I	45.8	Very low	39.5	Very low	7 Å²	7	68.5 Å²	68.5	4%	0.036	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	114.5	-178.3	-51.9	-179.5	0	0	0	109.9	I2009 L2011 S2022 I2023 I2036 I2057 I2066 I2070 I2071 I2072 H2073 L2094 I2095	I2009-I2038 HydrophobicContact CB-CG1 4.4Å; I2009-I2038 HydrophobicContact CD1-CG1 4.4Å; I2009-I2038 CarbonylContact O-C 3.44Å; I2009-I2038 VanDerWaalsContact O-CA 3.23Å; I2009-I2038 WeakPolarHBondContact O-CA 3.41Å; L2011-I2038 HydrophobicContact CD1-CG2 4.34Å; S2022-I2038 WeakPolarHBondContact CA-O 3.5Å; I2023-I2038 HydrophobicContact CB-CB 4.36Å; I2023-I2038 HydrophobicContact CD1-CG2 4.25Å; I2023-I2038 PolarHBondContact N-O 2.86Å; I2023-I2038 PolarHBondContact O-N 3.39Å; I2023-I2038 VanDerWaalsContact O-O 3.11Å; I2036-I2038 HydrophobicContact CG2-CD1 4.27Å; I2036-I2038 HydrophobicContact CG2-CG1 4.03Å; I2038-I2057 HydrophobicContact CD1-CD1 3.99Å; I2038-I2057 HydrophobicContact CD1-CG2 4.21Å; I2038-I2057 HydrophobicContact CG2-CD1 4.41Å; I2038-I2066 HydrophobicContact CD1-CG2 3.76Å; I2038-I2070 HydrophobicContact CD1-CG2 4.37Å; I2038-I2070 HydrophobicContact CG2-CD1 3.92Å; I2038-I2071 CarbonylContact C-O 3.45Å; I2038-I2071 PolarHBondContact N-O 3.09Å; I2038-I2071 VanDerWaalsContact O-O 3.08Å; I2038-I2072 HydrophobicContact CB-CG1 4.31Å; I2038-I2072 WeakPolarHBondContact O-CA 3.12Å; I2038-H2073 PolarHBondContact O-N 3.11Å; I2038-L2094 WeakPolarHBondContact CA-O 3.42Å; I2038-I2095 HydrophobicContact CB-CG1 4.48Å; I2038-I2095 HydrophobicContact CG1-CD1 4.39Å; I2038-I2095 HydrophobicContact CG1-CG1 4.18Å; I2038-I2095 HydrophobicContact CG2-CD1 4.33Å; I2038-I2095 HydrophobicContact CG2-CG1 4.17Å
2039	Q	46	Very low	38.9	Very low	60 Å²	60	67.5 Å²	67.5	28%	0.28	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.4	179.6	-56.4	-166.5	3.7	0	0	112	I2009 D2010 L2011 D2037 I2041 H2073 C2093 L2094	I2009-Q2039 PolarHBondContact O-N 3.02Å; I2009-Q2039 VanDerWaalsContact O-N 3.13Å; D2010-Q2039 CarbonylContact C-O 3.58Å; D2010-Q2039 WeakPolarHBondContact CA-O 3.33Å; D2010-Q2039 HydrophobicContact CB-CB 4.32Å; D2010-Q2039 WeakPolarHBondContact OD1-CB 3.29Å; D2010-Q2039 WeakPolarHBondContact OD1-CG 3.39Å; L2011-Q2039 PolarHBondContact N-O 3.16Å; D2037-Q2039 PolarHBondContact OD2-NE2 3.21Å; Q2039-I2041 HydrophobicContact CB-CD1 4.44Å; Q2039-I2041 HydrophobicContact CB-CG1 4.35Å; Q2039-H2073 HydrophobicContact CG-CB 4.5Å; Q2039-C2093 WeakPolarHBondContact O-CA 3.42Å; Q2039-L2094 PolarHBondContact N-O 3.04Å
2040	L	47.2	Very low	38.5	Very low	18.2 Å²	18.2	69.3 Å²	69.3	10%	0.095	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.4	175.2	-70.5	169.2	0	0	0	110	L2011 F2021 H2073 I2075 F2091 C2093	L2011-L2040 HydrophobicContact CB-CD2 4.05Å; L2011-L2040 HydrophobicContact CD1-CD2 3.98Å; L2011-L2040 HydrophobicContact CD2-CD2 4.03Å; L2011-L2040 HydrophobicContact CG-CD2 4.46Å; L2011-L2040 CarbonylContact O-C 3.56Å; L2011-L2040 WeakPolarHBondContact O-CA 3.25Å; F2021-L2040 HydrophobicContact CB-CB 4.39Å; F2021-L2040 HydrophobicContact CD1-CD1 4.29Å; F2021-L2040 HydrophobicContact CE1-CD1 4.01Å; F2021-L2040 HydrophobicContact CE2-CD1 4.49Å; F2021-L2040 HydrophobicContact CE2-CD2 4.41Å; F2021-L2040 HydrophobicContact CZ-CD1 4.06Å; F2021-L2040 HydrophobicContact CZ-CD2 4.21Å; F2021-L2040 PolarHBondContact N-O 3.34Å; F2021-L2040 PolarHBondContact O-N 2.94Å; L2040-H2073 PolarHBondContact N-O 2.95Å; L2040-I2075 HydrophobicContact CB-CG1 4.31Å; L2040-I2075 WeakPolarHBondContact O-CA 3.26Å; L2040-I2075 PolarHBondContact O-N 2.87Å; L2040-F2091 HydrophobicContact CD1-CE2 3.77Å; L2040-F2091 HydrophobicContact CD1-CZ 3.94Å; L2040-F2091 HydrophobicContact CD2-CD1 4.05Å; L2040-F2091 HydrophobicContact CD2-CE1 4.2Å; L2040-C2093 HydrophobicContact CD2-CB 3.83Å
2041	I	42.9	Very low	38.1	Very low	50.8 Å²	50.8	71.4 Å²	71.4	26%	0.261	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.5	-176.5	-55.6	175.9	0	0	0	109.5	D2010 L2011 Q2012 L2013 Q2020 Q2039 N2043 F2091	D2010-I2041 HydrophobicContact CB-CD1 4.45Å; L2011-I2041 PolarHBondContact O-N 3.27Å; L2011-I2041 VanDerWaalsContact O-N 3.13Å; Q2012-I2041 CarbonylContact C-O 3.58Å; Q2012-I2041 WeakPolarHBondContact CA-O 3.38Å; Q2012-I2041 HydrophobicContact CB-CB 4.39Å; Q2012-I2041 HydrophobicContact CG-CB 4.25Å; Q2012-I2041 HydrophobicContact CG-CG2 4.17Å; L2013-I2041 PolarHBondContact N-O 3.24Å; Q2020-I2041 HydrophobicContact CG-CG1 4.39Å; Q2039-I2041 HydrophobicContact CB-CD1 4.44Å; Q2039-I2041 HydrophobicContact CB-CG1 4.35Å; I2041-N2043 VanDerWaalsContact CG2-OD1 3.27Å; I2041-N2043 WeakPolarHBondContact CG2-OD1 3.33Å; I2041-F2091 WeakPolarHBondContact O-CD1 3.14Å
2042	N	40.9	Very low	37.9	Very low	17.4 Å²	17.4	69.1 Å²	69.1	9%	0.093	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.3	179.6	-168.7	13.3	0	0	0	111.2	L2013 N2018 F2019 L2044 W2051 F2053 I2075 F2091	L2013-N2042 WeakPolarHBondContact O-CA 3.13Å; L2013-N2042 PolarHBondContact O-OD1 2.95Å; N2018-N2042 WeakPolarHBondContact CA-O 3.24Å; F2019-N2042 HydrophobicContact CD1-CB 4.24Å; F2019-N2042 HydrophobicContact CE1-CB 3.97Å; F2019-N2042 WeakPolarHBondContact CE1-ND2 3.32Å; F2019-N2042 HydrophobicContact CZ-CB 4.24Å; F2019-N2042 PolarHBondContact N-O 2.85Å; F2019-N2042 PolarHBondContact O-N 2.73Å; F2019-N2042 VanDerWaalsContact O-N 3.15Å; N2042-L2044 PolarHBondContact O-N 3.16Å; N2042-L2044 WeakPolarHBondContact OD1-CD1 3.39Å; N2042-L2044 PolarHBondContact OD1-N 2.83Å; N2042-W2051 HydrophobicContact CB-CZ3 4.45Å; N2042-W2051 VanDerWaalsContact ND2-CH2 3.31Å; N2042-W2051 WeakPolarHBondContact ND2-CH2 3.37Å; N2042-W2051 VanDerWaalsContact ND2-CZ3 3.27Å; N2042-W2051 WeakPolarHBondContact ND2-CZ3 3.29Å; N2042-W2051 WeakPolarHBondContact OD1-CH2 3.2Å; N2042-F2053 HydrophobicContact CB-CE2 4.41Å; N2042-F2053 HydrophobicContact CB-CZ 4.48Å; N2042-F2053 VanDerWaalsContact ND2-CE2 3.29Å; N2042-F2053 WeakPolarHBondContact ND2-CE2 3.49Å; N2042-I2075 HydrophobicContact CB-CG1 4.5Å; N2042-I2075 HydrophobicContact CB-CG2 3.74Å; N2042-F2091 HydrophobicContact CB-CD2 4.42Å; N2042-F2091 HydrophobicContact CB-CE1 4.32Å; N2042-F2091 HydrophobicContact CB-CE2 3.7Å; N2042-F2091 HydrophobicContact CB-CZ 3.65Å
2043	N	37.4	Very low	38	Very low	77 Å²	77	67.5 Å²	67.5	41%	0.412	34%	0.341	S	S	.	.			trans	-110.2	51	-174.7	-72.8	23.7	0	0	0	112.1	Q2012 L2013 K2014 I2041 D2078	Q2012-N2043 PolarHBondContact NE2-OD1 3.32Å; L2013-N2043 PolarHBondContact O-N 3.27Å; L2013-N2043 VanDerWaalsContact O-N 3.16Å; K2014-N2043 HydrophobicContact CG-CB 4.2Å; I2041-N2043 VanDerWaalsContact CG2-OD1 3.27Å; I2041-N2043 WeakPolarHBondContact CG2-OD1 3.33Å; N2043-D2078 PolarHBondContact ND2-OD2 3.19Å
2044	L	36.3	Very low	38.1	Very low	44.8 Å²	44.8	68.9 Å²	68.9	24%	0.235	35%	0.349	C	S	.	.			trans	-110.6	134	-178.2	-88.3	163.8	0	0	0	112.8	G2015 F2016 N2042 I2046 W2051	G2015-L2044 VanDerWaalsContact CA-CD2 3.48Å; G2015-L2044 VanDerWaalsContact N-CD1 3.33Å; G2015-L2044 VanDerWaalsContact N-CD2 3.33Å; F2016-L2044 VanDerWaalsContact N-CD1 3.26Å; F2016-L2044 VanDerWaalsContact O-CD1 3.3Å; F2016-L2044 WeakPolarHBondContact O-CD1 3.37Å; N2042-L2044 PolarHBondContact O-N 3.16Å; N2042-L2044 WeakPolarHBondContact OD1-CD1 3.39Å; N2042-L2044 PolarHBondContact OD1-N 2.83Å; L2044-I2046 HydrophobicContact CD1-CD1 4.31Å; L2044-I2046 HydrophobicContact CD2-CD1 4.43Å; L2044-I2046 HydrophobicContact CD2-CG1 4.48Å; L2044-I2046 PolarHBondContact O-N 3.18Å; L2044-W2051 HydrophobicContact CB-CH2 3.77Å; L2044-W2051 HydrophobicContact CB-CZ2 3.84Å; L2044-W2051 HydrophobicContact CB-CZ3 3.95Å; L2044-W2051 HydrophobicContact CD1-CH2 3.6Å; L2044-W2051 HydrophobicContact CD1-CZ2 3.8Å; L2044-W2051 HydrophobicContact CD1-CZ3 3.96Å; L2044-W2051 VanDerWaalsContact CD1-CZ3 3.44Å; L2044-W2051 HydrophobicContact CD2-CH2 3.83Å; L2044-W2051 HydrophobicContact CG-CH2 3.99Å; L2044-W2051 HydrophobicContact CG-CZ2 4.41Å; L2044-W2051 HydrophobicContact CG-CZ3 4.15Å
2045	S	35.5	Very low	38.1	Very low	99.2 Å²	99.2	64.1 Å²	64.1	69%	0.694	33%	0.331	S	S	*	.			trans	-85	120	173.3	54.1	0	0	0	0	110.8	N2017 K2047	N2017-S2045 VanDerWaalsContact CG-CB 3.48Å; N2017-S2045 WeakPolarHBondContact OD1-CA 3.07Å; N2017-S2045 WeakPolarHBondContact OD1-CB 2.93Å; S2045-K2047 PolarHBondContact O-N 3.06Å
2046	I	32.8	Very low	38.3	Very low	78.4 Å²	78.4	64.4 Å²	64.4	40%	0.402	34%	0.337	S	S	.	.			trans	-88.1	108.9	-176.7	-56.9	171.1	0	0	0	110.2	L2044 I2049 W2051 L2079 V2086	L2044-I2046 HydrophobicContact CD1-CD1 4.31Å; L2044-I2046 HydrophobicContact CD2-CD1 4.43Å; L2044-I2046 HydrophobicContact CD2-CG1 4.48Å; L2044-I2046 PolarHBondContact O-N 3.18Å; I2046-I2049 HydrophobicContact CB-CD1 4.04Å; I2046-I2049 HydrophobicContact CD1-CD1 3.98Å; I2046-I2049 HydrophobicContact CG2-CD1 3.78Å; I2046-I2049 HydrophobicContact CG2-CG1 3.93Å; I2046-W2051 HydrophobicContact CD1-CD2 3.81Å; I2046-W2051 HydrophobicContact CD1-CE3 4.25Å; I2046-W2051 HydrophobicContact CD1-CG 4.44Å; I2046-W2051 HydrophobicContact CD1-CH2 3.85Å; I2046-W2051 HydrophobicContact CD1-CZ2 3.4Å; I2046-W2051 VanDerWaalsContact CD1-CZ2 3.4Å; I2046-W2051 HydrophobicContact CD1-CZ3 4.24Å; I2046-W2051 HydrophobicContact CG1-CD2 4.42Å; I2046-W2051 VanDerWaalsContact CG1-CE2 3.43Å; I2046-W2051 HydrophobicContact CG1-CH2 3.94Å; I2046-W2051 HydrophobicContact CG1-CZ2 3.19Å; I2046-L2079 HydrophobicContact CD1-CD1 4.34Å; I2046-L2079 HydrophobicContact CD1-CD2 4.11Å; I2046-V2086 HydrophobicContact CB-CG2 4.27Å; I2046-V2086 HydrophobicContact CD1-CG1 4.41Å; I2046-V2086 HydrophobicContact CD1-CG2 4.36Å; I2046-V2086 HydrophobicContact CG2-CG1 3.97Å; I2046-V2086 HydrophobicContact CG2-CG2 3.73Å
2047	K	29.1	Very low	38.3	Very low	174.4 Å²	174.4	65.5 Å²	65.5	76%	0.758	34%	0.343	S	S	*	.	S	Bend	trans	-120.9	107	160.9	-76.7	-171.1	175.5	179.2	0	110.7	S2045 I2049	S2045-K2047 PolarHBondContact O-N 3.06Å; K2047-I2049 WeakPolarHBondContact O-CG1 3.32Å; K2047-I2049 PolarHBondContact O-N 3.1Å; K2047-I2049 VanDerWaalsContact O-N 3.13Å
2048	D	27.3	Very low	38.2	Very low	142.2 Å²	142.2	67 Å²	67	76%	0.76	35%	0.349	S	S	*	.	S	Bend	trans	69.9	52.4	165.6	-54.3	-39.5	0	0	0	118.7	K2014	K2014-D2048 VanDerWaalsContact CE-OD1 3.27Å; K2014-D2048 WeakPolarHBondContact CE-OD1 3.31Å; K2014-D2048 IonicContact NZ-OD1 3.78Å
2049	I	30.1	Very low	38.2	Very low	86.2 Å²	86.2	68.1 Å²	68.1	44%	0.442	36%	0.355	S	S	.	.			trans	-131.8	131	172.3	-54.3	168.3	0	0	0	112.6	N2017 I2046 K2047 W2051	N2017-I2049 HydrophobicContact CB-CD1 4.33Å; N2017-I2049 HydrophobicContact CB-CG2 3.96Å; N2017-I2049 VanDerWaalsContact CG-CD1 3.42Å; N2017-I2049 VanDerWaalsContact ND2-CD1 3.32Å; N2017-I2049 WeakPolarHBondContact ND2-CD1 3.45Å; N2017-I2049 VanDerWaalsContact OD1-CB 3.27Å; N2017-I2049 WeakPolarHBondContact OD1-CB 3.49Å; N2017-I2049 WeakPolarHBondContact OD1-CD1 3.39Å; N2017-I2049 WeakPolarHBondContact OD1-CG2 3.43Å; I2046-I2049 HydrophobicContact CB-CD1 4.04Å; I2046-I2049 HydrophobicContact CD1-CD1 3.98Å; I2046-I2049 HydrophobicContact CG2-CD1 3.78Å; I2046-I2049 HydrophobicContact CG2-CG1 3.93Å; K2047-I2049 WeakPolarHBondContact O-CG1 3.32Å; K2047-I2049 PolarHBondContact O-N 3.1Å; K2047-I2049 VanDerWaalsContact O-N 3.13Å; I2049-W2051 PolarHBondContact O-NE1 2.97Å
2050	V	30.2	Very low	38.2	Very low	91.8 Å²	91.8	67.6 Å²	67.6	56%	0.556	35%	0.354	S	S	*	.			trans	-67.7	126.6	173.1	-177.8	0	0	0	0	110.9	N2018 I2075 I2089	N2018-V2050 PolarHBondContact OD1-O 3.04Å; V2050-I2075 WeakPolarHBondContact O-CD1 3.41Å; V2050-I2089 HydrophobicContact CG1-CD1 3.82Å; V2050-I2089 VanDerWaalsContact CG1-CD1 3.46Å; V2050-I2089 HydrophobicContact CG1-CG1 4.11Å
2051	W	33.9	Very low	37.9	Very low	77.8 Å²	77.8	68.5 Å²	68.5	30%	0.295	36%	0.36	S	S	.	.			trans	-105	124.2	-176.4	-71.6	47.7	0	0	0	111.1	L2013 F2016 N2017 N2018 F2019 N2042 L2044 I2046 I2049 F2053 I2075 I2089	L2013-W2051 HydrophobicContact CD1-CB 4.43Å; F2016-W2051 WeakPolarHBondContact O-CZ2 2.78Å; N2017-W2051 WeakPolarHBondContact OD1-CZ2 3.33Å; N2017-W2051 PolarHBondContact OD1-NE1 3.48Å; N2018-W2051 WeakPolarHBondContact OD1-CA 3.44Å; F2019-W2051 AromaticContact CE1-CH2 3.8Å; F2019-W2051 HydrophobicContact CE1-CH2 3.8Å; F2019-W2051 HydrophobicContact CE1-CZ3 4.16Å; F2019-W2051 HydrophobicContact CZ-CH2 4.1Å; F2019-W2051 HydrophobicContact CZ-CZ3 4.14Å; N2042-W2051 HydrophobicContact CB-CZ3 4.45Å; N2042-W2051 VanDerWaalsContact ND2-CH2 3.31Å; N2042-W2051 WeakPolarHBondContact ND2-CH2 3.37Å; N2042-W2051 VanDerWaalsContact ND2-CZ3 3.27Å; N2042-W2051 WeakPolarHBondContact ND2-CZ3 3.29Å; N2042-W2051 WeakPolarHBondContact OD1-CH2 3.2Å; L2044-W2051 HydrophobicContact CB-CH2 3.77Å; L2044-W2051 HydrophobicContact CB-CZ2 3.84Å; L2044-W2051 HydrophobicContact CB-CZ3 3.95Å; L2044-W2051 HydrophobicContact CD1-CH2 3.6Å; L2044-W2051 HydrophobicContact CD1-CZ2 3.8Å; L2044-W2051 HydrophobicContact CD1-CZ3 3.96Å; L2044-W2051 VanDerWaalsContact CD1-CZ3 3.44Å; L2044-W2051 HydrophobicContact CD2-CH2 3.83Å; L2044-W2051 HydrophobicContact CG-CH2 3.99Å; L2044-W2051 HydrophobicContact CG-CZ2 4.41Å; L2044-W2051 HydrophobicContact CG-CZ3 4.15Å; I2046-W2051 HydrophobicContact CD1-CD2 3.81Å; I2046-W2051 HydrophobicContact CD1-CE3 4.25Å; I2046-W2051 HydrophobicContact CD1-CG 4.44Å; I2046-W2051 HydrophobicContact CD1-CH2 3.85Å; I2046-W2051 HydrophobicContact CD1-CZ2 3.4Å; I2046-W2051 VanDerWaalsContact CD1-CZ2 3.4Å; I2046-W2051 HydrophobicContact CD1-CZ3 4.24Å; I2046-W2051 HydrophobicContact CG1-CD2 4.42Å; I2046-W2051 VanDerWaalsContact CG1-CE2 3.43Å; I2046-W2051 HydrophobicContact CG1-CH2 3.94Å; I2046-W2051 HydrophobicContact CG1-CZ2 3.19Å; I2049-W2051 PolarHBondContact O-NE1 2.97Å; W2051-F2053 AromaticContact CE3-CD2 3.73Å; W2051-F2053 HydrophobicContact CE3-CD2 3.73Å; W2051-F2053 AromaticContact CE3-CE2 3.54Å; W2051-F2053 HydrophobicContact CE3-CE2 3.54Å; W2051-F2053 HydrophobicContact CZ3-CD2 4.21Å; W2051-F2053 AromaticContact CZ3-CE2 3.58Å; W2051-F2053 HydrophobicContact CZ3-CE2 3.58Å; W2051-F2053 HydrophobicContact CZ3-CZ 4.34Å; W2051-I2075 HydrophobicContact CH2-CD1 4.04Å; W2051-I2075 HydrophobicContact CZ3-CD1 3.63Å; W2051-I2089 WeakPolarHBondContact O-CB 3.25Å
2052	F	34.6	Very low	37.8	Very low	103.4 Å²	103.4	69.7 Å²	69.7	45%	0.454	36%	0.362	S	S	.	.			trans	-111.7	128.1	164.8	-126.1	-93.5	0	0	0	109.8	N2018 F2019 N2054 I2089	N2018-F2052 CarbonylContact C-O 3.55Å; N2018-F2052 VanDerWaalsContact CA-O 3.24Å; N2018-F2052 WeakPolarHBondContact CA-O 3.32Å; N2018-F2052 WeakPolarHBondContact OD1-CB 3.32Å; N2018-F2052 PolarHBondContact OD1-N 3.21Å; F2019-F2052 PolarHBondContact N-O 2.95Å; F2019-F2052 VanDerWaalsContact N-O 3.14Å; F2052-N2054 HydrophobicContact CD1-CB 4.46Å; F2052-N2054 VanDerWaalsContact CD1-OD1 3.31Å; F2052-N2054 WeakPolarHBondContact CD1-OD1 3.24Å; F2052-N2054 HydrophobicContact CE1-CB 4.27Å; F2052-N2054 WeakPolarHBondContact CE1-ND2 3.44Å; F2052-N2054 WeakPolarHBondContact CE1-OD1 3.36Å; F2052-N2054 WeakPolarHBondContact CZ-OD1 3.3Å; F2052-I2089 HydrophobicContact CD2-CD1 4.19Å; F2052-I2089 HydrophobicContact CD2-CG2 3.9Å; F2052-I2089 HydrophobicContact CE1-CG2 4.47Å; F2052-I2089 HydrophobicContact CE2-CD1 4.25Å; F2052-I2089 HydrophobicContact CE2-CG2 3.92Å; F2052-I2089 HydrophobicContact CG-CG2 4.36Å; F2052-I2089 HydrophobicContact CZ-CG2 4.18Å
2053	F	38.5	Very low	37.7	Very low	58.8 Å²	58.8	72.4 Å²	72.4	26%	0.258	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	95.3	-179	-138.3	-89.4	0	0	0	109.1	L2013 F2019 F2021 N2042 W2051 F2091 Q2092	L2013-F2053 HydrophobicContact CD1-CE1 3.91Å; L2013-F2053 VanDerWaalsContact CD1-CE1 3.48Å; L2013-F2053 HydrophobicContact CD1-CE2 3.89Å; L2013-F2053 HydrophobicContact CD1-CZ 3.69Å; F2019-F2053 HydrophobicContact CB-CD2 4.07Å; F2019-F2053 HydrophobicContact CB-CE1 4.19Å; F2019-F2053 HydrophobicContact CB-CE2 3.95Å; F2019-F2053 HydrophobicContact CB-CZ 3.9Å; F2019-F2053 HydrophobicContact CD1-CD1 4.27Å; F2019-F2053 AromaticContact CD1-CD2 3.7Å; F2019-F2053 HydrophobicContact CD1-CD2 3.7Å; F2019-F2053 AromaticContact CD1-CE1 3.61Å; F2019-F2053 HydrophobicContact CD1-CE1 3.9Å; F2019-F2053 AromaticContact CD1-CE2 3.65Å; F2019-F2053 HydrophobicContact CD1-CE2 3.65Å; F2019-F2053 VanDerWaalsContact CD1-CE2 3.43Å; F2019-F2053 HydrophobicContact CD1-CG 4.1Å; F2019-F2053 AromaticContact CD1-CZ 3.8Å; F2019-F2053 HydrophobicContact CD1-CZ 3.8Å; F2019-F2053 AromaticContact CE1-CD1 3.85Å; F2019-F2053 HydrophobicContact CE1-CD1 3.85Å; F2019-F2053 HydrophobicContact CE1-CD2 4.09Å; F2019-F2053 AromaticContact CE1-CE1 3.39Å; F2019-F2053 HydrophobicContact CE1-CE1 4.09Å; F2019-F2053 AromaticContact CE1-CE2 3.6Å; F2019-F2053 HydrophobicContact CE1-CE2 3.6Å; F2019-F2053 HydrophobicContact CE1-CG 4.21Å; F2019-F2053 AromaticContact CE1-CZ 3.26Å; F2019-F2053 HydrophobicContact CE1-CZ 3.82Å; F2019-F2053 HydrophobicContact CG-CE1 4.32Å; F2019-F2053 HydrophobicContact CG-CE2 4.23Å; F2019-F2053 HydrophobicContact CG-CZ 4.21Å; F2019-F2053 HydrophobicContact CZ-CE1 4.42Å; F2019-F2053 HydrophobicContact CZ-CZ 4.29Å; F2021-F2053 HydrophobicContact CD1-CE1 4.28Å; F2021-F2053 HydrophobicContact CE1-CD1 4.17Å; F2021-F2053 AromaticContact CE1-CE1 3.53Å; F2021-F2053 HydrophobicContact CE1-CE1 3.97Å; F2021-F2053 HydrophobicContact CE1-CZ 4.46Å; F2021-F2053 HydrophobicContact CZ-CE1 4.48Å; N2042-F2053 HydrophobicContact CB-CE2 4.41Å; N2042-F2053 HydrophobicContact CB-CZ 4.48Å; N2042-F2053 VanDerWaalsContact ND2-CE2 3.29Å; N2042-F2053 WeakPolarHBondContact ND2-CE2 3.49Å; W2051-F2053 AromaticContact CE3-CD2 3.73Å; W2051-F2053 HydrophobicContact CE3-CD2 3.73Å; W2051-F2053 AromaticContact CE3-CE2 3.54Å; W2051-F2053 HydrophobicContact CE3-CE2 3.54Å; W2051-F2053 HydrophobicContact CZ3-CD2 4.21Å; W2051-F2053 AromaticContact CZ3-CE2 3.58Å; W2051-F2053 HydrophobicContact CZ3-CE2 3.58Å; W2051-F2053 HydrophobicContact CZ3-CZ 4.34Å; F2053-F2091 HydrophobicContact CB-CD2 4.07Å; F2053-F2091 HydrophobicContact CB-CE2 4.29Å; F2053-F2091 HydrophobicContact CD1-CD2 4.22Å; F2053-F2091 AromaticContact CD1-CE2 3.69Å; F2053-F2091 HydrophobicContact CD1-CE2 4.06Å; F2053-F2091 HydrophobicContact CE1-CE2 4.2Å; F2053-F2091 HydrophobicContact CG-CE2 4.34Å; F2053-Q2092 PolarHBondContact O-N 2.89Å; F2053-Q2092 VanDerWaalsContact O-N 3.11Å; F2053-Q2092 VanDerWaalsContact O-O 3.09Å
2054	N	40.9	Very low	37.5	Very low	65.6 Å²	65.6	72.6 Å²	72.6	35%	0.351	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.1	-179.9	-81.5	10.6	0	0	0	109.7	F2019 Q2020 F2021 F2052 Q2092	F2019-N2054 PolarHBondContact O-N 2.98Å; F2019-N2054 VanDerWaalsContact O-N 3.1Å; Q2020-N2054 VanDerWaalsContact CA-O 3.27Å; Q2020-N2054 WeakPolarHBondContact CA-O 3.13Å; Q2020-N2054 HydrophobicContact CG-CB 4.15Å; F2021-N2054 PolarHBondContact N-O 2.74Å; F2021-N2054 VanDerWaalsContact N-O 3.12Å; F2052-N2054 HydrophobicContact CD1-CB 4.46Å; F2052-N2054 VanDerWaalsContact CD1-OD1 3.31Å; F2052-N2054 WeakPolarHBondContact CD1-OD1 3.24Å; F2052-N2054 HydrophobicContact CE1-CB 4.27Å; F2052-N2054 WeakPolarHBondContact CE1-ND2 3.44Å; F2052-N2054 WeakPolarHBondContact CE1-OD1 3.36Å; F2052-N2054 WeakPolarHBondContact CZ-OD1 3.3Å; N2054-Q2092 WeakPolarHBondContact CA-O 3.28Å; N2054-Q2092 PolarHBondContact ND2-OE1 3.09Å; N2054-Q2092 WeakPolarHBondContact OD1-CB 3.31Å
2055	G	41.8	Very low	37.4	Very low	18 Å²	18	78.6 Å²	78.6	19%	0.186	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.6	178.8	0	0	0	0	0	114.4	F2021 Q2092 C2093 L2094	F2021-G2055 VanDerWaalsContact CE1-CA 3.43Å; F2021-G2055 VanDerWaalsContact CZ-CA 3.48Å; F2021-G2055 CarbonylContact O-C 3.43Å; F2021-G2055 VanDerWaalsContact O-CA 3.32Å; F2021-G2055 WeakPolarHBondContact O-CA 3.32Å; G2055-Q2092 PolarHBondContact N-O 2.98Å; G2055-C2093 WeakPolarHBondContact O-CA 3.13Å; G2055-L2094 PolarHBondContact O-N 2.99Å; G2055-L2094 VanDerWaalsContact O-N 3.16Å
2056	S	44.1	Very low	37.3	Very low	48.6 Å²	48.6	75.4 Å²	75.4	34%	0.34	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.2	170.3	60.7	0	0	0	0	111.9	F2021 S2022 I2023 E2058 L2094	F2021-S2056 PolarHBondContact O-N 3.12Å; F2021-S2056 VanDerWaalsContact O-N 3.14Å; S2022-S2056 CarbonylContact C-O 3.48Å; S2022-S2056 VanDerWaalsContact CA-O 3.23Å; S2022-S2056 WeakPolarHBondContact CA-O 3.27Å; S2022-S2056 VanDerWaalsContact CB-OG 3.3Å; S2022-S2056 WeakPolarHBondContact CB-OG 3.2Å; I2023-S2056 PolarHBondContact N-O 2.96Å; S2056-E2058 PolarHBondContact O-N 3.48Å; S2056-L2094 CarbonylContact C-O 3.46Å; S2056-L2094 WeakPolarHBondContact CA-O 3.4Å; S2056-L2094 WeakPolarHBondContact CB-O 3.35Å
2057	I	44.2	Very low	37.3	Very low	30.8 Å²	30.8	75.5 Å²	75.5	16%	0.158	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.7	174.7	-58.5	176	0	0	0	108.3	F2021 I2023 I2025 I2038 I2059 F2069 I2072 L2094 I2095 L2096	F2021-I2057 HydrophobicContact CE2-CG1 4.27Å; I2023-I2057 HydrophobicContact CB-CG1 4.46Å; I2023-I2057 HydrophobicContact CB-CG2 4.45Å; I2023-I2057 HydrophobicContact CD1-CG1 4.39Å; I2023-I2057 CarbonylContact O-C 3.57Å; I2023-I2057 VanDerWaalsContact O-CA 3.24Å; I2023-I2057 WeakPolarHBondContact O-CA 3.34Å; I2025-I2057 HydrophobicContact CD1-CG2 3.72Å; I2025-I2057 HydrophobicContact CG1-CG2 4.41Å; I2038-I2057 HydrophobicContact CD1-CD1 3.99Å; I2038-I2057 HydrophobicContact CD1-CG2 4.21Å; I2038-I2057 HydrophobicContact CG2-CD1 4.41Å; I2057-I2059 HydrophobicContact CG2-CD1 4.36Å; I2057-I2059 HydrophobicContact CG2-CG1 4.34Å; I2057-F2069 HydrophobicContact CG1-CE1 4.13Å; I2057-F2069 HydrophobicContact CG1-CZ 4.37Å; I2057-I2072 HydrophobicContact CD1-CD1 4.15Å; I2057-L2094 PolarHBondContact N-O 3.12Å; I2057-I2095 HydrophobicContact CD1-CG1 4.47Å; I2057-I2095 CarbonylContact O-C 2.86Å; I2057-I2095 VanDerWaalsContact O-CA 3.31Å; I2057-I2095 WeakPolarHBondContact O-CA 3.23Å; I2057-L2096 PolarHBondContact O-N 3.16Å; I2057-L2096 VanDerWaalsContact O-O 3.05Å
2058	E	43.4	Very low	37.5	Very low	57.2 Å²	57.2	69.5 Å²	69.5	27%	0.267	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.2	178.3	-168.5	177.9	-138.6	0	0	110.3	I2023 K2024 I2025 S2056 L2060 L2096 Q2098	I2023-E2058 PolarHBondContact O-N 3.13Å; K2024-E2058 CarbonylContact C-O 3.56Å; K2024-E2058 WeakPolarHBondContact CA-O 3.39Å; K2024-E2058 HydrophobicContact CB-CB 4.32Å; K2024-E2058 VanDerWaalsContact CD-OE2 3.3Å; K2024-E2058 WeakPolarHBondContact CD-OE2 3.33Å; K2024-E2058 WeakPolarHBondContact CE-OE2 3.36Å; K2024-E2058 HydrophobicContact CG-CB 4.33Å; K2024-E2058 HydrophobicContact CG-CG 4.36Å; K2024-E2058 IonicContact NZ-OE1 3.82Å; K2024-E2058 IonicContact NZ-OE2 3.1Å; K2024-E2058 PolarHBondContact NZ-OE2 2.9Å; K2024-E2058 VanDerWaalsContact NZ-OE2 3.1Å; I2025-E2058 PolarHBondContact N-O 3.11Å; S2056-E2058 PolarHBondContact O-N 3.48Å; E2058-L2060 HydrophobicContact CG-CD1 4.38Å; E2058-L2060 HydrophobicContact CG-CD2 3.7Å; E2058-L2060 HydrophobicContact CG-CG 4.14Å; E2058-L2096 CarbonylContact C-O 2.87Å; E2058-L2096 VanDerWaalsContact CA-O 3.28Å; E2058-L2096 WeakPolarHBondContact CA-O 3.38Å; E2058-L2096 HydrophobicContact CB-CB 4.23Å; E2058-L2096 HydrophobicContact CB-CD2 4.35Å; E2058-L2096 HydrophobicContact CG-CB 4.19Å; E2058-L2096 HydrophobicContact CG-CD2 3.74Å; E2058-Q2098 VanDerWaalsContact OE1-CD 3.3Å; E2058-Q2098 PolarHBondContact OE1-NE2 3.04Å; E2058-Q2098 PolarHBondContact OE1-OE1 2.75Å
2059	I	45.2	Very low	37.9	Very low	30.2 Å²	30.2	67.2 Å²	67.2	16%	0.155	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.8	176	-55.1	175.6	0	0	0	111.8	I2025 F2030 I2057 P2061 I2070 L2096 I2097 Q2098 W2106	I2025-I2059 HydrophobicContact CB-CG1 4.35Å; I2025-I2059 HydrophobicContact CD1-CG1 4.42Å; I2025-I2059 WeakPolarHBondContact O-CA 3.5Å; F2030-I2059 HydrophobicContact CZ-CG2 4.15Å; I2057-I2059 HydrophobicContact CG2-CD1 4.36Å; I2057-I2059 HydrophobicContact CG2-CG1 4.34Å; I2059-P2061 HydrophobicContact CG2-CG 4.48Å; I2059-P2061 WeakPolarHBondContact O-CD 3.25Å; I2059-I2070 HydrophobicContact CD1-CD1 3.83Å; I2059-L2096 PolarHBondContact N-O 3.19Å; I2059-I2097 HydrophobicContact CD1-CG1 4.46Å; I2059-Q2098 PolarHBondContact O-N 2.92Å; I2059-Q2098 VanDerWaalsContact O-N 3.14Å; I2059-W2106 HydrophobicContact CG2-CH2 4.49Å
2060	L	46.5	Very low	38.2	Very low	48.6 Å²	48.6	64.6 Å²	64.6	25%	0.254	33%	0.33	S	S	.	.			trans	-143.8	124.8	179	-74.9	167.2	0	0	0	114.4	K2024 I2025 I2026 P2027 E2058 Q2098 T2100	K2024-L2060 HydrophobicContact CD-CD1 4.41Å; K2024-L2060 HydrophobicContact CG-CD1 4.26Å; I2025-L2060 PolarHBondContact O-N 3.13Å; I2025-L2060 VanDerWaalsContact O-N 3.11Å; I2026-L2060 VanDerWaalsContact CA-O 3.32Å; I2026-L2060 WeakPolarHBondContact CA-O 3.47Å; I2026-L2060 HydrophobicContact CD1-CD1 4.14Å; I2026-L2060 HydrophobicContact CG1-CB 4.3Å; I2026-L2060 HydrophobicContact CG1-CD1 4.16Å; I2026-L2060 HydrophobicContact CG2-CB 4.24Å; I2026-L2060 WeakPolarHBondContact CG2-O 3.32Å; P2027-L2060 VanDerWaalsContact CD-O 3.29Å; P2027-L2060 WeakPolarHBondContact CD-O 3.37Å; E2058-L2060 HydrophobicContact CG-CD1 4.38Å; E2058-L2060 HydrophobicContact CG-CD2 3.7Å; E2058-L2060 HydrophobicContact CG-CG 4.14Å; L2060-Q2098 WeakPolarHBondContact CA-O 3.49Å; L2060-Q2098 HydrophobicContact CD2-CB 3.53Å; L2060-Q2098 VanDerWaalsContact CD2-CB 3.44Å; L2060-Q2098 HydrophobicContact CD2-CG 3.34Å; L2060-Q2098 HydrophobicContact CG-CB 4.11Å; L2060-T2100 HydrophobicContact CD2-CG2 4.18Å
2061	P	40.3	Very low	38.4	Very low	36.8 Å²	36.8	63.6 Å²	63.6	24%	0.239	32%	0.32	C	S	.	.			cis	-91.9	153.9	-30.2	34.4	-29.5	0	0	0	113.4	Y1934 P2027 F2030 I2059 L2063 I2066 Q2098 N2099 T2100 W2106	Y1934-P2061 HydrophobicContact CE2-CB 3.82Å; P2027-P2061 HydrophobicContact CG-CB 4.31Å; F2030-P2061 HydrophobicContact CE2-CG 4.01Å; F2030-P2061 WeakPolarHBondContact CE2-O 3.35Å; I2059-P2061 HydrophobicContact CG2-CG 4.48Å; I2059-P2061 WeakPolarHBondContact O-CD 3.25Å; P2061-L2063 PolarHBondContact O-N 2.99Å; P2061-I2066 HydrophobicContact CB-CD1 3.17Å; P2061-I2066 HydrophobicContact CB-CG1 4.48Å; P2061-I2066 HydrophobicContact CG-CD1 3.91Å; P2061-Q2098 WeakPolarHBondContact CD-O 3.35Å; P2061-N2099 PolarHBondContact O-OD1 3.45Å; P2061-T2100 HydrophobicContact CB-CG2 3.91Å; P2061-T2100 WeakPolarHBondContact CB-OG1 3.22Å; P2061-W2106 HydrophobicContact CB-CZ2 4.31Å; P2061-W2106 HydrophobicContact CG-CH2 3.68Å; P2061-W2106 HydrophobicContact CG-CZ2 3.04Å
2062	Y	41	Very low	38.5	Very low	76.4 Å²	76.4	62.2 Å²	62.2	30%	0.3	32%	0.318	S	S	.	.			trans	-74.4	89.7	179.1	-122.6	-90.9	0	0	0	114.8	Y1934 I2026 F2030 P2064 I2066 L2067 T2068 I2097 Q2098 N2099 N2101 K2107 F2109	Y1934-Y2062 PolarHBondContact OH-N 3.12Å; I2026-Y2062 HydrophobicContact CG2-CE2 4.32Å; F2030-Y2062 HydrophobicContact CD1-CE1 4.03Å; F2030-Y2062 HydrophobicContact CE1-CD1 4.49Å; F2030-Y2062 AromaticContact CE1-CE1 3.35Å; F2030-Y2062 HydrophobicContact CE1-CE1 3.35Å; F2030-Y2062 AromaticContact CE1-CZ 3.66Å; F2030-Y2062 VanDerWaalsContact CE1-OH 3.23Å; F2030-Y2062 WeakPolarHBondContact CE1-OH 3.07Å; F2030-Y2062 HydrophobicContact CE2-CE1 4.23Å; F2030-Y2062 HydrophobicContact CZ-CD1 4.33Å; F2030-Y2062 AromaticContact CZ-CE1 3.47Å; F2030-Y2062 HydrophobicContact CZ-CE1 3.47Å; F2030-Y2062 VanDerWaalsContact CZ-CE1 3.47Å; F2030-Y2062 AromaticContact CZ-CZ 3.82Å; Y2062-P2064 WeakPolarHBondContact O-CD 2.98Å; Y2062-P2064 VanDerWaalsContact O-N 3.14Å; Y2062-I2066 HydrophobicContact CE1-CB 3.9Å; Y2062-I2066 HydrophobicContact CE2-CB 4.49Å; Y2062-I2066 PolarHBondContact OH-O 3.15Å; Y2062-L2067 HydrophobicContact CE2-CD1 4.1Å; Y2062-T2068 HydrophobicContact CE2-CG2 4.19Å; Y2062-T2068 WeakPolarHBondContact OH-CG2 3.49Å; Y2062-T2068 PolarHBondContact OH-OG1 3.04Å; Y2062-I2097 HydrophobicContact CD2-CG2 3.6Å; Y2062-I2097 HydrophobicContact CE2-CG2 4.13Å; Y2062-I2097 HydrophobicContact CG-CG2 3.95Å; Y2062-Q2098 PolarHBondContact N-O 2.92Å; Y2062-N2099 HydrophobicContact CD1-CB 4.42Å; Y2062-N2099 HydrophobicContact CG-CB 4.24Å; Y2062-N2099 PolarHBondContact O-OD1 3.06Å; Y2062-N2099 VanDerWaalsContact O-OD1 3.1Å; Y2062-N2101 PolarHBondContact O-ND2 3.19Å; Y2062-K2107 VanDerWaalsContact CE1-NZ 3.29Å; Y2062-K2107 PolarHBondContact OH-NZ 2.86Å; Y2062-F2109 HydrophobicContact CE1-CE2 4.24Å; Y2062-F2109 HydrophobicContact CE2-CE2 4.27Å; Y2062-F2109 HydrophobicContact CE2-CZ 4.47Å; Y2062-F2109 AromaticContact CZ-CE2 3.78Å
2063	L	37.9	Very low	38.5	Very low	74.6 Å²	74.6	61.7 Å²	61.7	39%	0.391	32%	0.317	S	S	.	.			trans	-93.7	148.4	166.9	-88.5	148.2	0	0	0	113.6	Y1934 F2030 I2033 I2036 P2061 K2065 I2066 I2097	Y1934-L2063 HydrophobicContact CE1-CD1 4.35Å; F2030-L2063 HydrophobicContact CB-CD1 4.18Å; F2030-L2063 HydrophobicContact CD2-CD1 3.73Å; F2030-L2063 HydrophobicContact CE2-CD1 4.32Å; F2030-L2063 HydrophobicContact CG-CD1 3.89Å; I2033-L2063 HydrophobicContact CD1-CD2 4.26Å; I2033-L2063 HydrophobicContact CG2-CD2 4.46Å; I2036-L2063 HydrophobicContact CD1-CD1 3.82Å; I2036-L2063 HydrophobicContact CD1-CD2 4.23Å; I2036-L2063 HydrophobicContact CD1-CG 3.75Å; P2061-L2063 PolarHBondContact O-N 2.99Å; L2063-K2065 VanDerWaalsContact C-N 3.29Å; L2063-K2065 PolarHBondContact O-N 2.95Å; L2063-K2065 VanDerWaalsContact O-N 3.13Å; L2063-I2066 HydrophobicContact CB-CD1 3.91Å; L2063-I2066 HydrophobicContact CD1-CD1 4.34Å; L2063-I2066 HydrophobicContact CG-CD1 4.48Å; L2063-I2066 WeakPolarHBondContact O-CB 3.45Å; L2063-I2066 WeakPolarHBondContact O-CG1 3.28Å; L2063-I2066 PolarHBondContact O-N 2.76Å; L2063-I2097 HydrophobicContact CD2-CD1 4.21Å; L2063-I2097 HydrophobicContact CD2-CG2 4.42Å
2064	P	33.9	Very low	38.4	Very low	81.4 Å²	81.4	61.6 Å²	61.6	53%	0.529	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	4.1	-165.3	6.9	-8.3	0	0	0	116.7	Y2062 E2105	Y2062-P2064 WeakPolarHBondContact O-CD 2.98Å; Y2062-P2064 VanDerWaalsContact O-N 3.14Å; P2064-E2105 CarbonylContact C-O 3.48Å; P2064-E2105 WeakPolarHBondContact CB-O 3.36Å
2065	K	33.7	Very low	38.3	Very low	171.2 Å²	171.2	61.2 Å²	61.2	74%	0.744	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	13.6	-178.2	-76.7	-172.9	175.9	179.4	0	114.5	L2063 L2067 T2068	L2063-K2065 VanDerWaalsContact C-N 3.29Å; L2063-K2065 PolarHBondContact O-N 2.95Å; L2063-K2065 VanDerWaalsContact O-N 3.13Å; K2065-L2067 VanDerWaalsContact C-N 3.27Å; K2065-L2067 PolarHBondContact O-N 2.97Å; K2065-T2068 WeakPolarHBondContact CA-OG1 3.04Å; K2065-T2068 PolarHBondContact O-N 2.96Å; K2065-T2068 PolarHBondContact O-OG1 3Å
2066	I	34.9	Very low	37.8	Very low	30 Å²	30	68.3 Å²	68.3	15%	0.154	35%	0.346	C	S	.	.			trans	-97.6	84.3	-178.3	-61.5	164.8	0	0	0	110.5	I2025 F2030 I2033 I2036 I2038 P2061 Y2062 L2063 T2068 F2069	I2025-I2066 HydrophobicContact CD1-CD1 4.06Å; I2025-I2066 HydrophobicContact CD1-CG2 4.16Å; F2030-I2066 HydrophobicContact CB-CD1 3.38Å; F2030-I2066 HydrophobicContact CB-CG1 3.76Å; F2030-I2066 HydrophobicContact CB-CG2 4.46Å; F2030-I2066 HydrophobicContact CD1-CD1 3.57Å; F2030-I2066 HydrophobicContact CD1-CG1 4.21Å; F2030-I2066 HydrophobicContact CD1-CG2 4Å; F2030-I2066 HydrophobicContact CD2-CD1 4.15Å; F2030-I2066 HydrophobicContact CE1-CD1 3.28Å; F2030-I2066 HydrophobicContact CE1-CG1 4.31Å; F2030-I2066 HydrophobicContact CE1-CG2 4.47Å; F2030-I2066 HydrophobicContact CE2-CD1 4.06Å; F2030-I2066 HydrophobicContact CG-CD1 3.87Å; F2030-I2066 HydrophobicContact CG-CG1 4.34Å; F2030-I2066 HydrophobicContact CG-CG2 4.44Å; F2030-I2066 HydrophobicContact CZ-CD1 3.8Å; I2033-I2066 WeakPolarHBondContact O-CG2 3.27Å; I2036-I2066 HydrophobicContact CD1-CD1 3.73Å; I2038-I2066 HydrophobicContact CD1-CG2 3.76Å; P2061-I2066 HydrophobicContact CB-CD1 3.17Å; P2061-I2066 HydrophobicContact CB-CG1 4.48Å; P2061-I2066 HydrophobicContact CG-CD1 3.91Å; Y2062-I2066 HydrophobicContact CE1-CB 3.9Å; Y2062-I2066 HydrophobicContact CE2-CB 4.49Å; Y2062-I2066 PolarHBondContact OH-O 3.15Å; L2063-I2066 HydrophobicContact CB-CD1 3.91Å; L2063-I2066 HydrophobicContact CD1-CD1 4.34Å; L2063-I2066 HydrophobicContact CG-CD1 4.48Å; L2063-I2066 WeakPolarHBondContact O-CB 3.45Å; L2063-I2066 WeakPolarHBondContact O-CG1 3.28Å; L2063-I2066 PolarHBondContact O-N 2.76Å; I2066-T2068 VanDerWaalsContact C-N 3.31Å; I2066-T2068 HydrophobicContact CG2-CG2 3.62Å; I2066-T2068 WeakPolarHBondContact CG2-OG1 3.28Å; I2066-T2068 PolarHBondContact O-N 3.19Å; I2066-T2068 VanDerWaalsContact O-N 3.13Å; I2066-F2069 PolarHBondContact O-N 2.76Å; I2066-F2069 VanDerWaalsContact O-N 3.1Å
2067	L	31.3	Very low	37.3	Very low	81 Å²	81	68.9 Å²	68.9	42%	0.424	35%	0.35	S	S	.	.			trans	-81.9	41.2	174.8	-100.8	154.3	0	0	0	110.6	I2033 Q2034 Y2062 K2065 F2069 I2095 L2108 F2109 S2140 Y2141	I2033-L2067 CarbonylContact C-O 3.6Å; Q2034-L2067 CarbonylContact C-O 3.58Å; Q2034-L2067 VanDerWaalsContact CA-O 3.26Å; Q2034-L2067 WeakPolarHBondContact CA-O 3.29Å; Q2034-L2067 VanDerWaalsContact O-O 3.12Å; Y2062-L2067 HydrophobicContact CE2-CD1 4.1Å; K2065-L2067 VanDerWaalsContact C-N 3.27Å; K2065-L2067 PolarHBondContact O-N 2.97Å; L2067-F2069 VanDerWaalsContact C-N 3.31Å; L2067-F2069 PolarHBondContact O-N 3.15Å; L2067-I2095 HydrophobicContact CD2-CD1 3.53Å; L2067-L2108 HydrophobicContact CD2-CB 3.71Å; L2067-L2108 HydrophobicContact CD2-CD1 4.1Å; L2067-L2108 HydrophobicContact CD2-CG 4.37Å; L2067-L2108 HydrophobicContact CG-CB 4.11Å; L2067-F2109 HydrophobicContact CD2-CZ 3.96Å; L2067-S2140 WeakPolarHBondContact CD2-O 3.49Å; L2067-Y2141 HydrophobicContact CD1-CD2 4.02Å; L2067-Y2141 HydrophobicContact CD1-CG 4.37Å
2068	T	33.5	Very low	36.7	Very low	48.2 Å²	48.2	74.5 Å²	74.5	30%	0.296	38%	0.38	S	S	.	.			trans	-87.7	74.6	177.3	42.9	0	0	0	0	112.2	F2030 I2033 Q2034 I2036 Y2062 K2065 I2066 I2070 F2109 N2110	F2030-T2068 HydrophobicContact CE1-CG2 4.28Å; I2033-T2068 HydrophobicContact CB-CG2 4.46Å; I2033-T2068 HydrophobicContact CG2-CG2 4.13Å; Q2034-T2068 WeakPolarHBondContact O-CA 3.35Å; I2036-T2068 HydrophobicContact CD1-CG2 3.83Å; I2036-T2068 HydrophobicContact CG1-CG2 4.08Å; Y2062-T2068 HydrophobicContact CE2-CG2 4.19Å; Y2062-T2068 WeakPolarHBondContact OH-CG2 3.49Å; Y2062-T2068 PolarHBondContact OH-OG1 3.04Å; K2065-T2068 WeakPolarHBondContact CA-OG1 3.04Å; K2065-T2068 PolarHBondContact O-N 2.96Å; K2065-T2068 PolarHBondContact O-OG1 3Å; I2066-T2068 VanDerWaalsContact C-N 3.31Å; I2066-T2068 HydrophobicContact CG2-CG2 3.62Å; I2066-T2068 WeakPolarHBondContact CG2-OG1 3.28Å; I2066-T2068 PolarHBondContact O-N 3.19Å; I2066-T2068 VanDerWaalsContact O-N 3.13Å; T2068-I2070 VanDerWaalsContact C-N 3.27Å; T2068-I2070 PolarHBondContact O-N 2.78Å; T2068-F2109 WeakPolarHBondContact OG1-CE1 3.34Å; T2068-F2109 VanDerWaalsContact OG1-CZ 3.31Å; T2068-F2109 WeakPolarHBondContact OG1-CZ 3.24Å; T2068-N2110 PolarHBondContact O-N 3.32Å; T2068-N2110 VanDerWaalsContact O-O 3.11Å
2069	F	35.2	Very low	36.1	Very low	94.2 Å²	94.2	76.7 Å²	76.7	41%	0.413	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	83.6	169.3	-82.6	-84.9	0	0	0	111	Q2034 L2035 I2036 I2057 I2066 L2067 N2110 S2112	Q2034-F2069 VanDerWaalsContact O-CB 3.27Å; Q2034-F2069 WeakPolarHBondContact O-CB 3.26Å; Q2034-F2069 WeakPolarHBondContact O-CG 3.32Å; Q2034-F2069 PolarHBondContact O-N 3.16Å; L2035-F2069 WeakPolarHBondContact CA-O 3.35Å; L2035-F2069 HydrophobicContact CB-CB 4.36Å; L2035-F2069 HydrophobicContact CD1-CB 4.09Å; L2035-F2069 HydrophobicContact CD1-CD1 4.31Å; L2035-F2069 HydrophobicContact CD1-CD2 3.91Å; L2035-F2069 HydrophobicContact CD1-CG 4.4Å; L2035-F2069 HydrophobicContact CD2-CB 4.2Å; L2035-F2069 HydrophobicContact CG-CB 4.05Å; I2036-F2069 CarbonylContact C-O 3.56Å; I2036-F2069 PolarHBondContact N-O 2.9Å; I2036-F2069 VanDerWaalsContact N-O 3.14Å; I2057-F2069 HydrophobicContact CG1-CE1 4.13Å; I2057-F2069 HydrophobicContact CG1-CZ 4.37Å; I2066-F2069 PolarHBondContact O-N 2.76Å; I2066-F2069 VanDerWaalsContact O-N 3.1Å; L2067-F2069 VanDerWaalsContact C-N 3.31Å; L2067-F2069 PolarHBondContact O-N 3.15Å; F2069-N2110 WeakPolarHBondContact CA-O 3.38Å; F2069-N2110 HydrophobicContact CD1-CB 3.96Å; F2069-N2110 HydrophobicContact CE1-CB 3.72Å; F2069-N2110 HydrophobicContact CE2-CB 4.44Å; F2069-N2110 HydrophobicContact CG-CB 4.43Å; F2069-N2110 HydrophobicContact CZ-CB 4Å; F2069-N2110 WeakPolarHBondContact CZ-ND2 3.47Å; F2069-S2112 WeakPolarHBondContact CD1-OG 3.48Å; F2069-S2112 WeakPolarHBondContact CE1-OG 3.48Å
2070	I	36.6	Very low	35.3	Very low	32.8 Å²	32.8	82.6 Å²	82.6	17%	0.168	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	105.8	169.9	-57	176	0	0	0	107.9	I2036 I2038 I2059 T2068 I2072 I2095 I2097 F2109 N2110 M2111 S2112	I2036-I2070 WeakPolarHBondContact O-CA 3.34Å; I2038-I2070 HydrophobicContact CD1-CG2 4.37Å; I2038-I2070 HydrophobicContact CG2-CD1 3.92Å; I2059-I2070 HydrophobicContact CD1-CD1 3.83Å; T2068-I2070 VanDerWaalsContact C-N 3.27Å; T2068-I2070 PolarHBondContact O-N 2.78Å; I2070-I2072 HydrophobicContact CG2-CD1 4.34Å; I2070-I2072 HydrophobicContact CG2-CG1 4.11Å; I2070-I2095 HydrophobicContact CD1-CD1 3.8Å; I2070-I2095 HydrophobicContact CD1-CG2 4.11Å; I2070-I2097 HydrophobicContact CD1-CD1 4.15Å; I2070-F2109 HydrophobicContact CD1-CE2 3.69Å; I2070-F2109 HydrophobicContact CD1-CZ 3.81Å; I2070-F2109 HydrophobicContact CG1-CE2 4.31Å; I2070-N2110 PolarHBondContact N-O 2.78Å; I2070-M2111 HydrophobicContact CB-CG 4.12Å; I2070-M2111 HydrophobicContact CB-SD 4.14Å; I2070-M2111 HydrophobicContact CD1-CG 4.47Å; I2070-M2111 HydrophobicContact CD1-SD 4.24Å; I2070-M2111 HydrophobicContact CG1-SD 4.43Å; I2070-M2111 HydrophobicContact CG2-SD 4.37Å; I2070-S2112 PolarHBondContact O-N 2.78Å; I2070-S2112 VanDerWaalsContact O-N 3.1Å
2071	I	34.6	Very low	34.5	Very low	69 Å²	69	86.8 Å²	86.8	35%	0.354	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116	173.5	-56.3	-179.3	0	0	0	108	L2035 I2036 I2038 H2073 S2112 V2114	L2035-I2071 HydrophobicContact CD1-CD1 4.14Å; L2035-I2071 HydrophobicContact CD2-CD1 4.24Å; L2035-I2071 HydrophobicContact CD2-CG1 4.45Å; L2035-I2071 HydrophobicContact CG-CD1 4.48Å; I2036-I2071 PolarHBondContact O-N 3.12Å; I2038-I2071 CarbonylContact C-O 3.45Å; I2038-I2071 PolarHBondContact N-O 3.09Å; I2038-I2071 VanDerWaalsContact O-O 3.08Å; I2071-H2073 WeakPolarHBondContact CG2-NE2 3.45Å; I2071-H2073 PolarHBondContact O-N 2.78Å; I2071-S2112 WeakPolarHBondContact CG1-OG 3.22Å; I2071-V2114 HydrophobicContact CG2-CG2 4.35Å
2072	I	36.6	Very low	33.9	Very low	48.4 Å²	48.4	93.5 Å²	93.5	25%	0.248	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.5	174.1	-58.5	177.4	0	0	0	107.8	I2038 I2057 I2070 P2074 F2091 I2095 M2111 L2113 V2114 L2128	I2038-I2072 HydrophobicContact CB-CG1 4.31Å; I2038-I2072 WeakPolarHBondContact O-CA 3.12Å; I2057-I2072 HydrophobicContact CD1-CD1 4.15Å; I2070-I2072 HydrophobicContact CG2-CD1 4.34Å; I2070-I2072 HydrophobicContact CG2-CG1 4.11Å; I2072-P2074 WeakPolarHBondContact O-CD 3.19Å; I2072-F2091 HydrophobicContact CG2-CZ 4.47Å; I2072-I2095 HydrophobicContact CD1-CD1 3.65Å; I2072-M2111 HydrophobicContact CB-CE 4.21Å; I2072-M2111 HydrophobicContact CD1-CE 3.77Å; I2072-M2111 HydrophobicContact CG1-CE 3.9Å; I2072-L2113 HydrophobicContact CB-CD1 4.13Å; I2072-L2113 HydrophobicContact CG2-CD1 4.47Å; I2072-V2114 PolarHBondContact O-N 2.75Å; I2072-L2128 HydrophobicContact CD1-CD1 4.08Å
2073	H	35.3	Very low	33.2	Very low	94.2 Å²	94.2	97.2 Å²	97.2	44%	0.436	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.7	174.5	-76.6	-61.4	0	0	0	110.8	D2037 I2038 Q2039 L2040 I2071 I2075	D2037-H2073 IonicContact OD1-CD2 3.41Å; D2037-H2073 PolarHBondContact OD1-CD2 3.1Å; D2037-H2073 IonicContact OD1-NE2 3.21Å; I2038-H2073 PolarHBondContact O-N 3.11Å; Q2039-H2073 HydrophobicContact CG-CB 4.5Å; L2040-H2073 PolarHBondContact N-O 2.95Å; I2071-H2073 WeakPolarHBondContact CG2-NE2 3.45Å; I2071-H2073 PolarHBondContact O-N 2.78Å; H2073-I2075 PolarHBondContact O-N 2.8Å
2074	P	36.6	Very low	32.7	Very low	55.4 Å²	55.4	100.3 Å²	100.3	36%	0.36	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	135.9	172.5	29.7	-32.4	0	0	0	110.3	I2072 K2076 F2091 L2113 Q2115 I2126	I2072-P2074 WeakPolarHBondContact O-CD 3.19Å; P2074-K2076 PolarHBondContact O-N 3.01Å; P2074-K2076 VanDerWaalsContact O-N 3.16Å; P2074-F2091 HydrophobicContact CB-CE2 4.44Å; P2074-L2113 HydrophobicContact CB-CD1 4.23Å; P2074-L2113 HydrophobicContact CB-CD2 3.74Å; P2074-Q2115 HydrophobicContact CG-CG 4.38Å; P2074-I2126 HydrophobicContact CG-CD1 4.25Å
2075	I	37.5	Very low	32.4	Very low	57.8 Å²	57.8	102 Å²	102	30%	0.296	53%	0.526	S	S	.	.			trans	-28.9	112.7	173.3	-58.4	170.2	0	0	0	112.2	L2040 N2042 V2050 W2051 H2073 S2077	L2040-I2075 HydrophobicContact CB-CG1 4.31Å; L2040-I2075 WeakPolarHBondContact O-CA 3.26Å; L2040-I2075 PolarHBondContact O-N 2.87Å; N2042-I2075 HydrophobicContact CB-CG1 4.5Å; N2042-I2075 HydrophobicContact CB-CG2 3.74Å; V2050-I2075 WeakPolarHBondContact O-CD1 3.41Å; W2051-I2075 HydrophobicContact CH2-CD1 4.04Å; W2051-I2075 HydrophobicContact CZ3-CD1 3.63Å; H2073-I2075 PolarHBondContact O-N 2.8Å; I2075-S2077 PolarHBondContact O-N 3.47Å; I2075-S2077 VanDerWaalsContact O-N 3.16Å
2076	K	31.6	Very low	32.2	Very low	168.2 Å²	168.2	97.3 Å²	97.3	73%	0.731	51%	0.512	S	S	*	.			trans	-79.2	112.6	157.9	-80.6	-177.4	176.2	177.8	0	108.2	P2074	P2074-K2076 PolarHBondContact O-N 3.01Å; P2074-K2076 VanDerWaalsContact O-N 3.16Å
2077	S	33.8	Very low	31.9	Very low	61.2 Å²	61.2	104.7 Å²	104.7	43%	0.428	55%	0.546	S	S	.	.			trans	-97.7	118.5	168.1	57.7	0	0	0	0	109.6	I2075 L2079	I2075-S2077 PolarHBondContact O-N 3.47Å; I2075-S2077 VanDerWaalsContact O-N 3.16Å; S2077-L2079 VanDerWaalsContact C-N 3.3Å; S2077-L2079 PolarHBondContact O-N 3.02Å; S2077-L2079 VanDerWaalsContact O-N 3.13Å
2078	D	31.4	Very low	32	Very low	148.6 Å²	148.6	103.3 Å²	103.3	80%	0.795	54%	0.543	S	S	*	.			trans	-76.7	79.9	167.4	-68.4	-31.3	0	0	0	108.9	N2043 N2080	N2043-D2078 PolarHBondContact ND2-OD2 3.19Å; D2078-N2080 PolarHBondContact O-N 3.45Å; D2078-N2080 VanDerWaalsContact O-N 3.08Å
2079	L	30.5	Very low	32.1	Very low	103 Å²	103	105.3 Å²	105.3	54%	0.539	55%	0.551	S	S	.	*			trans	-109.3	112.8	173.9	-79.7	169.1	0	0	0	110	I2046 S2077 D2081	I2046-L2079 HydrophobicContact CD1-CD1 4.34Å; I2046-L2079 HydrophobicContact CD1-CD2 4.11Å; S2077-L2079 VanDerWaalsContact C-N 3.3Å; S2077-L2079 PolarHBondContact O-N 3.02Å; S2077-L2079 VanDerWaalsContact O-N 3.13Å; L2079-D2081 PolarHBondContact O-N 3.26Å
2080	N	29.2	Very low	32.1	Very low	152.8 Å²	152.8	104 Å²	104	82%	0.817	55%	0.552	S	S	*	*			trans	-65.2	145.9	170.8	-71.8	-30.6	0	0	0	111.3	D2078 H2082	D2078-N2080 PolarHBondContact O-N 3.45Å; D2078-N2080 VanDerWaalsContact O-N 3.08Å; N2080-H2082 PolarHBondContact O-N 2.9Å; N2080-H2082 VanDerWaalsContact O-N 3.1Å
2081	D	28.6	Very low	32.2	Very low	137.2 Å²	137.2	104.6 Å²	104.6	73%	0.734	55%	0.554	S	S	*	*	S	Bend	trans	-36.6	91.5	177	-65.3	-56.1	0	0	0	117.3	L2079 Q2120	L2079-D2081 PolarHBondContact O-N 3.26Å; D2081-Q2120 PolarHBondContact OD1-NE2 2.8Å
2082	H	28	Very low	32.5	Very low	178.2 Å²	178.2	106.2 Å²	106.2	83%	0.825	56%	0.56	S	S	*	*			trans	166.1	106.2	170.9	-61.6	-42.1	0	0	0	114.4	N2080	N2080-H2082 PolarHBondContact O-N 2.9Å; N2080-H2082 VanDerWaalsContact O-N 3.1Å
2083	L	27.6	Very low	32.7	Very low	153.8 Å²	153.8	104.6 Å²	104.6	81%	0.805	55%	0.552	S	S	*	*			trans	-179.8	137.5	162.3	-76.7	142.6	0	0	0	116.3
2084	L	26.3	Very low	32.9	Very low	140.4 Å²	140.4	103.5 Å²	103.5	74%	0.735	55%	0.55	S	S	*	.			trans	-81	147.8	164.9	-75.2	161.1	0	0	0	115.6	V2086	L2084-V2086 PolarHBondContact O-N 3.34Å
2085	P	27.1	Very low	33.2	Very low	115.8 Å²	115.8	101.7 Å²	101.7	75%	0.752	54%	0.536	S	S	*	.			trans	-75.4	122.5	-176.9	30	-33.3	0	0	0	112.1	N2122	P2085-N2122 WeakPolarHBondContact CA-ND2 3.2Å; P2085-N2122 WeakPolarHBondContact CA-OD1 3.23Å; P2085-N2122 WeakPolarHBondContact CB-OD1 3.04Å
2086	V	29.8	Very low	33.4	Very low	72.6 Å²	72.6	101.4 Å²	101.4	44%	0.44	54%	0.535	S	S	.	.			trans	-108.5	126.4	176.2	-180	0	0	0	0	109.5	I2046 L2084 S2088 N2122	I2046-V2086 HydrophobicContact CB-CG2 4.27Å; I2046-V2086 HydrophobicContact CD1-CG1 4.41Å; I2046-V2086 HydrophobicContact CD1-CG2 4.36Å; I2046-V2086 HydrophobicContact CG2-CG1 3.97Å; I2046-V2086 HydrophobicContact CG2-CG2 3.73Å; L2084-V2086 PolarHBondContact O-N 3.34Å; V2086-S2088 PolarHBondContact O-N 3.12Å; V2086-N2122 PolarHBondContact N-ND2 2.76Å; V2086-N2122 PolarHBondContact N-OD1 3.19Å; V2086-N2122 WeakPolarHBondContact O-CB 3.2Å; V2086-N2122 PolarHBondContact O-OD1 2.87Å
2087	Q	28.5	Very low	34	Very low	185.8 Å²	185.8	94.5 Å²	94.5	87%	0.868	51%	0.506	S	S	*	.			trans	-79.4	113.9	169.6	-70.4	-178.8	-15.7	0	0	109.5	I2089	Q2087-I2089 PolarHBondContact O-N 3.29Å
2088	S	34.1	Very low	34.4	Very low	51.4 Å²	51.4	95.2 Å²	95.2	36%	0.359	50%	0.502	S	S	.	.			trans	-99.2	128.4	178	52.7	0	0	0	0	111.8	V2086 Q2115 T2116 L2117 Q2124	V2086-S2088 PolarHBondContact O-N 3.12Å; S2088-Q2115 PolarHBondContact OG-O 3.02Å; S2088-Q2115 PolarHBondContact OG-OE1 3.23Å; S2088-T2116 WeakPolarHBondContact OG-CA 3.23Å; S2088-L2117 PolarHBondContact OG-N 3.16Å; S2088-Q2124 VanDerWaalsContact CB-NE2 3.31Å; S2088-Q2124 VanDerWaalsContact OG-CG 3.29Å; S2088-Q2124 WeakPolarHBondContact OG-CG 3.44Å; S2088-Q2124 PolarHBondContact OG-NE2 3.45Å
2089	I	34.9	Very low	34.9	Very low	90.2 Å²	90.2	89.9 Å²	89.9	46%	0.463	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-88.8	145.8	175.8	-67.2	176.9	0	0	0	109.1	V2050 W2051 F2052 Q2087 F2091	V2050-I2089 HydrophobicContact CG1-CD1 3.82Å; V2050-I2089 VanDerWaalsContact CG1-CD1 3.46Å; V2050-I2089 HydrophobicContact CG1-CG1 4.11Å; W2051-I2089 WeakPolarHBondContact O-CB 3.25Å; F2052-I2089 HydrophobicContact CD2-CD1 4.19Å; F2052-I2089 HydrophobicContact CD2-CG2 3.9Å; F2052-I2089 HydrophobicContact CE1-CG2 4.47Å; F2052-I2089 HydrophobicContact CE2-CD1 4.25Å; F2052-I2089 HydrophobicContact CE2-CG2 3.92Å; F2052-I2089 HydrophobicContact CG-CG2 4.36Å; F2052-I2089 HydrophobicContact CZ-CG2 4.18Å; Q2087-I2089 PolarHBondContact O-N 3.29Å; I2089-F2091 PolarHBondContact O-N 2.91Å
2090	P	35.6	Very low	35.4	Very low	68.2 Å²	68.2	89.1 Å²	89.1	44%	0.443	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-60.5	140.3	-174.3	21.2	-35	0	0	0	115	V2114 V2125	P2090-V2114 HydrophobicContact CB-CG1 4.32Å; P2090-V2114 HydrophobicContact CB-CG2 4.06Å; P2090-V2125 CarbonylContact C-O 3.51Å; P2090-V2125 WeakPolarHBondContact CA-O 2.8Å; P2090-V2125 HydrophobicContact CB-CB 3.99Å; P2090-V2125 HydrophobicContact CB-CG1 4.13Å; P2090-V2125 VanDerWaalsContact CB-O 3.3Å; P2090-V2125 WeakPolarHBondContact CB-O 2.98Å
2091	F	39	Very low	35.8	Very low	45.2 Å²	45.2	86.1 Å²	86.1	20%	0.198	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.2	167.7	-173.9	-93	0	0	0	110.3	F2019 L2040 I2041 N2042 F2053 I2072 P2074 I2089 C2093 S2112 L2113 V2125 I2126 T2127	F2019-F2091 HydrophobicContact CZ-CZ 4.38Å; L2040-F2091 HydrophobicContact CD1-CE2 3.77Å; L2040-F2091 HydrophobicContact CD1-CZ 3.94Å; L2040-F2091 HydrophobicContact CD2-CD1 4.05Å; L2040-F2091 HydrophobicContact CD2-CE1 4.2Å; I2041-F2091 WeakPolarHBondContact O-CD1 3.14Å; N2042-F2091 HydrophobicContact CB-CD2 4.42Å; N2042-F2091 HydrophobicContact CB-CE1 4.32Å; N2042-F2091 HydrophobicContact CB-CE2 3.7Å; N2042-F2091 HydrophobicContact CB-CZ 3.65Å; F2053-F2091 HydrophobicContact CB-CD2 4.07Å; F2053-F2091 HydrophobicContact CB-CE2 4.29Å; F2053-F2091 HydrophobicContact CD1-CD2 4.22Å; F2053-F2091 AromaticContact CD1-CE2 3.69Å; F2053-F2091 HydrophobicContact CD1-CE2 4.06Å; F2053-F2091 HydrophobicContact CE1-CE2 4.2Å; F2053-F2091 HydrophobicContact CG-CE2 4.34Å; I2072-F2091 HydrophobicContact CG2-CZ 4.47Å; P2074-F2091 HydrophobicContact CB-CE2 4.44Å; I2089-F2091 PolarHBondContact O-N 2.91Å; F2091-C2093 HydrophobicContact CD1-CB 4.33Å; F2091-C2093 HydrophobicContact CE1-CB 3.55Å; F2091-C2093 VanDerWaalsContact CE1-CB 3.48Å; F2091-C2093 HydrophobicContact CZ-CB 3.91Å; F2091-S2112 VanDerWaalsContact O-CA 3.29Å; F2091-S2112 WeakPolarHBondContact O-CA 3.46Å; F2091-L2113 HydrophobicContact CB-CB 4.3Å; F2091-L2113 HydrophobicContact CD1-CB 3.84Å; F2091-L2113 HydrophobicContact CE1-CB 4.16Å; F2091-L2113 HydrophobicContact CG-CB 4.47Å; F2091-L2113 PolarHBondContact N-O 3.25Å; F2091-L2113 PolarHBondContact O-N 3.2Å; F2091-L2113 VanDerWaalsContact O-N 3.11Å; F2091-V2125 PolarHBondContact N-O 3.44Å; F2091-I2126 HydrophobicContact CB-CG1 4.41Å; F2091-I2126 HydrophobicContact CD1-CG2 4.16Å; F2091-T2127 PolarHBondContact O-N 2.82Å; F2091-T2127 VanDerWaalsContact O-O 3.11Å; F2091-T2127 PolarHBondContact O-OG1 2.83Å; F2091-T2127 VanDerWaalsContact O-OG1 3.06Å
2092	Q	40.6	Very low	36.3	Very low	102.4 Å²	102.4	87 Å²	87	48%	0.479	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.6	175.4	-72.4	-175.2	-11.7	0	0	110.9	F2053 N2054 G2055 T2127	F2053-Q2092 PolarHBondContact O-N 2.89Å; F2053-Q2092 VanDerWaalsContact O-N 3.11Å; F2053-Q2092 VanDerWaalsContact O-O 3.09Å; N2054-Q2092 WeakPolarHBondContact CA-O 3.28Å; N2054-Q2092 PolarHBondContact ND2-OE1 3.09Å; N2054-Q2092 WeakPolarHBondContact OD1-CB 3.31Å; G2055-Q2092 PolarHBondContact N-O 2.98Å; Q2092-T2127 WeakPolarHBondContact CA-O 3.34Å; Q2092-T2127 WeakPolarHBondContact CG-OG1 3.24Å
2093	C	40.7	Very low	36.6	Very low	14.2 Å²	14.2	86.1 Å²	86.1	10%	0.096	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.7	175	-173.3	0	0	0	0	110.4	Q2039 L2040 G2055 F2091 M2111 T2127 N2129	Q2039-C2093 WeakPolarHBondContact O-CA 3.42Å; L2040-C2093 HydrophobicContact CD2-CB 3.83Å; G2055-C2093 WeakPolarHBondContact O-CA 3.13Å; F2091-C2093 HydrophobicContact CD1-CB 4.33Å; F2091-C2093 HydrophobicContact CE1-CB 3.55Å; F2091-C2093 VanDerWaalsContact CE1-CB 3.48Å; F2091-C2093 HydrophobicContact CZ-CB 3.91Å; C2093-M2111 PolarHBondContact N-O 3.08Å; C2093-M2111 CarbonylContact O-C 3.56Å; C2093-M2111 PolarHBondContact O-N 3.16Å; C2093-T2127 PolarHBondContact N-O 2.99Å; C2093-N2129 PolarHBondContact O-N 3.5Å
2094	L	39.7	Very low	37	Very low	72 Å²	72	80.4 Å²	80.4	38%	0.377	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.5	-178.7	-109.2	145.3	0	0	0	110.4	I2038 Q2039 G2055 S2056 I2057 L2096 L2108 N2110 N2129	I2038-L2094 WeakPolarHBondContact CA-O 3.42Å; Q2039-L2094 PolarHBondContact N-O 3.04Å; G2055-L2094 PolarHBondContact O-N 2.99Å; G2055-L2094 VanDerWaalsContact O-N 3.16Å; S2056-L2094 CarbonylContact C-O 3.46Å; S2056-L2094 WeakPolarHBondContact CA-O 3.4Å; S2056-L2094 WeakPolarHBondContact CB-O 3.35Å; I2057-L2094 PolarHBondContact N-O 3.12Å; L2094-L2096 HydrophobicContact CD2-CB 4.21Å; L2094-L2096 HydrophobicContact CD2-CD1 4.17Å; L2094-L2096 HydrophobicContact CD2-CG 4.43Å; L2094-L2108 HydrophobicContact CD2-CD2 3.78Å; L2094-N2110 HydrophobicContact CD2-CB 4.11Å; L2094-N2110 WeakPolarHBondContact CD2-OD1 3.14Å; L2094-N2129 WeakPolarHBondContact CA-O 3.16Å; L2094-N2129 HydrophobicContact CD1-CB 4.07Å
2095	I	43.1	Very low	37.3	Very low	16.4 Å²	16.4	80.6 Å²	80.6	8%	0.084	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.7	176.7	-55.1	172.9	0	0	0	108.8	I2036 D2037 I2038 I2057 L2067 I2070 I2072 I2097 F2109 M2111 L2128 N2129 Q2131	I2036-I2095 HydrophobicContact CG2-CG2 4.35Å; D2037-I2095 WeakPolarHBondContact O-CA 3.04Å; I2038-I2095 HydrophobicContact CB-CG1 4.48Å; I2038-I2095 HydrophobicContact CG1-CD1 4.39Å; I2038-I2095 HydrophobicContact CG1-CG1 4.18Å; I2038-I2095 HydrophobicContact CG2-CD1 4.33Å; I2038-I2095 HydrophobicContact CG2-CG1 4.17Å; I2057-I2095 HydrophobicContact CD1-CG1 4.47Å; I2057-I2095 CarbonylContact O-C 2.86Å; I2057-I2095 VanDerWaalsContact O-CA 3.31Å; I2057-I2095 WeakPolarHBondContact O-CA 3.23Å; L2067-I2095 HydrophobicContact CD2-CD1 3.53Å; I2070-I2095 HydrophobicContact CD1-CD1 3.8Å; I2070-I2095 HydrophobicContact CD1-CG2 4.11Å; I2072-I2095 HydrophobicContact CD1-CD1 3.65Å; I2095-I2097 HydrophobicContact CG2-CD1 4.19Å; I2095-I2097 HydrophobicContact CG2-CG1 4.1Å; I2095-F2109 HydrophobicContact CB-CB 4.03Å; I2095-F2109 HydrophobicContact CG2-CB 4.42Å; I2095-F2109 PolarHBondContact N-O 2.93Å; I2095-F2109 CarbonylContact O-C 3.54Å; I2095-F2109 WeakPolarHBondContact O-CA 3.41Å; I2095-F2109 WeakPolarHBondContact O-CB 3.44Å; I2095-F2109 PolarHBondContact O-N 3.15Å; I2095-F2109 VanDerWaalsContact O-O 3.09Å; I2095-M2111 HydrophobicContact CD1-CE 3.99Å; I2095-M2111 HydrophobicContact CD1-CG 4.3Å; I2095-M2111 HydrophobicContact CD1-SD 3.49Å; I2095-M2111 WeakPolarHBondContact CD1-SD 3.44Å; I2095-M2111 HydrophobicContact CG2-SD 4.36Å; I2095-L2128 HydrophobicContact CD1-CD2 4.14Å; I2095-N2129 PolarHBondContact N-O 3.35Å; I2095-Q2131 PolarHBondContact O-N 3.33Å
2096	L	41.7	Very low	37.6	Very low	52.8 Å²	52.8	81.3 Å²	81.3	28%	0.276	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.6	-179.1	-106.7	156.8	0	0	0	110	I2036 I2057 E2058 I2059 L2094 Q2098 W2106 L2108 Q2131 I2133	I2036-L2096 WeakPolarHBondContact CA-O 3.18Å; I2057-L2096 PolarHBondContact O-N 3.16Å; I2057-L2096 VanDerWaalsContact O-O 3.05Å; E2058-L2096 CarbonylContact C-O 2.87Å; E2058-L2096 VanDerWaalsContact CA-O 3.28Å; E2058-L2096 WeakPolarHBondContact CA-O 3.38Å; E2058-L2096 HydrophobicContact CB-CB 4.23Å; E2058-L2096 HydrophobicContact CB-CD2 4.35Å; E2058-L2096 HydrophobicContact CG-CB 4.19Å; E2058-L2096 HydrophobicContact CG-CD2 3.74Å; I2059-L2096 PolarHBondContact N-O 3.19Å; L2094-L2096 HydrophobicContact CD2-CB 4.21Å; L2094-L2096 HydrophobicContact CD2-CD1 4.17Å; L2094-L2096 HydrophobicContact CD2-CG 4.43Å; L2096-Q2098 HydrophobicContact CD2-CB 4.38Å; L2096-Q2098 HydrophobicContact CD2-CG 3.8Å; L2096-Q2098 HydrophobicContact CG-CG 4.39Å; L2096-W2106 HydrophobicContact CD2-CE3 4.27Å; L2096-L2108 HydrophobicContact CD2-CB 4.37Å; L2096-L2108 HydrophobicContact CD2-CD1 3.92Å; L2096-L2108 HydrophobicContact CD2-CG 3.8Å; L2096-Q2131 WeakPolarHBondContact CA-O 3.39Å; L2096-I2133 HydrophobicContact CD1-CD1 4.19Å; L2096-I2133 HydrophobicContact CD2-CD1 4.2Å; L2096-I2133 HydrophobicContact CG-CD1 4.42Å
2097	I	44.4	Very low	37.7	Very low	21.6 Å²	21.6	83.3 Å²	83.3	11%	0.111	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.1	-179.5	-52.6	-178.7	0	0	0	109	I2033 L2035 I2036 I2059 Y2062 L2063 I2070 I2095 W2106 K2107 F2109 Q2131 L2132 I2133 T2134	I2033-I2097 HydrophobicContact CG2-CG2 4.37Å; L2035-I2097 WeakPolarHBondContact O-CA 3.22Å; I2036-I2097 HydrophobicContact CB-CG1 4.47Å; I2036-I2097 HydrophobicContact CD1-CD1 4.41Å; I2036-I2097 HydrophobicContact CG1-CD1 4.32Å; I2036-I2097 HydrophobicContact CG1-CG1 4.12Å; I2036-I2097 HydrophobicContact CG2-CD1 4.35Å; I2036-I2097 HydrophobicContact CG2-CG1 4.07Å; I2059-I2097 HydrophobicContact CD1-CG1 4.46Å; Y2062-I2097 HydrophobicContact CD2-CG2 3.6Å; Y2062-I2097 HydrophobicContact CE2-CG2 4.13Å; Y2062-I2097 HydrophobicContact CG-CG2 3.95Å; L2063-I2097 HydrophobicContact CD2-CD1 4.21Å; L2063-I2097 HydrophobicContact CD2-CG2 4.42Å; I2070-I2097 HydrophobicContact CD1-CD1 4.15Å; I2095-I2097 HydrophobicContact CG2-CD1 4.19Å; I2095-I2097 HydrophobicContact CG2-CG1 4.1Å; I2097-W2106 HydrophobicContact CG2-CH2 3.26Å; I2097-W2106 HydrophobicContact CG2-CZ2 3.4Å; I2097-W2106 VanDerWaalsContact CG2-CZ2 3.4Å; I2097-W2106 HydrophobicContact CG2-CZ3 4.17Å; I2097-K2107 PolarHBondContact N-O 2.91Å; I2097-K2107 WeakPolarHBondContact O-CB 3.4Å; I2097-F2109 HydrophobicContact CD1-CD2 4.08Å; I2097-F2109 HydrophobicContact CD1-CE1 3.74Å; I2097-F2109 HydrophobicContact CD1-CE2 3.98Å; I2097-F2109 VanDerWaalsContact CD1-CE2 3.47Å; I2097-F2109 HydrophobicContact CD1-CZ 3.27Å; I2097-F2109 VanDerWaalsContact CD1-CZ 3.41Å; I2097-Q2131 PolarHBondContact N-O 3.09Å; I2097-L2132 HydrophobicContact CB-CD2 3.8Å; I2097-L2132 HydrophobicContact CD1-CD2 3.74Å; I2097-L2132 HydrophobicContact CG1-CD2 4.16Å; I2097-L2132 HydrophobicContact CG2-CD2 4.41Å; I2097-I2133 PolarHBondContact O-N 2.77Å; I2097-T2134 HydrophobicContact CG2-CG2 4.23Å
2098	Q	42	Very low	37.9	Very low	75.6 Å²	75.6	78.7 Å²	78.7	35%	0.353	41%	0.405	S	S	.	.			trans	-107.8	132.4	179.9	-72.4	-176	-7.8	0	0	111.6	I2033 Q2034 E2058 I2059 L2060 P2061 Y2062 L2096 W2106 I2133	I2033-Q2098 WeakPolarHBondContact CA-O 3.41Å; Q2034-Q2098 PolarHBondContact N-O 2.73Å; E2058-Q2098 VanDerWaalsContact OE1-CD 3.3Å; E2058-Q2098 PolarHBondContact OE1-NE2 3.04Å; E2058-Q2098 PolarHBondContact OE1-OE1 2.75Å; I2059-Q2098 PolarHBondContact O-N 2.92Å; I2059-Q2098 VanDerWaalsContact O-N 3.14Å; L2060-Q2098 WeakPolarHBondContact CA-O 3.49Å; L2060-Q2098 HydrophobicContact CD2-CB 3.53Å; L2060-Q2098 VanDerWaalsContact CD2-CB 3.44Å; L2060-Q2098 HydrophobicContact CD2-CG 3.34Å; L2060-Q2098 HydrophobicContact CG-CB 4.11Å; P2061-Q2098 WeakPolarHBondContact CD-O 3.35Å; Y2062-Q2098 PolarHBondContact N-O 2.92Å; L2096-Q2098 HydrophobicContact CD2-CB 4.38Å; L2096-Q2098 HydrophobicContact CD2-CG 3.8Å; L2096-Q2098 HydrophobicContact CG-CG 4.39Å; Q2098-W2106 HydrophobicContact CB-CH2 4.41Å; Q2098-W2106 HydrophobicContact CG-CE3 4.11Å; Q2098-W2106 HydrophobicContact CG-CH2 4.44Å; Q2098-W2106 HydrophobicContact CG-CZ3 3.91Å; Q2098-I2133 WeakPolarHBondContact CA-O 3.43Å; Q2098-I2133 HydrophobicContact CG-CB 3.84Å; Q2098-I2133 HydrophobicContact CG-CD1 3.8Å; Q2098-I2133 HydrophobicContact CG-CG1 4.33Å; Q2098-I2133 HydrophobicContact CG-CG2 4.23Å
2099	N	41.5	Very low	37.9	Very low	38.8 Å²	38.8	78.6 Å²	78.6	21%	0.207	40%	0.398	C	S	.	.			trans	-114.2	125.3	174.2	-174.2	13	0	0	0	109.7	N2032 I2033 P2061 Y2062 N2101 S2104 W2106 I2133 T2134	N2032-N2099 WeakPolarHBondContact CB-OD1 3.33Å; N2032-N2099 CarbonylContact O-C 2.78Å; N2032-N2099 VanDerWaalsContact O-C 3.32Å; N2032-N2099 WeakPolarHBondContact O-CA 3.39Å; N2032-N2099 PolarHBondContact O-OD1 2.83Å; N2032-N2099 VanDerWaalsContact O-OD1 3.14Å; I2033-N2099 HydrophobicContact CG1-CB 4.41Å; I2033-N2099 WeakPolarHBondContact CG1-OD1 3.46Å; P2061-N2099 PolarHBondContact O-OD1 3.45Å; Y2062-N2099 HydrophobicContact CD1-CB 4.42Å; Y2062-N2099 HydrophobicContact CG-CB 4.24Å; Y2062-N2099 PolarHBondContact O-OD1 3.06Å; Y2062-N2099 VanDerWaalsContact O-OD1 3.1Å; N2099-N2101 VanDerWaalsContact C-N 3.31Å; N2099-N2101 PolarHBondContact O-N 2.9Å; N2099-N2101 PolarHBondContact OD1-N 2.95Å; N2099-N2101 VanDerWaalsContact OD1-N 3.08Å; N2099-N2101 PolarHBondContact OD1-O 3.17Å; N2099-S2104 WeakPolarHBondContact CB-OG 3.41Å; N2099-S2104 VanDerWaalsContact CG-OG 3.27Å; N2099-S2104 PolarHBondContact ND2-O 2.77Å; N2099-S2104 PolarHBondContact ND2-OG 3.03Å; N2099-S2104 PolarHBondContact OD1-OG 3.38Å; N2099-W2106 HydrophobicContact CB-CZ2 4.45Å; N2099-W2106 PolarHBondContact ND2-NE1 2.92Å; N2099-W2106 WeakPolarHBondContact O-CZ2 2.92Å; N2099-I2133 PolarHBondContact N-O 2.73Å; N2099-T2134 HydrophobicContact CB-CG2 3.4Å
2100	T	42	Very low	37.7	Very low	85.8 Å²	85.8	76.9 Å²	76.9	53%	0.526	39%	0.39	S	S	.	.			trans	-92.5	4.5	-174.6	56.1	0	0	0	0	114.7	N2032 L2060 P2061	N2032-T2100 WeakPolarHBondContact CA-OG1 3.2Å; N2032-T2100 WeakPolarHBondContact CB-OG1 2.86Å; N2032-T2100 PolarHBondContact O-N 2.57Å; N2032-T2100 PolarHBondContact O-OG1 2.91Å; N2032-T2100 PolarHBondContact OD1-OG1 3.06Å; L2060-T2100 HydrophobicContact CD2-CG2 4.18Å; P2061-T2100 HydrophobicContact CB-CG2 3.91Å; P2061-T2100 WeakPolarHBondContact CB-OG1 3.22Å
2101	N	37.6	Very low	37.6	Very low	90 Å²	90	76.5 Å²	76.5	48%	0.481	38%	0.383	S	S	.	.			trans	-95.3	118.6	178.5	-109.7	-7.8	0	0	0	111.1	N2032 Y2062 N2099 N2103 S2104	N2032-N2101 HydrophobicContact CB-CB 4.32Å; N2032-N2101 WeakPolarHBondContact OD1-CB 3.36Å; N2032-N2101 PolarHBondContact OD1-N 2.6Å; Y2062-N2101 PolarHBondContact O-ND2 3.19Å; N2099-N2101 VanDerWaalsContact C-N 3.31Å; N2099-N2101 PolarHBondContact O-N 2.9Å; N2099-N2101 PolarHBondContact OD1-N 2.95Å; N2099-N2101 VanDerWaalsContact OD1-N 3.08Å; N2099-N2101 PolarHBondContact OD1-O 3.17Å; N2101-N2103 VanDerWaalsContact C-N 3.3Å; N2101-N2103 PolarHBondContact O-N 3.09Å; N2101-N2103 VanDerWaalsContact O-N 3.1Å; N2101-S2104 PolarHBondContact O-N 2.92Å; N2101-S2104 VanDerWaalsContact O-N 3.11Å; N2101-S2104 PolarHBondContact O-OG 3.09Å
2102	N	38.6	Very low	37.1	Very low	156 Å²	156	76.1 Å²	76.1	83%	0.834	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13	-174.7	-70.6	-8.6	0	0	0	115.8	S2104	N2102-S2104 VanDerWaalsContact C-N 3.25Å; N2102-S2104 PolarHBondContact O-N 2.7Å
2103	N	34.1	Very low	36.7	Very low	159.8 Å²	159.8	73.8 Å²	73.8	86%	0.855	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	15.4	-174	-69.1	-4.8	0	0	0	114.2	N2101	N2101-N2103 VanDerWaalsContact C-N 3.3Å; N2101-N2103 PolarHBondContact O-N 3.09Å; N2101-N2103 VanDerWaalsContact O-N 3.1Å
2104	S	36.4	Very low	36.1	Very low	33.2 Å²	33.2	75.8 Å²	75.8	23%	0.232	39%	0.388	C	S	.	.			trans	-113.3	120.6	-178.7	49.7	0	0	0	0	113.4	N2099 N2101 N2102	N2099-S2104 WeakPolarHBondContact CB-OG 3.41Å; N2099-S2104 VanDerWaalsContact CG-OG 3.27Å; N2099-S2104 PolarHBondContact ND2-O 2.77Å; N2099-S2104 PolarHBondContact ND2-OG 3.03Å; N2099-S2104 PolarHBondContact OD1-OG 3.38Å; N2101-S2104 PolarHBondContact O-N 2.92Å; N2101-S2104 VanDerWaalsContact O-N 3.11Å; N2101-S2104 PolarHBondContact O-OG 3.09Å; N2102-S2104 VanDerWaalsContact C-N 3.25Å; N2102-S2104 PolarHBondContact O-N 2.7Å
2105	E	31.4	Very low	35.7	Very low	144.8 Å²	144.8	75.4 Å²	75.4	68%	0.677	38%	0.384	S	S	*	.			trans	-76.7	144.7	174.5	-68.4	-174.3	155.1	0	0	112.3	P2064 K2107 T2134 P2135	P2064-E2105 CarbonylContact C-O 3.48Å; P2064-E2105 WeakPolarHBondContact CB-O 3.36Å; E2105-K2107 PolarHBondContact O-N 3.41Å; E2105-K2107 VanDerWaalsContact O-N 3.1Å; E2105-K2107 WeakPolarHBondContact OE2-CE 3.36Å; E2105-T2134 HydrophobicContact CB-CG2 3.44Å; E2105-T2134 VanDerWaalsContact CB-CG2 3.44Å; E2105-P2135 WeakPolarHBondContact OE2-CD 3.37Å
2106	W	35	Very low	35.1	Very low	131.4 Å²	131.4	77.7 Å²	77.7	50%	0.498	40%	0.4	S	S	.	.			trans	-82.3	124.1	-177.2	-65.2	61.3	0	0	0	111.3	I2059 P2061 L2096 I2097 Q2098 N2099 L2108 F2109 L2132 T2134 I2137	I2059-W2106 HydrophobicContact CG2-CH2 4.49Å; P2061-W2106 HydrophobicContact CB-CZ2 4.31Å; P2061-W2106 HydrophobicContact CG-CH2 3.68Å; P2061-W2106 HydrophobicContact CG-CZ2 3.04Å; L2096-W2106 HydrophobicContact CD2-CE3 4.27Å; I2097-W2106 HydrophobicContact CG2-CH2 3.26Å; I2097-W2106 HydrophobicContact CG2-CZ2 3.4Å; I2097-W2106 VanDerWaalsContact CG2-CZ2 3.4Å; I2097-W2106 HydrophobicContact CG2-CZ3 4.17Å; Q2098-W2106 HydrophobicContact CB-CH2 4.41Å; Q2098-W2106 HydrophobicContact CG-CE3 4.11Å; Q2098-W2106 HydrophobicContact CG-CH2 4.44Å; Q2098-W2106 HydrophobicContact CG-CZ3 3.91Å; N2099-W2106 HydrophobicContact CB-CZ2 4.45Å; N2099-W2106 PolarHBondContact ND2-NE1 2.92Å; N2099-W2106 WeakPolarHBondContact O-CZ2 2.92Å; W2106-L2108 PolarHBondContact O-N 2.86Å; W2106-F2109 HydrophobicContact CE3-CB 4.21Å; W2106-F2109 HydrophobicContact CE3-CD2 4.09Å; W2106-F2109 HydrophobicContact CE3-CE2 4.5Å; W2106-F2109 AromaticContact CZ3-CD2 3.63Å; W2106-F2109 HydrophobicContact CZ3-CD2 3.63Å; W2106-F2109 AromaticContact CZ3-CE2 3.72Å; W2106-F2109 HydrophobicContact CZ3-CE2 3.99Å; W2106-F2109 HydrophobicContact CZ3-CG 4.4Å; W2106-L2132 HydrophobicContact CH2-CD2 4.37Å; W2106-T2134 HydrophobicContact CH2-CG2 4.13Å; W2106-T2134 HydrophobicContact CZ2-CG2 3.7Å; W2106-I2137 HydrophobicContact CB-CG1 4.34Å; W2106-I2137 HydrophobicContact CG-CG1 4.38Å
2107	K	32.1	Very low	34.5	Very low	114.6 Å²	114.6	79.2 Å²	79.2	50%	0.498	41%	0.407	S	S	.	.			trans	-105.3	111.6	168.6	-72.1	-171.8	177.3	-178	0	111.7	N1439 Y2062 I2097 E2105 F2109 I2137	N1439-K2107 PolarHBondContact ND2-NZ 3.02Å; Y2062-K2107 VanDerWaalsContact CE1-NZ 3.29Å; Y2062-K2107 PolarHBondContact OH-NZ 2.86Å; I2097-K2107 PolarHBondContact N-O 2.91Å; I2097-K2107 WeakPolarHBondContact O-CB 3.4Å; E2105-K2107 PolarHBondContact O-N 3.41Å; E2105-K2107 VanDerWaalsContact O-N 3.1Å; E2105-K2107 WeakPolarHBondContact OE2-CE 3.36Å; K2107-F2109 HydrophobicContact CB-CE2 4.04Å; K2107-I2137 HydrophobicContact CD-CD1 3.76Å; K2107-I2137 HydrophobicContact CD-CG1 4.42Å; K2107-I2137 HydrophobicContact CG-CD1 4.17Å
2108	L	31	Very low	33.8	Very low	87.8 Å²	87.8	87.1 Å²	87.1	46%	0.46	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.4	-178.1	-134.4	148.5	0	0	0	111.2	L2067 L2094 L2096 W2106 N2110 I2133	L2067-L2108 HydrophobicContact CD2-CB 3.71Å; L2067-L2108 HydrophobicContact CD2-CD1 4.1Å; L2067-L2108 HydrophobicContact CD2-CG 4.37Å; L2067-L2108 HydrophobicContact CG-CB 4.11Å; L2094-L2108 HydrophobicContact CD2-CD2 3.78Å; L2096-L2108 HydrophobicContact CD2-CB 4.37Å; L2096-L2108 HydrophobicContact CD2-CD1 3.92Å; L2096-L2108 HydrophobicContact CD2-CG 3.8Å; W2106-L2108 PolarHBondContact O-N 2.86Å; L2108-N2110 HydrophobicContact CD2-CB 3.85Å; L2108-N2110 PolarHBondContact O-N 2.77Å; L2108-I2133 HydrophobicContact CD2-CD1 3.84Å
2109	F	34.5	Very low	33.2	Very low	50 Å²	50	89.3 Å²	89.3	22%	0.219	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.3	174.7	-110.4	-103.2	0	0	0	109.7	Y2062 L2067 T2068 I2070 I2095 I2097 W2106 K2107 M2111 I2130 L2132 L2139	Y2062-F2109 HydrophobicContact CE1-CE2 4.24Å; Y2062-F2109 HydrophobicContact CE2-CE2 4.27Å; Y2062-F2109 HydrophobicContact CE2-CZ 4.47Å; Y2062-F2109 AromaticContact CZ-CE2 3.78Å; L2067-F2109 HydrophobicContact CD2-CZ 3.96Å; T2068-F2109 WeakPolarHBondContact OG1-CE1 3.34Å; T2068-F2109 VanDerWaalsContact OG1-CZ 3.31Å; T2068-F2109 WeakPolarHBondContact OG1-CZ 3.24Å; I2070-F2109 HydrophobicContact CD1-CE2 3.69Å; I2070-F2109 HydrophobicContact CD1-CZ 3.81Å; I2070-F2109 HydrophobicContact CG1-CE2 4.31Å; I2095-F2109 HydrophobicContact CB-CB 4.03Å; I2095-F2109 HydrophobicContact CG2-CB 4.42Å; I2095-F2109 PolarHBondContact N-O 2.93Å; I2095-F2109 CarbonylContact O-C 3.54Å; I2095-F2109 WeakPolarHBondContact O-CA 3.41Å; I2095-F2109 WeakPolarHBondContact O-CB 3.44Å; I2095-F2109 PolarHBondContact O-N 3.15Å; I2095-F2109 VanDerWaalsContact O-O 3.09Å; I2097-F2109 HydrophobicContact CD1-CD2 4.08Å; I2097-F2109 HydrophobicContact CD1-CE1 3.74Å; I2097-F2109 HydrophobicContact CD1-CE2 3.98Å; I2097-F2109 VanDerWaalsContact CD1-CE2 3.47Å; I2097-F2109 HydrophobicContact CD1-CZ 3.27Å; I2097-F2109 VanDerWaalsContact CD1-CZ 3.41Å; W2106-F2109 HydrophobicContact CE3-CB 4.21Å; W2106-F2109 HydrophobicContact CE3-CD2 4.09Å; W2106-F2109 HydrophobicContact CE3-CE2 4.5Å; W2106-F2109 AromaticContact CZ3-CD2 3.63Å; W2106-F2109 HydrophobicContact CZ3-CD2 3.63Å; W2106-F2109 AromaticContact CZ3-CE2 3.72Å; W2106-F2109 HydrophobicContact CZ3-CE2 3.99Å; W2106-F2109 HydrophobicContact CZ3-CG 4.4Å; K2107-F2109 HydrophobicContact CB-CE2 4.04Å; F2109-M2111 HydrophobicContact CD1-CG 4.39Å; F2109-M2111 HydrophobicContact CE1-CB 4.45Å; F2109-M2111 HydrophobicContact CE1-CE 4.39Å; F2109-M2111 HydrophobicContact CE1-CG 3.41Å; F2109-M2111 VanDerWaalsContact CE1-CG 3.41Å; F2109-M2111 HydrophobicContact CE1-SD 4.21Å; F2109-M2111 HydrophobicContact CE2-CG 4.34Å; F2109-M2111 HydrophobicContact CZ-CG 3.35Å; F2109-M2111 HydrophobicContact CZ-SD 3.89Å; F2109-M2111 PolarHBondContact O-N 2.81Å; F2109-I2130 HydrophobicContact CB-CD1 4.44Å; F2109-I2130 HydrophobicContact CD1-CB 4.42Å; F2109-I2130 HydrophobicContact CD1-CD1 3.27Å; F2109-I2130 HydrophobicContact CD1-CG1 3.81Å; F2109-I2130 HydrophobicContact CD1-CG2 4.16Å; F2109-I2130 HydrophobicContact CD2-CD1 4.26Å; F2109-I2130 HydrophobicContact CE1-CB 4.01Å; F2109-I2130 HydrophobicContact CE1-CD1 3.39Å; F2109-I2130 HydrophobicContact CE1-CG1 3.35Å; F2109-I2130 HydrophobicContact CE1-CG2 3.93Å; F2109-I2130 HydrophobicContact CE2-CD1 4.32Å; F2109-I2130 HydrophobicContact CG-CD1 3.74Å; F2109-I2130 HydrophobicContact CZ-CD1 3.91Å; F2109-I2130 HydrophobicContact CZ-CG1 3.77Å; F2109-L2132 HydrophobicContact CD1-CD2 4.17Å; F2109-L2132 HydrophobicContact CD2-CD2 4.45Å; F2109-L2132 HydrophobicContact CE1-CD2 3.67Å; F2109-L2132 HydrophobicContact CE1-CG 4.37Å; F2109-L2132 HydrophobicContact CE2-CD2 3.81Å; F2109-L2132 HydrophobicContact CZ-CD2 3.92Å; F2109-L2132 VanDerWaalsContact CZ-CD2 3.46Å; F2109-L2132 HydrophobicContact CZ-CG 4.46Å; F2109-L2139 HydrophobicContact CD1-CD2 3.66Å; F2109-L2139 HydrophobicContact CE1-CD2 4.38Å
2110	N	30.1	Very low	32.6	Very low	55 Å²	55	96.5 Å²	96.5	29%	0.294	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.9	173.7	-113.4	-6.3	0	0	0	109.3	T2068 F2069 I2070 L2094 L2108 N2129 Q2131 I2133	T2068-N2110 PolarHBondContact O-N 3.32Å; T2068-N2110 VanDerWaalsContact O-O 3.11Å; F2069-N2110 WeakPolarHBondContact CA-O 3.38Å; F2069-N2110 HydrophobicContact CD1-CB 3.96Å; F2069-N2110 HydrophobicContact CE1-CB 3.72Å; F2069-N2110 HydrophobicContact CE2-CB 4.44Å; F2069-N2110 HydrophobicContact CG-CB 4.43Å; F2069-N2110 HydrophobicContact CZ-CB 4Å; F2069-N2110 WeakPolarHBondContact CZ-ND2 3.47Å; I2070-N2110 PolarHBondContact N-O 2.78Å; L2094-N2110 HydrophobicContact CD2-CB 4.11Å; L2094-N2110 WeakPolarHBondContact CD2-OD1 3.14Å; L2108-N2110 HydrophobicContact CD2-CB 3.85Å; L2108-N2110 PolarHBondContact O-N 2.77Å; N2110-N2129 VanDerWaalsContact O-O 3.12Å; N2110-Q2131 HydrophobicContact CB-CB 4.08Å; N2110-Q2131 PolarHBondContact N-O 2.79Å; N2110-Q2131 PolarHBondContact O-N 3.07Å; N2110-I2133 HydrophobicContact CB-CD1 4.24Å
2111	M	33.8	Very low	32.1	Very low	60 Å²	60	96.9 Å²	96.9	30%	0.296	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.3	171.9	-76.8	-122.3	-68.7	0	0	109.8	I2070 I2072 C2093 I2095 F2109 L2113 L2128 N2129 I2130 T2143	I2070-M2111 HydrophobicContact CB-CG 4.12Å; I2070-M2111 HydrophobicContact CB-SD 4.14Å; I2070-M2111 HydrophobicContact CD1-CG 4.47Å; I2070-M2111 HydrophobicContact CD1-SD 4.24Å; I2070-M2111 HydrophobicContact CG1-SD 4.43Å; I2070-M2111 HydrophobicContact CG2-SD 4.37Å; I2072-M2111 HydrophobicContact CB-CE 4.21Å; I2072-M2111 HydrophobicContact CD1-CE 3.77Å; I2072-M2111 HydrophobicContact CG1-CE 3.9Å; C2093-M2111 PolarHBondContact N-O 3.08Å; C2093-M2111 CarbonylContact O-C 3.56Å; C2093-M2111 PolarHBondContact O-N 3.16Å; I2095-M2111 HydrophobicContact CD1-CE 3.99Å; I2095-M2111 HydrophobicContact CD1-CG 4.3Å; I2095-M2111 HydrophobicContact CD1-SD 3.49Å; I2095-M2111 WeakPolarHBondContact CD1-SD 3.44Å; I2095-M2111 HydrophobicContact CG2-SD 4.36Å; F2109-M2111 HydrophobicContact CD1-CG 4.39Å; F2109-M2111 HydrophobicContact CE1-CB 4.45Å; F2109-M2111 HydrophobicContact CE1-CE 4.39Å; F2109-M2111 HydrophobicContact CE1-CG 3.41Å; F2109-M2111 VanDerWaalsContact CE1-CG 3.41Å; F2109-M2111 HydrophobicContact CE1-SD 4.21Å; F2109-M2111 HydrophobicContact CE2-CG 4.34Å; F2109-M2111 HydrophobicContact CZ-CG 3.35Å; F2109-M2111 HydrophobicContact CZ-SD 3.89Å; F2109-M2111 PolarHBondContact O-N 2.81Å; M2111-L2113 PolarHBondContact O-N 2.92Å; M2111-L2128 HydrophobicContact CE-CD2 4.07Å; M2111-L2128 HydrophobicContact SD-CD2 4.2Å; M2111-N2129 WeakPolarHBondContact CA-O 3.29Å; M2111-I2130 HydrophobicContact CE-CD1 3.52Å; M2111-I2130 HydrophobicContact CE-CG1 4.11Å; M2111-I2130 HydrophobicContact CG-CD1 4.49Å; M2111-I2130 HydrophobicContact SD-CB 4.42Å; M2111-I2130 HydrophobicContact SD-CD1 4.33Å; M2111-I2130 HydrophobicContact SD-CG1 3.93Å; M2111-I2130 HydrophobicContact SD-CG2 4.25Å; M2111-T2143 PolarHBondContact O-N 3.42Å; M2111-T2143 PolarHBondContact O-OG1 3.11Å
2112	S	29.6	Very low	31.6	Very low	35.8 Å²	35.8	98.5 Å²	98.5	25%	0.25	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.2	170.1	60.3	0	0	0	0	110	F2069 I2070 I2071 F2091 N2129	F2069-S2112 WeakPolarHBondContact CD1-OG 3.48Å; F2069-S2112 WeakPolarHBondContact CE1-OG 3.48Å; I2070-S2112 PolarHBondContact O-N 2.78Å; I2070-S2112 VanDerWaalsContact O-N 3.1Å; I2071-S2112 WeakPolarHBondContact CG1-OG 3.22Å; F2091-S2112 VanDerWaalsContact O-CA 3.29Å; F2091-S2112 WeakPolarHBondContact O-CA 3.46Å; S2112-N2129 PolarHBondContact N-O 2.82Å; S2112-N2129 PolarHBondContact O-N 3.1Å; S2112-N2129 WeakPolarHBondContact OG-CB 3.46Å; S2112-N2129 PolarHBondContact OG-O 3.05Å
2113	L	31	Very low	31.1	Very low	54.2 Å²	54.2	96.4 Å²	96.4	28%	0.284	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.9	174.1	-168.8	106.7	0	0	0	108.8	I2072 P2074 F2091 M2111 Q2115 I2126 L2128 M2144	I2072-L2113 HydrophobicContact CB-CD1 4.13Å; I2072-L2113 HydrophobicContact CG2-CD1 4.47Å; P2074-L2113 HydrophobicContact CB-CD1 4.23Å; P2074-L2113 HydrophobicContact CB-CD2 3.74Å; F2091-L2113 HydrophobicContact CB-CB 4.3Å; F2091-L2113 HydrophobicContact CD1-CB 3.84Å; F2091-L2113 HydrophobicContact CE1-CB 4.16Å; F2091-L2113 HydrophobicContact CG-CB 4.47Å; F2091-L2113 PolarHBondContact N-O 3.25Å; F2091-L2113 PolarHBondContact O-N 3.2Å; F2091-L2113 VanDerWaalsContact O-N 3.11Å; M2111-L2113 PolarHBondContact O-N 2.92Å; L2113-Q2115 PolarHBondContact O-N 3.01Å; L2113-I2126 HydrophobicContact CD1-CG2 3.8Å; L2113-I2126 HydrophobicContact CD2-CD1 4.05Å; L2113-I2126 HydrophobicContact CD2-CG2 4.46Å; L2113-L2128 HydrophobicContact CD1-CB 4.45Å; L2113-L2128 HydrophobicContact CD1-CD1 3.88Å; L2113-L2128 HydrophobicContact CD1-CG 4.11Å; L2113-L2128 HydrophobicContact CD2-CD1 4.19Å; L2113-L2128 HydrophobicContact CG-CD1 4.42Å; L2113-M2144 HydrophobicContact CB-SD 3.82Å; L2113-M2144 HydrophobicContact CD2-CE 4.19Å; L2113-M2144 HydrophobicContact CD2-SD 3.81Å; L2113-M2144 HydrophobicContact CG-SD 4.46Å
2114	V	29.2	Very low	30.9	Very low	56.8 Å²	56.8	94.3 Å²	94.3	34%	0.344	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113	177.9	176.8	0	0	0	0	108.6	I2071 I2072 P2090 T2116 I2126 T2127	I2071-V2114 HydrophobicContact CG2-CG2 4.35Å; I2072-V2114 PolarHBondContact O-N 2.75Å; P2090-V2114 HydrophobicContact CB-CG1 4.32Å; P2090-V2114 HydrophobicContact CB-CG2 4.06Å; V2114-T2116 HydrophobicContact CG1-CG2 4.26Å; V2114-I2126 WeakPolarHBondContact CB-O 3.25Å; V2114-I2126 WeakPolarHBondContact CG1-O 3.32Å; V2114-I2126 WeakPolarHBondContact CG2-O 3.36Å; V2114-T2127 HydrophobicContact CG1-CG2 4.34Å; V2114-T2127 PolarHBondContact N-O 3.37Å; V2114-T2127 VanDerWaalsContact N-O 3.14Å; V2114-T2127 PolarHBondContact O-N 3.02Å; V2114-T2127 VanDerWaalsContact O-N 3.1Å; V2114-T2127 PolarHBondContact O-OG1 3.13Å; V2114-T2127 VanDerWaalsContact O-OG1 3.11Å
2115	Q	31.1	Very low	30.5	Very low	62.2 Å²	62.2	96.4 Å²	96.4	29%	0.291	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.1	178.6	-167.5	177.2	14.6	0	0	109.2	P2074 S2088 L2113 L2117 I2126	P2074-Q2115 HydrophobicContact CG-CG 4.38Å; S2088-Q2115 PolarHBondContact OG-O 3.02Å; S2088-Q2115 PolarHBondContact OG-OE1 3.23Å; L2113-Q2115 PolarHBondContact O-N 3.01Å; Q2115-L2117 HydrophobicContact CG-CD1 4.36Å; Q2115-L2117 HydrophobicContact CG-CG 4.05Å; Q2115-I2126 VanDerWaalsContact CD-CD1 3.48Å
2116	T	29.7	Very low	30.5	Very low	65.8 Å²	65.8	93.2 Å²	93.2	40%	0.404	47%	0.469	S	S	.	.			trans	-104.5	108.8	171.9	46.4	0	0	0	0	110.4	S2088 V2114 Y2118 V2125	S2088-T2116 WeakPolarHBondContact OG-CA 3.23Å; V2114-T2116 HydrophobicContact CG1-CG2 4.26Å; T2116-Y2118 PolarHBondContact O-N 2.98Å; T2116-V2125 HydrophobicContact CG2-CB 4.1Å; T2116-V2125 HydrophobicContact CG2-CG1 3.77Å; T2116-V2125 HydrophobicContact CG2-CG2 3.76Å; T2116-V2125 PolarHBondContact N-O 3.16Å
2117	L	29.8	Very low	30.2	Very low	84 Å²	84	90 Å²	90	44%	0.44	46%	0.464	S	S	.	.			trans	-87.6	100.7	171.2	-75.7	165.2	0	0	0	109.8	S2088 Q2115 N2119	S2088-L2117 PolarHBondContact OG-N 3.16Å; Q2115-L2117 HydrophobicContact CG-CD1 4.36Å; Q2115-L2117 HydrophobicContact CG-CG 4.05Å; L2117-N2119 PolarHBondContact O-N 2.99Å; L2117-N2119 VanDerWaalsContact O-N 3.1Å
2118	Y	29.2	Very low	30.2	Very low	186.8 Å²	186.8	88.2 Å²	88.2	73%	0.733	46%	0.46	S	S	*	.			trans	-91.1	96.3	164.7	-89.2	-84.7	0	0	0	109.4	T2116 Q2120 I2123	T2116-Y2118 PolarHBondContact O-N 2.98Å; Y2118-Q2120 PolarHBondContact O-N 3.17Å; Y2118-I2123 HydrophobicContact CE1-CD1 3.88Å; Y2118-I2123 HydrophobicContact CE1-CG1 4.28Å
2119	N	28.8	Very low	30.1	Very low	123 Å²	123	89.1 Å²	89.1	66%	0.658	47%	0.465	S	S	*	.	S	Bend	trans	-121.9	123	162.3	-97.3	-11.4	0	0	0	111.5	L2117 S2121 N2122	L2117-N2119 PolarHBondContact O-N 2.99Å; L2117-N2119 VanDerWaalsContact O-N 3.1Å; N2119-S2121 PolarHBondContact O-N 2.94Å; N2119-S2121 VanDerWaalsContact O-N 3.12Å; N2119-N2122 PolarHBondContact O-N 2.93Å
2120	Q	30.1	Very low	30	Very low	189.2 Å²	189.2	90.7 Å²	90.7	88%	0.884	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	47.4	177.1	-86.5	172.8	-9.2	0	0	113.2	D2081 Y2118	D2081-Q2120 PolarHBondContact OD1-NE2 2.8Å; Y2118-Q2120 PolarHBondContact O-N 3.17Å
2121	S	30.6	Very low	30	Very low	94.4 Å²	94.4	93.7 Å²	93.7	66%	0.66	49%	0.487	S	S	*	.	S	Bend	trans	-174.4	21.7	169.8	54	0	0	0	0	116.4	N2119 I2123	N2119-S2121 PolarHBondContact O-N 2.94Å; N2119-S2121 VanDerWaalsContact O-N 3.12Å; S2121-I2123 PolarHBondContact O-N 3.15Å
2122	N	28	Very low	29.9	Very low	124.2 Å²	124.2	95.5 Å²	95.5	66%	0.664	50%	0.497	S	S	*	.			trans	-105	103.1	-179.7	-71	-28.7	0	0	0	114.6	P2085 V2086 N2119 Q2124	P2085-N2122 WeakPolarHBondContact CA-ND2 3.2Å; P2085-N2122 WeakPolarHBondContact CA-OD1 3.23Å; P2085-N2122 WeakPolarHBondContact CB-OD1 3.04Å; V2086-N2122 PolarHBondContact N-ND2 2.76Å; V2086-N2122 PolarHBondContact N-OD1 3.19Å; V2086-N2122 WeakPolarHBondContact O-CB 3.2Å; V2086-N2122 PolarHBondContact O-OD1 2.87Å; N2119-N2122 PolarHBondContact O-N 2.93Å; N2122-Q2124 PolarHBondContact O-N 2.76Å
2123	I	27.9	Very low	30.1	Very low	110.6 Å²	110.6	98.9 Å²	98.9	57%	0.567	51%	0.512	S	S	*	.			trans	-104	110	172.5	-58.5	168.9	0	0	0	109.1	Y2118 S2121 V2125 Q2157 T2159	Y2118-I2123 HydrophobicContact CE1-CD1 3.88Å; Y2118-I2123 HydrophobicContact CE1-CG1 4.28Å; S2121-I2123 PolarHBondContact O-N 3.15Å; I2123-V2125 HydrophobicContact CG2-CG2 3.74Å; I2123-V2125 PolarHBondContact O-N 2.94Å; I2123-Q2157 HydrophobicContact CD1-CB 4.46Å; I2123-Q2157 HydrophobicContact CG1-CB 4.44Å; I2123-Q2157 WeakPolarHBondContact CG2-O 3.29Å; I2123-T2159 HydrophobicContact CD1-CG2 3.86Å
2124	Q	29	Very low	30.1	Very low	116.4 Å²	116.4	100 Å²	100	54%	0.544	52%	0.521	S	S	.	.			trans	-93.2	116.4	165.3	-74.4	-176.1	-12.9	0	0	109.3	S2088 N2122 I2126	S2088-Q2124 VanDerWaalsContact CB-NE2 3.31Å; S2088-Q2124 VanDerWaalsContact OG-CG 3.29Å; S2088-Q2124 WeakPolarHBondContact OG-CG 3.44Å; S2088-Q2124 PolarHBondContact OG-NE2 3.45Å; N2122-Q2124 PolarHBondContact O-N 2.76Å; Q2124-I2126 PolarHBondContact O-N 3.02Å
2125	V	29.1	Very low	30	Very low	78 Å²	78	100.8 Å²	100.8	47%	0.473	53%	0.527	S	S	.	.			trans	-90	118.1	175.2	-176.2	0	0	0	0	108.8	P2090 F2091 T2116 I2123 T2127	P2090-V2125 CarbonylContact C-O 3.51Å; P2090-V2125 WeakPolarHBondContact CA-O 2.8Å; P2090-V2125 HydrophobicContact CB-CB 3.99Å; P2090-V2125 HydrophobicContact CB-CG1 4.13Å; P2090-V2125 VanDerWaalsContact CB-O 3.3Å; P2090-V2125 WeakPolarHBondContact CB-O 2.98Å; F2091-V2125 PolarHBondContact N-O 3.44Å; T2116-V2125 HydrophobicContact CG2-CB 4.1Å; T2116-V2125 HydrophobicContact CG2-CG1 3.77Å; T2116-V2125 HydrophobicContact CG2-CG2 3.76Å; T2116-V2125 PolarHBondContact N-O 3.16Å; I2123-V2125 HydrophobicContact CG2-CG2 3.74Å; I2123-V2125 PolarHBondContact O-N 2.94Å; V2125-T2127 HydrophobicContact CG1-CG2 4.24Å
2126	I	30.1	Very low	29.8	Very low	76.8 Å²	76.8	106.9 Å²	106.9	39%	0.394	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	109.2	174.3	-59.8	173.1	0	0	0	108.2	P2074 F2091 L2113 V2114 Q2115 Q2124 L2128	P2074-I2126 HydrophobicContact CG-CD1 4.25Å; F2091-I2126 HydrophobicContact CB-CG1 4.41Å; F2091-I2126 HydrophobicContact CD1-CG2 4.16Å; L2113-I2126 HydrophobicContact CD1-CG2 3.8Å; L2113-I2126 HydrophobicContact CD2-CD1 4.05Å; L2113-I2126 HydrophobicContact CD2-CG2 4.46Å; V2114-I2126 WeakPolarHBondContact CB-O 3.25Å; V2114-I2126 WeakPolarHBondContact CG1-O 3.32Å; V2114-I2126 WeakPolarHBondContact CG2-O 3.36Å; Q2115-I2126 VanDerWaalsContact CD-CD1 3.48Å; Q2124-I2126 PolarHBondContact O-N 3.02Å; I2126-L2128 HydrophobicContact CG2-CB 4.12Å; I2126-L2128 HydrophobicContact CG2-CD1 4.48Å; I2126-L2128 PolarHBondContact O-N 2.79Å
2127	T	30.2	Very low	29.7	Very low	64.8 Å²	64.8	108.8 Å²	108.8	40%	0.398	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.8	0	177.7	28.7	0	0	0	0	111.5	F2091 Q2092 C2093 V2114 V2125	F2091-T2127 PolarHBondContact O-N 2.82Å; F2091-T2127 VanDerWaalsContact O-O 3.11Å; F2091-T2127 PolarHBondContact O-OG1 2.83Å; F2091-T2127 VanDerWaalsContact O-OG1 3.06Å; Q2092-T2127 WeakPolarHBondContact CA-O 3.34Å; Q2092-T2127 WeakPolarHBondContact CG-OG1 3.24Å; C2093-T2127 PolarHBondContact N-O 2.99Å; V2114-T2127 HydrophobicContact CG1-CG2 4.34Å; V2114-T2127 PolarHBondContact N-O 3.37Å; V2114-T2127 VanDerWaalsContact N-O 3.14Å; V2114-T2127 PolarHBondContact O-N 3.02Å; V2114-T2127 VanDerWaalsContact O-N 3.1Å; V2114-T2127 PolarHBondContact O-OG1 3.13Å; V2114-T2127 VanDerWaalsContact O-OG1 3.11Å; V2125-T2127 HydrophobicContact CG1-CG2 4.24Å
2128	L	31.3	Very low	29.4	Very low	75.6 Å²	75.6	116.2 Å²	116.2	40%	0.396	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)		0	0	0	-143.8	154.4	0	0	0	111.1	I2072 I2095 M2111 L2113 I2126 I2130	I2072-L2128 HydrophobicContact CD1-CD1 4.08Å; I2095-L2128 HydrophobicContact CD1-CD2 4.14Å; M2111-L2128 HydrophobicContact CE-CD2 4.07Å; M2111-L2128 HydrophobicContact SD-CD2 4.2Å; L2113-L2128 HydrophobicContact CD1-CB 4.45Å; L2113-L2128 HydrophobicContact CD1-CD1 3.88Å; L2113-L2128 HydrophobicContact CD1-CG 4.11Å; L2113-L2128 HydrophobicContact CD2-CD1 4.19Å; L2113-L2128 HydrophobicContact CG-CD1 4.42Å; I2126-L2128 HydrophobicContact CG2-CB 4.12Å; I2126-L2128 HydrophobicContact CG2-CD1 4.48Å; I2126-L2128 PolarHBondContact O-N 2.79Å; L2128-I2130 HydrophobicContact CD2-CD1 3.93Å; L2128-I2130 HydrophobicContact CD2-CG1 3.45Å; L2128-I2130 VanDerWaalsContact CD2-CG1 3.46Å; L2128-I2130 PolarHBondContact O-N 3.02Å
2129	N	29.4	Very low	29.3	Very low	106.6 Å²	106.6	112.1 Å²	112.1	57%	0.57	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)		0	0	0	-73.5	-13.9	0	0	0	114.4	C2093 L2094 I2095 N2110 M2111 S2112 Q2131	C2093-N2129 PolarHBondContact O-N 3.5Å; L2094-N2129 WeakPolarHBondContact CA-O 3.16Å; L2094-N2129 HydrophobicContact CD1-CB 4.07Å; I2095-N2129 PolarHBondContact N-O 3.35Å; N2110-N2129 VanDerWaalsContact O-O 3.12Å; M2111-N2129 WeakPolarHBondContact CA-O 3.29Å; S2112-N2129 PolarHBondContact N-O 2.82Å; S2112-N2129 PolarHBondContact O-N 3.1Å; S2112-N2129 WeakPolarHBondContact OG-CB 3.46Å; S2112-N2129 PolarHBondContact OG-O 3.05Å; N2129-Q2131 PolarHBondContact O-N 2.8Å
2130	I	32.4	Very low	29	Very low	84 Å²	84	109.8 Å²	109.8	43%	0.431	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)		0	0	0	-64	171.9	0	0	0	113.9	F2109 M2111 L2128 L2132 I2142	F2109-I2130 HydrophobicContact CB-CD1 4.44Å; F2109-I2130 HydrophobicContact CD1-CB 4.42Å; F2109-I2130 HydrophobicContact CD1-CD1 3.27Å; F2109-I2130 HydrophobicContact CD1-CG1 3.81Å; F2109-I2130 HydrophobicContact CD1-CG2 4.16Å; F2109-I2130 HydrophobicContact CD2-CD1 4.26Å; F2109-I2130 HydrophobicContact CE1-CB 4.01Å; F2109-I2130 HydrophobicContact CE1-CD1 3.39Å; F2109-I2130 HydrophobicContact CE1-CG1 3.35Å; F2109-I2130 HydrophobicContact CE1-CG2 3.93Å; F2109-I2130 HydrophobicContact CE2-CD1 4.32Å; F2109-I2130 HydrophobicContact CG-CD1 3.74Å; F2109-I2130 HydrophobicContact CZ-CD1 3.91Å; F2109-I2130 HydrophobicContact CZ-CG1 3.77Å; M2111-I2130 HydrophobicContact CE-CD1 3.52Å; M2111-I2130 HydrophobicContact CE-CG1 4.11Å; M2111-I2130 HydrophobicContact CG-CD1 4.49Å; M2111-I2130 HydrophobicContact SD-CB 4.42Å; M2111-I2130 HydrophobicContact SD-CD1 4.33Å; M2111-I2130 HydrophobicContact SD-CG1 3.93Å; M2111-I2130 HydrophobicContact SD-CG2 4.25Å; L2128-I2130 HydrophobicContact CD2-CD1 3.93Å; L2128-I2130 HydrophobicContact CD2-CG1 3.45Å; L2128-I2130 VanDerWaalsContact CD2-CG1 3.46Å; L2128-I2130 PolarHBondContact O-N 3.02Å; I2130-L2132 HydrophobicContact CG2-CD1 4.29Å; I2130-L2132 HydrophobicContact CG2-CD2 4.05Å; I2130-L2132 HydrophobicContact CG2-CG 4.21Å; I2130-L2132 PolarHBondContact O-N 3.13Å; I2130-L2132 VanDerWaalsContact O-N 3.15Å; I2130-I2142 HydrophobicContact CD1-CD1 4.08Å
2131	Q	30.8	Very low	28.7	Very low	119.4 Å²	119.4	109.2 Å²	109.2	56%	0.558	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)		0	0	0	-132.5	177.1	5	0	0	115.4	I2095 L2096 I2097 N2110 N2129 I2133	I2095-Q2131 PolarHBondContact O-N 3.33Å; L2096-Q2131 WeakPolarHBondContact CA-O 3.39Å; I2097-Q2131 PolarHBondContact N-O 3.09Å; N2110-Q2131 HydrophobicContact CB-CB 4.08Å; N2110-Q2131 PolarHBondContact N-O 2.79Å; N2110-Q2131 PolarHBondContact O-N 3.07Å; N2129-Q2131 PolarHBondContact O-N 2.8Å; Q2131-I2133 VanDerWaalsContact C-N 3.33Å; Q2131-I2133 HydrophobicContact CG-CG1 4.43Å; Q2131-I2133 PolarHBondContact O-N 3.19Å
2132	L	31.3	Very low	28.4	Very low	96 Å²	96	109.2 Å²	109.2	50%	0.503	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-77.5	155	0	0	0	115.2	I2097 W2106 F2109 I2130 T2134 I2137 L2139 I2168	I2097-L2132 HydrophobicContact CB-CD2 3.8Å; I2097-L2132 HydrophobicContact CD1-CD2 3.74Å; I2097-L2132 HydrophobicContact CG1-CD2 4.16Å; I2097-L2132 HydrophobicContact CG2-CD2 4.41Å; W2106-L2132 HydrophobicContact CH2-CD2 4.37Å; F2109-L2132 HydrophobicContact CD1-CD2 4.17Å; F2109-L2132 HydrophobicContact CD2-CD2 4.45Å; F2109-L2132 HydrophobicContact CE1-CD2 3.67Å; F2109-L2132 HydrophobicContact CE1-CG 4.37Å; F2109-L2132 HydrophobicContact CE2-CD2 3.81Å; F2109-L2132 HydrophobicContact CZ-CD2 3.92Å; F2109-L2132 VanDerWaalsContact CZ-CD2 3.46Å; F2109-L2132 HydrophobicContact CZ-CG 4.46Å; I2130-L2132 HydrophobicContact CG2-CD1 4.29Å; I2130-L2132 HydrophobicContact CG2-CD2 4.05Å; I2130-L2132 HydrophobicContact CG2-CG 4.21Å; I2130-L2132 PolarHBondContact O-N 3.13Å; I2130-L2132 VanDerWaalsContact O-N 3.15Å; L2132-T2134 VanDerWaalsContact C-N 3.29Å; L2132-T2134 PolarHBondContact O-N 3.09Å; L2132-T2134 VanDerWaalsContact O-N 3.14Å; L2132-I2137 HydrophobicContact CB-CD1 3.92Å; L2132-I2137 HydrophobicContact CD1-CD1 3.74Å; L2132-I2137 HydrophobicContact CD2-CD1 3.6Å; L2132-I2137 HydrophobicContact CG-CD1 3.93Å; L2132-L2139 HydrophobicContact CD1-CD1 3.69Å; L2132-L2139 HydrophobicContact CD1-CD2 4.35Å; L2132-L2139 HydrophobicContact CD1-CG 4.16Å; L2132-I2168 WeakPolarHBondContact O-CD1 3.32Å
2133	I	32.3	Very low	28.1	Very low	108.6 Å²	108.6	107.7 Å²	107.7	56%	0.557	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)		0	0	0	-45.3	171.3	0	0	0	113.5	L2096 I2097 Q2098 N2099 L2108 N2110 Q2131	L2096-I2133 HydrophobicContact CD1-CD1 4.19Å; L2096-I2133 HydrophobicContact CD2-CD1 4.2Å; L2096-I2133 HydrophobicContact CG-CD1 4.42Å; I2097-I2133 PolarHBondContact O-N 2.77Å; Q2098-I2133 WeakPolarHBondContact CA-O 3.43Å; Q2098-I2133 HydrophobicContact CG-CB 3.84Å; Q2098-I2133 HydrophobicContact CG-CD1 3.8Å; Q2098-I2133 HydrophobicContact CG-CG1 4.33Å; Q2098-I2133 HydrophobicContact CG-CG2 4.23Å; N2099-I2133 PolarHBondContact N-O 2.73Å; L2108-I2133 HydrophobicContact CD2-CD1 3.84Å; N2110-I2133 HydrophobicContact CB-CD1 4.24Å; Q2131-I2133 VanDerWaalsContact C-N 3.33Å; Q2131-I2133 HydrophobicContact CG-CG1 4.43Å; Q2131-I2133 PolarHBondContact O-N 3.19Å
2134	T	30.9	Very low	27.9	Very low	75.8 Å²	75.8	107 Å²	107	47%	0.465	54%	0.535	S	S	.	.				0	0	0	43.5	0	0	0	0	115.9	I2097 N2099 E2105 W2106 L2132 Y2136 I2137	I2097-T2134 HydrophobicContact CG2-CG2 4.23Å; N2099-T2134 HydrophobicContact CB-CG2 3.4Å; E2105-T2134 HydrophobicContact CB-CG2 3.44Å; E2105-T2134 VanDerWaalsContact CB-CG2 3.44Å; W2106-T2134 HydrophobicContact CH2-CG2 4.13Å; W2106-T2134 HydrophobicContact CZ2-CG2 3.7Å; L2132-T2134 VanDerWaalsContact C-N 3.29Å; L2132-T2134 PolarHBondContact O-N 3.09Å; L2132-T2134 VanDerWaalsContact O-N 3.14Å; T2134-Y2136 VanDerWaalsContact C-N 3.25Å; T2134-Y2136 PolarHBondContact O-N 2.82Å; T2134-I2137 HydrophobicContact CG2-CD1 3.65Å; T2134-I2137 HydrophobicContact CG2-CG1 4.16Å; T2134-I2137 WeakPolarHBondContact OG1-CD1 3.36Å; T2134-I2137 WeakPolarHBondContact OG1-CG1 3.41Å
2135	P	28.6	Very low	27.6	Very low	73.6 Å²	73.6	108.3 Å²	108.3	48%	0.478	54%	0.539	S	S	.	.	S	Bend		0	0	0	31.7	-30.1	0	0	0	117.8	E2105 I2137	E2105-P2135 WeakPolarHBondContact OE2-CD 3.37Å; P2135-I2137 HydrophobicContact CG-CD1 4.38Å; P2135-I2137 HydrophobicContact CG-CG1 3.87Å; P2135-I2137 PolarHBondContact O-N 2.8Å
2136	Y	27.4	Very low	27.3	Very low	190.4 Å²	190.4	110.2 Å²	110.2	75%	0.747	54%	0.542	S	S	*	.				0	0	0	-82.9	-91.4	0	0	0	118.6	T2134 R2138 Q2173	T2134-Y2136 VanDerWaalsContact C-N 3.25Å; T2134-Y2136 PolarHBondContact O-N 2.82Å; Y2136-R2138 PolarHBondContact O-N 2.81Å; Y2136-Q2173 PolarHBondContact OH-NE2 2.92Å; Y2136-Q2173 PolarHBondContact OH-OE1 2.94Å
2137	I	27.5	Very low	26.8	Very low	107.2 Å²	107.2	112.2 Å²	112.2	55%	0.55	55%	0.554	S	S	.	*				0	0	0	-51.7	171.2	0	0	0	115.4	W2106 K2107 L2132 T2134 P2135 L2139	W2106-I2137 HydrophobicContact CB-CG1 4.34Å; W2106-I2137 HydrophobicContact CG-CG1 4.38Å; K2107-I2137 HydrophobicContact CD-CD1 3.76Å; K2107-I2137 HydrophobicContact CD-CG1 4.42Å; K2107-I2137 HydrophobicContact CG-CD1 4.17Å; L2132-I2137 HydrophobicContact CB-CD1 3.92Å; L2132-I2137 HydrophobicContact CD1-CD1 3.74Å; L2132-I2137 HydrophobicContact CD2-CD1 3.6Å; L2132-I2137 HydrophobicContact CG-CD1 3.93Å; T2134-I2137 HydrophobicContact CG2-CD1 3.65Å; T2134-I2137 HydrophobicContact CG2-CG1 4.16Å; T2134-I2137 WeakPolarHBondContact OG1-CD1 3.36Å; T2134-I2137 WeakPolarHBondContact OG1-CG1 3.41Å; P2135-I2137 HydrophobicContact CG-CD1 4.38Å; P2135-I2137 HydrophobicContact CG-CG1 3.87Å; P2135-I2137 PolarHBondContact O-N 2.8Å; I2137-L2139 HydrophobicContact CB-CG 4.46Å; I2137-L2139 HydrophobicContact CG2-CB 4.27Å; I2137-L2139 HydrophobicContact CG2-CD1 4.14Å; I2137-L2139 HydrophobicContact CG2-CD2 4.24Å; I2137-L2139 HydrophobicContact CG2-CG 3.68Å; I2137-L2139 VanDerWaalsContact CG2-N 3.31Å; I2137-L2139 PolarHBondContact O-N 2.95Å
2138	R	23.5	Very low	26.4	Very low	239 Å²	239	115.6 Å²	115.6	90%	0.902	56%	0.563	S	S	*	*				0	0	0	-86.7	-178.4	178.7	162.5	0.6	114.9	Y2136 S2140	Y2136-R2138 PolarHBondContact O-N 2.81Å; R2138-S2140 PolarHBondContact O-N 2.81Å; R2138-S2140 VanDerWaalsContact O-N 3.13Å
2139	L	26.9	Very low	25.9	Very low	100.8 Å²	100.8	117.9 Å²	117.9	53%	0.528	58%	0.575	S	S	.	*				0	0	0	-87.4	164	0	0	0	115.2	E1687 F2109 L2132 I2137 Y2141 I2142 Y2165	E1687-L2139 VanDerWaalsContact CD-C 3.5Å; E1687-L2139 WeakPolarHBondContact OE2-CB 2.99Å; F2109-L2139 HydrophobicContact CD1-CD2 3.66Å; F2109-L2139 HydrophobicContact CE1-CD2 4.38Å; L2132-L2139 HydrophobicContact CD1-CD1 3.69Å; L2132-L2139 HydrophobicContact CD1-CD2 4.35Å; L2132-L2139 HydrophobicContact CD1-CG 4.16Å; I2137-L2139 HydrophobicContact CB-CG 4.46Å; I2137-L2139 HydrophobicContact CG2-CB 4.27Å; I2137-L2139 HydrophobicContact CG2-CD1 4.14Å; I2137-L2139 HydrophobicContact CG2-CD2 4.24Å; I2137-L2139 HydrophobicContact CG2-CG 3.68Å; I2137-L2139 VanDerWaalsContact CG2-N 3.31Å; I2137-L2139 PolarHBondContact O-N 2.95Å; L2139-Y2141 PolarHBondContact O-N 3.15Å; L2139-Y2141 VanDerWaalsContact O-N 3.16Å; L2139-I2142 HydrophobicContact CB-CB 4.48Å; L2139-I2142 HydrophobicContact CB-CD1 4.07Å; L2139-I2142 HydrophobicContact CB-CG1 4.1Å; L2139-I2142 HydrophobicContact CD1-CD1 4.14Å; L2139-I2142 HydrophobicContact CD2-CG1 4.46Å; L2139-I2142 HydrophobicContact CG-CD1 4.41Å; L2139-I2142 PolarHBondContact O-N 2.65Å; L2139-I2142 VanDerWaalsContact O-N 3.1Å; L2139-Y2165 HydrophobicContact CD1-CE2 4.05Å
2140	S	22.3	Very low	25.6	Very low	75.4 Å²	75.4	118.2 Å²	118.2	53%	0.527	58%	0.576	S	S	.	*				0	0	0	15.6	0	0	0	0	115.5	E1687 L2067 R2138	E1687-S2140 VanDerWaalsContact CD-CA 3.5Å; E1687-S2140 WeakPolarHBondContact OE1-CA 3.23Å; E1687-S2140 PolarHBondContact OE1-N 3.26Å; E1687-S2140 PolarHBondContact OE2-N 2.71Å; E1687-S2140 VanDerWaalsContact OE2-N 3.08Å; L2067-S2140 WeakPolarHBondContact CD2-O 3.49Å; R2138-S2140 PolarHBondContact O-N 2.81Å; R2138-S2140 VanDerWaalsContact O-N 3.13Å
2141	Y	23.8	Very low	25.1	Very low	175 Å²	175	120.6 Å²	120.6	69%	0.686	59%	0.585	S	S	*	*				0	0	0	-52.4	-70	0	0	0	120.5	Q1645 L2067 L2139 T2143 E2178	Q1645-Y2141 PolarHBondContact NE2-O 3.05Å; Q1645-Y2141 PolarHBondContact OE1-O 3.01Å; L2067-Y2141 HydrophobicContact CD1-CD2 4.02Å; L2067-Y2141 HydrophobicContact CD1-CG 4.37Å; L2139-Y2141 PolarHBondContact O-N 3.15Å; L2139-Y2141 VanDerWaalsContact O-N 3.16Å; Y2141-T2143 PolarHBondContact O-N 3.01Å; Y2141-E2178 VanDerWaalsContact CE1-OE2 3.3Å; Y2141-E2178 WeakPolarHBondContact CE1-OE2 3.25Å
2142	I	24.5	Very low	24.9	Very low	95.6 Å²	95.6	118.5 Å²	118.5	49%	0.49	58%	0.583	S	S	.	*				0	0	0	-67.5	172	0	0	0	116.1	P1617 G1618 S1619 Q1645 I2130 L2139 M2144	P1617-I2142 VanDerWaalsContact C-CG2 3.41Å; P1617-I2142 HydrophobicContact CB-CG2 3.65Å; P1617-I2142 HydrophobicContact CG-CG2 3.64Å; P1617-I2142 WeakPolarHBondContact O-CG2 3.16Å; G1618-I2142 VanDerWaalsContact C-C 3.46Å; S1619-I2142 VanDerWaalsContact N-C 3.33Å; Q1645-I2142 VanDerWaalsContact OE1-N 3.1Å; I2130-I2142 HydrophobicContact CD1-CD1 4.08Å; L2139-I2142 HydrophobicContact CB-CB 4.48Å; L2139-I2142 HydrophobicContact CB-CD1 4.07Å; L2139-I2142 HydrophobicContact CB-CG1 4.1Å; L2139-I2142 HydrophobicContact CD1-CD1 4.14Å; L2139-I2142 HydrophobicContact CD2-CG1 4.46Å; L2139-I2142 HydrophobicContact CG-CD1 4.41Å; L2139-I2142 PolarHBondContact O-N 2.65Å; L2139-I2142 VanDerWaalsContact O-N 3.1Å; I2142-M2144 HydrophobicContact CG2-CB 4.37Å; I2142-M2144 HydrophobicContact CG2-CG 3.78Å; I2142-M2144 PolarHBondContact O-N 3.25Å
2143	T	22.1	Very low	24.6	Very low	91.4 Å²	91.4	118.8 Å²	118.8	56%	0.561	59%	0.585	S	S	*	*				0	0	0	64.7	0	0	0	0	119.8	E1608 P1617 G1618 P1620 M2111 Y2141 K2145	E1608-T2143 HydrophobicContact CB-CG2 4.38Å; E1608-T2143 WeakPolarHBondContact CB-O 3.23Å; E1608-T2143 HydrophobicContact CG-CG2 4.03Å; E1608-T2143 WeakPolarHBondContact OE1-CG2 3.4Å; E1608-T2143 PolarHBondContact OE1-OG1 2.95Å; E1608-T2143 VanDerWaalsContact OE1-OG1 3.14Å; E1608-T2143 PolarHBondContact OE2-OG1 3.06Å; P1617-T2143 VanDerWaalsContact CB-CA 3.41Å; G1618-T2143 WeakPolarHBondContact O-CA 3.48Å; G1618-T2143 PolarHBondContact O-N 2.82Å; P1620-T2143 HydrophobicContact CB-CG2 3.9Å; P1620-T2143 HydrophobicContact CG-CG2 4.22Å; M2111-T2143 PolarHBondContact O-N 3.42Å; M2111-T2143 PolarHBondContact O-OG1 3.11Å; Y2141-T2143 PolarHBondContact O-N 3.01Å; T2143-K2145 PolarHBondContact O-N 3.14Å
2144	M	23.3	Very low	24.2	Very low	97.6 Å²	97.6	118.3 Å²	118.3	48%	0.481	59%	0.587	S	S	.	*				0	0	0	-60.3	-95.6	-43.2	0	0	117.8	M1571 Y1587 L1588 N1589 E1608 G1618 L2113 I2142 E2146 L2149	M1571-M2144 HydrophobicContact SD-CB 4.27Å; Y1587-M2144 HydrophobicContact CD1-CB 3.94Å; Y1587-M2144 HydrophobicContact CD1-CE 3.15Å; Y1587-M2144 HydrophobicContact CD1-CG 3.94Å; Y1587-M2144 HydrophobicContact CD1-SD 3.54Å; Y1587-M2144 VanDerWaalsContact CD1-SD 3.54Å; Y1587-M2144 HydrophobicContact CD2-CE 3.85Å; Y1587-M2144 HydrophobicContact CD2-CG 4.14Å; Y1587-M2144 HydrophobicContact CD2-SD 3.32Å; Y1587-M2144 WeakPolarHBondContact CD2-SD 3.33Å; Y1587-M2144 HydrophobicContact CE1-CB 3.17Å; Y1587-M2144 HydrophobicContact CE1-CE 3.7Å; Y1587-M2144 HydrophobicContact CE1-CG 3.33Å; Y1587-M2144 HydrophobicContact CE1-SD 3.6Å; Y1587-M2144 VanDerWaalsContact CE1-SD 3.6Å; Y1587-M2144 HydrophobicContact CE2-CB 4.38Å; Y1587-M2144 HydrophobicContact CE2-CE 4.35Å; Y1587-M2144 HydrophobicContact CE2-CG 3.61Å; Y1587-M2144 HydrophobicContact CE2-SD 3.42Å; Y1587-M2144 WeakPolarHBondContact CE2-SD 3.5Å; Y1587-M2144 HydrophobicContact CG-CE 3.25Å; Y1587-M2144 HydrophobicContact CG-CG 4.35Å; Y1587-M2144 HydrophobicContact CG-SD 3.43Å; Y1587-M2144 VanDerWaalsContact CZ-CB 3.45Å; Y1587-M2144 VanDerWaalsContact CZ-SD 3.54Å; Y1587-M2144 WeakPolarHBondContact OH-CB 3.41Å; Y1587-M2144 WeakPolarHBondContact OH-CG 2.83Å; L1588-M2144 WeakPolarHBondContact O-CE 3.3Å; N1589-M2144 PolarHBondContact ND2-O 2.8Å; E1608-M2144 PolarHBondContact OE2-N 3.36Å; G1618-M2144 PolarHBondContact N-SD 2.84Å; L2113-M2144 HydrophobicContact CB-SD 3.82Å; L2113-M2144 HydrophobicContact CD2-CE 4.19Å; L2113-M2144 HydrophobicContact CD2-SD 3.81Å; L2113-M2144 HydrophobicContact CG-SD 4.46Å; I2142-M2144 HydrophobicContact CG2-CB 4.37Å; I2142-M2144 HydrophobicContact CG2-CG 3.78Å; I2142-M2144 PolarHBondContact O-N 3.25Å; M2144-E2146 PolarHBondContact O-N 3.32Å; M2144-L2149 HydrophobicContact CE-CD1 4.34Å
2145	K	21.5	Very low	24	Very low	142.6 Å²	142.6	120.6 Å²	120.6	62%	0.62	60%	0.596	S	S	*	*				0	0	0	-86.4	168.5	163	165.7	0	117.1	H1554 N1570 M1571 Y1587 L1588 N1589 T2143 N2147 L2182	H1554-K2145 VanDerWaalsContact CB-C 3.48Å; H1554-K2145 PolarHBondContact ND1-O 2.66Å; H1554-K2145 CarbonylContact O-C 3.41Å; H1554-K2145 WeakPolarHBondContact O-CB 3.34Å; N1570-K2145 PolarHBondContact O-NZ 3.1Å; M1571-K2145 HydrophobicContact CB-CB 3.33Å; M1571-K2145 HydrophobicContact CB-CD 3.4Å; M1571-K2145 VanDerWaalsContact CB-CD 3.4Å; M1571-K2145 HydrophobicContact CB-CG 3.48Å; M1571-K2145 VanDerWaalsContact CB-CG 3.48Å; M1571-K2145 HydrophobicContact CG-CB 4.38Å; M1571-K2145 HydrophobicContact CG-CD 3.99Å; M1571-K2145 VanDerWaalsContact CG-CE 3.45Å; M1571-K2145 HydrophobicContact CG-CG 4.5Å; M1571-K2145 HydrophobicContact SD-CB 4.2Å; M1571-K2145 HydrophobicContact SD-CD 3.86Å; M1571-K2145 HydrophobicContact SD-CG 4.42Å; M1571-K2145 PolarHBondContact SD-N 2.83Å; M1571-K2145 VanDerWaalsContact SD-N 3.38Å; Y1587-K2145 HydrophobicContact CE1-CD 4.4Å; Y1587-K2145 VanDerWaalsContact CE1-CE 3.43Å; L1588-K2145 WeakPolarHBondContact O-CE 3.21Å; L1588-K2145 PolarHBondContact O-NZ 2.74Å; N1589-K2145 HydrophobicContact CB-CD 3.81Å; N1589-K2145 HydrophobicContact CB-CG 4.49Å; N1589-K2145 VanDerWaalsContact CG-CD 3.47Å; N1589-K2145 WeakPolarHBondContact OD1-CD 3.05Å; N1589-K2145 WeakPolarHBondContact OD1-CG 3.13Å; T2143-K2145 PolarHBondContact O-N 3.14Å; K2145-N2147 PolarHBondContact O-N 2.78Å; K2145-L2182 HydrophobicContact CG-CD1 4.24Å
2146	E	22.5	Very low	23.8	Very low	118.2 Å²	118.2	123.2 Å²	123.2	55%	0.552	61%	0.606	S	S	*	*				0	0	0	-71.1	177.4	148.5	0	0	118.6	F1538 F1539 I1540 I1541 Y1553 H1554 F1555 M2144	F1538-E2146 WeakPolarHBondContact O-CG 2.86Å; F1539-E2146 VanDerWaalsContact C-CB 3.48Å; F1539-E2146 HydrophobicContact CB-CG 3.95Å; F1539-E2146 VanDerWaalsContact CB-OE1 3.26Å; F1539-E2146 WeakPolarHBondContact CB-OE1 2.89Å; F1539-E2146 CarbonylContact O-C 3.54Å; F1539-E2146 WeakPolarHBondContact O-CA 3.16Å; F1539-E2146 WeakPolarHBondContact O-CB 3.2Å; F1539-E2146 WeakPolarHBondContact O-CG 3.23Å; I1540-E2146 VanDerWaalsContact C-CD 3.48Å; I1540-E2146 VanDerWaalsContact CA-CB 3.42Å; I1540-E2146 VanDerWaalsContact CA-CG 3.44Å; I1540-E2146 WeakPolarHBondContact CA-OE2 3.22Å; I1540-E2146 HydrophobicContact CB-CB 3.91Å; I1540-E2146 HydrophobicContact CB-CG 4.48Å; I1540-E2146 HydrophobicContact CG1-CB 3.47Å; I1540-E2146 VanDerWaalsContact CG1-CB 3.47Å; I1540-E2146 VanDerWaalsContact N-CD 3.27Å; I1540-E2146 PolarHBondContact N-OE2 2.8Å; I1541-E2146 PolarHBondContact N-OE2 3.04Å; Y1553-E2146 WeakPolarHBondContact CD1-OE1 3.5Å; Y1553-E2146 WeakPolarHBondContact CD1-OE2 3.11Å; Y1553-E2146 WeakPolarHBondContact CE1-OE1 2.78Å; H1554-E2146 VanDerWaalsContact C-CB 3.5Å; H1554-E2146 WeakPolarHBondContact CA-OE2 3.07Å; H1554-E2146 HydrophobicContact CB-CB 3.61Å; H1554-E2146 HydrophobicContact CB-CG 4.11Å; H1554-E2146 PolarHBondContact N-OE2 2.87Å; H1554-E2146 PolarHBondContact ND1-N 2.74Å; H1554-E2146 VanDerWaalsContact ND1-N 3.17Å; H1554-E2146 PolarHBondContact O-N 3.1Å; F1555-E2146 VanDerWaalsContact CA-OE1 3.22Å; F1555-E2146 WeakPolarHBondContact CA-OE1 2.95Å; F1555-E2146 HydrophobicContact CB-CG 3.72Å; F1555-E2146 WeakPolarHBondContact CB-OE1 3.4Å; F1555-E2146 PolarHBondContact N-OE1 3.14Å; F1555-E2146 VanDerWaalsContact O-CA 3.24Å; F1555-E2146 WeakPolarHBondContact O-CA 3.16Å; F1555-E2146 WeakPolarHBondContact O-CG 3.33Å; F1555-E2146 PolarHBondContact O-N 3Å; M2144-E2146 PolarHBondContact O-N 3.32Å
2147	N	21.1	Very low	23.7	Very low	119 Å²	119	121.5 Å²	121.5	64%	0.636	61%	0.605	S	S	*	*				0	0	0	-85.1	-46.4	0	0	0	118	I1510 N1511 N1529 K1531 F1538 F1539 I1540 K2145	I1510-N2147 CarbonylContact C-O 3.19Å; I1510-N2147 CarbonylContact O-C 3.18Å; N1511-N2147 VanDerWaalsContact CA-O 3.26Å; N1511-N2147 WeakPolarHBondContact CA-O 2.94Å; N1529-N2147 VanDerWaalsContact CA-CA 3.45Å; N1529-N2147 HydrophobicContact CB-CB 4.43Å; N1529-N2147 VanDerWaalsContact ND2-C 3.28Å; N1529-N2147 WeakPolarHBondContact ND2-CA 3.24Å; N1529-N2147 PolarHBondContact ND2-N 3.15Å; N1529-N2147 PolarHBondContact ND2-O 2.76Å; N1529-N2147 VanDerWaalsContact ND2-O 3.07Å; N1529-N2147 PolarHBondContact OD1-O 2.75Å; K1531-N2147 HydrophobicContact CB-CB 3.52Å; K1531-N2147 WeakPolarHBondContact CB-OD1 3.32Å; K1531-N2147 HydrophobicContact CD-CB 4.5Å; K1531-N2147 WeakPolarHBondContact CD-OD1 3.47Å; K1531-N2147 WeakPolarHBondContact CE-OD1 3.37Å; K1531-N2147 HydrophobicContact CG-CB 3.97Å; K1531-N2147 VanDerWaalsContact N-C 3.26Å; K1531-N2147 PolarHBondContact NZ-O 2.75Å; K1531-N2147 PolarHBondContact NZ-OD1 2.9Å; F1538-N2147 HydrophobicContact CB-CB 3.17Å; F1538-N2147 WeakPolarHBondContact CB-ND2 3.12Å; F1538-N2147 WeakPolarHBondContact CD1-ND2 2.82Å; F1538-N2147 HydrophobicContact CG-CB 4.22Å; F1538-N2147 VanDerWaalsContact CG-ND2 3.34Å; F1538-N2147 WeakPolarHBondContact CG-ND2 2.96Å; F1539-N2147 WeakPolarHBondContact O-CA 3.29Å; F1539-N2147 WeakPolarHBondContact O-CB 3.24Å; F1539-N2147 PolarHBondContact O-N 2.88Å; I1540-N2147 VanDerWaalsContact CG1-N 3.27Å; K2145-N2147 PolarHBondContact O-N 2.78Å
2148	K	21.8	Very low	23.6	Very low	135 Å²	135	120.4 Å²	120.4	59%	0.587	60%	0.603	S	S	*	*				0	0	0	-86.2	-169.8	-175.7	176.2	0	120.5	I1483 I1500 Y1502 I1510 N1511 I1512 I1528 N1529 W1530 I2150	I1483-K2148 HydrophobicContact CD1-CD 4.45Å; I1500-K2148 HydrophobicContact CG2-CB 4.28Å; I1500-K2148 WeakPolarHBondContact CG2-O 3.34Å; Y1502-K2148 WeakPolarHBondContact CB-O 3.42Å; I1510-K2148 VanDerWaalsContact C-C 3.49Å; I1510-K2148 CarbonylContact C-O 3.45Å; I1510-K2148 VanDerWaalsContact CA-O 3.23Å; I1510-K2148 WeakPolarHBondContact CA-O 3.45Å; I1510-K2148 HydrophobicContact CB-CB 4.3Å; I1510-K2148 HydrophobicContact CB-CG 4.5Å; I1510-K2148 HydrophobicContact CG2-CB 3.98Å; I1510-K2148 HydrophobicContact CG2-CD 4.39Å; I1510-K2148 HydrophobicContact CG2-CG 3.71Å; I1510-K2148 PolarHBondContact O-N 3.07Å; N1511-K2148 VanDerWaalsContact C-C 3.49Å; N1511-K2148 VanDerWaalsContact C-N 3.32Å; N1511-K2148 CarbonylContact C-O 2.8Å; N1511-K2148 VanDerWaalsContact CA-CA 3.47Å; N1511-K2148 VanDerWaalsContact CA-O 3.29Å; N1511-K2148 WeakPolarHBondContact CA-O 3.49Å; N1511-K2148 PolarHBondContact N-O 2.75Å; I1512-K2148 HydrophobicContact CB-CB 3.65Å; I1512-K2148 HydrophobicContact CD1-CB 4.42Å; I1512-K2148 HydrophobicContact CD1-CD 3.85Å; I1512-K2148 HydrophobicContact CD1-CG 4.43Å; I1512-K2148 HydrophobicContact CG1-CB 3.26Å; I1512-K2148 HydrophobicContact CG1-CD 3.6Å; I1512-K2148 HydrophobicContact CG1-CG 3.74Å; I1512-K2148 VanDerWaalsContact N-CA 3.25Å; I1512-K2148 VanDerWaalsContact N-CB 3.33Å; I1528-K2148 WeakPolarHBondContact O-CB 3.45Å; I1528-K2148 WeakPolarHBondContact O-CG 3.26Å; N1529-K2148 PolarHBondContact OD1-N 2.95Å; N1529-K2148 VanDerWaalsContact OD1-N 3.1Å; W1530-K2148 HydrophobicContact CB-CB 3.87Å; W1530-K2148 HydrophobicContact CB-CG 3.37Å; W1530-K2148 HydrophobicContact CD2-CG 4.46Å; W1530-K2148 HydrophobicContact CE3-CD 4.14Å; W1530-K2148 HydrophobicContact CE3-CG 3.96Å; W1530-K2148 HydrophobicContact CG-CG 4.32Å; K2148-I2150 HydrophobicContact CB-CD1 4.05Å; K2148-I2150 HydrophobicContact CB-CG1 4.01Å; K2148-I2150 HydrophobicContact CD-CD1 4.01Å; K2148-I2150 HydrophobicContact CG-CD1 4.08Å; K2148-I2150 HydrophobicContact CG-CG1 4.46Å; K2148-I2150 PolarHBondContact O-N 2.85Å
2149	L	20.7	Very low	23.8	Very low	124.6 Å²	124.6	113.1 Å²	113.1	65%	0.652	59%	0.586	S	S	*	*				0	0	0	-90.4	173.2	0	0	0	119.5	L1474 G1481 I1483 I1500 Y1502 L1504 I1509 I1510 M2144 Q2151	L1474-L2149 HydrophobicContact CD2-CD2 3.43Å; L1474-L2149 VanDerWaalsContact CD2-CD2 3.43Å; L1474-L2149 HydrophobicContact CD2-CG 4.17Å; G1481-L2149 WeakPolarHBondContact O-CG 3.46Å; I1483-L2149 WeakPolarHBondContact CD1-O 3.47Å; I1483-L2149 VanDerWaalsContact CG1-O 3.23Å; I1483-L2149 WeakPolarHBondContact CG1-O 3.19Å; I1483-L2149 VanDerWaalsContact N-CB 3.26Å; I1500-L2149 VanDerWaalsContact CG2-CA 3.49Å; Y1502-L2149 HydrophobicContact CD1-CB 2.59Å; Y1502-L2149 HydrophobicContact CD1-CD1 2.29Å; Y1502-L2149 HydrophobicContact CD1-CD2 3.65Å; Y1502-L2149 HydrophobicContact CD1-CG 2.3Å; Y1502-L2149 HydrophobicContact CD2-CB 3.49Å; Y1502-L2149 VanDerWaalsContact CD2-CB 3.49Å; Y1502-L2149 HydrophobicContact CD2-CD1 2.3Å; Y1502-L2149 HydrophobicContact CD2-CD2 3.58Å; Y1502-L2149 HydrophobicContact CD2-CG 2.33Å; Y1502-L2149 HydrophobicContact CE1-CB 3.18Å; Y1502-L2149 HydrophobicContact CE1-CD1 2.3Å; Y1502-L2149 HydrophobicContact CE1-CD2 2.98Å; Y1502-L2149 HydrophobicContact CE1-CG 2.3Å; Y1502-L2149 HydrophobicContact CE2-CB 3.95Å; Y1502-L2149 HydrophobicContact CE2-CD1 2.3Å; Y1502-L2149 HydrophobicContact CE2-CD2 2.89Å; Y1502-L2149 HydrophobicContact CE2-CG 2.32Å; Y1502-L2149 HydrophobicContact CG-CB 2.78Å; Y1502-L2149 HydrophobicContact CG-CD1 2.31Å; Y1502-L2149 HydrophobicContact CG-CD2 3.91Å; Y1502-L2149 HydrophobicContact CG-CG 2.32Å; Y1502-L2149 WeakPolarHBondContact OH-CD1 3.11Å; Y1502-L2149 WeakPolarHBondContact OH-CD2 3.18Å; Y1502-L2149 WeakPolarHBondContact OH-CG 3.3Å; L1504-L2149 HydrophobicContact CD2-CD1 3.51Å; L1504-L2149 HydrophobicContact CG-CD1 3.57Å; I1509-L2149 WeakPolarHBondContact O-CD1 2.88Å; I1510-L2149 HydrophobicContact CG1-CD1 4.32Å; I1510-L2149 HydrophobicContact CG2-CD1 4.22Å; M2144-L2149 HydrophobicContact CE-CD1 4.34Å; L2149-Q2151 HydrophobicContact CD2-CB 4.04Å; L2149-Q2151 HydrophobicContact CD2-CG 3.81Å; L2149-Q2151 PolarHBondContact O-N 3.22Å
2150	I	22.9	Very low	23.9	Very low	112.2 Å²	112.2	113.9 Å²	113.9	58%	0.575	59%	0.59	S	S	*	*				0	0	0	-47.4	153.8	0	0	0	118.1	L1472 K1473 L1474 I1483 K2148 S2152 L2182	L1472-I2150 HydrophobicContact CB-CD1 4.07Å; L1472-I2150 HydrophobicContact CD1-CB 4.05Å; L1472-I2150 HydrophobicContact CD1-CD1 4.03Å; L1472-I2150 HydrophobicContact CD1-CG1 3.61Å; L1472-I2150 HydrophobicContact CD1-CG2 4.37Å; L1472-I2150 HydrophobicContact CD2-CD1 4.42Å; L1472-I2150 HydrophobicContact CG-CB 4.42Å; L1472-I2150 HydrophobicContact CG-CD1 3.48Å; L1472-I2150 VanDerWaalsContact CG-CD1 3.48Å; L1472-I2150 HydrophobicContact CG-CG1 3.68Å; K1473-I2150 VanDerWaalsContact C-CD1 3.5Å; K1473-I2150 CarbonylContact C-O 3.12Å; K1473-I2150 VanDerWaalsContact C-O 3.23Å; K1473-I2150 WeakPolarHBondContact O-CD1 3.24Å; L1474-I2150 VanDerWaalsContact CA-O 3.29Å; L1474-I2150 WeakPolarHBondContact CA-O 3.34Å; L1474-I2150 WeakPolarHBondContact CB-O 3.43Å; L1474-I2150 WeakPolarHBondContact CD1-O 3.08Å; L1474-I2150 WeakPolarHBondContact CG-O 3.02Å; L1474-I2150 PolarHBondContact N-O 3Å; I1483-I2150 HydrophobicContact CB-CB 4.23Å; I1483-I2150 HydrophobicContact CB-CD1 4.14Å; I1483-I2150 HydrophobicContact CB-CG1 3.62Å; I1483-I2150 VanDerWaalsContact CB-N 3.33Å; I1483-I2150 HydrophobicContact CD1-CG2 3.96Å; I1483-I2150 HydrophobicContact CG1-CB 3.51Å; I1483-I2150 HydrophobicContact CG1-CD1 4.32Å; I1483-I2150 HydrophobicContact CG1-CG1 3.26Å; I1483-I2150 HydrophobicContact CG1-CG2 3.35Å; I1483-I2150 HydrophobicContact CG2-CD1 4.22Å; I1483-I2150 HydrophobicContact CG2-CG1 3.83Å; I1483-I2150 VanDerWaalsContact N-N 3.17Å; K2148-I2150 HydrophobicContact CB-CD1 4.05Å; K2148-I2150 HydrophobicContact CB-CG1 4.01Å; K2148-I2150 HydrophobicContact CD-CD1 4.01Å; K2148-I2150 HydrophobicContact CG-CD1 4.08Å; K2148-I2150 HydrophobicContact CG-CG1 4.46Å; K2148-I2150 PolarHBondContact O-N 2.85Å; I2150-S2152 PolarHBondContact O-N 2.8Å; I2150-L2182 HydrophobicContact CG2-CD1 4.28Å
2151	Q	22.5	Very low	24.5	Very low	134.8 Å²	134.8	113.5 Å²	113.5	63%	0.63	58%	0.582	S	S	*	*				0	0	0	-105.5	-174.4	-24.5	0	0	116.1	F1457 L1458 L1459 L1472 L1474 L1476 L2149 I2153	F1457-Q2151 HydrophobicContact CB-CG 4.42Å; L1458-Q2151 VanDerWaalsContact N-CD 3.31Å; L1458-Q2151 VanDerWaalsContact N-CG 3.25Å; L1458-Q2151 WeakPolarHBondContact O-CG 3.2Å; L1458-Q2151 PolarHBondContact O-NE2 3.14Å; L1459-Q2151 VanDerWaalsContact CB-C 3.49Å; L1459-Q2151 WeakPolarHBondContact CB-O 3.14Å; L1459-Q2151 WeakPolarHBondContact CD1-O 2.92Å; L1472-Q2151 WeakPolarHBondContact CD2-O 3.18Å; L1474-Q2151 HydrophobicContact CD1-CB 3.78Å; L1474-Q2151 HydrophobicContact CD1-CG 3.37Å; L1476-Q2151 HydrophobicContact CD1-CG 3.96Å; L2149-Q2151 HydrophobicContact CD2-CB 4.04Å; L2149-Q2151 HydrophobicContact CD2-CG 3.81Å; L2149-Q2151 PolarHBondContact O-N 3.22Å; Q2151-I2153 VanDerWaalsContact C-N 3.27Å; Q2151-I2153 PolarHBondContact O-N 2.81Å
2152	S	25	Very low	24.9	Very low	75.2 Å²	75.2	110.1 Å²	110.1	53%	0.526	58%	0.575	S	S	.	*				0	0	0	50.6	0	0	0	0	118	L1458 I2150 T2154	L1458-S2152 WeakPolarHBondContact O-CA 3.37Å; L1458-S2152 WeakPolarHBondContact O-CB 3.24Å; L1458-S2152 PolarHBondContact O-N 3.39Å; I2150-S2152 PolarHBondContact O-N 2.8Å; S2152-T2154 PolarHBondContact O-N 3.05Å; S2152-T2154 PolarHBondContact O-OG1 3.48Å
2153	I	25.5	Very low	25.4	Very low	102.6 Å²	102.6	108.9 Å²	108.9	53%	0.526	57%	0.569	S	S	.	*				0	0	0	-61.4	167.1	0	0	0	116.9	Q2151 N2155 T2158 N2176 I2177 E2178 K2200	Q2151-I2153 VanDerWaalsContact C-N 3.27Å; Q2151-I2153 PolarHBondContact O-N 2.81Å; I2153-N2155 HydrophobicContact CG2-CB 4.44Å; I2153-N2155 WeakPolarHBondContact CG2-O 3.43Å; I2153-N2155 PolarHBondContact O-N 2.78Å; I2153-T2158 HydrophobicContact CB-CG2 4.05Å; I2153-T2158 HydrophobicContact CD1-CG2 3.53Å; I2153-T2158 HydrophobicContact CG1-CG2 4.37Å; I2153-T2158 HydrophobicContact CG2-CG2 3.62Å; I2153-N2176 HydrophobicContact CD1-CB 3.77Å; I2153-I2177 WeakPolarHBondContact CG2-O 3.08Å; I2153-E2178 VanDerWaalsContact CG2-CA 3.44Å; I2153-E2178 HydrophobicContact CG2-CB 3.98Å; I2153-E2178 HydrophobicContact CG2-CG 4.14Å; I2153-K2200 HydrophobicContact CD1-CB 3.56Å
2154	T	24.9	Very low	25.9	Very low	97.6 Å²	97.6	109.8 Å²	109.8	60%	0.599	57%	0.567	S	S	*	*				0	0	0	50.6	0	0	0	0	116	S2152 E2178 L2179	S2152-T2154 PolarHBondContact O-N 3.05Å; S2152-T2154 PolarHBondContact O-OG1 3.48Å; T2154-E2178 WeakPolarHBondContact CB-OE1 3.44Å; T2154-E2178 PolarHBondContact N-OE1 3.04Å; T2154-E2178 CarbonylContact O-C 3.4Å; T2154-E2178 VanDerWaalsContact OG1-CG 3.26Å; T2154-E2178 WeakPolarHBondContact OG1-CG 3.31Å; T2154-E2178 PolarHBondContact OG1-OE1 2.86Å; T2154-L2179 CarbonylContact C-O 3.01Å; T2154-L2179 PolarHBondContact O-N 2.96Å
2155	N	26.1	Very low	26.6	Very low	123.8 Å²	123.8	109.7 Å²	109.7	66%	0.662	56%	0.562	S	S	*	*				0	0	0	-85.7	-27.1	0	0	0	116.9	I2153 Q2157 L2179 T2180 L2181	I2153-N2155 HydrophobicContact CG2-CB 4.44Å; I2153-N2155 WeakPolarHBondContact CG2-O 3.43Å; I2153-N2155 PolarHBondContact O-N 2.78Å; N2155-Q2157 PolarHBondContact O-N 3.01Å; N2155-L2179 PolarHBondContact N-O 3Å; N2155-T2180 CarbonylContact O-C 3.11Å; N2155-T2180 WeakPolarHBondContact O-CA 3.38Å; N2155-T2180 WeakPolarHBondContact O-CB 3.29Å; N2155-T2180 WeakPolarHBondContact O-CG2 3.12Å; N2155-L2181 CarbonylContact C-O 3.56Å; N2155-L2181 WeakPolarHBondContact CA-O 3Å
2156	N	23.8	Very low	27.2	Very low	130 Å²	130	107.1 Å²	107.1	70%	0.695	56%	0.555	S	S	*	*				0	0	0	-67.2	-22.7	0	0	0	116.2	T2180 L2181 L2182 Q2183	N2156-T2180 VanDerWaalsContact CA-C 3.4Å; N2156-T2180 WeakPolarHBondContact CA-O 3.02Å; N2156-L2181 VanDerWaalsContact C-C 3.44Å; N2156-L2181 VanDerWaalsContact C-CA 3.42Å; N2156-L2181 VanDerWaalsContact CA-N 3.33Å; N2156-L2181 PolarHBondContact N-O 2.83Å; N2156-L2182 VanDerWaalsContact CA-N 3.32Å; N2156-L2182 HydrophobicContact CB-CB 4.42Å; N2156-L2182 CarbonylContact O-C 3.45Å; N2156-L2182 WeakPolarHBondContact O-CA 3.14Å; N2156-L2182 WeakPolarHBondContact O-CB 2.86Å; N2156-L2182 PolarHBondContact O-N 3.19Å; N2156-L2182 WeakPolarHBondContact OD1-CB 3.12Å; N2156-L2182 WeakPolarHBondContact OD1-CD1 3.28Å; N2156-Q2183 PolarHBondContact O-N 3.24Å
2157	Q	25.1	Very low	27.9	Very low	154.8 Å²	154.8	105.3 Å²	105.3	72%	0.723	55%	0.546	S	S	*	.				0	0	0	-87.9	173.4	-22.4	0	0	117.2	I2123 N2155 T2159 L2181 Q2183 L2189	I2123-Q2157 HydrophobicContact CD1-CB 4.46Å; I2123-Q2157 HydrophobicContact CG1-CB 4.44Å; I2123-Q2157 WeakPolarHBondContact CG2-O 3.29Å; N2155-Q2157 PolarHBondContact O-N 3.01Å; Q2157-T2159 PolarHBondContact O-N 3.29Å; Q2157-L2181 VanDerWaalsContact N-CD2 3.34Å; Q2157-Q2183 CarbonylContact C-O 2.98Å; Q2157-Q2183 WeakPolarHBondContact CA-O 3.44Å; Q2157-L2189 WeakPolarHBondContact O-CD1 3.25Å
2158	T	26.3	Very low	28.4	Very low	83.4 Å²	83.4	105.1 Å²	105.1	51%	0.512	54%	0.544	S	S	.	.				0	129.9	0	50.3	0	0	0	0	115.9	I2153 N2160 D2161 N2185 N2186	I2153-T2158 HydrophobicContact CB-CG2 4.05Å; I2153-T2158 HydrophobicContact CD1-CG2 3.53Å; I2153-T2158 HydrophobicContact CG1-CG2 4.37Å; I2153-T2158 HydrophobicContact CG2-CG2 3.62Å; T2158-N2160 PolarHBondContact O-N 3.49Å; T2158-D2161 VanDerWaalsContact C-CG 3.46Å; T2158-D2161 WeakPolarHBondContact CA-OD2 3.3Å; T2158-D2161 PolarHBondContact N-OD2 3.47Å; T2158-D2161 VanDerWaalsContact O-OD2 3.07Å; T2158-N2185 HydrophobicContact CG2-CB 3.63Å; T2158-N2186 PolarHBondContact O-ND2 2.94Å; T2158-N2186 PolarHBondContact O-OD1 3.27Å
2159	T	27.3	Very low	29	Very low	86 Å²	86	106 Å²	106	53%	0.528	55%	0.548	S	S	.	.			trans	-117.4	78.4	168.3	33.1	0	0	0	0	114.4	I2123 Q2157 D2161 N2186 N2187	I2123-T2159 HydrophobicContact CD1-CG2 3.86Å; Q2157-T2159 PolarHBondContact O-N 3.29Å; T2159-D2161 PolarHBondContact N-OD2 3.39Å; T2159-D2161 PolarHBondContact O-N 2.89Å; T2159-N2186 WeakPolarHBondContact CG2-ND2 2.99Å; T2159-N2186 PolarHBondContact OG1-ND2 3.38Å; T2159-N2187 PolarHBondContact OG1-OD1 2.81Å; T2159-N2187 VanDerWaalsContact OG1-OD1 3.05Å
2160	N	29.2	Very low	29.5	Very low	116.6 Å²	116.6	105.9 Å²	105.9	62%	0.624	55%	0.548	S	S	*	.			trans	-130.5	112.2	169.8	-70.7	-15.8	0	0	0	112.9	T2158 L2162 N2188	T2158-N2160 PolarHBondContact O-N 3.49Å; N2160-L2162 VanDerWaalsContact C-N 3.28Å; N2160-L2162 PolarHBondContact O-N 3.06Å; N2160-N2188 PolarHBondContact N-O 2.93Å; N2160-N2188 VanDerWaalsContact N-O 3.11Å; N2160-N2188 VanDerWaalsContact OD1-CB 3.22Å; N2160-N2188 WeakPolarHBondContact OD1-CB 3.2Å; N2160-N2188 PolarHBondContact OD1-ND2 3.42Å
2161	D	34.4	Very low	29.9	Very low	66.8 Å²	66.8	105.6 Å²	105.6	36%	0.357	55%	0.548	S	S	.	.			trans	-95.8	103.1	179	-70.9	-40	0	0	0	111.6	T2158 T2159 I2163 Q2183 N2187 N2188 L2189 S2190	T2158-D2161 VanDerWaalsContact C-CG 3.46Å; T2158-D2161 WeakPolarHBondContact CA-OD2 3.3Å; T2158-D2161 PolarHBondContact N-OD2 3.47Å; T2158-D2161 VanDerWaalsContact O-OD2 3.07Å; T2159-D2161 PolarHBondContact N-OD2 3.39Å; T2159-D2161 PolarHBondContact O-N 2.89Å; D2161-I2163 VanDerWaalsContact C-N 3.29Å; D2161-I2163 PolarHBondContact O-N 2.92Å; D2161-Q2183 PolarHBondContact OD2-NE2 2.82Å; D2161-N2187 PolarHBondContact OD2-ND2 3.18Å; D2161-N2187 VanDerWaalsContact OD2-ND2 3.13Å; D2161-N2188 VanDerWaalsContact CG-O 3.28Å; D2161-N2188 PolarHBondContact N-O 3.1Å; D2161-L2189 HydrophobicContact CB-CD1 4.11Å; D2161-L2189 HydrophobicContact CB-CD2 4.12Å; D2161-L2189 HydrophobicContact CB-CG 4.35Å; D2161-L2189 WeakPolarHBondContact O-CD2 2.99Å; D2161-S2190 CarbonylContact C-O 3.48Å; D2161-S2190 WeakPolarHBondContact O-CB 3.21Å; D2161-S2190 PolarHBondContact O-N 3.14Å; D2161-S2190 VanDerWaalsContact O-O 3.11Å; D2161-S2190 PolarHBondContact O-OG 2.77Å; D2161-S2190 VanDerWaalsContact O-OG 3.05Å
2162	L	32.8	Very low	30.4	Very low	103.6 Å²	103.6	106 Å²	106	54%	0.542	55%	0.554	S	S	.	*			trans	-101.5	109.9	174.8	-146.9	130.6	0	0	0	112.5	N2160 E2164 S2190 L2192	N2160-L2162 VanDerWaalsContact C-N 3.28Å; N2160-L2162 PolarHBondContact O-N 3.06Å; L2162-E2164 HydrophobicContact CD2-CG 3.75Å; L2162-E2164 WeakPolarHBondContact CD2-OE1 3.37Å; L2162-E2164 HydrophobicContact CG-CG 4.14Å; L2162-E2164 PolarHBondContact O-N 3.26Å; L2162-S2190 CarbonylContact C-O 3.59Å; L2162-S2190 WeakPolarHBondContact CA-O 3.46Å; L2162-L2192 HydrophobicContact CD1-CD1 3.52Å; L2162-L2192 HydrophobicContact CD2-CB 3.99Å; L2162-L2192 HydrophobicContact CD2-CD1 4.22Å; L2162-L2192 HydrophobicContact CG-CD1 3.73Å
2163	I	35.7	Very low	31	Very low	70.4 Å²	70.4	108.9 Å²	108.9	36%	0.361	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.8	103.4	160.9	-58.4	176.1	0	0	0	109	D2161 Y2165 L2179 T2180 L2181 L2189 S2190 I2191 L2192	D2161-I2163 VanDerWaalsContact C-N 3.29Å; D2161-I2163 PolarHBondContact O-N 2.92Å; I2163-Y2165 HydrophobicContact CG2-CD2 3.87Å; I2163-Y2165 HydrophobicContact CG2-CE2 3.49Å; I2163-Y2165 VanDerWaalsContact CG2-CE2 3.49Å; I2163-Y2165 PolarHBondContact O-N 3.22Å; I2163-L2179 HydrophobicContact CD1-CD2 4.5Å; I2163-L2179 HydrophobicContact CG2-CD2 4.32Å; I2163-T2180 WeakPolarHBondContact CD1-O 3.07Å; I2163-L2181 HydrophobicContact CD1-CD2 3.56Å; I2163-L2181 HydrophobicContact CD1-CG 3.88Å; I2163-L2189 HydrophobicContact CD1-CD1 4.11Å; I2163-S2190 PolarHBondContact N-O 3.41Å; I2163-S2190 VanDerWaalsContact N-O 3.07Å; I2163-I2191 HydrophobicContact CB-CG1 4.5Å; I2163-I2191 HydrophobicContact CB-CG2 4.36Å; I2163-I2191 WeakPolarHBondContact O-CA 3.17Å; I2163-I2191 WeakPolarHBondContact O-CG2 3.38Å; I2163-L2192 PolarHBondContact O-N 2.98Å; I2163-L2192 VanDerWaalsContact O-N 3.16Å
2164	E	31.5	Very low	31.6	Very low	110 Å²	110	107.2 Å²	107.2	51%	0.514	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.1	122.6	158.6	-84.1	-171.4	177.1	0	0	111.5	L2162 N2166 L2192	L2162-E2164 HydrophobicContact CD2-CG 3.75Å; L2162-E2164 WeakPolarHBondContact CD2-OE1 3.37Å; L2162-E2164 HydrophobicContact CG-CG 4.14Å; L2162-E2164 PolarHBondContact O-N 3.26Å; E2164-N2166 PolarHBondContact O-N 3.35Å; E2164-N2166 PolarHBondContact OE2-ND2 3.45Å; E2164-L2192 CarbonylContact C-O 3.24Å; E2164-L2192 WeakPolarHBondContact CA-O 3.38Å; E2164-L2192 HydrophobicContact CG-CB 4.1Å; E2164-L2192 HydrophobicContact CG-CD1 4.18Å; E2164-L2192 HydrophobicContact CG-CG 4.46Å
2165	Y	37.7	Very low	32.2	Very low	97.4 Å²	97.4	105.2 Å²	105.2	38%	0.382	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.2	157	-130.2	-87.2	0	0	0	111.2	L2139 I2163 H2167 I2177 L2179 I2191 L2192 I2193 N2194	L2139-Y2165 HydrophobicContact CD1-CE2 4.05Å; I2163-Y2165 HydrophobicContact CG2-CD2 3.87Å; I2163-Y2165 HydrophobicContact CG2-CE2 3.49Å; I2163-Y2165 VanDerWaalsContact CG2-CE2 3.49Å; I2163-Y2165 PolarHBondContact O-N 3.22Å; Y2165-H2167 HydrophobicContact CE1-CB 4.16Å; Y2165-H2167 PolarHBondContact O-N 3.46Å; Y2165-I2177 HydrophobicContact CD1-CD1 4.07Å; Y2165-I2177 HydrophobicContact CD1-CG2 4.19Å; Y2165-I2177 HydrophobicContact CE1-CD1 3.79Å; Y2165-I2177 HydrophobicContact CE1-CG1 3.9Å; Y2165-I2177 HydrophobicContact CE1-CG2 3.76Å; Y2165-I2177 HydrophobicContact CE2-CG2 4.34Å; Y2165-L2179 HydrophobicContact CD1-CD1 4.08Å; Y2165-L2179 HydrophobicContact CD2-CD1 3.18Å; Y2165-L2179 HydrophobicContact CD2-CD2 4.47Å; Y2165-L2179 HydrophobicContact CD2-CG 4.08Å; Y2165-L2179 HydrophobicContact CE2-CD1 3.74Å; Y2165-L2179 HydrophobicContact CE2-CD2 4.44Å; Y2165-L2179 HydrophobicContact CE2-CG 4.26Å; Y2165-L2179 HydrophobicContact CG-CD1 3.35Å; Y2165-I2191 HydrophobicContact CD2-CG2 4Å; Y2165-I2191 HydrophobicContact CE2-CG2 4.35Å; Y2165-L2192 PolarHBondContact N-O 3.04Å; Y2165-I2193 HydrophobicContact CD1-CG2 4.26Å; Y2165-I2193 CarbonylContact O-C 3.14Å; Y2165-I2193 VanDerWaalsContact O-CA 3.31Å; Y2165-I2193 WeakPolarHBondContact O-CA 3.3Å; Y2165-I2193 VanDerWaalsContact O-CG2 3.31Å; Y2165-I2193 WeakPolarHBondContact O-CG2 3.37Å; Y2165-N2194 PolarHBondContact O-N 3.12Å
2166	N	34.6	Very low	32.7	Very low	87.2 Å²	87.2	103.4 Å²	103.4	47%	0.466	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.1	177.3	-69.4	-41.4	0	0	0	111.1	E2164 I2168 N2194	E2164-N2166 PolarHBondContact O-N 3.35Å; E2164-N2166 PolarHBondContact OE2-ND2 3.45Å; N2166-I2168 HydrophobicContact CB-CD1 4.37Å; N2166-I2168 PolarHBondContact O-N 3.13Å; N2166-N2194 CarbonylContact C-O 3.32Å; N2166-N2194 VanDerWaalsContact CA-O 3.27Å; N2166-N2194 WeakPolarHBondContact CA-O 3.1Å; N2166-N2194 HydrophobicContact CB-CB 4.2Å; N2166-N2194 WeakPolarHBondContact OD1-CB 3.34Å; N2166-N2194 PolarHBondContact OD1-ND2 3.3Å
2167	H	37.3	Very low	33.4	Very low	80.8 Å²	80.8	98.2 Å²	98.2	37%	0.374	50%	0.504	S	S	.	.			trans	-115.3	113.5	169.9	-147.9	-72.7	0	0	0	112	Y2165 K2169 N2175 N2194 Y2199	Y2165-H2167 HydrophobicContact CE1-CB 4.16Å; Y2165-H2167 PolarHBondContact O-N 3.46Å; H2167-K2169 PolarHBondContact CE1-O 3.19Å; H2167-N2175 PolarHBondContact CD2-ND2 3.22Å; H2167-N2175 VanDerWaalsContact CD2-ND2 3.34Å; H2167-N2175 PolarHBondContact CE1-ND2 3.13Å; H2167-N2175 PolarHBondContact NE2-ND2 3.16Å; H2167-N2194 PolarHBondContact N-O 3.42Å; H2167-Y2199 HydrophobicContact CB-CE1 4Å; H2167-Y2199 AromaticContact CD2-CE1 3.62Å; H2167-Y2199 AromaticContact CE1-CE1 3.7Å; H2167-Y2199 AromaticContact CE1-CZ 3.81Å; H2167-Y2199 PolarHBondContact CE1-OH 3.44Å; H2167-Y2199 VanDerWaalsContact CE1-OH 3.23Å; H2167-Y2199 AromaticContact CG-CE1 3.71Å; H2167-Y2199 VanDerWaalsContact CG-CE1 3.42Å; H2167-Y2199 AromaticContact CG-CZ 3.72Å; H2167-Y2199 AromaticContact ND1-CE1 3.62Å; H2167-Y2199 WeakPolarHBondContact ND1-CE1 3.18Å; H2167-Y2199 AromaticContact ND1-CZ 3.57Å; H2167-Y2199 PolarHBondContact ND1-OH 3.4Å; H2167-Y2199 AromaticContact NE2-CE1 3.71Å
2168	I	32.3	Very low	34	Very low	114.2 Å²	114.2	95.5 Å²	95.5	59%	0.586	49%	0.492	S	S	*	.			trans	-105.7	48.6	-171.6	-57.7	171.7	0	0	0	111.5	L2132 N2166	L2132-I2168 WeakPolarHBondContact O-CD1 3.32Å; N2166-I2168 HydrophobicContact CB-CD1 4.37Å; N2166-I2168 PolarHBondContact O-N 3.13Å
2169	K	33.3	Very low	34.7	Very low	153.4 Å²	153.4	92.7 Å²	92.7	67%	0.667	47%	0.473	S	S	*	.			trans	-137.9	128.3	171.7	-88.1	-174.3	176.9	-178.8	0	113.4	H2167 D2171 Y2199	H2167-K2169 PolarHBondContact CE1-O 3.19Å; K2169-D2171 PolarHBondContact O-N 3.02Å; K2169-D2171 VanDerWaalsContact O-N 3.1Å; K2169-Y2199 PolarHBondContact O-OH 3.25Å
2170	N	30.6	Very low	35.1	Very low	122.2 Å²	122.2	90.8 Å²	90.8	65%	0.653	46%	0.462	S	S	*	.			trans	-66.5	85.6	173.9	-68	-13.9	0	0	0	112.1	E2197	N2170-E2197 WeakPolarHBondContact CA-OE2 3.31Å; N2170-E2197 VanDerWaalsContact CG-OE1 3.27Å; N2170-E2197 PolarHBondContact N-OE2 2.85Å; N2170-E2197 PolarHBondContact ND2-OE1 2.92Å; N2170-E2197 PolarHBondContact ND2-OE2 2.89Å; N2170-E2197 VanDerWaalsContact ND2-OE2 3.16Å; N2170-E2197 PolarHBondContact OD1-OE1 2.88Å; N2170-E2197 PolarHBondContact OD1-OE2 2.99Å
2171	D	31.9	Very low	35.6	Very low	107.8 Å²	107.8	86.5 Å²	86.5	58%	0.576	44%	0.439	S	S	*	.			trans	-129.2	121.5	162.6	-81.9	-45.8	0	0	0	109.3	K2169 Q2173	K2169-D2171 PolarHBondContact O-N 3.02Å; K2169-D2171 VanDerWaalsContact O-N 3.1Å; D2171-Q2173 HydrophobicContact CB-CG 4.43Å; D2171-Q2173 PolarHBondContact O-N 3.08Å
2172	N	33.2	Very low	35.8	Very low	141.8 Å²	141.8	87.3 Å²	87.3	76%	0.758	44%	0.443	S	S	*	.			trans	-68.6	38.9	-176.1	-79.8	-54.4	0	0	0	113.9	Q2301	N2172-Q2301 PolarHBondContact OD1-OE1 3.44Å
2173	Q	36.9	Very low	36.1	Very low	136.8 Å²	136.8	86.1 Å²	86.1	64%	0.639	43%	0.434	S	S	*	.			trans	-107.4	138.3	-179.9	-64.5	-169	-4.7	0	0	111.5	Y2136 D2171 N2175	Y2136-Q2173 PolarHBondContact OH-NE2 2.92Å; Y2136-Q2173 PolarHBondContact OH-OE1 2.94Å; D2171-Q2173 HydrophobicContact CB-CG 4.43Å; D2171-Q2173 PolarHBondContact O-N 3.08Å; Q2173-N2175 PolarHBondContact O-N 3.01Å
2174	S	38.8	Very low	36.2	Very low	66.8 Å²	66.8	84.5 Å²	84.5	47%	0.467	43%	0.43	S	S	.	.			trans	-72.8	117.1	179.5	55.8	0	0	0	0	111.3	N2176 K2198 E2304	S2174-N2176 PolarHBondContact O-N 3Å; S2174-K2198 WeakPolarHBondContact CA-O 3.26Å; S2174-K2198 VanDerWaalsContact CB-O 3.27Å; S2174-K2198 WeakPolarHBondContact CB-O 3.4Å; S2174-E2304 WeakPolarHBondContact CB-O 3.5Å
2175	N	37.7	Very low	36.6	Very low	55.6 Å²	55.6	83.6 Å²	83.6	30%	0.297	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.9	177.3	-75.5	-8.9	0	0	0	110.6	H2167 Q2173 I2177 D2196 K2198 Y2199 K2200 F2202 N2306	H2167-N2175 PolarHBondContact CD2-ND2 3.22Å; H2167-N2175 VanDerWaalsContact CD2-ND2 3.34Å; H2167-N2175 PolarHBondContact CE1-ND2 3.13Å; H2167-N2175 PolarHBondContact NE2-ND2 3.16Å; Q2173-N2175 PolarHBondContact O-N 3.01Å; N2175-I2177 PolarHBondContact O-N 3.18Å; N2175-D2196 VanDerWaalsContact C-OD1 3.3Å; N2175-D2196 WeakPolarHBondContact CA-OD1 3.49Å; N2175-D2196 VanDerWaalsContact CB-OD1 3.31Å; N2175-D2196 WeakPolarHBondContact CB-OD1 3.35Å; N2175-D2196 PolarHBondContact ND2-OD2 3.15Å; N2175-K2198 PolarHBondContact N-O 2.76Å; N2175-Y2199 HydrophobicContact CB-CD1 3.95Å; N2175-Y2199 HydrophobicContact CB-CE1 4.06Å; N2175-Y2199 WeakPolarHBondContact O-CA 3.41Å; N2175-K2200 PolarHBondContact N-O 2.87Å; N2175-K2200 PolarHBondContact O-N 3.09Å; N2175-K2200 VanDerWaalsContact O-O 3.12Å; N2175-F2202 PolarHBondContact O-N 3.17Å; N2175-F2202 VanDerWaalsContact O-N 3.11Å; N2175-N2306 PolarHBondContact O-N 2.76Å
2176	N	36.8	Very low	36.8	Very low	86.8 Å²	86.8	82.9 Å²	82.9	46%	0.464	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.6	172.2	-70.6	-18.7	0	0	0	108.8	I2153 S2174 E2178 D2196 F2202 N2306	I2153-N2176 HydrophobicContact CD1-CB 3.77Å; S2174-N2176 PolarHBondContact O-N 3Å; N2176-E2178 PolarHBondContact O-N 3.36Å; N2176-D2196 PolarHBondContact N-OD1 3.4Å; N2176-D2196 PolarHBondContact O-N 2.83Å; N2176-F2202 HydrophobicContact CB-CB 4.5Å; N2176-F2202 WeakPolarHBondContact OD1-CD2 3.41Å; N2176-N2306 WeakPolarHBondContact OD1-CB 3.49Å; N2176-N2306 PolarHBondContact OD1-ND2 3.2Å
2177	I	38.5	Very low	37.2	Very low	18.8 Å²	18.8	81.9 Å²	81.9	10%	0.096	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	104.4	175.9	-57.5	174.6	0	0	0	107.9	I2153 Y2165 N2175 L2179 I2193 N2194 Y2199 K2200 I2201 F2202 F2203 E2204 F2290 N2306 I2307 Y2308	I2153-I2177 WeakPolarHBondContact CG2-O 3.08Å; Y2165-I2177 HydrophobicContact CD1-CD1 4.07Å; Y2165-I2177 HydrophobicContact CD1-CG2 4.19Å; Y2165-I2177 HydrophobicContact CE1-CD1 3.79Å; Y2165-I2177 HydrophobicContact CE1-CG1 3.9Å; Y2165-I2177 HydrophobicContact CE1-CG2 3.76Å; Y2165-I2177 HydrophobicContact CE2-CG2 4.34Å; N2175-I2177 PolarHBondContact O-N 3.18Å; I2177-L2179 HydrophobicContact CG2-CB 3.81Å; I2177-L2179 HydrophobicContact CG2-CD1 4.01Å; I2177-L2179 HydrophobicContact CG2-CG 4.05Å; I2177-L2179 PolarHBondContact O-N 2.61Å; I2177-I2193 HydrophobicContact CD1-CD1 4.24Å; I2177-I2193 HydrophobicContact CG2-CG2 3.88Å; I2177-N2194 WeakPolarHBondContact CA-O 3.26Å; I2177-Y2199 HydrophobicContact CD1-CD1 3.98Å; I2177-Y2199 HydrophobicContact CD1-CE1 4.49Å; I2177-Y2199 HydrophobicContact CD1-CG 4.2Å; I2177-Y2199 HydrophobicContact CG1-CD1 4.42Å; I2177-K2200 WeakPolarHBondContact CB-O 3.31Å; I2177-K2200 PolarHBondContact N-O 2.81Å; I2177-I2201 HydrophobicContact CD1-CG2 4.15Å; I2177-I2201 HydrophobicContact CG1-CG2 4.41Å; I2177-F2202 CarbonylContact C-O 3.59Å; I2177-F2202 WeakPolarHBondContact CA-O 3.44Å; I2177-F2202 PolarHBondContact N-O 3.05Å; I2177-F2202 CarbonylContact O-C 3.59Å; I2177-F2202 PolarHBondContact O-N 2.83Å; I2177-F2203 HydrophobicContact CB-CD1 4.26Å; I2177-F2203 HydrophobicContact CB-CD2 4.45Å; I2177-F2203 HydrophobicContact CB-CE1 4Å; I2177-F2203 HydrophobicContact CD1-CE1 4.04Å; I2177-F2203 HydrophobicContact CD1-CZ 4.04Å; I2177-F2203 HydrophobicContact CG2-CD1 4.23Å; I2177-F2203 HydrophobicContact CG2-CD2 4.29Å; I2177-F2203 HydrophobicContact CG2-CE1 3.89Å; I2177-F2203 HydrophobicContact CG2-CE2 4.5Å; I2177-F2203 WeakPolarHBondContact O-CA 3.28Å; I2177-E2204 PolarHBondContact O-N 2.98Å; I2177-F2290 HydrophobicContact CD1-CZ 4.24Å; I2177-N2306 PolarHBondContact N-O 3.44Å; I2177-N2306 VanDerWaalsContact N-O 3.15Å; I2177-I2307 WeakPolarHBondContact O-CA 3.45Å; I2177-Y2308 PolarHBondContact O-N 3.47Å
2178	E	38.1	Very low	37.6	Very low	98.6 Å²	98.6	81 Å²	81	46%	0.461	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108.1	175.7	-127.2	171.6	-158.9	0	0	109.8	Y2141 I2153 T2154 N2176 T2180 I2193 N2194 E2204 K2206	Y2141-E2178 VanDerWaalsContact CE1-OE2 3.3Å; Y2141-E2178 WeakPolarHBondContact CE1-OE2 3.25Å; I2153-E2178 VanDerWaalsContact CG2-CA 3.44Å; I2153-E2178 HydrophobicContact CG2-CB 3.98Å; I2153-E2178 HydrophobicContact CG2-CG 4.14Å; T2154-E2178 WeakPolarHBondContact CB-OE1 3.44Å; T2154-E2178 PolarHBondContact N-OE1 3.04Å; T2154-E2178 CarbonylContact O-C 3.4Å; T2154-E2178 VanDerWaalsContact OG1-CG 3.26Å; T2154-E2178 WeakPolarHBondContact OG1-CG 3.31Å; T2154-E2178 PolarHBondContact OG1-OE1 2.86Å; N2176-E2178 PolarHBondContact O-N 3.36Å; E2178-T2180 HydrophobicContact CG-CG2 4.45Å; E2178-I2193 WeakPolarHBondContact O-CA 3.47Å; E2178-N2194 HydrophobicContact CB-CB 4.2Å; E2178-N2194 PolarHBondContact N-O 3.48Å; E2178-N2194 PolarHBondContact O-N 3.08Å; E2178-N2194 PolarHBondContact OE2-ND2 2.86Å; E2178-E2204 HydrophobicContact CB-CB 4.48Å; E2178-E2204 HydrophobicContact CG-CB 4.05Å; E2178-K2206 IonicContact OE1-NZ 3.41Å; E2178-K2206 PolarHBondContact OE1-NZ 3.44Å; E2178-K2206 IonicContact OE2-NZ 3.94Å; E2178-K2206 PolarHBondContact OE2-NZ 2.84Å
2179	L	39.3	Very low	38.2	Very low	24.2 Å²	24.2	76.2 Å²	76.2	13%	0.127	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124	-179	-85.1	167.6	0	0	0	111.3	T2154 N2155 I2163 Y2165 I2177 L2181 I2191 I2193 F2202 F2203 E2204 I2205 K2206 L2288 Y2308 L2309	T2154-L2179 CarbonylContact C-O 3.01Å; T2154-L2179 PolarHBondContact O-N 2.96Å; N2155-L2179 PolarHBondContact N-O 3Å; I2163-L2179 HydrophobicContact CD1-CD2 4.5Å; I2163-L2179 HydrophobicContact CG2-CD2 4.32Å; Y2165-L2179 HydrophobicContact CD1-CD1 4.08Å; Y2165-L2179 HydrophobicContact CD2-CD1 3.18Å; Y2165-L2179 HydrophobicContact CD2-CD2 4.47Å; Y2165-L2179 HydrophobicContact CD2-CG 4.08Å; Y2165-L2179 HydrophobicContact CE2-CD1 3.74Å; Y2165-L2179 HydrophobicContact CE2-CD2 4.44Å; Y2165-L2179 HydrophobicContact CE2-CG 4.26Å; Y2165-L2179 HydrophobicContact CG-CD1 3.35Å; I2177-L2179 HydrophobicContact CG2-CB 3.81Å; I2177-L2179 HydrophobicContact CG2-CD1 4.01Å; I2177-L2179 HydrophobicContact CG2-CG 4.05Å; I2177-L2179 PolarHBondContact O-N 2.61Å; L2179-L2181 HydrophobicContact CB-CD1 4.41Å; L2179-I2191 HydrophobicContact CD1-CD1 3.67Å; L2179-I2191 HydrophobicContact CD1-CG1 4.26Å; L2179-I2191 HydrophobicContact CD1-CG2 4.38Å; L2179-I2193 HydrophobicContact CD2-CB 4.11Å; L2179-I2193 HydrophobicContact CD2-CD1 3.94Å; L2179-I2193 HydrophobicContact CD2-CG1 3.66Å; L2179-I2193 HydrophobicContact CD2-CG2 3.8Å; L2179-F2202 PolarHBondContact N-O 2.82Å; L2179-F2203 HydrophobicContact CB-CD1 3.97Å; L2179-F2203 HydrophobicContact CB-CE1 3.67Å; L2179-F2203 HydrophobicContact CB-CZ 4.24Å; L2179-F2203 HydrophobicContact CD1-CD1 4.47Å; L2179-F2203 HydrophobicContact CD1-CD2 4.41Å; L2179-F2203 HydrophobicContact CD1-CE1 3.57Å; L2179-F2203 HydrophobicContact CD1-CE2 3.76Å; L2179-F2203 HydrophobicContact CD1-CZ 3.44Å; L2179-F2203 HydrophobicContact CG-CE1 4.25Å; L2179-F2203 HydrophobicContact CG-CZ 4.38Å; L2179-E2204 CarbonylContact C-O 3.57Å; L2179-E2204 WeakPolarHBondContact CA-O 3.26Å; L2179-E2204 PolarHBondContact N-O 3.13Å; L2179-E2204 PolarHBondContact O-N 2.96Å; L2179-E2204 VanDerWaalsContact O-O 3.05Å; L2179-I2205 WeakPolarHBondContact O-CA 3.42Å; L2179-K2206 PolarHBondContact O-N 2.94Å; L2179-K2206 VanDerWaalsContact O-N 3.13Å; L2179-L2288 HydrophobicContact CD1-CD1 4.35Å; L2179-Y2308 PolarHBondContact N-O 2.79Å; L2179-Y2308 VanDerWaalsContact N-O 3.08Å; L2179-L2309 HydrophobicContact CB-CD2 3.99Å; L2179-L2309 HydrophobicContact CD1-CD2 4.16Å
2180	T	37	Very low	38.9	Very low	46.4 Å²	46.4	70.1 Å²	70.1	29%	0.285	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	105.3	-174	28.3	0	0	0	0	112.3	N2155 N2156 I2163 E2178 L2182 L2192 E2204 K2206 E2310	N2155-T2180 CarbonylContact O-C 3.11Å; N2155-T2180 WeakPolarHBondContact O-CA 3.38Å; N2155-T2180 WeakPolarHBondContact O-CB 3.29Å; N2155-T2180 WeakPolarHBondContact O-CG2 3.12Å; N2156-T2180 VanDerWaalsContact CA-C 3.4Å; N2156-T2180 WeakPolarHBondContact CA-O 3.02Å; I2163-T2180 WeakPolarHBondContact CD1-O 3.07Å; E2178-T2180 HydrophobicContact CG-CG2 4.45Å; T2180-L2182 VanDerWaalsContact C-N 3.34Å; T2180-L2182 HydrophobicContact CG2-CD2 4.32Å; T2180-L2182 HydrophobicContact CG2-CG 4.12Å; T2180-L2182 PolarHBondContact O-N 2.8Å; T2180-L2192 PolarHBondContact N-O 3.1Å; T2180-L2192 PolarHBondContact O-N 3.13Å; T2180-L2192 WeakPolarHBondContact OG1-CB 3.4Å; T2180-E2204 WeakPolarHBondContact CA-O 3.28Å; T2180-E2204 HydrophobicContact CG2-CB 4.31Å; T2180-K2206 HydrophobicContact CG2-CB 4.35Å; T2180-K2206 HydrophobicContact CG2-CD 4.21Å; T2180-E2310 HydrophobicContact CG2-CB 4.4Å
2181	L	40.2	Very low	39.7	Very low	26.8 Å²	26.8	64.6 Å²	64.6	14%	0.14	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.9	172.9	-100.2	149.3	0	0	0	110.7	N2155 N2156 Q2157 I2163 L2179 Q2183 L2189 I2191 I2205 K2206 K2207 I2208 I2209	N2155-L2181 CarbonylContact C-O 3.56Å; N2155-L2181 WeakPolarHBondContact CA-O 3Å; N2156-L2181 VanDerWaalsContact C-C 3.44Å; N2156-L2181 VanDerWaalsContact C-CA 3.42Å; N2156-L2181 VanDerWaalsContact CA-N 3.33Å; N2156-L2181 PolarHBondContact N-O 2.83Å; Q2157-L2181 VanDerWaalsContact N-CD2 3.34Å; I2163-L2181 HydrophobicContact CD1-CD2 3.56Å; I2163-L2181 HydrophobicContact CD1-CG 3.88Å; L2179-L2181 HydrophobicContact CB-CD1 4.41Å; L2181-Q2183 VanDerWaalsContact C-N 3.31Å; L2181-Q2183 PolarHBondContact O-N 2.93Å; L2181-Q2183 VanDerWaalsContact O-N 3.15Å; L2181-L2189 HydrophobicContact CD1-CD1 3.69Å; L2181-L2189 HydrophobicContact CD1-CD2 3.56Å; L2181-L2189 HydrophobicContact CD1-CG 4.23Å; L2181-L2189 HydrophobicContact CD2-CD1 3.76Å; L2181-L2189 VanDerWaalsContact CD2-CD1 3.49Å; L2181-L2189 HydrophobicContact CD2-CD2 4.04Å; L2181-L2189 HydrophobicContact CG-CD1 4.22Å; L2181-L2189 HydrophobicContact CG-CD2 4.26Å; L2181-I2191 HydrophobicContact CD1-CD1 3.38Å; L2181-I2191 HydrophobicContact CD1-CG1 3.9Å; L2181-I2191 HydrophobicContact CG-CD1 4.2Å; L2181-I2205 HydrophobicContact CD1-CG2 4.34Å; L2181-K2206 CarbonylContact C-O 3.52Å; L2181-K2206 PolarHBondContact N-O 2.92Å; L2181-K2206 VanDerWaalsContact N-O 3.16Å; L2181-K2207 PolarHBondContact N-O 2.6Å; L2181-K2207 VanDerWaalsContact N-O 3.16Å; L2181-I2208 WeakPolarHBondContact O-CA 3.49Å; L2181-I2209 PolarHBondContact O-N 2.69Å
2182	L	36.5	Very low	40.4	Very low	83.2 Å²	83.2	61.3 Å²	61.3	44%	0.436	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-16.7	-174.3	-90.7	162.9	0	0	0	112.9	K2145 I2150 N2156 T2180 S2190 L2192 F2202 I2208 I2209	K2145-L2182 HydrophobicContact CG-CD1 4.24Å; I2150-L2182 HydrophobicContact CG2-CD1 4.28Å; N2156-L2182 VanDerWaalsContact CA-N 3.32Å; N2156-L2182 HydrophobicContact CB-CB 4.42Å; N2156-L2182 CarbonylContact O-C 3.45Å; N2156-L2182 WeakPolarHBondContact O-CA 3.14Å; N2156-L2182 WeakPolarHBondContact O-CB 2.86Å; N2156-L2182 PolarHBondContact O-N 3.19Å; N2156-L2182 WeakPolarHBondContact OD1-CB 3.12Å; N2156-L2182 WeakPolarHBondContact OD1-CD1 3.28Å; T2180-L2182 VanDerWaalsContact C-N 3.34Å; T2180-L2182 HydrophobicContact CG2-CD2 4.32Å; T2180-L2182 HydrophobicContact CG2-CG 4.12Å; T2180-L2182 PolarHBondContact O-N 2.8Å; L2182-S2190 PolarHBondContact N-O 2.9Å; L2182-S2190 VanDerWaalsContact N-O 3.12Å; L2182-L2192 HydrophobicContact CD1-CB 3.77Å; L2182-L2192 HydrophobicContact CG-CB 4.39Å; L2182-F2202 HydrophobicContact CD1-CD2 4.23Å; L2182-F2202 HydrophobicContact CD1-CE2 3.82Å; L2182-I2208 HydrophobicContact CD2-CD1 3.48Å; L2182-I2208 VanDerWaalsContact CD2-CD1 3.48Å; L2182-I2208 HydrophobicContact CD2-CG1 4.17Å; L2182-I2209 WeakPolarHBondContact O-CB 3.45Å; L2182-I2209 VanDerWaalsContact O-CD1 3.23Å; L2182-I2209 WeakPolarHBondContact O-CD1 3.35Å; L2182-I2209 VanDerWaalsContact O-CG1 3.28Å; L2182-I2209 WeakPolarHBondContact O-CG1 3.38Å
2183	Q	40	Very low	41.1	Very low	79.8 Å²	79.8	54.8 Å²	54.8	37%	0.373	29%	0.293	S	S	.	.			trans	-145	136.6	174.4	-123.5	176.1	-25.4	0	0	111	N2156 Q2157 D2161 L2181 N2185 S2190 I2209 N2211	N2156-Q2183 PolarHBondContact O-N 3.24Å; Q2157-Q2183 CarbonylContact C-O 2.98Å; Q2157-Q2183 WeakPolarHBondContact CA-O 3.44Å; D2161-Q2183 PolarHBondContact OD2-NE2 2.82Å; L2181-Q2183 VanDerWaalsContact C-N 3.31Å; L2181-Q2183 PolarHBondContact O-N 2.93Å; L2181-Q2183 VanDerWaalsContact O-N 3.15Å; Q2183-N2185 PolarHBondContact NE2-OD1 3.06Å; Q2183-S2190 PolarHBondContact N-OG 3.13Å; Q2183-S2190 PolarHBondContact O-N 2.96Å; Q2183-S2190 VanDerWaalsContact O-N 3.11Å; Q2183-I2209 HydrophobicContact CG-CD1 3.82Å; Q2183-I2209 HydrophobicContact CG-CG1 4.33Å; Q2183-N2211 PolarHBondContact NE2-ND2 3.34Å
2184	S	38.1	Very low	41.6	Very low	36.8 Å²	36.8	49.5 Å²	49.5	26%	0.257	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	111.2	164.2	67.6	0	0	0	0	111.3	I2209	S2184-I2209 PolarHBondContact N-O 3.17Å; S2184-I2209 VanDerWaalsContact N-O 3.13Å
2185	N	40.6	Very low	42	Very low	89.8 Å²	89.8	46.8 Å²	46.8	48%	0.48	25%	0.249	S	C	.	.			trans	-115.9	38.7	175.6	-70.7	-21.6	0	0	0	111.9	T2158 Q2183 N2187 N2188	T2158-N2185 HydrophobicContact CG2-CB 3.63Å; Q2183-N2185 PolarHBondContact NE2-OD1 3.06Å; N2185-N2187 VanDerWaalsContact C-N 3.31Å; N2185-N2187 PolarHBondContact O-N 2.83Å; N2185-N2188 PolarHBondContact N-O 2.75Å; N2185-N2188 VanDerWaalsContact N-O 3.14Å; N2185-N2188 PolarHBondContact O-N 2.94Å
2186	N	41.3	Very low	42.3	Very low	83.2 Å²	83.2	46 Å²	46	45%	0.445	25%	0.246	S	C	.	.	S	Bend	trans	-90.1	118.6	-177.1	-77	-20.7	0	0	0	115.9	T2158 T2159 N2188 H2216	T2158-N2186 PolarHBondContact O-ND2 2.94Å; T2158-N2186 PolarHBondContact O-OD1 3.27Å; T2159-N2186 WeakPolarHBondContact CG2-ND2 2.99Å; T2159-N2186 PolarHBondContact OG1-ND2 3.38Å; N2186-N2188 VanDerWaalsContact C-N 3.27Å; N2186-N2188 PolarHBondContact O-N 3.31Å; N2186-N2188 VanDerWaalsContact O-N 3.15Å; N2186-H2216 PolarHBondContact O-CE1 2.83Å; N2186-H2216 PolarHBondContact O-ND1 3.5Å
2187	N	43.5	Very low	42.7	Very low	66.4 Å²	66.4	45.5 Å²	45.5	36%	0.355	24%	0.24	S	C	.	.	S	Bend	trans	-85.1	-9.3	-170.8	-67.1	-12.8	0	0	0	114.7	T2159 D2161 N2185 L2189 K2207 F2214 N2215 H2216 F2217	T2159-N2187 PolarHBondContact OG1-OD1 2.81Å; T2159-N2187 VanDerWaalsContact OG1-OD1 3.05Å; D2161-N2187 PolarHBondContact OD2-ND2 3.18Å; D2161-N2187 VanDerWaalsContact OD2-ND2 3.13Å; N2185-N2187 VanDerWaalsContact C-N 3.31Å; N2185-N2187 PolarHBondContact O-N 2.83Å; N2187-L2189 PolarHBondContact O-N 2.92Å; N2187-K2207 HydrophobicContact CB-CB 4.16Å; N2187-K2207 WeakPolarHBondContact O-CB 3.25Å; N2187-K2207 PolarHBondContact O-N 3.45Å; N2187-F2214 VanDerWaalsContact ND2-CB 3.25Å; N2187-F2214 WeakPolarHBondContact ND2-CB 3.03Å; N2187-F2214 WeakPolarHBondContact OD1-CB 3.49Å; N2187-N2215 WeakPolarHBondContact CA-O 3.39Å; N2187-N2215 VanDerWaalsContact CB-O 3.31Å; N2187-N2215 WeakPolarHBondContact CB-O 3.15Å; N2187-N2215 VanDerWaalsContact O-O 3.11Å; N2187-H2216 CarbonylContact O-C 3.14Å; N2187-H2216 WeakPolarHBondContact O-CA 3.31Å; N2187-F2217 PolarHBondContact O-N 3.1Å
2188	N	44.6	Very low	42.9	Very low	61.4 Å²	61.4	49.9 Å²	49.9	33%	0.328	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128	-178.4	-67.3	-18	0	0	0	110.4	N2160 D2161 N2185 N2186 S2190 I2205 F2217	N2160-N2188 PolarHBondContact N-O 2.93Å; N2160-N2188 VanDerWaalsContact N-O 3.11Å; N2160-N2188 VanDerWaalsContact OD1-CB 3.22Å; N2160-N2188 WeakPolarHBondContact OD1-CB 3.2Å; N2160-N2188 PolarHBondContact OD1-ND2 3.42Å; D2161-N2188 VanDerWaalsContact CG-O 3.28Å; D2161-N2188 PolarHBondContact N-O 3.1Å; N2185-N2188 PolarHBondContact N-O 2.75Å; N2185-N2188 VanDerWaalsContact N-O 3.14Å; N2185-N2188 PolarHBondContact O-N 2.94Å; N2186-N2188 VanDerWaalsContact C-N 3.27Å; N2186-N2188 PolarHBondContact O-N 3.31Å; N2186-N2188 VanDerWaalsContact O-N 3.15Å; N2188-S2190 PolarHBondContact O-N 2.75Å; N2188-I2205 WeakPolarHBondContact CA-O 3.32Å; N2188-F2217 CarbonylContact C-O 3.51Å; N2188-F2217 WeakPolarHBondContact OD1-CB 3.47Å; N2188-F2217 VanDerWaalsContact OD1-CD2 3.29Å; N2188-F2217 WeakPolarHBondContact OD1-CD2 3.4Å; N2188-F2217 WeakPolarHBondContact OD1-CG 3.49Å
2189	L	45.7	Very low	43.2	Very low	14.2 Å²	14.2	46.1 Å²	46.1	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125	171.7	-164.8	125.5	0	0	0	109	Q2157 D2161 I2163 L2181 N2187 I2191 I2205 F2217 I2218 N2219 L2272	Q2157-L2189 WeakPolarHBondContact O-CD1 3.25Å; D2161-L2189 HydrophobicContact CB-CD1 4.11Å; D2161-L2189 HydrophobicContact CB-CD2 4.12Å; D2161-L2189 HydrophobicContact CB-CG 4.35Å; D2161-L2189 WeakPolarHBondContact O-CD2 2.99Å; I2163-L2189 HydrophobicContact CD1-CD1 4.11Å; L2181-L2189 HydrophobicContact CD1-CD1 3.69Å; L2181-L2189 HydrophobicContact CD1-CD2 3.56Å; L2181-L2189 HydrophobicContact CD1-CG 4.23Å; L2181-L2189 HydrophobicContact CD2-CD1 3.76Å; L2181-L2189 VanDerWaalsContact CD2-CD1 3.49Å; L2181-L2189 HydrophobicContact CD2-CD2 4.04Å; L2181-L2189 HydrophobicContact CG-CD1 4.22Å; L2181-L2189 HydrophobicContact CG-CD2 4.26Å; N2187-L2189 PolarHBondContact O-N 2.92Å; L2189-I2191 HydrophobicContact CD2-CD1 3.66Å; L2189-I2191 VanDerWaalsContact CD2-CD1 3.44Å; L2189-I2191 HydrophobicContact CD2-CG1 3.89Å; L2189-I2191 HydrophobicContact CG-CG1 4.28Å; L2189-I2205 HydrophobicContact CB-CB 4.45Å; L2189-I2205 HydrophobicContact CD2-CD1 4.38Å; L2189-I2205 HydrophobicContact CD2-CG2 4.32Å; L2189-I2205 PolarHBondContact N-O 3.46Å; L2189-I2205 PolarHBondContact O-N 3.38Å; L2189-F2217 PolarHBondContact N-O 3.12Å; L2189-I2218 HydrophobicContact CB-CG1 4.42Å; L2189-I2218 HydrophobicContact CD2-CG1 4.38Å; L2189-I2218 HydrophobicContact CD2-CG2 4.31Å; L2189-I2218 CarbonylContact O-C 3.56Å; L2189-I2218 WeakPolarHBondContact O-CA 3.42Å; L2189-N2219 PolarHBondContact O-N 3.18Å; L2189-L2272 HydrophobicContact CD2-CD1 4.42Å
2190	S	46.9	Very low	43.4	Very low	24 Å²	24	48.3 Å²	48.3	17%	0.168	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.6	178.7	32.8	0	0	0	0	111.1	D2161 L2162 I2163 L2182 Q2183 N2188 F2203 N2219	D2161-S2190 CarbonylContact C-O 3.48Å; D2161-S2190 WeakPolarHBondContact O-CB 3.21Å; D2161-S2190 PolarHBondContact O-N 3.14Å; D2161-S2190 VanDerWaalsContact O-O 3.11Å; D2161-S2190 PolarHBondContact O-OG 2.77Å; D2161-S2190 VanDerWaalsContact O-OG 3.05Å; L2162-S2190 CarbonylContact C-O 3.59Å; L2162-S2190 WeakPolarHBondContact CA-O 3.46Å; I2163-S2190 PolarHBondContact N-O 3.41Å; I2163-S2190 VanDerWaalsContact N-O 3.07Å; L2182-S2190 PolarHBondContact N-O 2.9Å; L2182-S2190 VanDerWaalsContact N-O 3.12Å; Q2183-S2190 PolarHBondContact N-OG 3.13Å; Q2183-S2190 PolarHBondContact O-N 2.96Å; Q2183-S2190 VanDerWaalsContact O-N 3.11Å; N2188-S2190 PolarHBondContact O-N 2.75Å; S2190-F2203 VanDerWaalsContact CA-O 3.26Å; S2190-F2203 WeakPolarHBondContact CA-O 3.45Å; S2190-N2219 CarbonylContact C-O 3.52Å; S2190-N2219 WeakPolarHBondContact CA-O 3.43Å
2191	I	47.5	Very low	43.7	Very low	6.8 Å²	6.8	46.5 Å²	46.5	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.7	176.2	-53.2	168.6	0	0	0	108.4	I2163 Y2165 L2179 L2181 L2189 I2193 F2202 F2203 I2205 N2219 V2220 S2221 F2286	I2163-I2191 HydrophobicContact CB-CG1 4.5Å; I2163-I2191 HydrophobicContact CB-CG2 4.36Å; I2163-I2191 WeakPolarHBondContact O-CA 3.17Å; I2163-I2191 WeakPolarHBondContact O-CG2 3.38Å; Y2165-I2191 HydrophobicContact CD2-CG2 4Å; Y2165-I2191 HydrophobicContact CE2-CG2 4.35Å; L2179-I2191 HydrophobicContact CD1-CD1 3.67Å; L2179-I2191 HydrophobicContact CD1-CG1 4.26Å; L2179-I2191 HydrophobicContact CD1-CG2 4.38Å; L2181-I2191 HydrophobicContact CD1-CD1 3.38Å; L2181-I2191 HydrophobicContact CD1-CG1 3.9Å; L2181-I2191 HydrophobicContact CG-CD1 4.2Å; L2189-I2191 HydrophobicContact CD2-CD1 3.66Å; L2189-I2191 VanDerWaalsContact CD2-CD1 3.44Å; L2189-I2191 HydrophobicContact CD2-CG1 3.89Å; L2189-I2191 HydrophobicContact CG-CG1 4.28Å; I2191-I2193 HydrophobicContact CG2-CD1 4.18Å; I2191-I2193 HydrophobicContact CG2-CG1 4.06Å; I2191-F2202 WeakPolarHBondContact O-CA 3.35Å; I2191-F2203 HydrophobicContact CB-CB 4.28Å; I2191-F2203 HydrophobicContact CD1-CE1 3.52Å; I2191-F2203 HydrophobicContact CD1-CE2 4.29Å; I2191-F2203 HydrophobicContact CD1-CZ 3.85Å; I2191-F2203 HydrophobicContact CG2-CZ 3.91Å; I2191-F2203 PolarHBondContact N-O 3.41Å; I2191-F2203 PolarHBondContact O-N 3.37Å; I2191-I2205 HydrophobicContact CD1-CD1 3.51Å; I2191-I2205 HydrophobicContact CD1-CG1 4.1Å; I2191-N2219 PolarHBondContact N-O 2.84Å; I2191-V2220 HydrophobicContact CB-CG2 4.48Å; I2191-V2220 HydrophobicContact CD1-CG2 4.29Å; I2191-V2220 WeakPolarHBondContact O-CA 3.42Å; I2191-S2221 PolarHBondContact O-N 3.28Å; I2191-S2221 PolarHBondContact O-OG 2.82Å; I2191-F2286 HydrophobicContact CD1-CD1 4.33Å; I2191-F2286 HydrophobicContact CD1-CE1 3.45Å; I2191-F2286 VanDerWaalsContact CD1-CE1 3.45Å; I2191-F2286 HydrophobicContact CD1-CZ 4Å
2192	L	46.2	Very low	43.9	Very low	39 Å²	39	48.8 Å²	48.8	20%	0.204	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.7	175	-134.7	141.6	0	0	0	109	L2162 I2163 E2164 Y2165 T2180 L2182 N2194 K2200 I2201 F2202 S2221 Y2223	L2162-L2192 HydrophobicContact CD1-CD1 3.52Å; L2162-L2192 HydrophobicContact CD2-CB 3.99Å; L2162-L2192 HydrophobicContact CD2-CD1 4.22Å; L2162-L2192 HydrophobicContact CG-CD1 3.73Å; I2163-L2192 PolarHBondContact O-N 2.98Å; I2163-L2192 VanDerWaalsContact O-N 3.16Å; E2164-L2192 CarbonylContact C-O 3.24Å; E2164-L2192 WeakPolarHBondContact CA-O 3.38Å; E2164-L2192 HydrophobicContact CG-CB 4.1Å; E2164-L2192 HydrophobicContact CG-CD1 4.18Å; E2164-L2192 HydrophobicContact CG-CG 4.46Å; Y2165-L2192 PolarHBondContact N-O 3.04Å; T2180-L2192 PolarHBondContact N-O 3.1Å; T2180-L2192 PolarHBondContact O-N 3.13Å; T2180-L2192 WeakPolarHBondContact OG1-CB 3.4Å; L2182-L2192 HydrophobicContact CD1-CB 3.77Å; L2182-L2192 HydrophobicContact CG-CB 4.39Å; L2192-N2194 HydrophobicContact CD2-CB 4.18Å; L2192-K2200 HydrophobicContact CD1-CB 4.19Å; L2192-I2201 WeakPolarHBondContact CA-O 3.46Å; L2192-F2202 HydrophobicContact CB-CD2 4.47Å; L2192-F2202 HydrophobicContact CD1-CB 4.04Å; L2192-F2202 HydrophobicContact CD1-CD2 4.08Å; L2192-S2221 CarbonylContact C-O 3.56Å; L2192-S2221 WeakPolarHBondContact CA-O 3.37Å; L2192-S2221 WeakPolarHBondContact CA-OG 3.34Å; L2192-S2221 WeakPolarHBondContact CB-OG 3.49Å; L2192-S2221 WeakPolarHBondContact CD2-OG 3.47Å; L2192-S2221 VanDerWaalsContact CG-OG 3.31Å; L2192-S2221 WeakPolarHBondContact CG-OG 3.35Å; L2192-Y2223 HydrophobicContact CD2-CD2 4.17Å; L2192-Y2223 HydrophobicContact CD2-CE2 3.32Å
2193	I	49.5	Very low	44.3	Very low	5.8 Å²	5.8	45.6 Å²	45.6	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.8	178.5	-49.3	170.1	0	0	0	107.5	Y2165 I2177 E2178 L2179 I2191 I2195 K2200 I2201 F2203 V2220 S2221 L2222 Y2223	Y2165-I2193 HydrophobicContact CD1-CG2 4.26Å; Y2165-I2193 CarbonylContact O-C 3.14Å; Y2165-I2193 VanDerWaalsContact O-CA 3.31Å; Y2165-I2193 WeakPolarHBondContact O-CA 3.3Å; Y2165-I2193 VanDerWaalsContact O-CG2 3.31Å; Y2165-I2193 WeakPolarHBondContact O-CG2 3.37Å; I2177-I2193 HydrophobicContact CD1-CD1 4.24Å; I2177-I2193 HydrophobicContact CG2-CG2 3.88Å; E2178-I2193 WeakPolarHBondContact O-CA 3.47Å; L2179-I2193 HydrophobicContact CD2-CB 4.11Å; L2179-I2193 HydrophobicContact CD2-CD1 3.94Å; L2179-I2193 HydrophobicContact CD2-CG1 3.66Å; L2179-I2193 HydrophobicContact CD2-CG2 3.8Å; I2191-I2193 HydrophobicContact CG2-CD1 4.18Å; I2191-I2193 HydrophobicContact CG2-CG1 4.06Å; I2193-I2195 HydrophobicContact CB-CD1 4.17Å; I2193-I2195 HydrophobicContact CB-CG1 4.34Å; I2193-I2195 HydrophobicContact CG2-CD1 4.11Å; I2193-I2195 HydrophobicContact CG2-CG1 3.89Å; I2193-I2195 WeakPolarHBondContact O-CG1 2.85Å; I2193-K2200 CarbonylContact O-C 3.6Å; I2193-K2200 WeakPolarHBondContact O-CA 3.47Å; I2193-I2201 HydrophobicContact CB-CB 4.22Å; I2193-I2201 HydrophobicContact CD1-CD1 4.11Å; I2193-I2201 HydrophobicContact CD1-CG2 4.3Å; I2193-I2201 HydrophobicContact CG2-CD1 4.28Å; I2193-I2201 PolarHBondContact N-O 3.17Å; I2193-I2201 PolarHBondContact O-N 3.32Å; I2193-F2203 HydrophobicContact CB-CZ 4.39Å; I2193-F2203 HydrophobicContact CD1-CD2 4.4Å; I2193-F2203 HydrophobicContact CD1-CE1 3.58Å; I2193-F2203 HydrophobicContact CD1-CE2 3.83Å; I2193-F2203 VanDerWaalsContact CD1-CE2 3.48Å; I2193-F2203 HydrophobicContact CD1-CZ 3.52Å; I2193-F2203 HydrophobicContact CG1-CD2 4.42Å; I2193-F2203 HydrophobicContact CG1-CE1 3.98Å; I2193-F2203 HydrophobicContact CG1-CE2 4.24Å; I2193-F2203 HydrophobicContact CG1-CZ 3.43Å; I2193-F2203 VanDerWaalsContact CG1-CZ 3.43Å; I2193-F2203 HydrophobicContact CG2-CZ 4.3Å; I2193-V2220 HydrophobicContact CD1-CG1 4.05Å; I2193-S2221 PolarHBondContact N-O 3.06Å; I2193-L2222 HydrophobicContact CB-CD2 4.06Å; I2193-L2222 HydrophobicContact CD1-CD2 4.04Å; I2193-L2222 HydrophobicContact CG2-CD2 4.32Å; I2193-L2222 WeakPolarHBondContact O-CA 3.25Å; I2193-Y2223 PolarHBondContact O-N 3.14Å
2194	N	46.6	Very low	44.5	Very low	24.8 Å²	24.8	44.1 Å²	44.1	13%	0.133	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.3	175.5	-148.6	17.4	0	0	0	109.3	Y2165 N2166 H2167 I2177 E2178 L2192 D2196 Y2199 K2200 Y2223 K2225	Y2165-N2194 PolarHBondContact O-N 3.12Å; N2166-N2194 CarbonylContact C-O 3.32Å; N2166-N2194 VanDerWaalsContact CA-O 3.27Å; N2166-N2194 WeakPolarHBondContact CA-O 3.1Å; N2166-N2194 HydrophobicContact CB-CB 4.2Å; N2166-N2194 WeakPolarHBondContact OD1-CB 3.34Å; N2166-N2194 PolarHBondContact OD1-ND2 3.3Å; H2167-N2194 PolarHBondContact N-O 3.42Å; I2177-N2194 WeakPolarHBondContact CA-O 3.26Å; E2178-N2194 HydrophobicContact CB-CB 4.2Å; E2178-N2194 PolarHBondContact N-O 3.48Å; E2178-N2194 PolarHBondContact O-N 3.08Å; E2178-N2194 PolarHBondContact OE2-ND2 2.86Å; L2192-N2194 HydrophobicContact CD2-CB 4.18Å; N2194-D2196 PolarHBondContact ND2-OD1 2.72Å; N2194-Y2199 CarbonylContact C-O 3.48Å; N2194-K2200 VanDerWaalsContact OD1-CD 3.29Å; N2194-K2200 WeakPolarHBondContact OD1-CD 3.34Å; N2194-K2200 VanDerWaalsContact OD1-CG 3.26Å; N2194-K2200 WeakPolarHBondContact OD1-CG 3.43Å; N2194-Y2223 CarbonylContact C-O 3.49Å; N2194-Y2223 WeakPolarHBondContact CA-O 3.43Å; N2194-Y2223 WeakPolarHBondContact OD1-CB 3.36Å; N2194-Y2223 PolarHBondContact OD1-O 2.92Å; N2194-K2225 PolarHBondContact ND2-NZ 2.96Å; N2194-K2225 WeakPolarHBondContact OD1-CE 3.38Å; N2194-K2225 PolarHBondContact OD1-NZ 3.21Å
2195	I	48.1	Very low	44.9	Very low	9.4 Å²	9.4	43.1 Å²	43.1	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	116.2	-167.1	-49.6	173	0	0	0	108.9	I2193 E2197 K2198 Y2199 I2201 L2222 Y2223 D2224 L2229 Y2232 I2255	I2193-I2195 HydrophobicContact CB-CD1 4.17Å; I2193-I2195 HydrophobicContact CB-CG1 4.34Å; I2193-I2195 HydrophobicContact CG2-CD1 4.11Å; I2193-I2195 HydrophobicContact CG2-CG1 3.89Å; I2193-I2195 WeakPolarHBondContact O-CG1 2.85Å; I2195-E2197 VanDerWaalsContact C-N 3.26Å; I2195-E2197 WeakPolarHBondContact CG2-O 3.23Å; I2195-E2197 PolarHBondContact O-N 2.98Å; I2195-K2198 PolarHBondContact O-N 3.01Å; I2195-Y2199 HydrophobicContact CB-CD2 4.44Å; I2195-Y2199 HydrophobicContact CB-CE2 4.37Å; I2195-Y2199 HydrophobicContact CG2-CD1 4.47Å; I2195-Y2199 HydrophobicContact CG2-CD2 3.46Å; I2195-Y2199 HydrophobicContact CG2-CE2 3.81Å; I2195-Y2199 VanDerWaalsContact CG2-CE2 3.47Å; I2195-Y2199 HydrophobicContact CG2-CG 4.12Å; I2195-Y2199 PolarHBondContact N-O 2.84Å; I2195-Y2199 PolarHBondContact O-N 2.87Å; I2195-I2201 HydrophobicContact CD1-CD1 3.79Å; I2195-I2201 HydrophobicContact CD1-CG1 4.28Å; I2195-I2201 HydrophobicContact CG1-CD1 4.26Å; I2195-L2222 HydrophobicContact CD1-CB 4.03Å; I2195-L2222 HydrophobicContact CD1-CD2 3.61Å; I2195-L2222 HydrophobicContact CD1-CG 4.03Å; I2195-Y2223 PolarHBondContact N-O 2.95Å; I2195-D2224 WeakPolarHBondContact O-CA 3.11Å; I2195-D2224 VanDerWaalsContact O-CG 3.23Å; I2195-L2229 HydrophobicContact CG2-CD2 4.39Å; I2195-Y2232 WeakPolarHBondContact CD1-OH 3.36Å; I2195-Y2232 WeakPolarHBondContact CG2-OH 3.41Å; I2195-I2255 HydrophobicContact CD1-CD1 3.55Å
2196	D	44.3	Very low	45.1	Very low	40.8 Å²	40.8	42.8 Å²	42.8	22%	0.218	21%	0.208	C	C	.	.	S	Bend	trans	-94.3	-3.2	-178.4	-71.7	-26.7	0	0	0	114	N2175 N2176 N2194 K2198 K2225 Q2226 K2228	N2175-D2196 VanDerWaalsContact C-OD1 3.3Å; N2175-D2196 WeakPolarHBondContact CA-OD1 3.49Å; N2175-D2196 VanDerWaalsContact CB-OD1 3.31Å; N2175-D2196 WeakPolarHBondContact CB-OD1 3.35Å; N2175-D2196 PolarHBondContact ND2-OD2 3.15Å; N2176-D2196 PolarHBondContact N-OD1 3.4Å; N2176-D2196 PolarHBondContact O-N 2.83Å; N2194-D2196 PolarHBondContact ND2-OD1 2.72Å; D2196-K2198 PolarHBondContact O-N 3.34Å; D2196-K2225 IonicContact OD1-NZ 3.1Å; D2196-K2225 IonicContact OD2-NZ 3.9Å; D2196-K2225 PolarHBondContact OD2-NZ 3.44Å; D2196-Q2226 PolarHBondContact O-NE2 2.69Å; D2196-Q2226 VanDerWaalsContact O-NE2 3.16Å; D2196-Q2226 PolarHBondContact O-OE1 2.7Å; D2196-Q2226 PolarHBondContact OD1-NE2 2.92Å; D2196-K2228 WeakPolarHBondContact O-CD 3.37Å; D2196-K2228 PolarHBondContact O-NZ 2.9Å
2197	E	45.2	Very low	45.2	Very low	76.2 Å²	76.2	42.3 Å²	42.3	36%	0.356	20%	0.202	S	C	.	.	S	Bend	trans	-154.3	-148.7	-176.7	-65.3	-157	149	0	0	113.7	N2170 I2195 Y2199 K2228	N2170-E2197 WeakPolarHBondContact CA-OE2 3.31Å; N2170-E2197 VanDerWaalsContact CG-OE1 3.27Å; N2170-E2197 PolarHBondContact N-OE2 2.85Å; N2170-E2197 PolarHBondContact ND2-OE1 2.92Å; N2170-E2197 PolarHBondContact ND2-OE2 2.89Å; N2170-E2197 VanDerWaalsContact ND2-OE2 3.16Å; N2170-E2197 PolarHBondContact OD1-OE1 2.88Å; N2170-E2197 PolarHBondContact OD1-OE2 2.99Å; I2195-E2197 VanDerWaalsContact C-N 3.26Å; I2195-E2197 WeakPolarHBondContact CG2-O 3.23Å; I2195-E2197 PolarHBondContact O-N 2.98Å; E2197-Y2199 VanDerWaalsContact C-CE2 3.42Å; E2197-Y2199 HydrophobicContact CB-CE2 4.16Å; E2197-Y2199 WeakPolarHBondContact O-CD2 3.23Å; E2197-Y2199 WeakPolarHBondContact O-CE2 3.23Å; E2197-Y2199 PolarHBondContact O-N 3.01Å; E2197-K2228 IonicContact OE1-NZ 3.99Å; E2197-K2228 PolarHBondContact OE1-NZ 3.01Å
2198	K	42.3	Very low	45.2	Very low	109.4 Å²	109.4	41.2 Å²	41.2	48%	0.476	20%	0.196	S	C	.	.			trans	-84.2	112.6	-177.8	-69.4	-179.9	-177.7	174.5	0	112.3	S2174 N2175 I2195 D2196 D2224 K2225 G2230 N2257	S2174-K2198 WeakPolarHBondContact CA-O 3.26Å; S2174-K2198 VanDerWaalsContact CB-O 3.27Å; S2174-K2198 WeakPolarHBondContact CB-O 3.4Å; N2175-K2198 PolarHBondContact N-O 2.76Å; I2195-K2198 PolarHBondContact O-N 3.01Å; D2196-K2198 PolarHBondContact O-N 3.34Å; K2198-D2224 CarbonylContact O-C 3.53Å; K2198-D2224 WeakPolarHBondContact O-CA 3.39Å; K2198-K2225 WeakPolarHBondContact O-CA 3.05Å; K2198-K2225 PolarHBondContact O-N 3.39Å; K2198-G2230 WeakPolarHBondContact CE-O 3.47Å; K2198-G2230 PolarHBondContact NZ-O 2.92Å; K2198-N2257 HydrophobicContact CD-CB 4.31Å; K2198-N2257 WeakPolarHBondContact CE-O 3.23Å; K2198-N2257 HydrophobicContact CG-CB 3.43Å; K2198-N2257 VanDerWaalsContact CG-CB 3.43Å
2199	Y	43.7	Very low	45.1	Very low	18.8 Å²	18.8	40.7 Å²	40.7	7%	0.074	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148	-179.2	-58.5	-84.8	0	0	0	113.6	H2167 K2169 N2175 I2177 N2194 I2195 E2197 Y2223 D2224 L2229 Y2232 I2255	H2167-Y2199 HydrophobicContact CB-CE1 4Å; H2167-Y2199 AromaticContact CD2-CE1 3.62Å; H2167-Y2199 AromaticContact CE1-CE1 3.7Å; H2167-Y2199 AromaticContact CE1-CZ 3.81Å; H2167-Y2199 PolarHBondContact CE1-OH 3.44Å; H2167-Y2199 VanDerWaalsContact CE1-OH 3.23Å; H2167-Y2199 AromaticContact CG-CE1 3.71Å; H2167-Y2199 VanDerWaalsContact CG-CE1 3.42Å; H2167-Y2199 AromaticContact CG-CZ 3.72Å; H2167-Y2199 AromaticContact ND1-CE1 3.62Å; H2167-Y2199 WeakPolarHBondContact ND1-CE1 3.18Å; H2167-Y2199 AromaticContact ND1-CZ 3.57Å; H2167-Y2199 PolarHBondContact ND1-OH 3.4Å; H2167-Y2199 AromaticContact NE2-CE1 3.71Å; K2169-Y2199 PolarHBondContact O-OH 3.25Å; N2175-Y2199 HydrophobicContact CB-CD1 3.95Å; N2175-Y2199 HydrophobicContact CB-CE1 4.06Å; N2175-Y2199 WeakPolarHBondContact O-CA 3.41Å; I2177-Y2199 HydrophobicContact CD1-CD1 3.98Å; I2177-Y2199 HydrophobicContact CD1-CE1 4.49Å; I2177-Y2199 HydrophobicContact CD1-CG 4.2Å; I2177-Y2199 HydrophobicContact CG1-CD1 4.42Å; N2194-Y2199 CarbonylContact C-O 3.48Å; I2195-Y2199 HydrophobicContact CB-CD2 4.44Å; I2195-Y2199 HydrophobicContact CB-CE2 4.37Å; I2195-Y2199 HydrophobicContact CG2-CD1 4.47Å; I2195-Y2199 HydrophobicContact CG2-CD2 3.46Å; I2195-Y2199 HydrophobicContact CG2-CE2 3.81Å; I2195-Y2199 VanDerWaalsContact CG2-CE2 3.47Å; I2195-Y2199 HydrophobicContact CG2-CG 4.12Å; I2195-Y2199 PolarHBondContact N-O 2.84Å; I2195-Y2199 PolarHBondContact O-N 2.87Å; E2197-Y2199 VanDerWaalsContact C-CE2 3.42Å; E2197-Y2199 HydrophobicContact CB-CE2 4.16Å; E2197-Y2199 WeakPolarHBondContact O-CD2 3.23Å; E2197-Y2199 WeakPolarHBondContact O-CE2 3.23Å; E2197-Y2199 PolarHBondContact O-N 3.01Å; Y2199-Y2223 CarbonylContact C-O 3.54Å; Y2199-Y2223 VanDerWaalsContact CA-O 3.27Å; Y2199-Y2223 WeakPolarHBondContact CA-O 3.4Å; Y2199-D2224 HydrophobicContact CD1-CB 3.9Å; Y2199-D2224 HydrophobicContact CE1-CB 3.79Å; Y2199-L2229 HydrophobicContact CD1-CD1 4.38Å; Y2199-L2229 HydrophobicContact CE1-CD1 4.25Å; Y2199-Y2232 VanDerWaalsContact O-O 3.13Å; Y2199-I2255 PolarHBondContact O-N 3.31Å
2200	K	42.8	Very low	44.8	Very low	71.6 Å²	71.6	43.5 Å²	43.5	31%	0.311	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.9	162.8	-68.7	-175.9	177.4	-177	0	108.9	F1457 I2153 N2175 I2177 L2192 I2193 N2194 L2222 Y2223 Y2232 Y2252 Y2254	F1457-K2200 VanDerWaalsContact CD2-NZ 3.26Å; F1457-K2200 HydrophobicContact CE1-CD 4.32Å; F1457-K2200 HydrophobicContact CE2-CD 4.29Å; F1457-K2200 HydrophobicContact CZ-CD 4.03Å; I2153-K2200 HydrophobicContact CD1-CB 3.56Å; N2175-K2200 PolarHBondContact N-O 2.87Å; N2175-K2200 PolarHBondContact O-N 3.09Å; N2175-K2200 VanDerWaalsContact O-O 3.12Å; I2177-K2200 WeakPolarHBondContact CB-O 3.31Å; I2177-K2200 PolarHBondContact N-O 2.81Å; L2192-K2200 HydrophobicContact CD1-CB 4.19Å; I2193-K2200 CarbonylContact O-C 3.6Å; I2193-K2200 WeakPolarHBondContact O-CA 3.47Å; N2194-K2200 VanDerWaalsContact OD1-CD 3.29Å; N2194-K2200 WeakPolarHBondContact OD1-CD 3.34Å; N2194-K2200 VanDerWaalsContact OD1-CG 3.26Å; N2194-K2200 WeakPolarHBondContact OD1-CG 3.43Å; K2200-L2222 CarbonylContact O-C 3.54Å; K2200-Y2223 PolarHBondContact N-O 2.85Å; K2200-Y2223 PolarHBondContact O-N 3.44Å; K2200-Y2232 HydrophobicContact CG-CD1 4.17Å; K2200-Y2232 HydrophobicContact CG-CG 4.36Å; K2200-Y2252 WeakPolarHBondContact CD-OH 3.39Å; K2200-Y2254 HydrophobicContact CB-CD2 4.43Å; K2200-Y2254 HydrophobicContact CD-CD2 4.15Å; K2200-Y2254 HydrophobicContact CD-CE2 4.17Å; K2200-Y2254 VanDerWaalsContact CE-CE2 3.45Å; K2200-Y2254 HydrophobicContact CG-CD2 3.26Å; K2200-Y2254 HydrophobicContact CG-CE2 3.61Å; K2200-Y2254 HydrophobicContact CG-CG 4.34Å
2201	I	43.5	Very low	44.3	Very low	8.8 Å²	8.8	48.3 Å²	48.3	5%	0.045	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.2	174.1	-52	175.3	0	0	0	108.3	I2177 L2192 I2193 I2195 F2203 V2220 S2221 L2222 Y2232 L2253 L2268	I2177-I2201 HydrophobicContact CD1-CG2 4.15Å; I2177-I2201 HydrophobicContact CG1-CG2 4.41Å; L2192-I2201 WeakPolarHBondContact CA-O 3.46Å; I2193-I2201 HydrophobicContact CB-CB 4.22Å; I2193-I2201 HydrophobicContact CD1-CD1 4.11Å; I2193-I2201 HydrophobicContact CD1-CG2 4.3Å; I2193-I2201 HydrophobicContact CG2-CD1 4.28Å; I2193-I2201 PolarHBondContact N-O 3.17Å; I2193-I2201 PolarHBondContact O-N 3.32Å; I2195-I2201 HydrophobicContact CD1-CD1 3.79Å; I2195-I2201 HydrophobicContact CD1-CG1 4.28Å; I2195-I2201 HydrophobicContact CG1-CD1 4.26Å; I2201-F2203 HydrophobicContact CB-CD2 4.32Å; I2201-F2203 HydrophobicContact CB-CE2 4.09Å; I2201-F2203 HydrophobicContact CB-CZ 4.49Å; I2201-F2203 HydrophobicContact CD1-CE2 4.16Å; I2201-F2203 HydrophobicContact CG2-CB 4.39Å; I2201-F2203 HydrophobicContact CG2-CD2 3.65Å; I2201-F2203 HydrophobicContact CG2-CE1 4.18Å; I2201-F2203 HydrophobicContact CG2-CE2 3.34Å; I2201-F2203 HydrophobicContact CG2-CG 4.25Å; I2201-F2203 HydrophobicContact CG2-CZ 3.72Å; I2201-V2220 HydrophobicContact CG2-CG1 3.93Å; I2201-S2221 CarbonylContact C-O 3.56Å; I2201-S2221 WeakPolarHBondContact CA-O 3.43Å; I2201-L2222 HydrophobicContact CD1-CD1 4.31Å; I2201-L2222 HydrophobicContact CD1-CD2 3.71Å; I2201-L2222 HydrophobicContact CG1-CD1 3.85Å; I2201-Y2232 HydrophobicContact CD1-CE1 3.76Å; I2201-Y2232 HydrophobicContact CG1-CE1 4.11Å; I2201-L2253 HydrophobicContact CD1-CD1 3.81Å; I2201-L2253 PolarHBondContact N-O 2.9Å; I2201-L2253 PolarHBondContact O-N 3.17Å; I2201-L2268 HydrophobicContact CD1-CD2 4.44Å
2202	F	44.2	Very low	43.8	Very low	74.8 Å²	74.8	50.4 Å²	50.4	33%	0.328	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.8	167.8	-100.8	-90.6	0	0	0	108.8	N2175 N2176 I2177 L2179 L2182 I2191 L2192 E2204 S2221 Y2223 I2235 Y2252	N2175-F2202 PolarHBondContact O-N 3.17Å; N2175-F2202 VanDerWaalsContact O-N 3.11Å; N2176-F2202 HydrophobicContact CB-CB 4.5Å; N2176-F2202 WeakPolarHBondContact OD1-CD2 3.41Å; I2177-F2202 CarbonylContact C-O 3.59Å; I2177-F2202 WeakPolarHBondContact CA-O 3.44Å; I2177-F2202 PolarHBondContact N-O 3.05Å; I2177-F2202 CarbonylContact O-C 3.59Å; I2177-F2202 PolarHBondContact O-N 2.83Å; L2179-F2202 PolarHBondContact N-O 2.82Å; L2182-F2202 HydrophobicContact CD1-CD2 4.23Å; L2182-F2202 HydrophobicContact CD1-CE2 3.82Å; I2191-F2202 WeakPolarHBondContact O-CA 3.35Å; L2192-F2202 HydrophobicContact CB-CD2 4.47Å; L2192-F2202 HydrophobicContact CD1-CB 4.04Å; L2192-F2202 HydrophobicContact CD1-CD2 4.08Å; F2202-E2204 HydrophobicContact CD1-CB 4.46Å; F2202-E2204 HydrophobicContact CE1-CB 3.76Å; F2202-E2204 HydrophobicContact CZ-CB 4.27Å; F2202-S2221 PolarHBondContact N-O 3.49Å; F2202-S2221 PolarHBondContact O-N 3.06Å; F2202-S2221 PolarHBondContact O-OG 3.4Å; F2202-Y2223 HydrophobicContact CB-CE2 4.05Å; F2202-I2235 HydrophobicContact CD1-CB 4.14Å; F2202-I2235 HydrophobicContact CD1-CG2 4.24Å; F2202-I2235 HydrophobicContact CE1-CB 4.16Å; F2202-I2235 HydrophobicContact CE1-CD1 3.9Å; F2202-I2235 HydrophobicContact CE1-CG1 4.3Å; F2202-I2235 HydrophobicContact CE1-CG2 3.84Å; F2202-I2235 HydrophobicContact CE2-CD1 4.02Å; F2202-I2235 HydrophobicContact CZ-CB 4.29Å; F2202-I2235 HydrophobicContact CZ-CD1 3.8Å; F2202-I2235 HydrophobicContact CZ-CG1 4.35Å; F2202-Y2252 AromaticContact CD1-CD2 3.75Å; F2202-Y2252 HydrophobicContact CD1-CD2 3.75Å; F2202-Y2252 HydrophobicContact CD1-CG 4.45Å; F2202-Y2252 AromaticContact CD2-CD2 3.45Å; F2202-Y2252 HydrophobicContact CD2-CD2 3.45Å; F2202-Y2252 VanDerWaalsContact CD2-CD2 3.45Å; F2202-Y2252 AromaticContact CD2-CE2 3.63Å; F2202-Y2252 HydrophobicContact CD2-CE2 3.63Å; F2202-Y2252 AromaticContact CE1-CD2 3.43Å; F2202-Y2252 HydrophobicContact CE1-CD2 3.43Å; F2202-Y2252 VanDerWaalsContact CE1-CD2 3.43Å; F2202-Y2252 HydrophobicContact CE1-CE2 4.28Å; F2202-Y2252 AromaticContact CE1-CG 3.99Å; F2202-Y2252 HydrophobicContact CE1-CG 3.99Å; F2202-Y2252 AromaticContact CE2-CD2 3.12Å; F2202-Y2252 HydrophobicContact CE2-CD2 3.12Å; F2202-Y2252 AromaticContact CE2-CE2 3.13Å; F2202-Y2252 HydrophobicContact CE2-CE2 3.13Å; F2202-Y2252 HydrophobicContact CE2-CG 4.31Å; F2202-Y2252 AromaticContact CG-CD2 3.76Å; F2202-Y2252 HydrophobicContact CG-CD2 3.76Å; F2202-Y2252 HydrophobicContact CG-CE2 4.39Å; F2202-Y2252 AromaticContact CZ-CD2 3.1Å; F2202-Y2252 HydrophobicContact CZ-CD2 3.1Å; F2202-Y2252 AromaticContact CZ-CE2 3.51Å; F2202-Y2252 HydrophobicContact CZ-CE2 3.51Å; F2202-Y2252 AromaticContact CZ-CG 3.91Å; F2202-Y2252 HydrophobicContact CZ-CG 3.91Å
2203	F	45.9	Very low	43.3	Very low	15.2 Å²	15.2	52.6 Å²	52.6	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.5	174.9	-97.6	-82	0	0	0	109.6	I2177 L2179 S2190 I2191 I2193 I2201 I2205 N2219 V2220 L2222 I2235 I2236 E2237 L2249 K2250 N2251 L2253 L2268 I2270	I2177-F2203 HydrophobicContact CB-CD1 4.26Å; I2177-F2203 HydrophobicContact CB-CD2 4.45Å; I2177-F2203 HydrophobicContact CB-CE1 4Å; I2177-F2203 HydrophobicContact CD1-CE1 4.04Å; I2177-F2203 HydrophobicContact CD1-CZ 4.04Å; I2177-F2203 HydrophobicContact CG2-CD1 4.23Å; I2177-F2203 HydrophobicContact CG2-CD2 4.29Å; I2177-F2203 HydrophobicContact CG2-CE1 3.89Å; I2177-F2203 HydrophobicContact CG2-CE2 4.5Å; I2177-F2203 WeakPolarHBondContact O-CA 3.28Å; L2179-F2203 HydrophobicContact CB-CD1 3.97Å; L2179-F2203 HydrophobicContact CB-CE1 3.67Å; L2179-F2203 HydrophobicContact CB-CZ 4.24Å; L2179-F2203 HydrophobicContact CD1-CD1 4.47Å; L2179-F2203 HydrophobicContact CD1-CD2 4.41Å; L2179-F2203 HydrophobicContact CD1-CE1 3.57Å; L2179-F2203 HydrophobicContact CD1-CE2 3.76Å; L2179-F2203 HydrophobicContact CD1-CZ 3.44Å; L2179-F2203 HydrophobicContact CG-CE1 4.25Å; L2179-F2203 HydrophobicContact CG-CZ 4.38Å; S2190-F2203 VanDerWaalsContact CA-O 3.26Å; S2190-F2203 WeakPolarHBondContact CA-O 3.45Å; I2191-F2203 HydrophobicContact CB-CB 4.28Å; I2191-F2203 HydrophobicContact CD1-CE1 3.52Å; I2191-F2203 HydrophobicContact CD1-CE2 4.29Å; I2191-F2203 HydrophobicContact CD1-CZ 3.85Å; I2191-F2203 HydrophobicContact CG2-CZ 3.91Å; I2191-F2203 PolarHBondContact N-O 3.41Å; I2191-F2203 PolarHBondContact O-N 3.37Å; I2193-F2203 HydrophobicContact CB-CZ 4.39Å; I2193-F2203 HydrophobicContact CD1-CD2 4.4Å; I2193-F2203 HydrophobicContact CD1-CE1 3.58Å; I2193-F2203 HydrophobicContact CD1-CE2 3.83Å; I2193-F2203 VanDerWaalsContact CD1-CE2 3.48Å; I2193-F2203 HydrophobicContact CD1-CZ 3.52Å; I2193-F2203 HydrophobicContact CG1-CD2 4.42Å; I2193-F2203 HydrophobicContact CG1-CE1 3.98Å; I2193-F2203 HydrophobicContact CG1-CE2 4.24Å; I2193-F2203 HydrophobicContact CG1-CZ 3.43Å; I2193-F2203 VanDerWaalsContact CG1-CZ 3.43Å; I2193-F2203 HydrophobicContact CG2-CZ 4.3Å; I2201-F2203 HydrophobicContact CB-CD2 4.32Å; I2201-F2203 HydrophobicContact CB-CE2 4.09Å; I2201-F2203 HydrophobicContact CB-CZ 4.49Å; I2201-F2203 HydrophobicContact CD1-CE2 4.16Å; I2201-F2203 HydrophobicContact CG2-CB 4.39Å; I2201-F2203 HydrophobicContact CG2-CD2 3.65Å; I2201-F2203 HydrophobicContact CG2-CE1 4.18Å; I2201-F2203 HydrophobicContact CG2-CE2 3.34Å; I2201-F2203 HydrophobicContact CG2-CG 4.25Å; I2201-F2203 HydrophobicContact CG2-CZ 3.72Å; F2203-I2205 HydrophobicContact CD1-CG1 4.22Å; F2203-I2205 HydrophobicContact CE1-CD1 3.97Å; F2203-I2205 HydrophobicContact CE1-CG1 3.7Å; F2203-N2219 WeakPolarHBondContact CA-O 3.49Å; F2203-V2220 HydrophobicContact CD1-CB 4.29Å; F2203-V2220 HydrophobicContact CD1-CG1 3.96Å; F2203-V2220 HydrophobicContact CD1-CG2 3.62Å; F2203-V2220 HydrophobicContact CE1-CB 4.11Å; F2203-V2220 HydrophobicContact CE1-CG1 3.88Å; F2203-V2220 VanDerWaalsContact CE1-CG1 3.46Å; F2203-V2220 HydrophobicContact CE1-CG2 4.17Å; F2203-V2220 HydrophobicContact CE2-CG1 4.16Å; F2203-V2220 HydrophobicContact CZ-CG1 3.6Å; F2203-V2220 VanDerWaalsContact CZ-CG1 3.44Å; F2203-V2220 HydrophobicContact CZ-CG2 4.2Å; F2203-L2222 HydrophobicContact CE2-CD2 4.25Å; F2203-I2235 PolarHBondContact N-O 2.97Å; F2203-I2235 VanDerWaalsContact N-O 3.14Å; F2203-I2236 HydrophobicContact CB-CG1 4.44Å; F2203-E2237 PolarHBondContact O-N 3.26Å; F2203-L2249 HydrophobicContact CD1-CD1 4.41Å; F2203-L2249 HydrophobicContact CE1-CD1 4.32Å; F2203-K2250 CarbonylContact O-C 3.57Å; F2203-K2250 WeakPolarHBondContact O-CA 3.5Å; F2203-N2251 HydrophobicContact CB-CB 4.19Å; F2203-N2251 PolarHBondContact N-O 3.27Å; F2203-N2251 PolarHBondContact O-N 2.82Å; F2203-L2253 HydrophobicContact CD2-CD1 4.04Å; F2203-L2253 HydrophobicContact CE2-CD1 4.38Å; F2203-L2268 HydrophobicContact CZ-CD2 3.94Å; F2203-I2270 HydrophobicContact CD1-CD1 4.25Å; F2203-I2270 HydrophobicContact CD2-CD1 4.41Å; F2203-I2270 HydrophobicContact CE1-CD1 3.49Å; F2203-I2270 VanDerWaalsContact CE1-CD1 3.49Å; F2203-I2270 HydrophobicContact CE2-CD1 3.67Å; F2203-I2270 HydrophobicContact CZ-CD1 3.18Å
2204	E	43.6	Very low	42.8	Very low	48.8 Å²	48.8	57.7 Å²	57.7	23%	0.228	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.2	173.8	-170.7	-174.4	-179.2	0	0	109.9	I2177 E2178 L2179 T2180 F2202 K2206 N2219 E2237 N2239 Q2248 L2249 K2250	I2177-E2204 PolarHBondContact O-N 2.98Å; E2178-E2204 HydrophobicContact CB-CB 4.48Å; E2178-E2204 HydrophobicContact CG-CB 4.05Å; L2179-E2204 CarbonylContact C-O 3.57Å; L2179-E2204 WeakPolarHBondContact CA-O 3.26Å; L2179-E2204 PolarHBondContact N-O 3.13Å; L2179-E2204 PolarHBondContact O-N 2.96Å; L2179-E2204 VanDerWaalsContact O-O 3.05Å; T2180-E2204 WeakPolarHBondContact CA-O 3.28Å; T2180-E2204 HydrophobicContact CG2-CB 4.31Å; F2202-E2204 HydrophobicContact CD1-CB 4.46Å; F2202-E2204 HydrophobicContact CE1-CB 3.76Å; F2202-E2204 HydrophobicContact CZ-CB 4.27Å; E2204-K2206 HydrophobicContact CG-CD 4.37Å; E2204-K2206 HydrophobicContact CG-CG 4.14Å; E2204-K2206 VanDerWaalsContact OE1-CE 3.26Å; E2204-K2206 WeakPolarHBondContact OE1-CE 3.31Å; E2204-K2206 WeakPolarHBondContact OE1-CG 3.47Å; E2204-K2206 IonicContact OE1-NZ 2.74Å; E2204-K2206 PolarHBondContact OE1-NZ 2.95Å; E2204-K2206 WeakPolarHBondContact OE2-CE 3.35Å; E2204-K2206 IonicContact OE2-NZ 2.81Å; E2204-K2206 PolarHBondContact OE2-NZ 3Å; E2204-N2219 HydrophobicContact CB-CB 4.25Å; E2204-N2219 PolarHBondContact N-O 3Å; E2204-N2219 PolarHBondContact O-N 3.29Å; E2204-N2219 PolarHBondContact OE2-ND2 3.36Å; E2204-N2219 VanDerWaalsContact OE2-ND2 3.1Å; E2204-E2237 HydrophobicContact CG-CB 4.46Å; E2204-N2239 PolarHBondContact OE1-ND2 3.04Å; E2204-N2239 VanDerWaalsContact OE1-ND2 3.08Å; E2204-Q2248 HydrophobicContact CG-CG 4.4Å; E2204-Q2248 PolarHBondContact OE1-NE2 2.75Å; E2204-L2249 CarbonylContact C-O 3.59Å; E2204-L2249 WeakPolarHBondContact CA-O 3.38Å; E2204-K2250 HydrophobicContact CG-CG 4.1Å
2205	I	47.8	Very low	42.5	Very low	15.8 Å²	15.8	59.7 Å²	59.7	8%	0.081	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	106.5	173.1	-54.3	177.8	0	0	0	108.3	L2179 L2181 N2188 L2189 I2191 F2203 I2208 F2217 I2218 V2220 E2237 N2239 Y2247 Q2248 L2249 L2272	L2179-I2205 WeakPolarHBondContact O-CA 3.42Å; L2181-I2205 HydrophobicContact CD1-CG2 4.34Å; N2188-I2205 WeakPolarHBondContact CA-O 3.32Å; L2189-I2205 HydrophobicContact CB-CB 4.45Å; L2189-I2205 HydrophobicContact CD2-CD1 4.38Å; L2189-I2205 HydrophobicContact CD2-CG2 4.32Å; L2189-I2205 PolarHBondContact N-O 3.46Å; L2189-I2205 PolarHBondContact O-N 3.38Å; I2191-I2205 HydrophobicContact CD1-CD1 3.51Å; I2191-I2205 HydrophobicContact CD1-CG1 4.1Å; F2203-I2205 HydrophobicContact CD1-CG1 4.22Å; F2203-I2205 HydrophobicContact CE1-CD1 3.97Å; F2203-I2205 HydrophobicContact CE1-CG1 3.7Å; I2205-I2208 HydrophobicContact CG2-CD1 4.06Å; I2205-I2208 HydrophobicContact CG2-CG1 3.69Å; I2205-F2217 CarbonylContact C-O 3.5Å; I2205-F2217 WeakPolarHBondContact CA-O 3.45Å; I2205-I2218 HydrophobicContact CD1-CD1 4.23Å; I2205-I2218 HydrophobicContact CD1-CG2 3.77Å; I2205-I2218 HydrophobicContact CG1-CD1 4.49Å; I2205-I2218 HydrophobicContact CG1-CG1 4.11Å; I2205-I2218 HydrophobicContact CG1-CG2 3.99Å; I2205-I2218 HydrophobicContact CG2-CD1 4.22Å; I2205-I2218 HydrophobicContact CG2-CG1 4.36Å; I2205-V2220 HydrophobicContact CD1-CG2 3.81Å; I2205-E2237 PolarHBondContact N-O 3.11Å; I2205-N2239 PolarHBondContact O-N 3.27Å; I2205-Y2247 HydrophobicContact CG2-CE1 4.35Å; I2205-Q2248 WeakPolarHBondContact O-CA 3.27Å; I2205-L2249 HydrophobicContact CB-CB 4.4Å; I2205-L2249 HydrophobicContact CB-CD2 4.33Å; I2205-L2249 HydrophobicContact CD1-CD2 4.11Å; I2205-L2249 HydrophobicContact CG1-CD2 4.23Å; I2205-L2249 PolarHBondContact N-O 2.87Å; I2205-L2249 PolarHBondContact O-N 2.82Å; I2205-L2272 HydrophobicContact CD1-CD1 3.61Å
2206	K	43.1	Very low	42.3	Very low	83.6 Å²	83.6	60.3 Å²	60.3	36%	0.363	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	8.6	-178.8	-89.3	179.3	177.2	167.6	0	112.6	E2178 L2179 T2180 L2181 E2204 F2217 I2246 Y2247	E2178-K2206 IonicContact OE1-NZ 3.41Å; E2178-K2206 PolarHBondContact OE1-NZ 3.44Å; E2178-K2206 IonicContact OE2-NZ 3.94Å; E2178-K2206 PolarHBondContact OE2-NZ 2.84Å; L2179-K2206 PolarHBondContact O-N 2.94Å; L2179-K2206 VanDerWaalsContact O-N 3.13Å; T2180-K2206 HydrophobicContact CG2-CB 4.35Å; T2180-K2206 HydrophobicContact CG2-CD 4.21Å; L2181-K2206 CarbonylContact C-O 3.52Å; L2181-K2206 PolarHBondContact N-O 2.92Å; L2181-K2206 VanDerWaalsContact N-O 3.16Å; E2204-K2206 HydrophobicContact CG-CD 4.37Å; E2204-K2206 HydrophobicContact CG-CG 4.14Å; E2204-K2206 VanDerWaalsContact OE1-CE 3.26Å; E2204-K2206 WeakPolarHBondContact OE1-CE 3.31Å; E2204-K2206 WeakPolarHBondContact OE1-CG 3.47Å; E2204-K2206 IonicContact OE1-NZ 2.74Å; E2204-K2206 PolarHBondContact OE1-NZ 2.95Å; E2204-K2206 WeakPolarHBondContact OE2-CE 3.35Å; E2204-K2206 IonicContact OE2-NZ 2.81Å; E2204-K2206 PolarHBondContact OE2-NZ 3Å; K2206-F2217 HydrophobicContact CB-CB 4.5Å; K2206-F2217 PolarHBondContact N-O 3.12Å; K2206-F2217 PolarHBondContact O-N 3.17Å; K2206-I2246 HydrophobicContact CG-CG2 4.35Å; K2206-Y2247 WeakPolarHBondContact CA-O 3.31Å
2207	K	43.4	Very low	42.3	Very low	73.4 Å²	73.4	61.1 Å²	61.1	32%	0.319	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129.3	178.6	-169.3	172.1	-177.1	177.1	0	110.7	L2181 N2187 I2209 F2214 H2216 I2218 Y2247	L2181-K2207 PolarHBondContact N-O 2.6Å; L2181-K2207 VanDerWaalsContact N-O 3.16Å; N2187-K2207 HydrophobicContact CB-CB 4.16Å; N2187-K2207 WeakPolarHBondContact O-CB 3.25Å; N2187-K2207 PolarHBondContact O-N 3.45Å; K2207-I2209 HydrophobicContact CD-CD1 4.21Å; K2207-I2209 HydrophobicContact CD-CG1 4.15Å; K2207-I2209 HydrophobicContact CG-CG1 4.16Å; K2207-F2214 VanDerWaalsContact CE-CE1 3.45Å; K2207-H2216 VanDerWaalsContact CD-CE1 3.49Å; K2207-H2216 WeakPolarHBondContact CD-CE1 3.5Å; K2207-H2216 WeakPolarHBondContact CE-ND1 3.49Å; K2207-H2216 VanDerWaalsContact CG-CE1 3.46Å; K2207-H2216 WeakPolarHBondContact CG-CE1 3.33Å; K2207-H2216 PolarHBondContact NZ-ND1 2.93Å; K2207-H2216 VanDerWaalsContact NZ-ND1 3.12Å; K2207-I2218 HydrophobicContact CB-CD1 4.45Å; K2207-I2218 HydrophobicContact CD-CD1 4.17Å; K2207-I2218 HydrophobicContact CD-CG1 4.28Å; K2207-Y2247 PolarHBondContact N-O 2.78Å; K2207-Y2247 PolarHBondContact O-N 2.93Å
2208	I	45.4	Very low	42.4	Very low	43.6 Å²	43.6	58 Å²	58	22%	0.224	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.3	169.8	-53.5	179	0	0	0	107.6	L2181 L2182 I2205 I2210 N2215 F2217 I2218 L2241 I2246	L2181-I2208 WeakPolarHBondContact O-CA 3.49Å; L2182-I2208 HydrophobicContact CD2-CD1 3.48Å; L2182-I2208 VanDerWaalsContact CD2-CD1 3.48Å; L2182-I2208 HydrophobicContact CD2-CG1 4.17Å; I2205-I2208 HydrophobicContact CG2-CD1 4.06Å; I2205-I2208 HydrophobicContact CG2-CG1 3.69Å; I2208-I2210 HydrophobicContact CG2-CD1 4.18Å; I2208-I2210 HydrophobicContact CG2-CG1 3.96Å; I2208-N2215 PolarHBondContact N-O 3.27Å; I2208-N2215 PolarHBondContact O-N 3.21Å; I2208-N2215 VanDerWaalsContact O-N 3.14Å; I2208-N2215 VanDerWaalsContact O-O 3.04Å; I2208-F2217 HydrophobicContact CB-CD2 4.2Å; I2208-F2217 HydrophobicContact CB-CE2 4.01Å; I2208-F2217 HydrophobicContact CD1-CD2 3.64Å; I2208-F2217 HydrophobicContact CD1-CE2 3.7Å; I2208-F2217 HydrophobicContact CG1-CD2 3.8Å; I2208-F2217 HydrophobicContact CG1-CE2 4.01Å; I2208-I2218 HydrophobicContact CD1-CD1 3.75Å; I2208-L2241 HydrophobicContact CB-CD2 4.14Å; I2208-L2241 HydrophobicContact CD1-CD2 4.23Å; I2208-L2241 HydrophobicContact CG2-CD2 4.33Å; I2208-I2246 HydrophobicContact CG2-CG1 4.45Å
2209	I	42.2	Very low	42.6	Very low	50.8 Å²	50.8	55.4 Å²	55.4	26%	0.261	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.4	175.4	-54.7	-178.4	0	0	0	108.1	L2181 L2182 Q2183 S2184 K2207 N2211 S2212 F2214 H2216 T2245 Y2247 L2272	L2181-I2209 PolarHBondContact O-N 2.69Å; L2182-I2209 WeakPolarHBondContact O-CB 3.45Å; L2182-I2209 VanDerWaalsContact O-CD1 3.23Å; L2182-I2209 WeakPolarHBondContact O-CD1 3.35Å; L2182-I2209 VanDerWaalsContact O-CG1 3.28Å; L2182-I2209 WeakPolarHBondContact O-CG1 3.38Å; Q2183-I2209 HydrophobicContact CG-CD1 3.82Å; Q2183-I2209 HydrophobicContact CG-CG1 4.33Å; S2184-I2209 PolarHBondContact N-O 3.17Å; S2184-I2209 VanDerWaalsContact N-O 3.13Å; K2207-I2209 HydrophobicContact CD-CD1 4.21Å; K2207-I2209 HydrophobicContact CD-CG1 4.15Å; K2207-I2209 HydrophobicContact CG-CG1 4.16Å; I2209-N2211 WeakPolarHBondContact CG2-OD1 3.29Å; I2209-N2211 PolarHBondContact O-N 2.87Å; I2209-S2212 WeakPolarHBondContact CG2-OG 3.39Å; I2209-F2214 HydrophobicContact CD1-CE1 4.06Å; I2209-F2214 HydrophobicContact CG1-CD1 4.03Å; I2209-F2214 HydrophobicContact CG1-CE1 4.06Å; I2209-H2216 HydrophobicContact CD1-CB 4.18Å; I2209-H2216 VanDerWaalsContact CD1-CD2 3.5Å; I2209-H2216 WeakPolarHBondContact CD1-CD2 3.44Å; I2209-T2245 PolarHBondContact N-O 2.95Å; I2209-T2245 PolarHBondContact O-N 3.31Å; I2209-T2245 VanDerWaalsContact O-N 3.15Å; I2209-Y2247 HydrophobicContact CB-CD2 4.28Å; I2209-Y2247 HydrophobicContact CB-CE2 3.88Å; I2209-Y2247 HydrophobicContact CD1-CD2 3.39Å; I2209-Y2247 HydrophobicContact CD1-CE2 3.13Å; I2209-Y2247 HydrophobicContact CD1-CG 4.45Å; I2209-Y2247 HydrophobicContact CG1-CD2 3.62Å; I2209-Y2247 HydrophobicContact CG1-CE2 3.57Å; I2209-L2272 HydrophobicContact CD1-CD1 4.36Å
2210	I	39.2	Very low	42.8	Very low	72.8 Å²	72.8	54.9 Å²	54.9	37%	0.373	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	109.4	178.9	-58	178.1	0	0	0	107.9	I2208 S2212 S2213 H2216 L2241 Q2244 N2274	I2208-I2210 HydrophobicContact CG2-CD1 4.18Å; I2208-I2210 HydrophobicContact CG2-CG1 3.96Å; I2210-S2212 VanDerWaalsContact C-N 3.31Å; I2210-S2212 WeakPolarHBondContact CG2-O 3.2Å; I2210-S2212 PolarHBondContact O-N 3.21Å; I2210-S2212 VanDerWaalsContact O-N 3.09Å; I2210-S2213 PolarHBondContact N-O 3.18Å; I2210-S2213 PolarHBondContact O-N 3.39Å; I2210-S2213 VanDerWaalsContact O-N 3.11Å; I2210-S2213 PolarHBondContact O-OG 3.41Å; I2210-H2216 HydrophobicContact CD1-CB 4.48Å; I2210-H2216 VanDerWaalsContact CG2-CD2 3.49Å; I2210-H2216 WeakPolarHBondContact CG2-CD2 3.27Å; I2210-H2216 WeakPolarHBondContact CG2-NE2 3.31Å; I2210-L2241 HydrophobicContact CD1-CD2 3.74Å; I2210-L2241 HydrophobicContact CG1-CD2 4.44Å; I2210-Q2244 HydrophobicContact CG1-CG 4.47Å; I2210-N2274 HydrophobicContact CD1-CB 4.42Å; I2210-N2274 WeakPolarHBondContact CD1-ND2 3.19Å
2211	N	35.5	Very low	43	Very low	123.2 Å²	123.2	52.2 Å²	52.2	66%	0.659	27%	0.267	S	S	*	.			trans	-55.1	21.5	175.5	-72.1	-7.8	0	0	0	114	Q2183 I2209 S2213	Q2183-N2211 PolarHBondContact NE2-ND2 3.34Å; I2209-N2211 WeakPolarHBondContact CG2-OD1 3.29Å; I2209-N2211 PolarHBondContact O-N 2.87Å; N2211-S2213 PolarHBondContact O-N 3.2Å
2212	S	37.9	Very low	43.2	Very low	51 Å²	51	52.5 Å²	52.5	36%	0.357	27%	0.269	S	S	.	.			trans	-122.6	138.1	-176.8	82.9	0	0	0	0	113.9	I2209 I2210 F2214 H2216	I2209-S2212 WeakPolarHBondContact CG2-OG 3.39Å; I2210-S2212 VanDerWaalsContact C-N 3.31Å; I2210-S2212 WeakPolarHBondContact CG2-O 3.2Å; I2210-S2212 PolarHBondContact O-N 3.21Å; I2210-S2212 VanDerWaalsContact O-N 3.09Å; S2212-F2214 VanDerWaalsContact C-N 3.31Å; S2212-F2214 PolarHBondContact O-N 3.34Å; S2212-F2214 WeakPolarHBondContact OG-CD2 3.31Å; S2212-F2214 PolarHBondContact OG-N 3.09Å; S2212-H2216 VanDerWaalsContact CB-NE2 3.33Å; S2212-H2216 WeakPolarHBondContact CB-NE2 3.19Å; S2212-H2216 PolarHBondContact OG-CE1 2.78Å; S2212-H2216 PolarHBondContact OG-NE2 3.13Å
2213	S	35	Very low	43.4	Very low	85.8 Å²	85.8	52.3 Å²	52.3	60%	0.6	27%	0.267	S	S	*	.	S	Bend	trans	-85.9	26.8	176	59	0	0	0	0	113.8	I2210 N2211	I2210-S2213 PolarHBondContact N-O 3.18Å; I2210-S2213 PolarHBondContact O-N 3.39Å; I2210-S2213 VanDerWaalsContact O-N 3.11Å; I2210-S2213 PolarHBondContact O-OG 3.41Å; N2211-S2213 PolarHBondContact O-N 3.2Å
2214	F	39.8	Very low	43.6	Very low	112.8 Å²	112.8	52.2 Å²	52.2	50%	0.495	27%	0.267	S	S	.	.	S	Bend	trans	-98.1	155.2	-174.9	-68.2	-72	0	0	0	112.2	N2187 K2207 I2209 S2212 H2216 I2238	N2187-F2214 VanDerWaalsContact ND2-CB 3.25Å; N2187-F2214 WeakPolarHBondContact ND2-CB 3.03Å; N2187-F2214 WeakPolarHBondContact OD1-CB 3.49Å; K2207-F2214 VanDerWaalsContact CE-CE1 3.45Å; I2209-F2214 HydrophobicContact CD1-CE1 4.06Å; I2209-F2214 HydrophobicContact CG1-CD1 4.03Å; I2209-F2214 HydrophobicContact CG1-CE1 4.06Å; S2212-F2214 VanDerWaalsContact C-N 3.31Å; S2212-F2214 PolarHBondContact O-N 3.34Å; S2212-F2214 WeakPolarHBondContact OG-CD2 3.31Å; S2212-F2214 PolarHBondContact OG-N 3.09Å; F2214-H2216 PolarHBondContact O-CD2 3.06Å; F2214-H2216 PolarHBondContact O-N 2.84Å; F2214-I2238 VanDerWaalsContact O-CD1 3.25Å; F2214-I2238 WeakPolarHBondContact O-CD1 3.44Å
2215	N	38.7	Very low	43.7	Very low	66.8 Å²	66.8	55.3 Å²	55.3	36%	0.357	28%	0.28	S	S	.	.			trans	-71.6	132.9	172.4	-65.8	-34.6	0	0	0	109.9	N2187 I2208 F2217 L2249 I2273	N2187-N2215 WeakPolarHBondContact CA-O 3.39Å; N2187-N2215 VanDerWaalsContact CB-O 3.31Å; N2187-N2215 WeakPolarHBondContact CB-O 3.15Å; N2187-N2215 VanDerWaalsContact O-O 3.11Å; I2208-N2215 PolarHBondContact N-O 3.27Å; I2208-N2215 PolarHBondContact O-N 3.21Å; I2208-N2215 VanDerWaalsContact O-N 3.14Å; I2208-N2215 VanDerWaalsContact O-O 3.04Å; N2215-F2217 HydrophobicContact CB-CD2 4.12Å; N2215-F2217 HydrophobicContact CB-CE2 3.77Å; N2215-F2217 HydrophobicContact CB-CZ 4.14Å; N2215-L2249 HydrophobicContact CB-CD1 4.47Å; N2215-L2249 WeakPolarHBondContact OD1-CB 3.48Å; N2215-L2249 WeakPolarHBondContact OD1-CD2 3.29Å; N2215-I2273 WeakPolarHBondContact OD1-CG2 3.42Å
2216	H	44.1	Very low	43.4	Very low	22 Å²	22	59.2 Å²	59.2	10%	0.102	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.4	171.6	-69	-52.2	0	0	0	109.8	N2186 N2187 K2207 I2209 I2210 S2212 F2214 I2238 Y2247 L2272	N2186-H2216 PolarHBondContact O-CE1 2.83Å; N2186-H2216 PolarHBondContact O-ND1 3.5Å; N2187-H2216 CarbonylContact O-C 3.14Å; N2187-H2216 WeakPolarHBondContact O-CA 3.31Å; K2207-H2216 VanDerWaalsContact CD-CE1 3.49Å; K2207-H2216 WeakPolarHBondContact CD-CE1 3.5Å; K2207-H2216 WeakPolarHBondContact CE-ND1 3.49Å; K2207-H2216 VanDerWaalsContact CG-CE1 3.46Å; K2207-H2216 WeakPolarHBondContact CG-CE1 3.33Å; K2207-H2216 PolarHBondContact NZ-ND1 2.93Å; K2207-H2216 VanDerWaalsContact NZ-ND1 3.12Å; I2209-H2216 HydrophobicContact CD1-CB 4.18Å; I2209-H2216 VanDerWaalsContact CD1-CD2 3.5Å; I2209-H2216 WeakPolarHBondContact CD1-CD2 3.44Å; I2210-H2216 HydrophobicContact CD1-CB 4.48Å; I2210-H2216 VanDerWaalsContact CG2-CD2 3.49Å; I2210-H2216 WeakPolarHBondContact CG2-CD2 3.27Å; I2210-H2216 WeakPolarHBondContact CG2-NE2 3.31Å; S2212-H2216 VanDerWaalsContact CB-NE2 3.33Å; S2212-H2216 WeakPolarHBondContact CB-NE2 3.19Å; S2212-H2216 PolarHBondContact OG-CE1 2.78Å; S2212-H2216 PolarHBondContact OG-NE2 3.13Å; F2214-H2216 PolarHBondContact O-CD2 3.06Å; F2214-H2216 PolarHBondContact O-N 2.84Å; H2216-I2238 HydrophobicContact CB-CD1 4.37Å; H2216-I2238 WeakPolarHBondContact CD2-CD1 2.84Å; H2216-Y2247 HydrophobicContact CB-CE1 3.76Å; H2216-Y2247 AromaticContact CD2-CE1 3.5Å; H2216-Y2247 VanDerWaalsContact CD2-CE1 3.5Å; H2216-Y2247 WeakPolarHBondContact CD2-CE1 3.39Å; H2216-Y2247 AromaticContact CD2-CZ 3.56Å; H2216-Y2247 PolarHBondContact CD2-OH 2.96Å; H2216-Y2247 AromaticContact CG-CE1 3.96Å; H2216-L2272 HydrophobicContact CB-CB 4.35Å; H2216-L2272 PolarHBondContact N-O 2.93Å; H2216-L2272 PolarHBondContact O-N 3.06Å; H2216-L2272 VanDerWaalsContact O-N 3.08Å; H2216-L2272 VanDerWaalsContact O-O 3.14Å
2217	F	44.6	Very low	43.3	Very low	57.8 Å²	57.8	59.7 Å²	59.7	25%	0.254	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.7	176.1	-64.5	-95.4	0	0	0	109.5	N2187 N2188 L2189 I2205 K2206 I2208 N2215 L2233 I2235 I2270 K2271	N2187-F2217 PolarHBondContact O-N 3.1Å; N2188-F2217 CarbonylContact C-O 3.51Å; N2188-F2217 WeakPolarHBondContact OD1-CB 3.47Å; N2188-F2217 VanDerWaalsContact OD1-CD2 3.29Å; N2188-F2217 WeakPolarHBondContact OD1-CD2 3.4Å; N2188-F2217 WeakPolarHBondContact OD1-CG 3.49Å; L2189-F2217 PolarHBondContact N-O 3.12Å; I2205-F2217 CarbonylContact C-O 3.5Å; I2205-F2217 WeakPolarHBondContact CA-O 3.45Å; K2206-F2217 HydrophobicContact CB-CB 4.5Å; K2206-F2217 PolarHBondContact N-O 3.12Å; K2206-F2217 PolarHBondContact O-N 3.17Å; I2208-F2217 HydrophobicContact CB-CD2 4.2Å; I2208-F2217 HydrophobicContact CB-CE2 4.01Å; I2208-F2217 HydrophobicContact CD1-CD2 3.64Å; I2208-F2217 HydrophobicContact CD1-CE2 3.7Å; I2208-F2217 HydrophobicContact CG1-CD2 3.8Å; I2208-F2217 HydrophobicContact CG1-CE2 4.01Å; N2215-F2217 HydrophobicContact CB-CD2 4.12Å; N2215-F2217 HydrophobicContact CB-CE2 3.77Å; N2215-F2217 HydrophobicContact CB-CZ 4.14Å; F2217-L2233 HydrophobicContact CD1-CD2 4.41Å; F2217-I2235 HydrophobicContact CD1-CG1 4.36Å; F2217-I2235 HydrophobicContact CE1-CD1 4.21Å; F2217-I2235 HydrophobicContact CE1-CG1 4.1Å; F2217-I2270 WeakPolarHBondContact CA-O 2.84Å; F2217-K2271 HydrophobicContact CD1-CB 4.33Å; F2217-K2271 HydrophobicContact CD1-CD 4.22Å; F2217-K2271 HydrophobicContact CD1-CG 4.04Å; F2217-K2271 HydrophobicContact CE1-CB 3.99Å; F2217-K2271 HydrophobicContact CE1-CD 3.88Å; F2217-K2271 HydrophobicContact CE1-CG 4.03Å; F2217-K2271 HydrophobicContact CZ-CD 4.32Å; F2217-K2271 HydrophobicContact CZ-CG 4.46Å
2218	I	47.9	Very low	43	Very low	12 Å²	12	60.7 Å²	60.7	6%	0.062	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	104.9	166.1	-58	175.1	0	0	0	106.7	L2189 I2205 K2207 I2208 V2220 Q2234 I2236 Y2247 L2249 I2270 L2272	L2189-I2218 HydrophobicContact CB-CG1 4.42Å; L2189-I2218 HydrophobicContact CD2-CG1 4.38Å; L2189-I2218 HydrophobicContact CD2-CG2 4.31Å; L2189-I2218 CarbonylContact O-C 3.56Å; L2189-I2218 WeakPolarHBondContact O-CA 3.42Å; I2205-I2218 HydrophobicContact CD1-CD1 4.23Å; I2205-I2218 HydrophobicContact CD1-CG2 3.77Å; I2205-I2218 HydrophobicContact CG1-CD1 4.49Å; I2205-I2218 HydrophobicContact CG1-CG1 4.11Å; I2205-I2218 HydrophobicContact CG1-CG2 3.99Å; I2205-I2218 HydrophobicContact CG2-CD1 4.22Å; I2205-I2218 HydrophobicContact CG2-CG1 4.36Å; K2207-I2218 HydrophobicContact CB-CD1 4.45Å; K2207-I2218 HydrophobicContact CD-CD1 4.17Å; K2207-I2218 HydrophobicContact CD-CG1 4.28Å; I2208-I2218 HydrophobicContact CD1-CD1 3.75Å; I2218-V2220 HydrophobicContact CG2-CG2 4.2Å; I2218-Q2234 PolarHBondContact O-N 2.92Å; I2218-I2236 HydrophobicContact CD1-CD1 4.11Å; I2218-Y2247 HydrophobicContact CD1-CD1 3.96Å; I2218-Y2247 HydrophobicContact CD1-CG 4.45Å; I2218-L2249 HydrophobicContact CB-CD1 4.38Å; I2218-L2249 HydrophobicContact CD1-CD1 3.83Å; I2218-L2249 HydrophobicContact CD1-CG 4.45Å; I2218-L2249 HydrophobicContact CG2-CD1 3.75Å; I2218-I2270 CarbonylContact C-O 3.48Å; I2218-I2270 HydrophobicContact CB-CB 4.41Å; I2218-I2270 HydrophobicContact CG2-CB 4.42Å; I2218-I2270 HydrophobicContact CG2-CD1 3.96Å; I2218-I2270 PolarHBondContact N-O 2.87Å; I2218-I2270 CarbonylContact O-C 3.52Å; I2218-I2270 WeakPolarHBondContact O-CA 3.04Å; I2218-I2270 PolarHBondContact O-N 3.01Å; I2218-I2270 VanDerWaalsContact O-N 3.11Å; I2218-I2270 VanDerWaalsContact O-O 3.06Å; I2218-L2272 HydrophobicContact CD1-CD1 4.11Å
2219	N	46.3	Very low	42.6	Very low	54.2 Å²	54.2	61 Å²	61	29%	0.29	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.5	173.2	-74.9	-20.5	0	0	0	108.6	L2189 S2190 I2191 F2203 E2204 L2268 S2269	L2189-N2219 PolarHBondContact O-N 3.18Å; S2190-N2219 CarbonylContact C-O 3.52Å; S2190-N2219 WeakPolarHBondContact CA-O 3.43Å; I2191-N2219 PolarHBondContact N-O 2.84Å; F2203-N2219 WeakPolarHBondContact CA-O 3.49Å; E2204-N2219 HydrophobicContact CB-CB 4.25Å; E2204-N2219 PolarHBondContact N-O 3Å; E2204-N2219 PolarHBondContact O-N 3.29Å; E2204-N2219 PolarHBondContact OE2-ND2 3.36Å; E2204-N2219 VanDerWaalsContact OE2-ND2 3.1Å; N2219-L2268 WeakPolarHBondContact CA-O 3.49Å; N2219-S2269 VanDerWaalsContact OD1-CB 3.28Å; N2219-S2269 WeakPolarHBondContact OD1-CB 3.18Å
2220	V	48.6	Very low	42.3	Very low	7.2 Å²	7.2	59.6 Å²	59.6	4%	0.044	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.6	169.2	-175.2	0	0	0	0	107.7	I2191 I2193 I2201 F2203 I2205 I2218 L2222 Y2232 L2249 L2268 I2270	I2191-V2220 HydrophobicContact CB-CG2 4.48Å; I2191-V2220 HydrophobicContact CD1-CG2 4.29Å; I2191-V2220 WeakPolarHBondContact O-CA 3.42Å; I2193-V2220 HydrophobicContact CD1-CG1 4.05Å; I2201-V2220 HydrophobicContact CG2-CG1 3.93Å; F2203-V2220 HydrophobicContact CD1-CB 4.29Å; F2203-V2220 HydrophobicContact CD1-CG1 3.96Å; F2203-V2220 HydrophobicContact CD1-CG2 3.62Å; F2203-V2220 HydrophobicContact CE1-CB 4.11Å; F2203-V2220 HydrophobicContact CE1-CG1 3.88Å; F2203-V2220 VanDerWaalsContact CE1-CG1 3.46Å; F2203-V2220 HydrophobicContact CE1-CG2 4.17Å; F2203-V2220 HydrophobicContact CE2-CG1 4.16Å; F2203-V2220 HydrophobicContact CZ-CG1 3.6Å; F2203-V2220 VanDerWaalsContact CZ-CG1 3.44Å; F2203-V2220 HydrophobicContact CZ-CG2 4.2Å; I2205-V2220 HydrophobicContact CD1-CG2 3.81Å; I2218-V2220 HydrophobicContact CG2-CG2 4.2Å; V2220-L2222 HydrophobicContact CG1-CD2 4.33Å; V2220-Y2232 PolarHBondContact N-O 2.88Å; V2220-Y2232 PolarHBondContact O-N 3.19Å; V2220-L2249 HydrophobicContact CG2-CD1 4.13Å; V2220-L2249 HydrophobicContact CG2-CD2 4.25Å; V2220-L2268 HydrophobicContact CB-CB 4.36Å; V2220-L2268 HydrophobicContact CB-CD2 4.49Å; V2220-L2268 HydrophobicContact CG2-CD2 4.4Å; V2220-L2268 PolarHBondContact N-O 3.05Å; V2220-L2268 CarbonylContact O-C 3.5Å; V2220-L2268 WeakPolarHBondContact O-CA 2.67Å; V2220-L2268 WeakPolarHBondContact O-CB 3.24Å; V2220-L2268 PolarHBondContact O-N 3.17Å; V2220-L2268 VanDerWaalsContact O-N 3.12Å; V2220-L2268 VanDerWaalsContact O-O 3.11Å; V2220-I2270 HydrophobicContact CG2-CD1 3.9Å
2221	S	46.9	Very low	42	Very low	15.6 Å²	15.6	59.9 Å²	59.9	11%	0.109	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122	178.6	33.6	0	0	0	0	109.8	I2191 L2192 I2193 I2201 F2202 Y2223 G2230 Y2266 N2267	I2191-S2221 PolarHBondContact O-N 3.28Å; I2191-S2221 PolarHBondContact O-OG 2.82Å; L2192-S2221 CarbonylContact C-O 3.56Å; L2192-S2221 WeakPolarHBondContact CA-O 3.37Å; L2192-S2221 WeakPolarHBondContact CA-OG 3.34Å; L2192-S2221 WeakPolarHBondContact CB-OG 3.49Å; L2192-S2221 WeakPolarHBondContact CD2-OG 3.47Å; L2192-S2221 VanDerWaalsContact CG-OG 3.31Å; L2192-S2221 WeakPolarHBondContact CG-OG 3.35Å; I2193-S2221 PolarHBondContact N-O 3.06Å; I2201-S2221 CarbonylContact C-O 3.56Å; I2201-S2221 WeakPolarHBondContact CA-O 3.43Å; F2202-S2221 PolarHBondContact N-O 3.49Å; F2202-S2221 PolarHBondContact O-N 3.06Å; F2202-S2221 PolarHBondContact O-OG 3.4Å; S2221-Y2223 WeakPolarHBondContact OG-CE2 3.23Å; S2221-Y2223 PolarHBondContact OG-OH 3.48Å; S2221-G2230 WeakPolarHBondContact CA-O 3.26Å; S2221-Y2266 WeakPolarHBondContact CA-O 3.29Å; S2221-N2267 VanDerWaalsContact CB-OD1 3.23Å; S2221-N2267 WeakPolarHBondContact CB-OD1 3.38Å
2222	L	47.9	Very low	42.2	Very low	14.6 Å²	14.6	56.6 Å²	56.6	8%	0.076	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.6	174.7	-75.9	149.3	0	0	0	107.9	I2193 I2195 K2200 I2201 F2203 V2220 K2228 L2229 G2230 Y2232 L2233 Q2234 L2253 Y2266	I2193-L2222 HydrophobicContact CB-CD2 4.06Å; I2193-L2222 HydrophobicContact CD1-CD2 4.04Å; I2193-L2222 HydrophobicContact CG2-CD2 4.32Å; I2193-L2222 WeakPolarHBondContact O-CA 3.25Å; I2195-L2222 HydrophobicContact CD1-CB 4.03Å; I2195-L2222 HydrophobicContact CD1-CD2 3.61Å; I2195-L2222 HydrophobicContact CD1-CG 4.03Å; K2200-L2222 CarbonylContact O-C 3.54Å; I2201-L2222 HydrophobicContact CD1-CD1 4.31Å; I2201-L2222 HydrophobicContact CD1-CD2 3.71Å; I2201-L2222 HydrophobicContact CG1-CD1 3.85Å; F2203-L2222 HydrophobicContact CE2-CD2 4.25Å; V2220-L2222 HydrophobicContact CG1-CD2 4.33Å; L2222-K2228 CarbonylContact O-C 3.38Å; L2222-K2228 WeakPolarHBondContact O-CA 3.29Å; L2222-L2229 HydrophobicContact CB-CB 4.4Å; L2222-L2229 HydrophobicContact CD2-CB 3.94Å; L2222-L2229 HydrophobicContact CD2-CD1 3.7Å; L2222-L2229 HydrophobicContact CD2-CG 4.47Å; L2222-L2229 HydrophobicContact CG-CB 4.23Å; L2222-L2229 HydrophobicContact CG-CD1 4.14Å; L2222-L2229 PolarHBondContact O-N 3.36Å; L2222-G2230 PolarHBondContact N-O 3.41Å; L2222-Y2232 HydrophobicContact CD1-CD1 4.33Å; L2222-Y2232 HydrophobicContact CD1-CE1 4Å; L2222-L2233 HydrophobicContact CD1-CD1 3.88Å; L2222-Q2234 VanDerWaalsContact CD1-NE2 3.32Å; L2222-L2253 HydrophobicContact CD1-CD1 3.68Å; L2222-L2253 HydrophobicContact CD1-CD2 4.08Å; L2222-L2253 HydrophobicContact CD1-CG 4.43Å; L2222-L2253 HydrophobicContact CD2-CD1 4.32Å; L2222-L2253 HydrophobicContact CD2-CD2 3.9Å; L2222-Y2266 HydrophobicContact CB-CD2 4.37Å; L2222-Y2266 PolarHBondContact N-O 3.01Å; L2222-Y2266 WeakPolarHBondContact O-CA 3.36Å; L2222-Y2266 WeakPolarHBondContact O-CB 3.32Å; L2222-Y2266 PolarHBondContact O-N 3.14Å; L2222-Y2266 VanDerWaalsContact O-N 3.12Å
2223	Y	47.4	Very low	41.9	Very low	71.6 Å²	71.6	57.9 Å²	57.9	28%	0.281	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.4	179.9	-126	-93.4	0	0	0	109.2	L2192 I2193 N2194 I2195 Y2199 K2200 F2202 S2221 K2225 I2227 K2228 N2263 I2265	L2192-Y2223 HydrophobicContact CD2-CD2 4.17Å; L2192-Y2223 HydrophobicContact CD2-CE2 3.32Å; I2193-Y2223 PolarHBondContact O-N 3.14Å; N2194-Y2223 CarbonylContact C-O 3.49Å; N2194-Y2223 WeakPolarHBondContact CA-O 3.43Å; N2194-Y2223 WeakPolarHBondContact OD1-CB 3.36Å; N2194-Y2223 PolarHBondContact OD1-O 2.92Å; I2195-Y2223 PolarHBondContact N-O 2.95Å; Y2199-Y2223 CarbonylContact C-O 3.54Å; Y2199-Y2223 VanDerWaalsContact CA-O 3.27Å; Y2199-Y2223 WeakPolarHBondContact CA-O 3.4Å; K2200-Y2223 PolarHBondContact N-O 2.85Å; K2200-Y2223 PolarHBondContact O-N 3.44Å; F2202-Y2223 HydrophobicContact CB-CE2 4.05Å; S2221-Y2223 WeakPolarHBondContact OG-CE2 3.23Å; S2221-Y2223 PolarHBondContact OG-OH 3.48Å; Y2223-K2225 HydrophobicContact CD1-CG 3.98Å; Y2223-K2225 HydrophobicContact CE1-CD 4.18Å; Y2223-K2225 VanDerWaalsContact CE1-CE 3.48Å; Y2223-K2225 HydrophobicContact CE1-CG 3.42Å; Y2223-I2227 CarbonylContact C-O 3.58Å; Y2223-I2227 WeakPolarHBondContact CA-O 3.32Å; Y2223-K2228 HydrophobicContact CD1-CB 3.77Å; Y2223-K2228 HydrophobicContact CD1-CG 4.17Å; Y2223-K2228 HydrophobicContact CE1-CB 3.63Å; Y2223-K2228 HydrophobicContact CE1-CD 3.87Å; Y2223-K2228 HydrophobicContact CE1-CG 3.76Å; Y2223-N2263 HydrophobicContact CE2-CB 3.89Å; Y2223-N2263 WeakPolarHBondContact OH-CB 3.31Å; Y2223-N2263 VanDerWaalsContact OH-CG 3.26Å; Y2223-N2263 PolarHBondContact OH-ND2 3.17Å; Y2223-N2263 VanDerWaalsContact OH-ND2 3.11Å; Y2223-I2265 HydrophobicContact CD1-CG1 4.09Å; Y2223-I2265 HydrophobicContact CD2-CG1 4.15Å; Y2223-I2265 HydrophobicContact CD2-CG2 4.5Å; Y2223-I2265 HydrophobicContact CE1-CD1 3.87Å; Y2223-I2265 HydrophobicContact CE1-CG1 3.77Å; Y2223-I2265 HydrophobicContact CE2-CD1 4.05Å; Y2223-I2265 HydrophobicContact CE2-CG1 3.83Å; Y2223-I2265 HydrophobicContact CE2-CG2 4.38Å
2224	D	50.4	Low	42.1	Very low	13.8 Å²	13.8	56.1 Å²	56.1	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.8	174.4	-177.6	0.8	0	0	0	109.6	I2195 K2198 Y2199 Q2226 I2227 K2228 L2229 I2255 H2264 Y2266	I2195-D2224 WeakPolarHBondContact O-CA 3.11Å; I2195-D2224 VanDerWaalsContact O-CG 3.23Å; K2198-D2224 CarbonylContact O-C 3.53Å; K2198-D2224 WeakPolarHBondContact O-CA 3.39Å; Y2199-D2224 HydrophobicContact CD1-CB 3.9Å; Y2199-D2224 HydrophobicContact CE1-CB 3.79Å; D2224-Q2226 VanDerWaalsContact C-N 3.33Å; D2224-Q2226 PolarHBondContact O-N 3.05Å; D2224-Q2226 WeakPolarHBondContact OD1-CA 3.45Å; D2224-Q2226 PolarHBondContact OD1-N 2.92Å; D2224-I2227 PolarHBondContact N-O 3.46Å; D2224-I2227 PolarHBondContact O-N 3.1Å; D2224-I2227 PolarHBondContact OD1-N 3.08Å; D2224-K2228 PolarHBondContact OD1-N 3.1Å; D2224-K2228 WeakPolarHBondContact OD2-CA 3.49Å; D2224-K2228 PolarHBondContact OD2-N 3.39Å; D2224-L2229 HydrophobicContact CB-CD1 3.98Å; D2224-L2229 HydrophobicContact CB-CD2 4.46Å; D2224-L2229 HydrophobicContact CB-CG 4.13Å; D2224-L2229 WeakPolarHBondContact OD2-CD1 3.4Å; D2224-L2229 WeakPolarHBondContact OD2-CG 2.72Å; D2224-L2229 PolarHBondContact OD2-N 3.04Å; D2224-I2255 WeakPolarHBondContact OD2-CG2 3.32Å; D2224-H2264 PolarHBondContact N-O 2.79Å; D2224-H2264 PolarHBondContact O-N 2.95Å; D2224-Y2266 HydrophobicContact CB-CD2 4.49Å; D2224-Y2266 HydrophobicContact CB-CE2 4.11Å
2225	K	45.9	Very low	41.7	Very low	113.4 Å²	113.4	53.4 Å²	53.4	49%	0.493	26%	0.264	S	S	.	.	S	Bend	trans	-73.9	-22.8	-179.1	-71.6	-179.9	-176.6	167.2	0	113.5	N2194 D2196 K2198 Y2223 N2262	N2194-K2225 PolarHBondContact ND2-NZ 2.96Å; N2194-K2225 WeakPolarHBondContact OD1-CE 3.38Å; N2194-K2225 PolarHBondContact OD1-NZ 3.21Å; D2196-K2225 IonicContact OD1-NZ 3.1Å; D2196-K2225 IonicContact OD2-NZ 3.9Å; D2196-K2225 PolarHBondContact OD2-NZ 3.44Å; K2198-K2225 WeakPolarHBondContact O-CA 3.05Å; K2198-K2225 PolarHBondContact O-N 3.39Å; Y2223-K2225 HydrophobicContact CD1-CG 3.98Å; Y2223-K2225 HydrophobicContact CE1-CD 4.18Å; Y2223-K2225 VanDerWaalsContact CE1-CE 3.48Å; Y2223-K2225 HydrophobicContact CE1-CG 3.42Å; K2225-N2262 CarbonylContact C-O 3.55Å; K2225-N2262 CarbonylContact O-C 3.54Å; K2225-N2262 PolarHBondContact O-N 3.35Å
2226	Q	42.2	Very low	41.6	Very low	96.6 Å²	96.6	52.1 Å²	52.1	45%	0.451	26%	0.256	S	S	.	.	S	Bend	trans	-132.5	35.2	-170.8	-61.9	-165.5	4.4	0	0	114.4	D2196 D2224 K2228 N2257 D2261	D2196-Q2226 PolarHBondContact O-NE2 2.69Å; D2196-Q2226 VanDerWaalsContact O-NE2 3.16Å; D2196-Q2226 PolarHBondContact O-OE1 2.7Å; D2196-Q2226 PolarHBondContact OD1-NE2 2.92Å; D2224-Q2226 VanDerWaalsContact C-N 3.33Å; D2224-Q2226 PolarHBondContact O-N 3.05Å; D2224-Q2226 WeakPolarHBondContact OD1-CA 3.45Å; D2224-Q2226 PolarHBondContact OD1-N 2.92Å; Q2226-K2228 VanDerWaalsContact C-N 3.3Å; Q2226-K2228 HydrophobicContact CB-CB 4.17Å; Q2226-K2228 HydrophobicContact CB-CD 3.78Å; Q2226-K2228 HydrophobicContact CB-CG 3.79Å; Q2226-K2228 PolarHBondContact O-N 3.01Å; Q2226-N2257 WeakPolarHBondContact CB-OD1 3.23Å; Q2226-N2257 PolarHBondContact O-OD1 2.87Å; Q2226-N2257 PolarHBondContact OE1-ND2 2.76Å; Q2226-D2261 PolarHBondContact NE2-OD1 2.9Å; Q2226-D2261 VanDerWaalsContact NE2-OD1 3.14Å
2227	I	40.3	Very low	41.1	Very low	94.4 Å²	94.4	55 Å²	55	48%	0.484	27%	0.27	S	S	.	.	S	Bend	trans	4.3	76.2	-178.7	-52.5	174.7	0	0	0	112.6	Y2223 D2224 L2229 I2256 N2257 N2258 N2260 N2262	Y2223-I2227 CarbonylContact C-O 3.58Å; Y2223-I2227 WeakPolarHBondContact CA-O 3.32Å; D2224-I2227 PolarHBondContact N-O 3.46Å; D2224-I2227 PolarHBondContact O-N 3.1Å; D2224-I2227 PolarHBondContact OD1-N 3.08Å; I2227-L2229 PolarHBondContact O-N 3.14Å; I2227-I2256 CarbonylContact O-C 3.38Å; I2227-I2256 VanDerWaalsContact O-C 3.28Å; I2227-N2257 WeakPolarHBondContact O-CA 3.21Å; I2227-N2258 HydrophobicContact CB-CB 4.3Å; I2227-N2258 WeakPolarHBondContact CB-O 2.97Å; I2227-N2258 HydrophobicContact CG2-CB 3.97Å; I2227-N2260 HydrophobicContact CD1-CB 3.58Å; I2227-N2262 HydrophobicContact CD1-CB 3.81Å; I2227-N2262 HydrophobicContact CG1-CB 4.25Å
2228	K	37.7	Very low	40.7	Very low	95.4 Å²	95.4	53.9 Å²	53.9	42%	0.415	27%	0.266	S	S	.	.			trans	-115	57.1	-178	-108.9	-178.1	178.5	174.2	0	114.3	D2196 E2197 L2222 Y2223 D2224 Q2226 G2230 N2231 I2256	D2196-K2228 WeakPolarHBondContact O-CD 3.37Å; D2196-K2228 PolarHBondContact O-NZ 2.9Å; E2197-K2228 IonicContact OE1-NZ 3.99Å; E2197-K2228 PolarHBondContact OE1-NZ 3.01Å; L2222-K2228 CarbonylContact O-C 3.38Å; L2222-K2228 WeakPolarHBondContact O-CA 3.29Å; Y2223-K2228 HydrophobicContact CD1-CB 3.77Å; Y2223-K2228 HydrophobicContact CD1-CG 4.17Å; Y2223-K2228 HydrophobicContact CE1-CB 3.63Å; Y2223-K2228 HydrophobicContact CE1-CD 3.87Å; Y2223-K2228 HydrophobicContact CE1-CG 3.76Å; D2224-K2228 PolarHBondContact OD1-N 3.1Å; D2224-K2228 WeakPolarHBondContact OD2-CA 3.49Å; D2224-K2228 PolarHBondContact OD2-N 3.39Å; Q2226-K2228 VanDerWaalsContact C-N 3.3Å; Q2226-K2228 HydrophobicContact CB-CB 4.17Å; Q2226-K2228 HydrophobicContact CB-CD 3.78Å; Q2226-K2228 HydrophobicContact CB-CG 3.79Å; Q2226-K2228 PolarHBondContact O-N 3.01Å; K2228-G2230 PolarHBondContact O-N 3.01Å; K2228-N2231 VanDerWaalsContact CE-CG 3.45Å; K2228-N2231 WeakPolarHBondContact CE-OD1 3.31Å; K2228-N2231 PolarHBondContact NZ-OD1 3.12Å; K2228-I2256 HydrophobicContact CB-CB 4.44Å; K2228-I2256 VanDerWaalsContact CB-O 3.28Å; K2228-I2256 WeakPolarHBondContact CB-O 3.43Å; K2228-I2256 PolarHBondContact O-N 2.86Å
2229	L	37.1	Very low	40	Very low	48.2 Å²	48.2	56.9 Å²	56.9	25%	0.252	28%	0.282	S	S	.	.			trans	-76	57.7	174.2	-91.7	158.5	0	0	0	113.9	I2195 Y2199 L2222 D2224 I2227 N2231 Y2232 L2253 I2255 Y2266 L2292	I2195-L2229 HydrophobicContact CG2-CD2 4.39Å; Y2199-L2229 HydrophobicContact CD1-CD1 4.38Å; Y2199-L2229 HydrophobicContact CE1-CD1 4.25Å; L2222-L2229 HydrophobicContact CB-CB 4.4Å; L2222-L2229 HydrophobicContact CD2-CB 3.94Å; L2222-L2229 HydrophobicContact CD2-CD1 3.7Å; L2222-L2229 HydrophobicContact CD2-CG 4.47Å; L2222-L2229 HydrophobicContact CG-CB 4.23Å; L2222-L2229 HydrophobicContact CG-CD1 4.14Å; L2222-L2229 PolarHBondContact O-N 3.36Å; D2224-L2229 HydrophobicContact CB-CD1 3.98Å; D2224-L2229 HydrophobicContact CB-CD2 4.46Å; D2224-L2229 HydrophobicContact CB-CG 4.13Å; D2224-L2229 WeakPolarHBondContact OD2-CD1 3.4Å; D2224-L2229 WeakPolarHBondContact OD2-CG 2.72Å; D2224-L2229 PolarHBondContact OD2-N 3.04Å; I2227-L2229 PolarHBondContact O-N 3.14Å; L2229-N2231 PolarHBondContact O-N 3.42Å; L2229-N2231 VanDerWaalsContact O-N 3.08Å; L2229-Y2232 HydrophobicContact CD1-CD1 4.44Å; L2229-Y2232 HydrophobicContact CD1-CD2 3.94Å; L2229-Y2232 HydrophobicContact CD1-CE1 4.31Å; L2229-Y2232 HydrophobicContact CD1-CE2 3.54Å; L2229-Y2232 VanDerWaalsContact CD1-CE2 3.45Å; L2229-Y2232 HydrophobicContact CD1-CG 4.12Å; L2229-Y2232 HydrophobicContact CD2-CD2 3.98Å; L2229-Y2232 HydrophobicContact CD2-CE2 3.29Å; L2229-Y2232 HydrophobicContact CD2-CG 3.93Å; L2229-Y2232 HydrophobicContact CG-CD2 3.45Å; L2229-Y2232 VanDerWaalsContact CG-CD2 3.45Å; L2229-Y2232 HydrophobicContact CG-CE2 3.89Å; L2229-Y2232 HydrophobicContact CG-CG 3.92Å; L2229-L2253 HydrophobicContact CD2-CD2 3.75Å; L2229-I2255 HydrophobicContact CD2-CG1 4.03Å; L2229-Y2266 HydrophobicContact CB-CE2 4.25Å; L2229-Y2266 HydrophobicContact CD1-CD1 3.64Å; L2229-Y2266 HydrophobicContact CD1-CD2 4.02Å; L2229-Y2266 HydrophobicContact CD1-CE1 3.13Å; L2229-Y2266 HydrophobicContact CD1-CE2 4.04Å; L2229-Y2266 HydrophobicContact CD1-CG 4.3Å; L2229-Y2266 HydrophobicContact CD2-CD2 4.28Å; L2229-Y2266 HydrophobicContact CD2-CE1 4.06Å; L2229-Y2266 HydrophobicContact CD2-CE2 3.78Å; L2229-Y2266 HydrophobicContact CG-CE1 4.03Å; L2229-Y2266 HydrophobicContact CG-CE2 4.23Å; L2229-L2292 HydrophobicContact CD1-CD2 4.4Å
2230	G	35	Very low	39.4	Very low	22.4 Å²	22.4	58.6 Å²	58.6	23%	0.231	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	142.6	166.8	0	0	0	0	0	111.9	K2198 S2221 L2222 K2228 Y2232 Y2254	K2198-G2230 WeakPolarHBondContact CE-O 3.47Å; K2198-G2230 PolarHBondContact NZ-O 2.92Å; S2221-G2230 WeakPolarHBondContact CA-O 3.26Å; L2222-G2230 PolarHBondContact N-O 3.41Å; K2228-G2230 PolarHBondContact O-N 3.01Å; G2230-Y2232 PolarHBondContact O-N 2.87Å; G2230-Y2232 VanDerWaalsContact O-N 3.17Å; G2230-Y2254 WeakPolarHBondContact CA-O 3.31Å; G2230-Y2254 PolarHBondContact N-O 2.8Å
2231	N	33	Very low	38.8	Very low	78.8 Å²	78.8	62.4 Å²	62.4	42%	0.421	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	41	104.7	175.7	-70.2	5.2	0	0	0	113.2	K2228 L2229 Y2254	K2228-N2231 VanDerWaalsContact CE-CG 3.45Å; K2228-N2231 WeakPolarHBondContact CE-OD1 3.31Å; K2228-N2231 PolarHBondContact NZ-OD1 3.12Å; L2229-N2231 PolarHBondContact O-N 3.42Å; L2229-N2231 VanDerWaalsContact O-N 3.08Å; N2231-Y2254 HydrophobicContact CB-CE2 4.11Å; N2231-Y2254 VanDerWaalsContact CG-OH 3.22Å; N2231-Y2254 WeakPolarHBondContact ND2-CE2 3.34Å; N2231-Y2254 PolarHBondContact ND2-OH 3.13Å; N2231-Y2254 WeakPolarHBondContact OD1-CE2 3.43Å; N2231-Y2254 PolarHBondContact OD1-OH 3.3Å
2232	Y	38.6	Very low	38.1	Very low	54 Å²	54	66.3 Å²	66.3	21%	0.212	33%	0.328	C	S	.	.			trans	-90.3	107.3	167.3	-98.1	-91.4	0	0	0	112.3	I2195 Y2199 K2200 I2201 V2220 L2222 L2229 G2230 Q2234 N2251 L2253 L2268 F2290 Q2301	I2195-Y2232 WeakPolarHBondContact CD1-OH 3.36Å; I2195-Y2232 WeakPolarHBondContact CG2-OH 3.41Å; Y2199-Y2232 VanDerWaalsContact O-O 3.13Å; K2200-Y2232 HydrophobicContact CG-CD1 4.17Å; K2200-Y2232 HydrophobicContact CG-CG 4.36Å; I2201-Y2232 HydrophobicContact CD1-CE1 3.76Å; I2201-Y2232 HydrophobicContact CG1-CE1 4.11Å; V2220-Y2232 PolarHBondContact N-O 2.88Å; V2220-Y2232 PolarHBondContact O-N 3.19Å; L2222-Y2232 HydrophobicContact CD1-CD1 4.33Å; L2222-Y2232 HydrophobicContact CD1-CE1 4Å; L2229-Y2232 HydrophobicContact CD1-CD1 4.44Å; L2229-Y2232 HydrophobicContact CD1-CD2 3.94Å; L2229-Y2232 HydrophobicContact CD1-CE1 4.31Å; L2229-Y2232 HydrophobicContact CD1-CE2 3.54Å; L2229-Y2232 VanDerWaalsContact CD1-CE2 3.45Å; L2229-Y2232 HydrophobicContact CD1-CG 4.12Å; L2229-Y2232 HydrophobicContact CD2-CD2 3.98Å; L2229-Y2232 HydrophobicContact CD2-CE2 3.29Å; L2229-Y2232 HydrophobicContact CD2-CG 3.93Å; L2229-Y2232 HydrophobicContact CG-CD2 3.45Å; L2229-Y2232 VanDerWaalsContact CG-CD2 3.45Å; L2229-Y2232 HydrophobicContact CG-CE2 3.89Å; L2229-Y2232 HydrophobicContact CG-CG 3.92Å; G2230-Y2232 PolarHBondContact O-N 2.87Å; G2230-Y2232 VanDerWaalsContact O-N 3.17Å; Y2232-Q2234 HydrophobicContact CD1-CG 4.45Å; Y2232-Q2234 HydrophobicContact CE1-CB 3.58Å; Y2232-Q2234 PolarHBondContact O-N 3.11Å; Y2232-Q2234 PolarHBondContact OH-OE1 2.83Å; Y2232-N2251 PolarHBondContact OH-ND2 3.04Å; Y2232-N2251 PolarHBondContact OH-OD1 3.23Å; Y2232-L2253 HydrophobicContact CD2-CD2 3.62Å; Y2232-L2253 HydrophobicContact CD2-CG 4.05Å; Y2232-L2253 HydrophobicContact CE2-CD2 3.93Å; Y2232-L2253 HydrophobicContact CE2-CG 4.15Å; Y2232-L2268 WeakPolarHBondContact OH-CD1 3.39Å; Y2232-F2290 HydrophobicContact CD1-CZ 4.18Å; Y2232-F2290 HydrophobicContact CE1-CE1 4.44Å; Y2232-F2290 AromaticContact CE1-CE2 3.7Å; Y2232-F2290 HydrophobicContact CE1-CE2 3.7Å; Y2232-F2290 AromaticContact CE1-CZ 3.4Å; Y2232-F2290 HydrophobicContact CE1-CZ 3.4Å; Y2232-F2290 VanDerWaalsContact CE1-CZ 3.4Å; Y2232-F2290 AromaticContact CE2-CZ 3.92Å; Y2232-F2290 HydrophobicContact CE2-CZ 3.92Å; Y2232-F2290 AromaticContact CZ-CE2 3.87Å; Y2232-F2290 AromaticContact CZ-CZ 3.28Å; Y2232-F2290 VanDerWaalsContact OH-CZ 3.28Å; Y2232-F2290 WeakPolarHBondContact OH-CZ 3.46Å; Y2232-Q2301 PolarHBondContact O-NE2 3.17Å; Y2232-Q2301 PolarHBondContact O-OE1 2.99Å; Y2232-Q2301 PolarHBondContact OH-NE2 3.46Å; Y2232-Q2301 VanDerWaalsContact OH-NE2 3.12Å; Y2232-Q2301 PolarHBondContact OH-OE1 2.8Å
2233	L	32.8	Very low	37.4	Very low	77.6 Å²	77.6	73.8 Å²	73.8	41%	0.406	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.9	167.3	-166.3	142.6	0	0	0	107.7	F2217 L2222 I2235 I2236 N2251 Y2252 E2304	F2217-L2233 HydrophobicContact CD1-CD2 4.41Å; L2222-L2233 HydrophobicContact CD1-CD1 3.88Å; L2233-I2235 HydrophobicContact CD2-CD1 3.65Å; L2233-I2235 HydrophobicContact CD2-CG1 3.87Å; L2233-I2236 HydrophobicContact CD2-CD1 4.35Å; L2233-I2236 HydrophobicContact CD2-CG1 4.37Å; L2233-N2251 CarbonylContact O-C 3.57Å; L2233-N2251 WeakPolarHBondContact O-CA 3.32Å; L2233-Y2252 HydrophobicContact CD1-CD1 4.3Å; L2233-Y2252 HydrophobicContact CD1-CE1 4.38Å; L2233-Y2252 HydrophobicContact CD2-CE1 4.5Å; L2233-Y2252 HydrophobicContact CG-CD1 4.38Å; L2233-Y2252 PolarHBondContact N-O 3.01Å; L2233-Y2252 PolarHBondContact O-N 3.42Å; L2233-E2304 HydrophobicContact CD1-CB 4.11Å; L2233-E2304 HydrophobicContact CD1-CG 4.43Å; L2233-E2304 HydrophobicContact CG-CB 4.47Å
2234	Q	37.8	Very low	36.8	Very low	48.6 Å²	48.6	77 Å²	77	23%	0.227	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	101.5	-176.3	-128.9	177.5	4.5	0	0	110.9	I2218 L2222 Y2232 I2236 L2249 K2250 N2251 E2304	I2218-Q2234 PolarHBondContact O-N 2.92Å; L2222-Q2234 VanDerWaalsContact CD1-NE2 3.32Å; Y2232-Q2234 HydrophobicContact CD1-CG 4.45Å; Y2232-Q2234 HydrophobicContact CE1-CB 3.58Å; Y2232-Q2234 PolarHBondContact O-N 3.11Å; Y2232-Q2234 PolarHBondContact OH-OE1 2.83Å; Q2234-I2236 HydrophobicContact CB-CG1 4.37Å; Q2234-I2236 HydrophobicContact CG-CD1 4.28Å; Q2234-I2236 HydrophobicContact CG-CG1 4.01Å; Q2234-L2249 VanDerWaalsContact OE1-CD2 3.25Å; Q2234-K2250 CarbonylContact C-O 3.17Å; Q2234-K2250 WeakPolarHBondContact CA-O 3.14Å; Q2234-N2251 VanDerWaalsContact CG-OD1 3.23Å; Q2234-N2251 WeakPolarHBondContact CG-OD1 3.23Å; Q2234-E2304 CarbonylContact C-O 3.48Å
2235	I	33.1	Very low	36.1	Very low	57.4 Å²	57.4	78.9 Å²	78.9	29%	0.294	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126	170.1	-60.9	173.3	0	0	0	107.8	F2202 F2203 F2217 L2233 E2237 L2249 K2250 N2306	F2202-I2235 HydrophobicContact CD1-CB 4.14Å; F2202-I2235 HydrophobicContact CD1-CG2 4.24Å; F2202-I2235 HydrophobicContact CE1-CB 4.16Å; F2202-I2235 HydrophobicContact CE1-CD1 3.9Å; F2202-I2235 HydrophobicContact CE1-CG1 4.3Å; F2202-I2235 HydrophobicContact CE1-CG2 3.84Å; F2202-I2235 HydrophobicContact CE2-CD1 4.02Å; F2202-I2235 HydrophobicContact CZ-CB 4.29Å; F2202-I2235 HydrophobicContact CZ-CD1 3.8Å; F2202-I2235 HydrophobicContact CZ-CG1 4.35Å; F2203-I2235 PolarHBondContact N-O 2.97Å; F2203-I2235 VanDerWaalsContact N-O 3.14Å; F2217-I2235 HydrophobicContact CD1-CG1 4.36Å; F2217-I2235 HydrophobicContact CE1-CD1 4.21Å; F2217-I2235 HydrophobicContact CE1-CG1 4.1Å; L2233-I2235 HydrophobicContact CD2-CD1 3.65Å; L2233-I2235 HydrophobicContact CD2-CG1 3.87Å; I2235-E2237 HydrophobicContact CG2-CG 4.19Å; I2235-L2249 WeakPolarHBondContact O-CA 3.34Å; I2235-K2250 HydrophobicContact CB-CB 4.15Å; I2235-K2250 PolarHBondContact N-O 3.21Å; I2235-K2250 PolarHBondContact O-N 2.89Å; I2235-N2306 HydrophobicContact CG2-CB 4.24Å
2236	I	36.7	Very low	35.5	Very low	38 Å²	38	77.3 Å²	77.3	20%	0.195	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.6	173.3	-59	173.5	0	0	0	107.6	F2203 I2218 L2233 Q2234 I2238 Q2248 L2249 L2268 I2270 L2288 N2306 I2307	F2203-I2236 HydrophobicContact CB-CG1 4.44Å; I2218-I2236 HydrophobicContact CD1-CD1 4.11Å; L2233-I2236 HydrophobicContact CD2-CD1 4.35Å; L2233-I2236 HydrophobicContact CD2-CG1 4.37Å; Q2234-I2236 HydrophobicContact CB-CG1 4.37Å; Q2234-I2236 HydrophobicContact CG-CD1 4.28Å; Q2234-I2236 HydrophobicContact CG-CG1 4.01Å; I2236-I2238 HydrophobicContact CG2-CD1 4.23Å; I2236-I2238 HydrophobicContact CG2-CG1 4.22Å; I2236-Q2248 CarbonylContact C-O 3.52Å; I2236-Q2248 WeakPolarHBondContact CA-O 3.2Å; I2236-L2249 CarbonylContact O-C 3.59Å; I2236-L2249 VanDerWaalsContact O-C 3.3Å; I2236-L2249 PolarHBondContact O-N 3.25Å; I2236-L2268 HydrophobicContact CD1-CD1 4.14Å; I2236-L2268 HydrophobicContact CD1-CD2 3.82Å; I2236-L2268 VanDerWaalsContact CD1-CD2 3.48Å; I2236-L2268 HydrophobicContact CD1-CG 4.47Å; I2236-L2268 HydrophobicContact CG1-CD2 4.46Å; I2236-I2270 HydrophobicContact CD1-CD1 3.9Å; I2236-L2288 HydrophobicContact CD1-CD1 3.82Å; I2236-L2288 HydrophobicContact CD1-CD2 3.8Å; I2236-L2288 HydrophobicContact CD1-CG 4.35Å; I2236-N2306 CarbonylContact C-O 3.52Å; I2236-N2306 PolarHBondContact N-O 3.27Å; I2236-N2306 VanDerWaalsContact N-O 3.15Å; I2236-I2307 WeakPolarHBondContact O-CA 3.43Å
2237	E	33.1	Very low	35.2	Very low	83.8 Å²	83.8	74.7 Å²	74.7	39%	0.392	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.4	176.6	-116.2	175.1	163.5	0	0	110.4	F2203 E2204 I2205 I2235 N2239 Q2248 K2250 Y2308	F2203-E2237 PolarHBondContact O-N 3.26Å; E2204-E2237 HydrophobicContact CG-CB 4.46Å; I2205-E2237 PolarHBondContact N-O 3.11Å; I2235-E2237 HydrophobicContact CG2-CG 4.19Å; E2237-N2239 VanDerWaalsContact CD-ND2 3.29Å; E2237-N2239 WeakPolarHBondContact CG-OD1 3.37Å; E2237-N2239 PolarHBondContact OE1-ND2 3.35Å; E2237-N2239 PolarHBondContact OE1-OD1 2.87Å; E2237-Q2248 HydrophobicContact CB-CB 4.02Å; E2237-Q2248 HydrophobicContact CG-CG 4.24Å; E2237-Q2248 PolarHBondContact N-O 2.9Å; E2237-Q2248 PolarHBondContact O-N 2.9Å; E2237-Q2248 PolarHBondContact OE1-NE2 2.92Å; E2237-Q2248 PolarHBondContact OE2-OE1 2.81Å; E2237-K2250 VanDerWaalsContact CD-NZ 3.26Å; E2237-K2250 IonicContact OE1-NZ 3.78Å; E2237-K2250 PolarHBondContact OE1-NZ 3.34Å; E2237-K2250 IonicContact OE2-NZ 3.77Å; E2237-K2250 PolarHBondContact OE2-NZ 3.39Å; E2237-K2250 VanDerWaalsContact OE2-NZ 3.07Å; E2237-Y2308 HydrophobicContact CG-CD2 3.99Å; E2237-Y2308 HydrophobicContact CG-CE2 4.22Å; E2237-Y2308 HydrophobicContact CG-CG 4.41Å
2238	I	36.2	Very low	34.9	Very low	35.2 Å²	35.2	74.1 Å²	74.1	18%	0.181	37%	0.367	C	S	.	.			trans	-117	93.3	-178.8	-55.3	170.7	0	0	0	108.8	F2214 H2216 I2236 Q2240 L2241 T2245 I2246 Y2247 F2286 I2307 Y2308 L2309	F2214-I2238 VanDerWaalsContact O-CD1 3.25Å; F2214-I2238 WeakPolarHBondContact O-CD1 3.44Å; H2216-I2238 HydrophobicContact CB-CD1 4.37Å; H2216-I2238 WeakPolarHBondContact CD2-CD1 2.84Å; I2236-I2238 HydrophobicContact CG2-CD1 4.23Å; I2236-I2238 HydrophobicContact CG2-CG1 4.22Å; I2238-Q2240 HydrophobicContact CG2-CG 3.91Å; I2238-Q2240 PolarHBondContact O-N 3.41Å; I2238-L2241 HydrophobicContact CG2-CD1 4.34Å; I2238-T2245 HydrophobicContact CG2-CG2 4.38Å; I2238-I2246 WeakPolarHBondContact CA-O 3.18Å; I2238-Y2247 CarbonylContact C-O 3.48Å; I2238-Y2247 VanDerWaalsContact C-O 3.32Å; I2238-Y2247 WeakPolarHBondContact CB-O 3.24Å; I2238-Y2247 HydrophobicContact CG1-CD1 3.86Å; I2238-Y2247 HydrophobicContact CG1-CE1 4.13Å; I2238-Y2247 HydrophobicContact CG2-CD1 4.45Å; I2238-Y2247 HydrophobicContact CG2-CE1 4.16Å; I2238-Y2247 PolarHBondContact N-O 3.15Å; I2238-Y2247 CarbonylContact O-C 3.58Å; I2238-Y2247 PolarHBondContact O-N 3.1Å; I2238-F2286 HydrophobicContact CD1-CD1 4.21Å; I2238-F2286 HydrophobicContact CD1-CE1 3.32Å; I2238-F2286 HydrophobicContact CD1-CE2 3.94Å; I2238-F2286 HydrophobicContact CD1-CZ 3.18Å; I2238-F2286 HydrophobicContact CG1-CE1 4.08Å; I2238-F2286 HydrophobicContact CG1-CZ 4.1Å; I2238-I2307 HydrophobicContact CD1-CG2 4.14Å; I2238-Y2308 CarbonylContact C-O 3.55Å; I2238-Y2308 PolarHBondContact N-O 2.83Å; I2238-L2309 HydrophobicContact CB-CD2 4.11Å; I2238-L2309 HydrophobicContact CD1-CD2 4.44Å; I2238-L2309 HydrophobicContact CG2-CD2 4.08Å
2239	N	33.6	Very low	34.8	Very low	73.8 Å²	73.8	71.1 Å²	71.1	40%	0.395	36%	0.355	S	S	.	.			trans	-84.3	24.9	-173.7	-75.9	-23.1	0	0	0	113.4	E2204 I2205 E2237 L2241 I2246 Y2308	E2204-N2239 PolarHBondContact OE1-ND2 3.04Å; E2204-N2239 VanDerWaalsContact OE1-ND2 3.08Å; I2205-N2239 PolarHBondContact O-N 3.27Å; E2237-N2239 VanDerWaalsContact CD-ND2 3.29Å; E2237-N2239 WeakPolarHBondContact CG-OD1 3.37Å; E2237-N2239 PolarHBondContact OE1-ND2 3.35Å; E2237-N2239 PolarHBondContact OE1-OD1 2.87Å; N2239-L2241 PolarHBondContact O-N 3.36Å; N2239-I2246 HydrophobicContact CB-CB 4.37Å; N2239-I2246 PolarHBondContact N-O 3.21Å; N2239-I2246 PolarHBondContact O-N 2.87Å; N2239-Y2308 WeakPolarHBondContact OD1-CD2 3.27Å; N2239-Y2308 WeakPolarHBondContact OD1-CE2 3.46Å
2240	Q	33.6	Very low	34.6	Very low	89.2 Å²	89.2	74.5 Å²	74.5	42%	0.417	37%	0.368	S	S	.	.			trans	-131.5	113.9	172	-122.1	176.4	32.3	0	0	113.4	I2238 N2242 Q2244 T2245 N2311 N2312	I2238-Q2240 HydrophobicContact CG2-CG 3.91Å; I2238-Q2240 PolarHBondContact O-N 3.41Å; Q2240-N2242 PolarHBondContact OE1-ND2 3.37Å; Q2240-Q2244 CarbonylContact C-O 3.43Å; Q2240-Q2244 WeakPolarHBondContact CA-O 3.26Å; Q2240-T2245 HydrophobicContact CB-CG2 4.5Å; Q2240-T2245 HydrophobicContact CG-CG2 4.06Å; Q2240-N2311 PolarHBondContact OE1-OD1 2.57Å; Q2240-N2312 PolarHBondContact NE2-ND2 2.9Å
2241	L	34.4	Very low	34.5	Very low	87.6 Å²	87.6	75.4 Å²	75.4	46%	0.459	37%	0.367	S	S	.	.			trans	-108	101.4	167.5	-78.3	164.6	0	0	0	108.5	I2208 I2210 I2238 N2239 K2243 Q2244 T2245 I2246 Y2247 L2309	I2208-L2241 HydrophobicContact CB-CD2 4.14Å; I2208-L2241 HydrophobicContact CD1-CD2 4.23Å; I2208-L2241 HydrophobicContact CG2-CD2 4.33Å; I2210-L2241 HydrophobicContact CD1-CD2 3.74Å; I2210-L2241 HydrophobicContact CG1-CD2 4.44Å; I2238-L2241 HydrophobicContact CG2-CD1 4.34Å; N2239-L2241 PolarHBondContact O-N 3.36Å; L2241-K2243 PolarHBondContact O-N 2.88Å; L2241-Q2244 PolarHBondContact N-O 3.04Å; L2241-Q2244 WeakPolarHBondContact O-CA 3.48Å; L2241-Q2244 VanDerWaalsContact O-CB 3.29Å; L2241-Q2244 WeakPolarHBondContact O-CB 3.38Å; L2241-Q2244 PolarHBondContact O-N 2.8Å; L2241-T2245 PolarHBondContact N-O 3.49Å; L2241-T2245 PolarHBondContact O-OG1 3.47Å; L2241-T2245 VanDerWaalsContact O-OG1 3.12Å; L2241-I2246 HydrophobicContact CD1-CD1 3.86Å; L2241-Y2247 HydrophobicContact CB-CD2 4.17Å; L2241-Y2247 HydrophobicContact CB-CE2 4.01Å; L2241-Y2247 HydrophobicContact CD1-CD2 3.62Å; L2241-Y2247 HydrophobicContact CD1-CE2 3.82Å; L2241-Y2247 HydrophobicContact CG-CD2 4.45Å; L2241-L2309 HydrophobicContact CD1-CD2 4.25Å
2242	N	32.3	Very low	34.4	Very low	97.6 Å²	97.6	78.9 Å²	78.9	52%	0.522	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	38	104.3	-179.8	-92.9	-22.2	0	0	0	114.9	Q2240 Q2244 N2313	Q2240-N2242 PolarHBondContact OE1-ND2 3.37Å; N2242-Q2244 VanDerWaalsContact C-N 3.27Å; N2242-Q2244 PolarHBondContact O-N 3.39Å; N2242-Q2244 VanDerWaalsContact O-N 3.16Å; N2242-N2313 PolarHBondContact OD1-ND2 3.35Å
2243	K	34.2	Very low	34.1	Very low	172.4 Å²	172.4	78.8 Å²	78.8	75%	0.75	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	44.5	174	-65.6	-178.8	178.6	179.5	0	117.4	L2241 N2313	L2241-K2243 PolarHBondContact O-N 2.88Å; K2243-N2313 WeakPolarHBondContact CE-OD1 3.24Å
2244	Q	35	Very low	33.9	Very low	138 Å²	138	81.1 Å²	81.1	65%	0.645	38%	0.383	S	S	*	.			trans	-161.4	108.1	170.7	-63	179.2	-13.1	0	0	114.2	I2210 Q2240 L2241 N2242 N2313	I2210-Q2244 HydrophobicContact CG1-CG 4.47Å; Q2240-Q2244 CarbonylContact C-O 3.43Å; Q2240-Q2244 WeakPolarHBondContact CA-O 3.26Å; L2241-Q2244 PolarHBondContact N-O 3.04Å; L2241-Q2244 WeakPolarHBondContact O-CA 3.48Å; L2241-Q2244 VanDerWaalsContact O-CB 3.29Å; L2241-Q2244 WeakPolarHBondContact O-CB 3.38Å; L2241-Q2244 PolarHBondContact O-N 2.8Å; N2242-Q2244 VanDerWaalsContact C-N 3.27Å; N2242-Q2244 PolarHBondContact O-N 3.39Å; N2242-Q2244 VanDerWaalsContact O-N 3.16Å; Q2244-N2313 PolarHBondContact O-ND2 3.31Å
2245	T	34.8	Very low	33.6	Very low	55 Å²	55	80.9 Å²	80.9	34%	0.337	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.6	168.2	53.3	0	0	0	0	114.5	I2209 I2238 Q2240 L2241 Y2247 N2274	I2209-T2245 PolarHBondContact N-O 2.95Å; I2209-T2245 PolarHBondContact O-N 3.31Å; I2209-T2245 VanDerWaalsContact O-N 3.15Å; I2238-T2245 HydrophobicContact CG2-CG2 4.38Å; Q2240-T2245 HydrophobicContact CB-CG2 4.5Å; Q2240-T2245 HydrophobicContact CG-CG2 4.06Å; L2241-T2245 PolarHBondContact N-O 3.49Å; L2241-T2245 PolarHBondContact O-OG1 3.47Å; L2241-T2245 VanDerWaalsContact O-OG1 3.12Å; T2245-Y2247 WeakPolarHBondContact OG1-CE2 3.1Å; T2245-N2274 WeakPolarHBondContact CB-ND2 3.48Å; T2245-N2274 PolarHBondContact N-O 3.17Å; T2245-N2274 VanDerWaalsContact N-O 3.16Å; T2245-N2274 PolarHBondContact O-N 3.01Å; T2245-N2274 PolarHBondContact OG1-ND2 2.93Å; T2245-N2274 VanDerWaalsContact OG1-ND2 3.16Å; T2245-N2274 PolarHBondContact OG1-O 3.03Å
2246	I	33.6	Very low	33.4	Very low	78.6 Å²	78.6	82.1 Å²	82.1	40%	0.403	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.7	-179.4	-60	172.4	0	0	0	109.6	K2206 I2208 I2238 N2239 L2241 K2271 I2273 N2274 S2275 L2282	K2206-I2246 HydrophobicContact CG-CG2 4.35Å; I2208-I2246 HydrophobicContact CG2-CG1 4.45Å; I2238-I2246 WeakPolarHBondContact CA-O 3.18Å; N2239-I2246 HydrophobicContact CB-CB 4.37Å; N2239-I2246 PolarHBondContact N-O 3.21Å; N2239-I2246 PolarHBondContact O-N 2.87Å; L2241-I2246 HydrophobicContact CD1-CD1 3.86Å; I2246-K2271 HydrophobicContact CG2-CG 4.35Å; I2246-I2273 HydrophobicContact CG1-CG1 4.45Å; I2246-I2273 HydrophobicContact CG1-CG2 4.35Å; I2246-N2274 PolarHBondContact O-ND2 2.95Å; I2246-N2274 PolarHBondContact O-OD1 2.82Å; I2246-N2274 VanDerWaalsContact O-OD1 3.14Å; I2246-S2275 PolarHBondContact O-N 3.01Å; I2246-L2282 HydrophobicContact CD1-CD1 4.43Å; I2246-L2282 HydrophobicContact CD1-CG 4.26Å; I2246-L2282 HydrophobicContact CG1-CD1 4.3Å; I2246-L2282 HydrophobicContact CG1-CG 4.13Å; I2246-L2282 HydrophobicContact CG2-CD2 3.86Å; I2246-L2282 HydrophobicContact CG2-CG 3.91Å
2247	Y	36	Very low	33.1	Very low	42.6 Å²	42.6	83.5 Å²	83.5	17%	0.167	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.9	-167.6	-63.9	-82	0	0	0	110.7	I2205 K2206 K2207 I2209 H2216 I2218 I2238 L2241 T2245 K2271 L2272 I2273 N2274 N2276 K2277 N2284 F2286 L2309	I2205-Y2247 HydrophobicContact CG2-CE1 4.35Å; K2206-Y2247 WeakPolarHBondContact CA-O 3.31Å; K2207-Y2247 PolarHBondContact N-O 2.78Å; K2207-Y2247 PolarHBondContact O-N 2.93Å; I2209-Y2247 HydrophobicContact CB-CD2 4.28Å; I2209-Y2247 HydrophobicContact CB-CE2 3.88Å; I2209-Y2247 HydrophobicContact CD1-CD2 3.39Å; I2209-Y2247 HydrophobicContact CD1-CE2 3.13Å; I2209-Y2247 HydrophobicContact CD1-CG 4.45Å; I2209-Y2247 HydrophobicContact CG1-CD2 3.62Å; I2209-Y2247 HydrophobicContact CG1-CE2 3.57Å; H2216-Y2247 HydrophobicContact CB-CE1 3.76Å; H2216-Y2247 AromaticContact CD2-CE1 3.5Å; H2216-Y2247 VanDerWaalsContact CD2-CE1 3.5Å; H2216-Y2247 WeakPolarHBondContact CD2-CE1 3.39Å; H2216-Y2247 AromaticContact CD2-CZ 3.56Å; H2216-Y2247 PolarHBondContact CD2-OH 2.96Å; H2216-Y2247 AromaticContact CG-CE1 3.96Å; I2218-Y2247 HydrophobicContact CD1-CD1 3.96Å; I2218-Y2247 HydrophobicContact CD1-CG 4.45Å; I2238-Y2247 CarbonylContact C-O 3.48Å; I2238-Y2247 VanDerWaalsContact C-O 3.32Å; I2238-Y2247 WeakPolarHBondContact CB-O 3.24Å; I2238-Y2247 HydrophobicContact CG1-CD1 3.86Å; I2238-Y2247 HydrophobicContact CG1-CE1 4.13Å; I2238-Y2247 HydrophobicContact CG2-CD1 4.45Å; I2238-Y2247 HydrophobicContact CG2-CE1 4.16Å; I2238-Y2247 PolarHBondContact N-O 3.15Å; I2238-Y2247 CarbonylContact O-C 3.58Å; I2238-Y2247 PolarHBondContact O-N 3.1Å; L2241-Y2247 HydrophobicContact CB-CD2 4.17Å; L2241-Y2247 HydrophobicContact CB-CE2 4.01Å; L2241-Y2247 HydrophobicContact CD1-CD2 3.62Å; L2241-Y2247 HydrophobicContact CD1-CE2 3.82Å; L2241-Y2247 HydrophobicContact CG-CD2 4.45Å; T2245-Y2247 WeakPolarHBondContact OG1-CE2 3.1Å; Y2247-K2271 WeakPolarHBondContact O-CA 3.4Å; Y2247-L2272 VanDerWaalsContact CD1-C 3.44Å; Y2247-L2272 HydrophobicContact CD1-CB 3.74Å; Y2247-L2272 HydrophobicContact CD1-CD1 3.63Å; Y2247-L2272 HydrophobicContact CD1-CD2 3.91Å; Y2247-L2272 HydrophobicContact CD1-CG 4.42Å; Y2247-L2272 HydrophobicContact CD2-CB 4.19Å; Y2247-L2272 HydrophobicContact CD2-CD1 4.25Å; Y2247-L2272 WeakPolarHBondContact CD2-O 3.27Å; Y2247-L2272 HydrophobicContact CE1-CB 4Å; Y2247-L2272 HydrophobicContact CE1-CD1 3.84Å; Y2247-L2272 HydrophobicContact CE1-CD2 3.72Å; Y2247-L2272 HydrophobicContact CE1-CG 4.32Å; Y2247-L2272 HydrophobicContact CE2-CD1 4.43Å; Y2247-L2272 HydrophobicContact CG-CB 4.3Å; Y2247-L2272 HydrophobicContact CG-CD1 3.85Å; Y2247-L2272 PolarHBondContact N-O 2.83Å; Y2247-L2272 PolarHBondContact O-N 3Å; Y2247-I2273 CarbonylContact C-O 3.48Å; Y2247-I2273 WeakPolarHBondContact CA-O 3.41Å; Y2247-I2273 VanDerWaalsContact CB-O 3.31Å; Y2247-I2273 WeakPolarHBondContact CB-O 3.45Å; Y2247-I2273 WeakPolarHBondContact CD1-O 3.21Å; Y2247-N2274 HydrophobicContact CD1-CB 3.96Å; Y2247-N2274 HydrophobicContact CE1-CB 3.91Å; Y2247-N2274 VanDerWaalsContact CE1-ND2 3.35Å; Y2247-N2274 WeakPolarHBondContact CE1-ND2 3.42Å; Y2247-N2274 HydrophobicContact CE2-CB 4.42Å; Y2247-N2274 WeakPolarHBondContact CE2-ND2 3.36Å; Y2247-N2274 PolarHBondContact OH-ND2 2.96Å; Y2247-N2276 HydrophobicContact CD1-CB 4.48Å; Y2247-N2276 HydrophobicContact CE1-CB 4.1Å; Y2247-N2276 WeakPolarHBondContact CE1-O 3.45Å; Y2247-K2277 HydrophobicContact CD1-CG 3.96Å; Y2247-K2277 HydrophobicContact CD2-CD 4.12Å; Y2247-K2277 HydrophobicContact CD2-CG 4.13Å; Y2247-K2277 HydrophobicContact CE1-CB 4.22Å; Y2247-K2277 HydrophobicContact CE1-CG 4.03Å; Y2247-K2277 HydrophobicContact CE2-CD 4.23Å; Y2247-K2277 HydrophobicContact CE2-CG 4.19Å; Y2247-K2277 HydrophobicContact CG-CD 4.43Å; Y2247-K2277 HydrophobicContact CG-CG 4.03Å; Y2247-N2284 PolarHBondContact OH-ND2 2.74Å; Y2247-F2286 HydrophobicContact CD1-CE1 4.33Å; Y2247-F2286 HydrophobicContact CD1-CE2 4.42Å; Y2247-F2286 AromaticContact CD1-CZ 3.75Å; Y2247-F2286 HydrophobicContact CD1-CZ 3.75Å; Y2247-F2286 AromaticContact CE1-CE1 3.82Å; Y2247-F2286 HydrophobicContact CE1-CE1 3.82Å; Y2247-F2286 HydrophobicContact CE1-CE2 4.25Å; Y2247-F2286 AromaticContact CE1-CZ 3.89Å; Y2247-F2286 HydrophobicContact CE1-CZ 4.06Å; Y2247-F2286 HydrophobicContact CG-CZ 4.32Å; Y2247-L2309 HydrophobicContact CD1-CD2 3.86Å; Y2247-L2309 HydrophobicContact CE1-CD2 4.34Å
2248	Q	34.6	Very low	33	Very low	82 Å²	82	84.9 Å²	84.9	38%	0.383	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.2	171.1	-157.2	177.8	16.2	0	0	112	E2204 I2205 I2236 E2237 K2250 I2273 N2274 S2275	E2204-Q2248 HydrophobicContact CG-CG 4.4Å; E2204-Q2248 PolarHBondContact OE1-NE2 2.75Å; I2205-Q2248 WeakPolarHBondContact O-CA 3.27Å; I2236-Q2248 CarbonylContact C-O 3.52Å; I2236-Q2248 WeakPolarHBondContact CA-O 3.2Å; E2237-Q2248 HydrophobicContact CB-CB 4.02Å; E2237-Q2248 HydrophobicContact CG-CG 4.24Å; E2237-Q2248 PolarHBondContact N-O 2.9Å; E2237-Q2248 PolarHBondContact O-N 2.9Å; E2237-Q2248 PolarHBondContact OE1-NE2 2.92Å; E2237-Q2248 PolarHBondContact OE2-OE1 2.81Å; Q2248-K2250 HydrophobicContact CG-CG 4.39Å; Q2248-I2273 PolarHBondContact N-O 2.9Å; Q2248-N2274 PolarHBondContact N-O 3.19Å; Q2248-S2275 WeakPolarHBondContact CB-OG 3.48Å
2249	L	35.9	Very low	32.7	Very low	33 Å²	33	88.6 Å²	88.6	17%	0.173	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.3	175.9	-129.2	155.2	0	0	0	111.2	F2203 E2204 I2205 N2215 I2218 V2220 Q2234 I2235 I2236 N2251 L2268 S2269 I2270 K2271 L2285	F2203-L2249 HydrophobicContact CD1-CD1 4.41Å; F2203-L2249 HydrophobicContact CE1-CD1 4.32Å; E2204-L2249 CarbonylContact C-O 3.59Å; E2204-L2249 WeakPolarHBondContact CA-O 3.38Å; I2205-L2249 HydrophobicContact CB-CB 4.4Å; I2205-L2249 HydrophobicContact CB-CD2 4.33Å; I2205-L2249 HydrophobicContact CD1-CD2 4.11Å; I2205-L2249 HydrophobicContact CG1-CD2 4.23Å; I2205-L2249 PolarHBondContact N-O 2.87Å; I2205-L2249 PolarHBondContact O-N 2.82Å; N2215-L2249 HydrophobicContact CB-CD1 4.47Å; N2215-L2249 WeakPolarHBondContact OD1-CB 3.48Å; N2215-L2249 WeakPolarHBondContact OD1-CD2 3.29Å; I2218-L2249 HydrophobicContact CB-CD1 4.38Å; I2218-L2249 HydrophobicContact CD1-CD1 3.83Å; I2218-L2249 HydrophobicContact CD1-CG 4.45Å; I2218-L2249 HydrophobicContact CG2-CD1 3.75Å; V2220-L2249 HydrophobicContact CG2-CD1 4.13Å; V2220-L2249 HydrophobicContact CG2-CD2 4.25Å; Q2234-L2249 VanDerWaalsContact OE1-CD2 3.25Å; I2235-L2249 WeakPolarHBondContact O-CA 3.34Å; I2236-L2249 CarbonylContact O-C 3.59Å; I2236-L2249 VanDerWaalsContact O-C 3.3Å; I2236-L2249 PolarHBondContact O-N 3.25Å; L2249-N2251 HydrophobicContact CD2-CB 4.07Å; L2249-N2251 VanDerWaalsContact CD2-CG 3.42Å; L2249-N2251 WeakPolarHBondContact CD2-OD1 3.48Å; L2249-N2251 PolarHBondContact O-N 2.66Å; L2249-L2268 HydrophobicContact CD1-CD2 4.17Å; L2249-S2269 WeakPolarHBondContact O-CA 3.34Å; L2249-I2270 HydrophobicContact CB-CB 4.35Å; L2249-I2270 HydrophobicContact CD1-CD1 2.93Å; L2249-I2270 HydrophobicContact CD1-CG1 4.39Å; L2249-I2270 HydrophobicContact CG-CD1 4.41Å; L2249-I2270 PolarHBondContact N-O 2.83Å; L2249-I2270 PolarHBondContact O-N 3.01Å; L2249-K2271 HydrophobicContact CD2-CB 4.34Å; L2249-K2271 WeakPolarHBondContact CD2-O 3.36Å; L2249-K2271 WeakPolarHBondContact CG-O 3.47Å; L2249-L2285 HydrophobicContact CB-CB 4.36Å; L2249-L2285 HydrophobicContact CB-CD2 4.19Å; L2249-L2285 VanDerWaalsContact CD1-O 3.28Å; L2249-L2285 WeakPolarHBondContact CD1-O 3.34Å
2250	K	32.9	Very low	32.7	Very low	118.8 Å²	118.8	90.3 Å²	90.3	52%	0.517	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.9	178.1	-69.6	-179.4	178.7	174	0	110.5	F2203 E2204 Q2234 I2235 E2237 Q2248 Y2252 Y2308	F2203-K2250 CarbonylContact O-C 3.57Å; F2203-K2250 WeakPolarHBondContact O-CA 3.5Å; E2204-K2250 HydrophobicContact CG-CG 4.1Å; Q2234-K2250 CarbonylContact C-O 3.17Å; Q2234-K2250 WeakPolarHBondContact CA-O 3.14Å; I2235-K2250 HydrophobicContact CB-CB 4.15Å; I2235-K2250 PolarHBondContact N-O 3.21Å; I2235-K2250 PolarHBondContact O-N 2.89Å; E2237-K2250 VanDerWaalsContact CD-NZ 3.26Å; E2237-K2250 IonicContact OE1-NZ 3.78Å; E2237-K2250 PolarHBondContact OE1-NZ 3.34Å; E2237-K2250 IonicContact OE2-NZ 3.77Å; E2237-K2250 PolarHBondContact OE2-NZ 3.39Å; E2237-K2250 VanDerWaalsContact OE2-NZ 3.07Å; Q2248-K2250 HydrophobicContact CG-CG 4.39Å; K2250-Y2252 HydrophobicContact CB-CE2 4.39Å; K2250-Y2308 HydrophobicContact CB-CD2 4.16Å; K2250-Y2308 HydrophobicContact CB-CE2 4.15Å; K2250-Y2308 HydrophobicContact CD-CD2 4.11Å; K2250-Y2308 HydrophobicContact CD-CE2 3.94Å; K2250-Y2308 HydrophobicContact CG-CD2 4.33Å; K2250-Y2308 HydrophobicContact CG-CE2 4.46Å
2251	N	31.9	Very low	32.6	Very low	41.6 Å²	41.6	91.7 Å²	91.7	22%	0.222	45%	0.447	C	S	.	.			trans	-91.1	136.8	171.7	-74.5	-7.4	0	0	0	110.6	F2203 Y2232 L2233 Q2234 L2249 L2268 K2271 T2287	F2203-N2251 HydrophobicContact CB-CB 4.19Å; F2203-N2251 PolarHBondContact N-O 3.27Å; F2203-N2251 PolarHBondContact O-N 2.82Å; Y2232-N2251 PolarHBondContact OH-ND2 3.04Å; Y2232-N2251 PolarHBondContact OH-OD1 3.23Å; L2233-N2251 CarbonylContact O-C 3.57Å; L2233-N2251 WeakPolarHBondContact O-CA 3.32Å; Q2234-N2251 VanDerWaalsContact CG-OD1 3.23Å; Q2234-N2251 WeakPolarHBondContact CG-OD1 3.23Å; L2249-N2251 HydrophobicContact CD2-CB 4.07Å; L2249-N2251 VanDerWaalsContact CD2-CG 3.42Å; L2249-N2251 WeakPolarHBondContact CD2-OD1 3.48Å; L2249-N2251 PolarHBondContact O-N 2.66Å; N2251-L2268 PolarHBondContact N-O 3.03Å; N2251-L2268 PolarHBondContact O-N 2.81Å; N2251-K2271 WeakPolarHBondContact OD1-CE 2.87Å; N2251-K2271 PolarHBondContact OD1-NZ 2.81Å; N2251-T2287 WeakPolarHBondContact ND2-CB 3.33Å; N2251-T2287 WeakPolarHBondContact ND2-CG2 3.33Å; N2251-T2287 PolarHBondContact ND2-OG1 3.14Å
2252	Y	31.3	Very low	32.7	Very low	152.8 Å²	152.8	92.6 Å²	92.6	60%	0.599	45%	0.452	S	S	*	.			trans	-120.8	124.1	149.6	-90.6	-91.7	0	0	0	108.4	K2200 F2202 L2233 K2250 N2267	K2200-Y2252 WeakPolarHBondContact CD-OH 3.39Å; F2202-Y2252 AromaticContact CD1-CD2 3.75Å; F2202-Y2252 HydrophobicContact CD1-CD2 3.75Å; F2202-Y2252 HydrophobicContact CD1-CG 4.45Å; F2202-Y2252 AromaticContact CD2-CD2 3.45Å; F2202-Y2252 HydrophobicContact CD2-CD2 3.45Å; F2202-Y2252 VanDerWaalsContact CD2-CD2 3.45Å; F2202-Y2252 AromaticContact CD2-CE2 3.63Å; F2202-Y2252 HydrophobicContact CD2-CE2 3.63Å; F2202-Y2252 AromaticContact CE1-CD2 3.43Å; F2202-Y2252 HydrophobicContact CE1-CD2 3.43Å; F2202-Y2252 VanDerWaalsContact CE1-CD2 3.43Å; F2202-Y2252 HydrophobicContact CE1-CE2 4.28Å; F2202-Y2252 AromaticContact CE1-CG 3.99Å; F2202-Y2252 HydrophobicContact CE1-CG 3.99Å; F2202-Y2252 AromaticContact CE2-CD2 3.12Å; F2202-Y2252 HydrophobicContact CE2-CD2 3.12Å; F2202-Y2252 AromaticContact CE2-CE2 3.13Å; F2202-Y2252 HydrophobicContact CE2-CE2 3.13Å; F2202-Y2252 HydrophobicContact CE2-CG 4.31Å; F2202-Y2252 AromaticContact CG-CD2 3.76Å; F2202-Y2252 HydrophobicContact CG-CD2 3.76Å; F2202-Y2252 HydrophobicContact CG-CE2 4.39Å; F2202-Y2252 AromaticContact CZ-CD2 3.1Å; F2202-Y2252 HydrophobicContact CZ-CD2 3.1Å; F2202-Y2252 AromaticContact CZ-CE2 3.51Å; F2202-Y2252 HydrophobicContact CZ-CE2 3.51Å; F2202-Y2252 AromaticContact CZ-CG 3.91Å; F2202-Y2252 HydrophobicContact CZ-CG 3.91Å; L2233-Y2252 HydrophobicContact CD1-CD1 4.3Å; L2233-Y2252 HydrophobicContact CD1-CE1 4.38Å; L2233-Y2252 HydrophobicContact CD2-CE1 4.5Å; L2233-Y2252 HydrophobicContact CG-CD1 4.38Å; L2233-Y2252 PolarHBondContact N-O 3.01Å; L2233-Y2252 PolarHBondContact O-N 3.42Å; K2250-Y2252 HydrophobicContact CB-CE2 4.39Å; Y2252-N2267 WeakPolarHBondContact CD1-OD1 3.45Å
2253	L	32.1	Very low	32.8	Very low	51.8 Å²	51.8	91.9 Å²	91.9	27%	0.271	45%	0.448	S	S	.	.			trans	-123.5	108.5	176.3	-130.4	155.4	0	0	0	108.5	I2201 F2203 L2222 L2229 Y2232 I2255 Y2266 N2289 F2290	I2201-L2253 HydrophobicContact CD1-CD1 3.81Å; I2201-L2253 PolarHBondContact N-O 2.9Å; I2201-L2253 PolarHBondContact O-N 3.17Å; F2203-L2253 HydrophobicContact CD2-CD1 4.04Å; F2203-L2253 HydrophobicContact CE2-CD1 4.38Å; L2222-L2253 HydrophobicContact CD1-CD1 3.68Å; L2222-L2253 HydrophobicContact CD1-CD2 4.08Å; L2222-L2253 HydrophobicContact CD1-CG 4.43Å; L2222-L2253 HydrophobicContact CD2-CD1 4.32Å; L2222-L2253 HydrophobicContact CD2-CD2 3.9Å; L2229-L2253 HydrophobicContact CD2-CD2 3.75Å; Y2232-L2253 HydrophobicContact CD2-CD2 3.62Å; Y2232-L2253 HydrophobicContact CD2-CG 4.05Å; Y2232-L2253 HydrophobicContact CE2-CD2 3.93Å; Y2232-L2253 HydrophobicContact CE2-CG 4.15Å; L2253-I2255 HydrophobicContact CD2-CD1 4.04Å; L2253-I2255 HydrophobicContact CD2-CG1 3.93Å; L2253-Y2266 WeakPolarHBondContact CB-O 3.35Å; L2253-Y2266 PolarHBondContact N-O 3.29Å; L2253-Y2266 VanDerWaalsContact N-O 3.1Å; L2253-Y2266 PolarHBondContact O-N 3.08Å; L2253-N2289 HydrophobicContact CD1-CB 4.31Å; L2253-F2290 HydrophobicContact CD1-CD1 4.08Å; L2253-F2290 HydrophobicContact CD1-CE1 3.24Å; L2253-F2290 HydrophobicContact CD1-CZ 3.64Å
2254	Y	27.8	Very low	32.9	Very low	125.6 Å²	125.6	86.1 Å²	86.1	49%	0.493	42%	0.424	S	S	.	.			trans	-100.8	114.8	178	-159.1	-96.8	0	0	0	108.4	K2200 G2230 N2231 I2256 I2265 H2573	K2200-Y2254 HydrophobicContact CB-CD2 4.43Å; K2200-Y2254 HydrophobicContact CD-CD2 4.15Å; K2200-Y2254 HydrophobicContact CD-CE2 4.17Å; K2200-Y2254 VanDerWaalsContact CE-CE2 3.45Å; K2200-Y2254 HydrophobicContact CG-CD2 3.26Å; K2200-Y2254 HydrophobicContact CG-CE2 3.61Å; K2200-Y2254 HydrophobicContact CG-CG 4.34Å; G2230-Y2254 WeakPolarHBondContact CA-O 3.31Å; G2230-Y2254 PolarHBondContact N-O 2.8Å; N2231-Y2254 HydrophobicContact CB-CE2 4.11Å; N2231-Y2254 VanDerWaalsContact CG-OH 3.22Å; N2231-Y2254 WeakPolarHBondContact ND2-CE2 3.34Å; N2231-Y2254 PolarHBondContact ND2-OH 3.13Å; N2231-Y2254 WeakPolarHBondContact OD1-CE2 3.43Å; N2231-Y2254 PolarHBondContact OD1-OH 3.3Å; Y2254-I2256 HydrophobicContact CD1-CD1 4.18Å; Y2254-I2256 HydrophobicContact CD1-CG1 3.73Å; Y2254-I2256 HydrophobicContact CD1-CG2 4.07Å; Y2254-I2256 HydrophobicContact CE1-CD1 3.87Å; Y2254-I2256 HydrophobicContact CE1-CG1 3.72Å; Y2254-I2256 HydrophobicContact CE1-CG2 4.11Å; Y2254-I2256 HydrophobicContact CE2-CG1 4.45Å; Y2254-I2256 HydrophobicContact CG-CG1 4.41Å; Y2254-I2256 PolarHBondContact O-N 3.11Å; Y2254-I2265 HydrophobicContact CD2-CG1 4.05Å; Y2254-I2265 HydrophobicContact CE2-CD1 4.07Å; Y2254-I2265 HydrophobicContact CE2-CG1 3.76Å; Y2254-H2573 AromaticContact CD1-CD2 3.7Å; Y2254-H2573 AromaticContact CD1-NE2 3.5Å; Y2254-H2573 WeakPolarHBondContact CD1-NE2 3.25Å; Y2254-H2573 AromaticContact CE1-CD2 3.51Å; Y2254-H2573 AromaticContact CE1-NE2 3.75Å
2255	I	32.3	Very low	32.9	Very low	43.2 Å²	43.2	82.7 Å²	82.7	22%	0.222	41%	0.409	C	S	.	.			trans	-101.2	105.9	175.8	-59.3	172.5	0	0	0	107.5	I2195 Y2199 D2224 L2229 L2253 N2257 Y2266 N2267 Y2291 L2292	I2195-I2255 HydrophobicContact CD1-CD1 3.55Å; Y2199-I2255 PolarHBondContact O-N 3.31Å; D2224-I2255 WeakPolarHBondContact OD2-CG2 3.32Å; L2229-I2255 HydrophobicContact CD2-CG1 4.03Å; L2253-I2255 HydrophobicContact CD2-CD1 4.04Å; L2253-I2255 HydrophobicContact CD2-CG1 3.93Å; I2255-N2257 HydrophobicContact CG2-CB 4.34Å; I2255-N2257 PolarHBondContact O-N 3.15Å; I2255-Y2266 HydrophobicContact CD1-CD2 3.95Å; I2255-Y2266 HydrophobicContact CD1-CE1 4.24Å; I2255-Y2266 HydrophobicContact CD1-CE2 4.18Å; I2255-Y2266 HydrophobicContact CG1-CD2 4.43Å; I2255-N2267 HydrophobicContact CD1-CB 3.46Å; I2255-N2267 VanDerWaalsContact CD1-CB 3.46Å; I2255-N2267 WeakPolarHBondContact CD1-ND2 3.46Å; I2255-N2267 WeakPolarHBondContact CG1-ND2 3.14Å; I2255-N2267 WeakPolarHBondContact CG2-ND2 3.31Å; I2255-Y2291 HydrophobicContact CD1-CD1 4.49Å; I2255-Y2291 HydrophobicContact CD1-CD2 3.46Å; I2255-Y2291 VanDerWaalsContact CD1-CD2 3.46Å; I2255-Y2291 HydrophobicContact CD1-CE2 4.14Å; I2255-Y2291 HydrophobicContact CD1-CG 3.66Å; I2255-Y2291 HydrophobicContact CG1-CD2 4.49Å; I2255-L2292 HydrophobicContact CD1-CD2 4.12Å
2256	I	29	Very low	33.1	Very low	84 Å²	84	82.4 Å²	82.4	43%	0.431	40%	0.402	S	S	.	.			trans	-85.8	103.5	170	-40.1	175.2	0	0	0	107.7	I2227 K2228 Y2254 N2258 D2571 H2573	I2227-I2256 CarbonylContact O-C 3.38Å; I2227-I2256 VanDerWaalsContact O-C 3.28Å; K2228-I2256 HydrophobicContact CB-CB 4.44Å; K2228-I2256 VanDerWaalsContact CB-O 3.28Å; K2228-I2256 WeakPolarHBondContact CB-O 3.43Å; K2228-I2256 PolarHBondContact O-N 2.86Å; Y2254-I2256 HydrophobicContact CD1-CD1 4.18Å; Y2254-I2256 HydrophobicContact CD1-CG1 3.73Å; Y2254-I2256 HydrophobicContact CD1-CG2 4.07Å; Y2254-I2256 HydrophobicContact CE1-CD1 3.87Å; Y2254-I2256 HydrophobicContact CE1-CG1 3.72Å; Y2254-I2256 HydrophobicContact CE1-CG2 4.11Å; Y2254-I2256 HydrophobicContact CE2-CG1 4.45Å; Y2254-I2256 HydrophobicContact CG-CG1 4.41Å; Y2254-I2256 PolarHBondContact O-N 3.11Å; I2256-N2258 VanDerWaalsContact C-N 3.27Å; I2256-N2258 VanDerWaalsContact CG2-OD1 3.32Å; I2256-N2258 WeakPolarHBondContact CG2-OD1 3.27Å; I2256-N2258 PolarHBondContact O-N 3.21Å; I2256-D2571 WeakPolarHBondContact CD1-OD2 3.34Å; I2256-H2573 WeakPolarHBondContact CG2-CE1 3.21Å
2257	N	31.3	Very low	33.2	Very low	67.6 Å²	67.6	81.8 Å²	81.8	36%	0.361	40%	0.4	S	S	.	.			trans	-85.4	108.5	171.4	-151.9	20.4	0	0	0	109	K2198 Q2226 I2227 I2255 N2259 N2293 L2294	K2198-N2257 HydrophobicContact CD-CB 4.31Å; K2198-N2257 WeakPolarHBondContact CE-O 3.23Å; K2198-N2257 HydrophobicContact CG-CB 3.43Å; K2198-N2257 VanDerWaalsContact CG-CB 3.43Å; Q2226-N2257 WeakPolarHBondContact CB-OD1 3.23Å; Q2226-N2257 PolarHBondContact O-OD1 2.87Å; Q2226-N2257 PolarHBondContact OE1-ND2 2.76Å; I2227-N2257 WeakPolarHBondContact O-CA 3.21Å; I2255-N2257 HydrophobicContact CG2-CB 4.34Å; I2255-N2257 PolarHBondContact O-N 3.15Å; N2257-N2259 PolarHBondContact ND2-OD1 3.32Å; N2257-N2259 PolarHBondContact O-N 3.25Å; N2257-N2293 PolarHBondContact ND2-ND2 3.38Å; N2257-L2294 HydrophobicContact CB-CD1 4.38Å; N2257-L2294 WeakPolarHBondContact ND2-CD2 3.17Å
2258	N	29.6	Very low	33.4	Very low	112.2 Å²	112.2	81 Å²	81	60%	0.6	40%	0.398	S	S	*	.			trans	-90.9	68.3	178.7	-86.1	-7.3	0	0	0	111.1	I2227 I2256 N2260 Q2605 L2636	I2227-N2258 HydrophobicContact CB-CB 4.3Å; I2227-N2258 WeakPolarHBondContact CB-O 2.97Å; I2227-N2258 HydrophobicContact CG2-CB 3.97Å; I2256-N2258 VanDerWaalsContact C-N 3.27Å; I2256-N2258 VanDerWaalsContact CG2-OD1 3.32Å; I2256-N2258 WeakPolarHBondContact CG2-OD1 3.27Å; I2256-N2258 PolarHBondContact O-N 3.21Å; N2258-N2260 PolarHBondContact O-N 3.14Å; N2258-Q2605 PolarHBondContact ND2-NE2 2.89Å; N2258-L2636 HydrophobicContact CB-CD2 3.81Å; N2258-L2636 WeakPolarHBondContact OD1-CD2 3.25Å
2259	N	29.4	Very low	33.6	Very low	114 Å²	114	78.7 Å²	78.7	61%	0.61	39%	0.392	S	S	*	.	S	Bend	trans	-84.6	118.4	-175.2	-57.4	-5.3	0	0	0	112.3	N2257 L2636 L2664	N2257-N2259 PolarHBondContact ND2-OD1 3.32Å; N2257-N2259 PolarHBondContact O-N 3.25Å; N2259-L2636 PolarHBondContact ND2-O 2.92Å; N2259-L2636 WeakPolarHBondContact OD1-CA 3.46Å; N2259-L2636 WeakPolarHBondContact OD1-CB 3.46Å; N2259-L2636 WeakPolarHBondContact OD1-CD2 3.4Å; N2259-L2636 PolarHBondContact OD1-O 2.97Å; N2259-L2664 HydrophobicContact CB-CB 4.28Å; N2259-L2664 HydrophobicContact CB-CD1 4.38Å; N2259-L2664 VanDerWaalsContact O-CD1 3.29Å; N2259-L2664 WeakPolarHBondContact O-CD1 3.49Å; N2259-L2664 WeakPolarHBondContact O-CD2 3.28Å
2260	N	33.8	Very low	33.8	Very low	108.8 Å²	108.8	78.4 Å²	78.4	58%	0.582	39%	0.39	S	S	*	.			trans	-167.6	12.3	165.7	-92.1	-13.7	0	0	0	113.3	I2227 N2258 N2262 Y2663 L2664 S2665 Q2668 K2669	I2227-N2260 HydrophobicContact CD1-CB 3.58Å; N2258-N2260 PolarHBondContact O-N 3.14Å; N2260-N2262 PolarHBondContact O-N 3.09Å; N2260-N2262 VanDerWaalsContact O-N 3.11Å; N2260-Y2663 PolarHBondContact OD1-O 3.06Å; N2260-L2664 HydrophobicContact CB-CB 3.78Å; N2260-L2664 HydrophobicContact CB-CD2 3.7Å; N2260-L2664 HydrophobicContact CB-CG 4.25Å; N2260-L2664 VanDerWaalsContact OD1-CA 3.23Å; N2260-L2664 WeakPolarHBondContact OD1-CA 3.49Å; N2260-S2665 PolarHBondContact OD1-N 2.93Å; N2260-S2665 PolarHBondContact OD1-O 2.73Å; N2260-S2665 VanDerWaalsContact OD1-O 3.12Å; N2260-Q2668 VanDerWaalsContact ND2-C 3.34Å; N2260-Q2668 VanDerWaalsContact OD1-C 3.29Å; N2260-Q2668 PolarHBondContact OD1-O 3.13Å; N2260-K2669 WeakPolarHBondContact ND2-CA 3.24Å; N2260-K2669 WeakPolarHBondContact ND2-CB 3.37Å; N2260-K2669 PolarHBondContact ND2-N 2.84Å; N2260-K2669 WeakPolarHBondContact OD1-CA 3.4Å; N2260-K2669 PolarHBondContact OD1-N 2.94Å
2261	D	33.1	Very low	34	Very low	119.4 Å²	119.4	75.9 Å²	75.9	64%	0.639	38%	0.379	S	S	*	.	S	Bend	trans	-85.5	111.9	175.9	-65	-34.8	0	0	0	112.4	Y1954 Q2226 N2263	Y1954-D2261 PolarHBondContact OH-O 3.38Å; Q2226-D2261 PolarHBondContact NE2-OD1 2.9Å; Q2226-D2261 VanDerWaalsContact NE2-OD1 3.14Å; D2261-N2263 WeakPolarHBondContact CB-ND2 3.44Å; D2261-N2263 PolarHBondContact O-N 3.26Å
2262	N	34.8	Very low	34.3	Very low	104.8 Å²	104.8	75.5 Å²	75.5	56%	0.56	38%	0.377	S	S	*	.			trans	-127.4	84.5	169.9	-73	-52.2	0	0	0	113.9	Y1954 K2225 I2227 N2260 H2264 L2294 E2666 N2667	Y1954-N2262 WeakPolarHBondContact OH-CA 3.49Å; Y1954-N2262 PolarHBondContact OH-N 2.98Å; K2225-N2262 CarbonylContact C-O 3.55Å; K2225-N2262 CarbonylContact O-C 3.54Å; K2225-N2262 PolarHBondContact O-N 3.35Å; I2227-N2262 HydrophobicContact CD1-CB 3.81Å; I2227-N2262 HydrophobicContact CG1-CB 4.25Å; N2260-N2262 PolarHBondContact O-N 3.09Å; N2260-N2262 VanDerWaalsContact O-N 3.11Å; N2262-H2264 VanDerWaalsContact CB-NE2 3.28Å; N2262-H2264 WeakPolarHBondContact CB-NE2 3.3Å; N2262-H2264 PolarHBondContact O-CD2 3.14Å; N2262-H2264 PolarHBondContact O-CE1 2.74Å; N2262-H2264 PolarHBondContact O-N 2.99Å; N2262-H2264 VanDerWaalsContact O-N 3.11Å; N2262-H2264 PolarHBondContact O-ND1 2.68Å; N2262-H2264 VanDerWaalsContact O-ND1 3.1Å; N2262-H2264 PolarHBondContact O-NE2 3.34Å; N2262-L2294 HydrophobicContact CB-CD1 4.45Å; N2262-L2294 WeakPolarHBondContact OD1-CD2 3.37Å; N2262-E2666 PolarHBondContact ND2-O 3.42Å; N2262-E2666 PolarHBondContact OD1-O 2.78Å; N2262-N2667 PolarHBondContact ND2-OD1 3.06Å
2263	N	34.6	Very low	34.6	Very low	83.6 Å²	83.6	70.3 Å²	70.3	45%	0.447	36%	0.359	S	S	.	.			trans	-79.7	115.6	179.3	-65.3	-37.1	0	0	0	110.5	Y2223 D2261 I2265	Y2223-N2263 HydrophobicContact CE2-CB 3.89Å; Y2223-N2263 WeakPolarHBondContact OH-CB 3.31Å; Y2223-N2263 VanDerWaalsContact OH-CG 3.26Å; Y2223-N2263 PolarHBondContact OH-ND2 3.17Å; Y2223-N2263 VanDerWaalsContact OH-ND2 3.11Å; D2261-N2263 WeakPolarHBondContact CB-ND2 3.44Å; D2261-N2263 PolarHBondContact O-N 3.26Å; N2263-I2265 PolarHBondContact O-N 2.81Å; N2263-I2265 VanDerWaalsContact O-N 3.14Å
2264	H	37.1	Very low	34.9	Very low	51.4 Å²	51.4	69.9 Å²	69.9	24%	0.238	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.3	178.3	-67.1	-57.6	0	0	0	111.1	D2224 N2262 Y2266 L2294	D2224-H2264 PolarHBondContact N-O 2.79Å; D2224-H2264 PolarHBondContact O-N 2.95Å; N2262-H2264 VanDerWaalsContact CB-NE2 3.28Å; N2262-H2264 WeakPolarHBondContact CB-NE2 3.3Å; N2262-H2264 PolarHBondContact O-CD2 3.14Å; N2262-H2264 PolarHBondContact O-CE1 2.74Å; N2262-H2264 PolarHBondContact O-N 2.99Å; N2262-H2264 VanDerWaalsContact O-N 3.11Å; N2262-H2264 PolarHBondContact O-ND1 2.68Å; N2262-H2264 VanDerWaalsContact O-ND1 3.1Å; N2262-H2264 PolarHBondContact O-NE2 3.34Å; H2264-Y2266 HydrophobicContact CB-CD2 4.26Å; H2264-Y2266 HydrophobicContact CB-CE2 3.71Å; H2264-Y2266 VanDerWaalsContact CB-CE2 3.5Å; H2264-Y2266 WeakPolarHBondContact O-CD2 3.49Å; H2264-Y2266 PolarHBondContact O-N 3.13Å; H2264-L2294 HydrophobicContact CB-CD1 4.16Å; H2264-L2294 WeakPolarHBondContact CE1-CD1 3Å; H2264-L2294 WeakPolarHBondContact ND1-CD1 3.36Å; H2264-L2294 WeakPolarHBondContact NE2-CD2 3.3Å
2265	I	34.2	Very low	35.2	Very low	66.6 Å²	66.6	66.1 Å²	66.1	34%	0.342	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	114.8	175.5	-54	178.1	0	0	0	108.3	N1952 Y2223 Y2254 N2263 N2267	N1952-I2265 HydrophobicContact CB-CD1 4.25Å; N1952-I2265 VanDerWaalsContact ND2-CD1 3.33Å; N1952-I2265 WeakPolarHBondContact ND2-CD1 3.35Å; Y2223-I2265 HydrophobicContact CD1-CG1 4.09Å; Y2223-I2265 HydrophobicContact CD2-CG1 4.15Å; Y2223-I2265 HydrophobicContact CD2-CG2 4.5Å; Y2223-I2265 HydrophobicContact CE1-CD1 3.87Å; Y2223-I2265 HydrophobicContact CE1-CG1 3.77Å; Y2223-I2265 HydrophobicContact CE2-CD1 4.05Å; Y2223-I2265 HydrophobicContact CE2-CG1 3.83Å; Y2223-I2265 HydrophobicContact CE2-CG2 4.38Å; Y2254-I2265 HydrophobicContact CD2-CG1 4.05Å; Y2254-I2265 HydrophobicContact CE2-CD1 4.07Å; Y2254-I2265 HydrophobicContact CE2-CG1 3.76Å; N2263-I2265 PolarHBondContact O-N 2.81Å; N2263-I2265 VanDerWaalsContact O-N 3.14Å; I2265-N2267 WeakPolarHBondContact CG2-OD1 3.36Å; I2265-N2267 PolarHBondContact O-N 3.18Å
2266	Y	39.6	Very low	35.2	Very low	47.4 Å²	47.4	69 Å²	69	19%	0.186	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	106	172.6	-61	-85.7	0	0	0	109.5	S2221 L2222 D2224 L2229 L2253 I2255 H2264 L2268 F2290 L2292 L2294	S2221-Y2266 WeakPolarHBondContact CA-O 3.29Å; L2222-Y2266 HydrophobicContact CB-CD2 4.37Å; L2222-Y2266 PolarHBondContact N-O 3.01Å; L2222-Y2266 WeakPolarHBondContact O-CA 3.36Å; L2222-Y2266 WeakPolarHBondContact O-CB 3.32Å; L2222-Y2266 PolarHBondContact O-N 3.14Å; L2222-Y2266 VanDerWaalsContact O-N 3.12Å; D2224-Y2266 HydrophobicContact CB-CD2 4.49Å; D2224-Y2266 HydrophobicContact CB-CE2 4.11Å; L2229-Y2266 HydrophobicContact CB-CE2 4.25Å; L2229-Y2266 HydrophobicContact CD1-CD1 3.64Å; L2229-Y2266 HydrophobicContact CD1-CD2 4.02Å; L2229-Y2266 HydrophobicContact CD1-CE1 3.13Å; L2229-Y2266 HydrophobicContact CD1-CE2 4.04Å; L2229-Y2266 HydrophobicContact CD1-CG 4.3Å; L2229-Y2266 HydrophobicContact CD2-CD2 4.28Å; L2229-Y2266 HydrophobicContact CD2-CE1 4.06Å; L2229-Y2266 HydrophobicContact CD2-CE2 3.78Å; L2229-Y2266 HydrophobicContact CG-CE1 4.03Å; L2229-Y2266 HydrophobicContact CG-CE2 4.23Å; L2253-Y2266 WeakPolarHBondContact CB-O 3.35Å; L2253-Y2266 PolarHBondContact N-O 3.29Å; L2253-Y2266 VanDerWaalsContact N-O 3.1Å; L2253-Y2266 PolarHBondContact O-N 3.08Å; I2255-Y2266 HydrophobicContact CD1-CD2 3.95Å; I2255-Y2266 HydrophobicContact CD1-CE1 4.24Å; I2255-Y2266 HydrophobicContact CD1-CE2 4.18Å; I2255-Y2266 HydrophobicContact CG1-CD2 4.43Å; H2264-Y2266 HydrophobicContact CB-CD2 4.26Å; H2264-Y2266 HydrophobicContact CB-CE2 3.71Å; H2264-Y2266 VanDerWaalsContact CB-CE2 3.5Å; H2264-Y2266 WeakPolarHBondContact O-CD2 3.49Å; H2264-Y2266 PolarHBondContact O-N 3.13Å; Y2266-L2268 PolarHBondContact O-N 3.07Å; Y2266-F2290 HydrophobicContact CD1-CD1 4.5Å; Y2266-L2292 HydrophobicContact CD1-CD2 3.94Å; Y2266-L2292 VanDerWaalsContact CD1-CD2 3.43Å; Y2266-L2292 HydrophobicContact CD1-CG 4.44Å; Y2266-L2292 HydrophobicContact CE1-CD2 3.76Å; Y2266-L2292 HydrophobicContact CE1-CG 4.13Å; Y2266-L2294 HydrophobicContact CE1-CD1 3.99Å; Y2266-L2294 HydrophobicContact CE2-CD1 4.49Å; Y2266-L2294 WeakPolarHBondContact OH-CD1 3.44Å
2267	N	36.1	Very low	35.5	Very low	66.6 Å²	66.6	72.8 Å²	72.8	36%	0.356	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.9	178.2	-73.1	-24	0	0	0	110.6	S2221 Y2252 I2255 I2265 Y2291	S2221-N2267 VanDerWaalsContact CB-OD1 3.23Å; S2221-N2267 WeakPolarHBondContact CB-OD1 3.38Å; Y2252-N2267 WeakPolarHBondContact CD1-OD1 3.45Å; I2255-N2267 HydrophobicContact CD1-CB 3.46Å; I2255-N2267 VanDerWaalsContact CD1-CB 3.46Å; I2255-N2267 WeakPolarHBondContact CD1-ND2 3.46Å; I2255-N2267 WeakPolarHBondContact CG1-ND2 3.14Å; I2255-N2267 WeakPolarHBondContact CG2-ND2 3.31Å; I2265-N2267 WeakPolarHBondContact CG2-OD1 3.36Å; I2265-N2267 PolarHBondContact O-N 3.18Å; N2267-Y2291 HydrophobicContact CB-CD2 3.89Å; N2267-Y2291 HydrophobicContact CB-CG 4.33Å; N2267-Y2291 PolarHBondContact O-N 3.08Å
2268	L	39.9	Very low	35.7	Very low	24.8 Å²	24.8	78.6 Å²	78.6	13%	0.13	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	102.4	167.6	-174.9	89.1	0	0	0	108.8	I2201 F2203 N2219 V2220 Y2232 I2236 L2249 N2251 Y2266 I2270 L2288 F2290	I2201-L2268 HydrophobicContact CD1-CD2 4.44Å; F2203-L2268 HydrophobicContact CZ-CD2 3.94Å; N2219-L2268 WeakPolarHBondContact CA-O 3.49Å; V2220-L2268 HydrophobicContact CB-CB 4.36Å; V2220-L2268 HydrophobicContact CB-CD2 4.49Å; V2220-L2268 HydrophobicContact CG2-CD2 4.4Å; V2220-L2268 PolarHBondContact N-O 3.05Å; V2220-L2268 CarbonylContact O-C 3.5Å; V2220-L2268 WeakPolarHBondContact O-CA 2.67Å; V2220-L2268 WeakPolarHBondContact O-CB 3.24Å; V2220-L2268 PolarHBondContact O-N 3.17Å; V2220-L2268 VanDerWaalsContact O-N 3.12Å; V2220-L2268 VanDerWaalsContact O-O 3.11Å; Y2232-L2268 WeakPolarHBondContact OH-CD1 3.39Å; I2236-L2268 HydrophobicContact CD1-CD1 4.14Å; I2236-L2268 HydrophobicContact CD1-CD2 3.82Å; I2236-L2268 VanDerWaalsContact CD1-CD2 3.48Å; I2236-L2268 HydrophobicContact CD1-CG 4.47Å; I2236-L2268 HydrophobicContact CG1-CD2 4.46Å; L2249-L2268 HydrophobicContact CD1-CD2 4.17Å; N2251-L2268 PolarHBondContact N-O 3.03Å; N2251-L2268 PolarHBondContact O-N 2.81Å; Y2266-L2268 PolarHBondContact O-N 3.07Å; L2268-I2270 HydrophobicContact CD2-CD1 3.86Å; L2268-I2270 HydrophobicContact CD2-CG1 4.05Å; L2268-I2270 HydrophobicContact CG-CD1 4.45Å; L2268-I2270 HydrophobicContact CG-CG1 4.24Å; L2268-I2270 PolarHBondContact O-N 3.26Å; L2268-L2288 HydrophobicContact CD1-CD2 4.12Å; L2268-F2290 HydrophobicContact CD1-CD1 4.21Å; L2268-F2290 HydrophobicContact CD1-CD2 4.07Å; L2268-F2290 HydrophobicContact CD1-CE1 3.91Å; L2268-F2290 VanDerWaalsContact CD1-CE1 3.48Å; L2268-F2290 HydrophobicContact CD1-CE2 3.78Å; L2268-F2290 HydrophobicContact CD1-CZ 3.59Å
2269	S	38.6	Very low	35.7	Very low	35.2 Å²	35.2	78.9 Å²	78.9	25%	0.246	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.9	171.1	65.9	0	0	0	0	110.4	N2219 L2249 K2271 T2287 N2289	N2219-S2269 VanDerWaalsContact OD1-CB 3.28Å; N2219-S2269 WeakPolarHBondContact OD1-CB 3.18Å; L2249-S2269 WeakPolarHBondContact O-CA 3.34Å; S2269-K2271 VanDerWaalsContact C-N 3.26Å; S2269-K2271 PolarHBondContact O-N 2.75Å; S2269-T2287 VanDerWaalsContact O-O 3.06Å; S2269-N2289 PolarHBondContact N-O 2.97Å; S2269-N2289 PolarHBondContact O-N 2.73Å; S2269-N2289 VanDerWaalsContact O-N 3.13Å; S2269-N2289 VanDerWaalsContact OG-CB 3.3Å; S2269-N2289 WeakPolarHBondContact OG-CB 3.27Å; S2269-N2289 PolarHBondContact OG-ND2 2.96Å
2270	I	39.7	Very low	35.8	Very low	25.2 Å²	25.2	81.6 Å²	81.6	13%	0.129	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	105.3	173	-58	175.3	0	0	0	108	F2203 F2217 I2218 V2220 I2236 L2249 L2268 L2272 T2287 L2288	F2203-I2270 HydrophobicContact CD1-CD1 4.25Å; F2203-I2270 HydrophobicContact CD2-CD1 4.41Å; F2203-I2270 HydrophobicContact CE1-CD1 3.49Å; F2203-I2270 VanDerWaalsContact CE1-CD1 3.49Å; F2203-I2270 HydrophobicContact CE2-CD1 3.67Å; F2203-I2270 HydrophobicContact CZ-CD1 3.18Å; F2217-I2270 WeakPolarHBondContact CA-O 2.84Å; I2218-I2270 CarbonylContact C-O 3.48Å; I2218-I2270 HydrophobicContact CB-CB 4.41Å; I2218-I2270 HydrophobicContact CG2-CB 4.42Å; I2218-I2270 HydrophobicContact CG2-CD1 3.96Å; I2218-I2270 PolarHBondContact N-O 2.87Å; I2218-I2270 CarbonylContact O-C 3.52Å; I2218-I2270 WeakPolarHBondContact O-CA 3.04Å; I2218-I2270 PolarHBondContact O-N 3.01Å; I2218-I2270 VanDerWaalsContact O-N 3.11Å; I2218-I2270 VanDerWaalsContact O-O 3.06Å; V2220-I2270 HydrophobicContact CG2-CD1 3.9Å; I2236-I2270 HydrophobicContact CD1-CD1 3.9Å; L2249-I2270 HydrophobicContact CB-CB 4.35Å; L2249-I2270 HydrophobicContact CD1-CD1 2.93Å; L2249-I2270 HydrophobicContact CD1-CG1 4.39Å; L2249-I2270 HydrophobicContact CG-CD1 4.41Å; L2249-I2270 PolarHBondContact N-O 2.83Å; L2249-I2270 PolarHBondContact O-N 3.01Å; L2268-I2270 HydrophobicContact CD2-CD1 3.86Å; L2268-I2270 HydrophobicContact CD2-CG1 4.05Å; L2268-I2270 HydrophobicContact CG-CD1 4.45Å; L2268-I2270 HydrophobicContact CG-CG1 4.24Å; L2268-I2270 PolarHBondContact O-N 3.26Å; I2270-L2272 HydrophobicContact CG2-CD1 4.47Å; I2270-L2272 HydrophobicContact CG2-CD2 4.27Å; I2270-L2272 HydrophobicContact CG2-CG 4.18Å; I2270-T2287 WeakPolarHBondContact CA-O 3.38Å; I2270-L2288 HydrophobicContact CB-CD2 4.45Å; I2270-L2288 HydrophobicContact CD1-CD2 4.18Å; I2270-L2288 HydrophobicContact CG1-CD2 3.85Å; I2270-L2288 HydrophobicContact CG2-CD2 4.18Å
2271	K	37.2	Very low	35.7	Very low	66.4 Å²	66.4	79.8 Å²	79.8	29%	0.289	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.2	178.3	179.1	-171.4	-174.7	-177.9	0	110.2	F2217 I2246 Y2247 L2249 N2251 S2269 I2273 L2285 T2287	F2217-K2271 HydrophobicContact CD1-CB 4.33Å; F2217-K2271 HydrophobicContact CD1-CD 4.22Å; F2217-K2271 HydrophobicContact CD1-CG 4.04Å; F2217-K2271 HydrophobicContact CE1-CB 3.99Å; F2217-K2271 HydrophobicContact CE1-CD 3.88Å; F2217-K2271 HydrophobicContact CE1-CG 4.03Å; F2217-K2271 HydrophobicContact CZ-CD 4.32Å; F2217-K2271 HydrophobicContact CZ-CG 4.46Å; I2246-K2271 HydrophobicContact CG2-CG 4.35Å; Y2247-K2271 WeakPolarHBondContact O-CA 3.4Å; L2249-K2271 HydrophobicContact CD2-CB 4.34Å; L2249-K2271 WeakPolarHBondContact CD2-O 3.36Å; L2249-K2271 WeakPolarHBondContact CG-O 3.47Å; N2251-K2271 WeakPolarHBondContact OD1-CE 2.87Å; N2251-K2271 PolarHBondContact OD1-NZ 2.81Å; S2269-K2271 VanDerWaalsContact C-N 3.26Å; S2269-K2271 PolarHBondContact O-N 2.75Å; K2271-I2273 HydrophobicContact CD-CD1 3.92Å; K2271-I2273 HydrophobicContact CD-CG1 4.06Å; K2271-I2273 VanDerWaalsContact CE-CD1 3.47Å; K2271-I2273 HydrophobicContact CG-CD1 4.29Å; K2271-I2273 HydrophobicContact CG-CG1 4.24Å; K2271-L2285 VanDerWaalsContact O-O 3.13Å; K2271-T2287 WeakPolarHBondContact CA-OG1 3.37Å; K2271-T2287 VanDerWaalsContact CB-OG1 3.22Å; K2271-T2287 WeakPolarHBondContact CB-OG1 3.26Å; K2271-T2287 HydrophobicContact CD-CG2 4.37Å; K2271-T2287 WeakPolarHBondContact CD-OG1 3.34Å; K2271-T2287 WeakPolarHBondContact CG-OG1 3.34Å; K2271-T2287 PolarHBondContact N-O 3.1Å; K2271-T2287 PolarHBondContact N-OG1 2.78Å; K2271-T2287 PolarHBondContact NZ-OG1 3.3Å; K2271-T2287 VanDerWaalsContact NZ-OG1 3.16Å; K2271-T2287 PolarHBondContact O-N 3.09Å; K2271-T2287 PolarHBondContact O-OG1 2.94Å
2272	L	39.1	Very low	35.7	Very low	33.8 Å²	33.8	75.7 Å²	75.7	18%	0.177	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	110.4	-178.7	-80.3	165	0	0	0	108.7	L2189 I2205 I2209 H2216 I2218 Y2247 I2270 L2285 F2286	L2189-L2272 HydrophobicContact CD2-CD1 4.42Å; I2205-L2272 HydrophobicContact CD1-CD1 3.61Å; I2209-L2272 HydrophobicContact CD1-CD1 4.36Å; H2216-L2272 HydrophobicContact CB-CB 4.35Å; H2216-L2272 PolarHBondContact N-O 2.93Å; H2216-L2272 PolarHBondContact O-N 3.06Å; H2216-L2272 VanDerWaalsContact O-N 3.08Å; H2216-L2272 VanDerWaalsContact O-O 3.14Å; I2218-L2272 HydrophobicContact CD1-CD1 4.11Å; Y2247-L2272 VanDerWaalsContact CD1-C 3.44Å; Y2247-L2272 HydrophobicContact CD1-CB 3.74Å; Y2247-L2272 HydrophobicContact CD1-CD1 3.63Å; Y2247-L2272 HydrophobicContact CD1-CD2 3.91Å; Y2247-L2272 HydrophobicContact CD1-CG 4.42Å; Y2247-L2272 HydrophobicContact CD2-CB 4.19Å; Y2247-L2272 HydrophobicContact CD2-CD1 4.25Å; Y2247-L2272 WeakPolarHBondContact CD2-O 3.27Å; Y2247-L2272 HydrophobicContact CE1-CB 4Å; Y2247-L2272 HydrophobicContact CE1-CD1 3.84Å; Y2247-L2272 HydrophobicContact CE1-CD2 3.72Å; Y2247-L2272 HydrophobicContact CE1-CG 4.32Å; Y2247-L2272 HydrophobicContact CE2-CD1 4.43Å; Y2247-L2272 HydrophobicContact CG-CB 4.3Å; Y2247-L2272 HydrophobicContact CG-CD1 3.85Å; Y2247-L2272 PolarHBondContact N-O 2.83Å; Y2247-L2272 PolarHBondContact O-N 3Å; I2270-L2272 HydrophobicContact CG2-CD1 4.47Å; I2270-L2272 HydrophobicContact CG2-CD2 4.27Å; I2270-L2272 HydrophobicContact CG2-CG 4.18Å; L2272-L2285 WeakPolarHBondContact CA-O 3.44Å; L2272-F2286 HydrophobicContact CD1-CD1 4.34Å; L2272-F2286 HydrophobicContact CD1-CE1 3.69Å; L2272-F2286 HydrophobicContact CD2-CD1 3.75Å; L2272-F2286 HydrophobicContact CD2-CE1 3.63Å; L2272-F2286 HydrophobicContact CD2-CG 4.48Å; L2272-F2286 HydrophobicContact CD2-CZ 4.29Å; L2272-F2286 HydrophobicContact CG-CD1 3.88Å; L2272-F2286 HydrophobicContact CG-CE1 3.56Å; L2272-F2286 HydrophobicContact CG-CZ 4.36Å
2273	I	37.6	Very low	35.5	Very low	43.2 Å²	43.2	74.5 Å²	74.5	22%	0.222	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.9	172.2	-48.2	-176.3	0	0	0	108.1	N2215 I2246 Y2247 Q2248 K2271 F2283 L2285	N2215-I2273 WeakPolarHBondContact OD1-CG2 3.42Å; I2246-I2273 HydrophobicContact CG1-CG1 4.45Å; I2246-I2273 HydrophobicContact CG1-CG2 4.35Å; Y2247-I2273 CarbonylContact C-O 3.48Å; Y2247-I2273 WeakPolarHBondContact CA-O 3.41Å; Y2247-I2273 VanDerWaalsContact CB-O 3.31Å; Y2247-I2273 WeakPolarHBondContact CB-O 3.45Å; Y2247-I2273 WeakPolarHBondContact CD1-O 3.21Å; Q2248-I2273 PolarHBondContact N-O 2.9Å; K2271-I2273 HydrophobicContact CD-CD1 3.92Å; K2271-I2273 HydrophobicContact CD-CG1 4.06Å; K2271-I2273 VanDerWaalsContact CE-CD1 3.47Å; K2271-I2273 HydrophobicContact CG-CD1 4.29Å; K2271-I2273 HydrophobicContact CG-CG1 4.24Å; I2273-F2283 VanDerWaalsContact O-O 3.11Å; I2273-L2285 HydrophobicContact CB-CB 4Å; I2273-L2285 HydrophobicContact CD1-CB 4.2Å; I2273-L2285 HydrophobicContact CD1-CD2 3.66Å; I2273-L2285 VanDerWaalsContact CD1-CD2 3.48Å; I2273-L2285 HydrophobicContact CD1-CG 4.4Å; I2273-L2285 HydrophobicContact CG1-CB 4.05Å; I2273-L2285 HydrophobicContact CG1-CD2 4.1Å; I2273-L2285 PolarHBondContact N-O 3.06Å; I2273-L2285 VanDerWaalsContact N-O 3.11Å; I2273-L2285 PolarHBondContact O-N 3.33Å; I2273-L2285 VanDerWaalsContact O-N 3.15Å
2274	N	37.5	Very low	35.7	Very low	44.8 Å²	44.8	71.5 Å²	71.5	24%	0.24	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118	176.3	-157.7	-25.3	0	0	0	109.1	I2210 T2245 I2246 Y2247 Q2248 N2284	I2210-N2274 HydrophobicContact CD1-CB 4.42Å; I2210-N2274 WeakPolarHBondContact CD1-ND2 3.19Å; T2245-N2274 WeakPolarHBondContact CB-ND2 3.48Å; T2245-N2274 PolarHBondContact N-O 3.17Å; T2245-N2274 VanDerWaalsContact N-O 3.16Å; T2245-N2274 PolarHBondContact O-N 3.01Å; T2245-N2274 PolarHBondContact OG1-ND2 2.93Å; T2245-N2274 VanDerWaalsContact OG1-ND2 3.16Å; T2245-N2274 PolarHBondContact OG1-O 3.03Å; I2246-N2274 PolarHBondContact O-ND2 2.95Å; I2246-N2274 PolarHBondContact O-OD1 2.82Å; I2246-N2274 VanDerWaalsContact O-OD1 3.14Å; Y2247-N2274 HydrophobicContact CD1-CB 3.96Å; Y2247-N2274 HydrophobicContact CE1-CB 3.91Å; Y2247-N2274 VanDerWaalsContact CE1-ND2 3.35Å; Y2247-N2274 WeakPolarHBondContact CE1-ND2 3.42Å; Y2247-N2274 HydrophobicContact CE2-CB 4.42Å; Y2247-N2274 WeakPolarHBondContact CE2-ND2 3.36Å; Y2247-N2274 PolarHBondContact OH-ND2 2.96Å; Q2248-N2274 PolarHBondContact N-O 3.19Å; N2274-N2284 PolarHBondContact OD1-OD1 3.02Å
2275	S	35.5	Very low	35.8	Very low	44.4 Å²	44.4	70.7 Å²	70.7	31%	0.31	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	100	177.4	72.2	0	0	0	0	111.6	I2246 Q2248 K2277 F2283	I2246-S2275 PolarHBondContact O-N 3.01Å; Q2248-S2275 WeakPolarHBondContact CB-OG 3.48Å; S2275-K2277 PolarHBondContact O-N 3.28Å; S2275-K2277 VanDerWaalsContact O-N 3.08Å; S2275-F2283 PolarHBondContact N-O 2.85Å; S2275-F2283 VanDerWaalsContact OG-CB 3.25Å; S2275-F2283 WeakPolarHBondContact OG-CB 3.29Å
2276	N	32.6	Very low	36.2	Very low	104.8 Å²	104.8	69 Å²	69	56%	0.56	34%	0.34	S	S	*	.			trans	-91.3	75.7	168.6	-108.9	-27	0	0	0	112.1	Y2247 Q2278 N2279 I2281	Y2247-N2276 HydrophobicContact CD1-CB 4.48Å; Y2247-N2276 HydrophobicContact CE1-CB 4.1Å; Y2247-N2276 WeakPolarHBondContact CE1-O 3.45Å; N2276-Q2278 VanDerWaalsContact C-N 3.29Å; N2276-Q2278 PolarHBondContact O-N 3.45Å; N2276-N2279 PolarHBondContact ND2-O 3.06Å; N2276-I2281 PolarHBondContact ND2-O 3.04Å
2277	K	33.3	Very low	36.1	Very low	164.8 Å²	164.8	67.7 Å²	67.7	72%	0.717	34%	0.337	S	S	*	.	S	Bend	trans	-86.6	97.2	154	-77.4	-179.8	174.3	178.1	0	112.9	Y2247 S2275 N2279	Y2247-K2277 HydrophobicContact CD1-CG 3.96Å; Y2247-K2277 HydrophobicContact CD2-CD 4.12Å; Y2247-K2277 HydrophobicContact CD2-CG 4.13Å; Y2247-K2277 HydrophobicContact CE1-CB 4.22Å; Y2247-K2277 HydrophobicContact CE1-CG 4.03Å; Y2247-K2277 HydrophobicContact CE2-CD 4.23Å; Y2247-K2277 HydrophobicContact CE2-CG 4.19Å; Y2247-K2277 HydrophobicContact CG-CD 4.43Å; Y2247-K2277 HydrophobicContact CG-CG 4.03Å; S2275-K2277 PolarHBondContact O-N 3.28Å; S2275-K2277 VanDerWaalsContact O-N 3.08Å; K2277-N2279 PolarHBondContact O-N 3.03Å
2278	Q	35.6	Very low	36.4	Very low	187.8 Å²	187.8	65.6 Å²	65.6	88%	0.878	33%	0.326	S	S	*	.	S	Bend	trans	20.7	-18.6	171.5	-72.2	173.3	-44.7	0	0	118.9	N2276	N2276-Q2278 VanDerWaalsContact C-N 3.29Å; N2276-Q2278 PolarHBondContact O-N 3.45Å
2279	N	31.2	Very low	36.4	Very low	119 Å²	119	66.6 Å²	66.6	64%	0.636	33%	0.331	S	S	*	.	S	Bend	trans	-112.4	108.1	-179.8	-68.8	-10.7	0	0	0	110.5	N2276 K2277 I2281 H2434	N2276-N2279 PolarHBondContact ND2-O 3.06Å; K2277-N2279 PolarHBondContact O-N 3.03Å; N2279-I2281 HydrophobicContact CB-CD1 4.24Å; N2279-I2281 HydrophobicContact CB-CG1 4.37Å; N2279-I2281 WeakPolarHBondContact O-CG1 3.25Å; N2279-I2281 PolarHBondContact O-N 2.98Å; N2279-H2434 VanDerWaalsContact CB-CE1 3.42Å; N2279-H2434 WeakPolarHBondContact CB-CE1 3.47Å; N2279-H2434 PolarHBondContact ND2-CE1 2.91Å; N2279-H2434 PolarHBondContact ND2-NE2 3.41Å; N2279-H2434 VanDerWaalsContact ND2-NE2 3.16Å
2280	K	31.8	Very low	36.5	Very low	171 Å²	171	66.8 Å²	66.8	74%	0.743	33%	0.327	S	S	*	.	S	Bend	trans	-25.9	21.4	176.7	-68.4	-176.2	175.4	-179.3	0	116.8	F2318 N2319	K2280-F2318 HydrophobicContact CB-CD1 4.14Å; K2280-F2318 HydrophobicContact CB-CE1 4.25Å; K2280-F2318 HydrophobicContact CD-CD1 3.9Å; K2280-F2318 HydrophobicContact CD-CE1 3.57Å; K2280-F2318 HydrophobicContact CD-CE2 4.48Å; K2280-F2318 HydrophobicContact CD-CZ 3.67Å; K2280-F2318 HydrophobicContact CG-CE1 4.24Å; K2280-N2319 VanDerWaalsContact O-CB 3.25Å; K2280-N2319 WeakPolarHBondContact O-CB 3.45Å
2281	I	30.8	Very low	36.4	Very low	70 Å²	70	70.1 Å²	70.1	36%	0.359	34%	0.339	S	S	.	.			trans	-107.4	116	-179	-59.4	170.8	0	0	0	108.4	N2276 N2279 F2283 N2319 I2321	N2276-I2281 PolarHBondContact ND2-O 3.04Å; N2279-I2281 HydrophobicContact CB-CD1 4.24Å; N2279-I2281 HydrophobicContact CB-CG1 4.37Å; N2279-I2281 WeakPolarHBondContact O-CG1 3.25Å; N2279-I2281 PolarHBondContact O-N 2.98Å; I2281-F2283 HydrophobicContact CG2-CD2 4.02Å; I2281-F2283 HydrophobicContact CG2-CE2 4.08Å; I2281-F2283 PolarHBondContact O-N 2.82Å; I2281-N2319 CarbonylContact C-O 3.49Å; I2281-N2319 VanDerWaalsContact C-O 3.3Å; I2281-N2319 WeakPolarHBondContact CA-O 3.34Å; I2281-N2319 HydrophobicContact CG1-CB 4.29Å; I2281-N2319 VanDerWaalsContact CG2-O 3.28Å; I2281-N2319 WeakPolarHBondContact CG2-O 3.44Å; I2281-I2321 HydrophobicContact CG2-CB 4.48Å; I2281-I2321 HydrophobicContact CG2-CD1 4.04Å; I2281-I2321 HydrophobicContact CG2-CG1 4.11Å
2282	L	32.4	Very low	36.3	Very low	35 Å²	35	68.6 Å²	68.6	18%	0.183	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	102.5	177.4	-119.6	152.6	0	0	0	108.5	I2246 N2284 I2315 N2319 D2320 I2321	I2246-L2282 HydrophobicContact CD1-CD1 4.43Å; I2246-L2282 HydrophobicContact CD1-CG 4.26Å; I2246-L2282 HydrophobicContact CG1-CD1 4.3Å; I2246-L2282 HydrophobicContact CG1-CG 4.13Å; I2246-L2282 HydrophobicContact CG2-CD2 3.86Å; I2246-L2282 HydrophobicContact CG2-CG 3.91Å; L2282-N2284 WeakPolarHBondContact CD2-OD1 3.13Å; L2282-N2284 PolarHBondContact O-N 3.12Å; L2282-I2315 HydrophobicContact CD1-CD1 3.81Å; L2282-N2319 PolarHBondContact N-O 3.1Å; L2282-D2320 HydrophobicContact CB-CB 4.48Å; L2282-D2320 VanDerWaalsContact CB-OD1 3.26Å; L2282-D2320 WeakPolarHBondContact CB-OD1 3.29Å; L2282-D2320 WeakPolarHBondContact CD1-OD1 3.31Å; L2282-D2320 PolarHBondContact N-OD1 3.44Å; L2282-D2320 CarbonylContact O-C 3.52Å; L2282-D2320 WeakPolarHBondContact O-CA 3.38Å; L2282-I2321 PolarHBondContact O-N 3.03Å; L2282-I2321 VanDerWaalsContact O-N 3.1Å; L2282-I2321 VanDerWaalsContact O-O 3.13Å
2283	F	32.2	Very low	36	Very low	78.2 Å²	78.2	72.1 Å²	72.1	34%	0.343	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	102	176.5	-127.2	-88.4	0	0	0	109.5	I2273 S2275 I2281 L2285 I2321 I2323	I2273-F2283 VanDerWaalsContact O-O 3.11Å; S2275-F2283 PolarHBondContact N-O 2.85Å; S2275-F2283 VanDerWaalsContact OG-CB 3.25Å; S2275-F2283 WeakPolarHBondContact OG-CB 3.29Å; I2281-F2283 HydrophobicContact CG2-CD2 4.02Å; I2281-F2283 HydrophobicContact CG2-CE2 4.08Å; I2281-F2283 PolarHBondContact O-N 2.82Å; F2283-L2285 PolarHBondContact O-N 3.18Å; F2283-I2321 CarbonylContact C-O 3.53Å; F2283-I2321 WeakPolarHBondContact CA-O 3.3Å; F2283-I2321 HydrophobicContact CD1-CG2 4.42Å; F2283-I2321 HydrophobicContact CD2-CB 3.99Å; F2283-I2321 HydrophobicContact CD2-CD1 4.24Å; F2283-I2321 HydrophobicContact CD2-CG1 4.36Å; F2283-I2321 HydrophobicContact CD2-CG2 4.12Å; F2283-I2321 HydrophobicContact CE1-CB 4Å; F2283-I2321 HydrophobicContact CE1-CG2 4.05Å; F2283-I2321 HydrophobicContact CE2-CB 4.09Å; F2283-I2321 HydrophobicContact CE2-CD1 3.9Å; F2283-I2321 HydrophobicContact CE2-CG1 4.35Å; F2283-I2321 HydrophobicContact CE2-CG2 3.87Å; F2283-I2321 HydrophobicContact CG-CB 4.31Å; F2283-I2321 HydrophobicContact CZ-CB 4.24Å; F2283-I2321 HydrophobicContact CZ-CD1 3.97Å; F2283-I2321 HydrophobicContact CZ-CG1 4.41Å; F2283-I2321 HydrophobicContact CZ-CG2 4.02Å; F2283-I2323 HydrophobicContact CD1-CD1 4.37Å; F2283-I2323 HydrophobicContact CD1-CG1 4.42Å; F2283-I2323 HydrophobicContact CE1-CD1 3.56Å; F2283-I2323 VanDerWaalsContact CE1-CD1 3.41Å; F2283-I2323 HydrophobicContact CE1-CG1 4.02Å; F2283-I2323 HydrophobicContact CE2-CD1 4.16Å; F2283-I2323 HydrophobicContact CZ-CD1 3.54Å; F2283-I2323 HydrophobicContact CZ-CG1 4.09Å
2284	N	37.5	Very low	35.7	Very low	21.4 Å²	21.4	71.5 Å²	71.5	11%	0.114	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	105.4	176.3	-71.3	-36.1	0	0	0	109.5	Y2247 N2274 L2282 F2286 L2309 I2321 T2322 I2323	Y2247-N2284 PolarHBondContact OH-ND2 2.74Å; N2274-N2284 PolarHBondContact OD1-OD1 3.02Å; L2282-N2284 WeakPolarHBondContact CD2-OD1 3.13Å; L2282-N2284 PolarHBondContact O-N 3.12Å; N2284-F2286 HydrophobicContact CB-CD2 4.42Å; N2284-F2286 HydrophobicContact CB-CE2 3.88Å; N2284-F2286 VanDerWaalsContact CB-CE2 3.5Å; N2284-F2286 HydrophobicContact CB-CZ 4.27Å; N2284-F2286 PolarHBondContact O-N 3.11Å; N2284-L2309 VanDerWaalsContact ND2-CD1 3.31Å; N2284-L2309 WeakPolarHBondContact ND2-CD1 3.4Å; N2284-I2321 PolarHBondContact N-O 3.16Å; N2284-I2321 VanDerWaalsContact N-O 3.13Å; N2284-T2322 HydrophobicContact CB-CG2 4.16Å; N2284-T2322 CarbonylContact O-C 3.46Å; N2284-T2322 WeakPolarHBondContact O-CA 3.44Å; N2284-I2323 PolarHBondContact O-N 3.02Å
2285	L	38.5	Very low	35.1	Very low	34.2 Å²	34.2	73.1 Å²	73.1	18%	0.179	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	110.4	171.1	-171.2	103.4	0	0	0	109.7	L2249 K2271 L2272 I2273 F2283 T2287 I2323 N2325	L2249-L2285 HydrophobicContact CB-CB 4.36Å; L2249-L2285 HydrophobicContact CB-CD2 4.19Å; L2249-L2285 VanDerWaalsContact CD1-O 3.28Å; L2249-L2285 WeakPolarHBondContact CD1-O 3.34Å; K2271-L2285 VanDerWaalsContact O-O 3.13Å; L2272-L2285 WeakPolarHBondContact CA-O 3.44Å; I2273-L2285 HydrophobicContact CB-CB 4Å; I2273-L2285 HydrophobicContact CD1-CB 4.2Å; I2273-L2285 HydrophobicContact CD1-CD2 3.66Å; I2273-L2285 VanDerWaalsContact CD1-CD2 3.48Å; I2273-L2285 HydrophobicContact CD1-CG 4.4Å; I2273-L2285 HydrophobicContact CG1-CB 4.05Å; I2273-L2285 HydrophobicContact CG1-CD2 4.1Å; I2273-L2285 PolarHBondContact N-O 3.06Å; I2273-L2285 VanDerWaalsContact N-O 3.11Å; I2273-L2285 PolarHBondContact O-N 3.33Å; I2273-L2285 VanDerWaalsContact O-N 3.15Å; F2283-L2285 PolarHBondContact O-N 3.18Å; L2285-T2287 HydrophobicContact CD2-CG2 3.8Å; L2285-T2287 VanDerWaalsContact CD2-OG1 3.29Å; L2285-T2287 WeakPolarHBondContact CD2-OG1 3.27Å; L2285-I2323 WeakPolarHBondContact CA-O 3.28Å; L2285-I2323 HydrophobicContact CD1-CB 3.99Å; L2285-I2323 HydrophobicContact CD1-CD1 4.28Å; L2285-I2323 HydrophobicContact CD1-CG2 3.74Å; L2285-I2323 HydrophobicContact CG-CB 4.45Å; L2285-I2323 HydrophobicContact CG-CG2 4.38Å; L2285-N2325 HydrophobicContact CD1-CB 4.18Å
2286	F	42.6	Very low	34.8	Very low	30.4 Å²	30.4	73.2 Å²	73.2	13%	0.133	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.3	168.7	-67.9	-82.9	0	0	0	108.6	I2191 I2238 Y2247 L2272 N2284 I2307 L2309 T2322 I2323 L2324 N2325	I2191-F2286 HydrophobicContact CD1-CD1 4.33Å; I2191-F2286 HydrophobicContact CD1-CE1 3.45Å; I2191-F2286 VanDerWaalsContact CD1-CE1 3.45Å; I2191-F2286 HydrophobicContact CD1-CZ 4Å; I2238-F2286 HydrophobicContact CD1-CD1 4.21Å; I2238-F2286 HydrophobicContact CD1-CE1 3.32Å; I2238-F2286 HydrophobicContact CD1-CE2 3.94Å; I2238-F2286 HydrophobicContact CD1-CZ 3.18Å; I2238-F2286 HydrophobicContact CG1-CE1 4.08Å; I2238-F2286 HydrophobicContact CG1-CZ 4.1Å; Y2247-F2286 HydrophobicContact CD1-CE1 4.33Å; Y2247-F2286 HydrophobicContact CD1-CE2 4.42Å; Y2247-F2286 AromaticContact CD1-CZ 3.75Å; Y2247-F2286 HydrophobicContact CD1-CZ 3.75Å; Y2247-F2286 AromaticContact CE1-CE1 3.82Å; Y2247-F2286 HydrophobicContact CE1-CE1 3.82Å; Y2247-F2286 HydrophobicContact CE1-CE2 4.25Å; Y2247-F2286 AromaticContact CE1-CZ 3.89Å; Y2247-F2286 HydrophobicContact CE1-CZ 4.06Å; Y2247-F2286 HydrophobicContact CG-CZ 4.32Å; L2272-F2286 HydrophobicContact CD1-CD1 4.34Å; L2272-F2286 HydrophobicContact CD1-CE1 3.69Å; L2272-F2286 HydrophobicContact CD2-CD1 3.75Å; L2272-F2286 HydrophobicContact CD2-CE1 3.63Å; L2272-F2286 HydrophobicContact CD2-CG 4.48Å; L2272-F2286 HydrophobicContact CD2-CZ 4.29Å; L2272-F2286 HydrophobicContact CG-CD1 3.88Å; L2272-F2286 HydrophobicContact CG-CE1 3.56Å; L2272-F2286 HydrophobicContact CG-CZ 4.36Å; N2284-F2286 HydrophobicContact CB-CD2 4.42Å; N2284-F2286 HydrophobicContact CB-CE2 3.88Å; N2284-F2286 VanDerWaalsContact CB-CE2 3.5Å; N2284-F2286 HydrophobicContact CB-CZ 4.27Å; N2284-F2286 PolarHBondContact O-N 3.11Å; F2286-I2307 HydrophobicContact CD1-CD1 4.38Å; F2286-I2307 HydrophobicContact CE1-CG2 4.37Å; F2286-I2307 HydrophobicContact CG-CD1 4.43Å; F2286-I2307 HydrophobicContact CZ-CG2 4.14Å; F2286-L2309 HydrophobicContact CE2-CD1 4.13Å; F2286-L2309 HydrophobicContact CZ-CD1 4.07Å; F2286-L2309 HydrophobicContact CZ-CD2 4.31Å; F2286-L2309 HydrophobicContact CZ-CG 4.3Å; F2286-T2322 HydrophobicContact CD2-CG2 4.04Å; F2286-T2322 HydrophobicContact CE2-CG2 3.98Å; F2286-I2323 PolarHBondContact N-O 3.07Å; F2286-L2324 HydrophobicContact CB-CD2 3.98Å; F2286-L2324 HydrophobicContact CB-CG 4.38Å; F2286-L2324 HydrophobicContact CD2-CD2 4.37Å; F2286-L2324 HydrophobicContact CG-CD2 4.38Å; F2286-L2324 CarbonylContact O-C 3.54Å; F2286-N2325 WeakPolarHBondContact O-CA 3.45Å; F2286-N2325 PolarHBondContact O-N 3.12Å
2287	T	38.4	Very low	34.4	Very low	21 Å²	21	74.6 Å²	74.6	13%	0.129	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.8	172.4	-13.5	0	0	0	0	109.1	N2251 S2269 I2270 K2271 L2285 N2289 N2325	N2251-T2287 WeakPolarHBondContact ND2-CB 3.33Å; N2251-T2287 WeakPolarHBondContact ND2-CG2 3.33Å; N2251-T2287 PolarHBondContact ND2-OG1 3.14Å; S2269-T2287 VanDerWaalsContact O-O 3.06Å; I2270-T2287 WeakPolarHBondContact CA-O 3.38Å; K2271-T2287 WeakPolarHBondContact CA-OG1 3.37Å; K2271-T2287 VanDerWaalsContact CB-OG1 3.22Å; K2271-T2287 WeakPolarHBondContact CB-OG1 3.26Å; K2271-T2287 HydrophobicContact CD-CG2 4.37Å; K2271-T2287 WeakPolarHBondContact CD-OG1 3.34Å; K2271-T2287 WeakPolarHBondContact CG-OG1 3.34Å; K2271-T2287 PolarHBondContact N-O 3.1Å; K2271-T2287 PolarHBondContact N-OG1 2.78Å; K2271-T2287 PolarHBondContact NZ-OG1 3.3Å; K2271-T2287 VanDerWaalsContact NZ-OG1 3.16Å; K2271-T2287 PolarHBondContact O-N 3.09Å; K2271-T2287 PolarHBondContact O-OG1 2.94Å; L2285-T2287 HydrophobicContact CD2-CG2 3.8Å; L2285-T2287 VanDerWaalsContact CD2-OG1 3.29Å; L2285-T2287 WeakPolarHBondContact CD2-OG1 3.27Å; T2287-N2289 WeakPolarHBondContact CG2-OD1 3.29Å; T2287-N2325 CarbonylContact C-O 3.53Å; T2287-N2325 VanDerWaalsContact CA-O 3.31Å; T2287-N2325 WeakPolarHBondContact CA-O 3.33Å; T2287-N2325 HydrophobicContact CG2-CB 3.8Å
2288	L	41.5	Very low	34.1	Very low	22.8 Å²	22.8	69 Å²	69	12%	0.119	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.5	173.1	-71	167.1	0	0	0	107.6	L2179 I2236 L2268 I2270 F2290 I2305 N2325 Y2326 S2327	L2179-L2288 HydrophobicContact CD1-CD1 4.35Å; I2236-L2288 HydrophobicContact CD1-CD1 3.82Å; I2236-L2288 HydrophobicContact CD1-CD2 3.8Å; I2236-L2288 HydrophobicContact CD1-CG 4.35Å; L2268-L2288 HydrophobicContact CD1-CD2 4.12Å; I2270-L2288 HydrophobicContact CB-CD2 4.45Å; I2270-L2288 HydrophobicContact CD1-CD2 4.18Å; I2270-L2288 HydrophobicContact CG1-CD2 3.85Å; I2270-L2288 HydrophobicContact CG2-CD2 4.18Å; L2288-F2290 HydrophobicContact CB-CD2 4.44Å; L2288-F2290 HydrophobicContact CB-CE2 4.04Å; L2288-F2290 HydrophobicContact CD1-CE2 4.47Å; L2288-I2305 HydrophobicContact CD1-CD1 4.05Å; L2288-N2325 PolarHBondContact N-O 3.11Å; L2288-N2325 VanDerWaalsContact N-O 3.12Å; L2288-Y2326 HydrophobicContact CB-CD2 4.29Å; L2288-Y2326 HydrophobicContact CD1-CD2 4.39Å; L2288-S2327 PolarHBondContact O-N 3.15Å; L2288-S2327 PolarHBondContact O-OG 3.27Å
2289	N	40.5	Very low	33.6	Very low	44.6 Å²	44.6	66.5 Å²	66.5	24%	0.239	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.5	175.3	-60.3	-1	0	0	0	109.1	L2253 S2269 T2287 Y2291 S2327	L2253-N2289 HydrophobicContact CD1-CB 4.31Å; S2269-N2289 PolarHBondContact N-O 2.97Å; S2269-N2289 PolarHBondContact O-N 2.73Å; S2269-N2289 VanDerWaalsContact O-N 3.13Å; S2269-N2289 VanDerWaalsContact OG-CB 3.3Å; S2269-N2289 WeakPolarHBondContact OG-CB 3.27Å; S2269-N2289 PolarHBondContact OG-ND2 2.96Å; T2287-N2289 WeakPolarHBondContact CG2-OD1 3.29Å; N2289-Y2291 HydrophobicContact CB-CD2 4.38Å; N2289-Y2291 HydrophobicContact CB-CE2 3.97Å; N2289-S2327 WeakPolarHBondContact CA-O 3.41Å; N2289-S2327 WeakPolarHBondContact CA-OG 3.28Å; N2289-S2327 WeakPolarHBondContact CB-OG 3.39Å; N2289-S2327 VanDerWaalsContact CG-OG 3.28Å; N2289-S2327 PolarHBondContact OD1-OG 3.08Å; N2289-S2327 VanDerWaalsContact OD1-OG 3.08Å
2290	F	40.9	Very low	33.2	Very low	39.8 Å²	39.8	69.1 Å²	69.1	18%	0.175	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.4	172.7	-79	-84.6	0	0	0	109.8	I2177 Y2232 L2253 Y2266 L2268 L2288 L2292 I2305 Y2326 S2327 L2328 Q2329	I2177-F2290 HydrophobicContact CD1-CZ 4.24Å; Y2232-F2290 HydrophobicContact CD1-CZ 4.18Å; Y2232-F2290 HydrophobicContact CE1-CE1 4.44Å; Y2232-F2290 AromaticContact CE1-CE2 3.7Å; Y2232-F2290 HydrophobicContact CE1-CE2 3.7Å; Y2232-F2290 AromaticContact CE1-CZ 3.4Å; Y2232-F2290 HydrophobicContact CE1-CZ 3.4Å; Y2232-F2290 VanDerWaalsContact CE1-CZ 3.4Å; Y2232-F2290 AromaticContact CE2-CZ 3.92Å; Y2232-F2290 HydrophobicContact CE2-CZ 3.92Å; Y2232-F2290 AromaticContact CZ-CE2 3.87Å; Y2232-F2290 AromaticContact CZ-CZ 3.28Å; Y2232-F2290 VanDerWaalsContact OH-CZ 3.28Å; Y2232-F2290 WeakPolarHBondContact OH-CZ 3.46Å; L2253-F2290 HydrophobicContact CD1-CD1 4.08Å; L2253-F2290 HydrophobicContact CD1-CE1 3.24Å; L2253-F2290 HydrophobicContact CD1-CZ 3.64Å; Y2266-F2290 HydrophobicContact CD1-CD1 4.5Å; L2268-F2290 HydrophobicContact CD1-CD1 4.21Å; L2268-F2290 HydrophobicContact CD1-CD2 4.07Å; L2268-F2290 HydrophobicContact CD1-CE1 3.91Å; L2268-F2290 VanDerWaalsContact CD1-CE1 3.48Å; L2268-F2290 HydrophobicContact CD1-CE2 3.78Å; L2268-F2290 HydrophobicContact CD1-CZ 3.59Å; L2288-F2290 HydrophobicContact CB-CD2 4.44Å; L2288-F2290 HydrophobicContact CB-CE2 4.04Å; L2288-F2290 HydrophobicContact CD1-CE2 4.47Å; F2290-L2292 HydrophobicContact CB-CD1 4.42Å; F2290-L2292 HydrophobicContact CD1-CD1 4.38Å; F2290-L2292 PolarHBondContact O-N 3.46Å; F2290-I2305 HydrophobicContact CE2-CD1 4.48Å; F2290-I2305 HydrophobicContact CZ-CD1 4.33Å; F2290-Y2326 HydrophobicContact CD2-CD2 4.37Å; F2290-Y2326 AromaticContact CD2-CE2 3.71Å; F2290-Y2326 HydrophobicContact CD2-CE2 3.81Å; F2290-Y2326 HydrophobicContact CE2-CD2 4.39Å; F2290-Y2326 AromaticContact CE2-CE2 3.68Å; F2290-Y2326 HydrophobicContact CE2-CE2 3.68Å; F2290-Y2326 VanDerWaalsContact CE2-CE2 3.49Å; F2290-S2327 PolarHBondContact N-O 3.1Å; F2290-S2327 VanDerWaalsContact N-O 3.11Å; F2290-L2328 HydrophobicContact CB-CD1 4.15Å; F2290-L2328 HydrophobicContact CD2-CD1 4.49Å; F2290-Q2329 PolarHBondContact O-N 3.09Å; F2290-Q2329 VanDerWaalsContact O-N 3.09Å
2291	Y	37.4	Very low	33	Very low	95.4 Å²	95.4	64.8 Å²	64.8	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	108.9	170.3	-73.8	-91.6	0	0	0	109.2	Q1916 I2255 N2267 N2289 N2293 Q2329	Q1916-Y2291 PolarHBondContact OE1-OH 2.89Å; I2255-Y2291 HydrophobicContact CD1-CD1 4.49Å; I2255-Y2291 HydrophobicContact CD1-CD2 3.46Å; I2255-Y2291 VanDerWaalsContact CD1-CD2 3.46Å; I2255-Y2291 HydrophobicContact CD1-CE2 4.14Å; I2255-Y2291 HydrophobicContact CD1-CG 3.66Å; I2255-Y2291 HydrophobicContact CG1-CD2 4.49Å; N2267-Y2291 HydrophobicContact CB-CD2 3.89Å; N2267-Y2291 HydrophobicContact CB-CG 4.33Å; N2267-Y2291 PolarHBondContact O-N 3.08Å; N2289-Y2291 HydrophobicContact CB-CD2 4.38Å; N2289-Y2291 HydrophobicContact CB-CE2 3.97Å; Y2291-N2293 PolarHBondContact O-N 3.01Å; Y2291-Q2329 HydrophobicContact CD1-CB 4.46Å; Y2291-Q2329 VanDerWaalsContact CD1-OE1 3.24Å; Y2291-Q2329 HydrophobicContact CE1-CB 4.38Å; Y2291-Q2329 HydrophobicContact CE1-CG 4.45Å; Y2291-Q2329 VanDerWaalsContact CE1-OE1 3.28Å; Y2291-Q2329 PolarHBondContact OH-OE1 3.29Å
2292	L	35.8	Very low	32.7	Very low	33.4 Å²	33.4	65.1 Å²	65.1	18%	0.175	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	103.8	179.9	-86.5	163.1	0	0	0	110.4	L2229 I2255 Y2266 F2290 L2294 I2296 L2328 Q2329	L2229-L2292 HydrophobicContact CD1-CD2 4.4Å; I2255-L2292 HydrophobicContact CD1-CD2 4.12Å; Y2266-L2292 HydrophobicContact CD1-CD2 3.94Å; Y2266-L2292 VanDerWaalsContact CD1-CD2 3.43Å; Y2266-L2292 HydrophobicContact CD1-CG 4.44Å; Y2266-L2292 HydrophobicContact CE1-CD2 3.76Å; Y2266-L2292 HydrophobicContact CE1-CG 4.13Å; F2290-L2292 HydrophobicContact CB-CD1 4.42Å; F2290-L2292 HydrophobicContact CD1-CD1 4.38Å; F2290-L2292 PolarHBondContact O-N 3.46Å; L2292-L2294 VanDerWaalsContact C-N 3.3Å; L2292-L2294 HydrophobicContact CD2-CB 4.39Å; L2292-L2294 HydrophobicContact CD2-CD1 4.23Å; L2292-L2294 PolarHBondContact O-N 3.2Å; L2292-I2296 HydrophobicContact CD1-CD1 4.06Å; L2292-I2296 HydrophobicContact CD2-CD1 3.87Å; L2292-I2296 HydrophobicContact CD2-CG1 4.13Å; L2292-I2296 HydrophobicContact CG-CD1 4.06Å; L2292-L2328 HydrophobicContact CD1-CD1 4.2Å; L2292-Q2329 PolarHBondContact N-O 3.16Å; L2292-Q2329 VanDerWaalsContact N-O 3.17Å
2293	N	32.6	Very low	32.6	Very low	107.4 Å²	107.4	66.1 Å²	66.1	57%	0.574	33%	0.332	S	S	*	.			trans	-88.4	19.6	174.9	-85.5	-7.8	0	0	0	113.6	N2257 Y2291 N2331	N2257-N2293 PolarHBondContact ND2-ND2 3.38Å; Y2291-N2293 PolarHBondContact O-N 3.01Å; N2293-N2331 PolarHBondContact OD1-ND2 3.15Å
2294	L	30.7	Very low	32.4	Very low	31.4 Å²	31.4	65.7 Å²	65.7	16%	0.164	33%	0.332	C	S	.	.			trans	-108.4	135.4	-177.9	-82.5	163.6	0	0	0	112.5	N2257 N2262 H2264 Y2266 L2292 I2296	N2257-L2294 HydrophobicContact CB-CD1 4.38Å; N2257-L2294 WeakPolarHBondContact ND2-CD2 3.17Å; N2262-L2294 HydrophobicContact CB-CD1 4.45Å; N2262-L2294 WeakPolarHBondContact OD1-CD2 3.37Å; H2264-L2294 HydrophobicContact CB-CD1 4.16Å; H2264-L2294 WeakPolarHBondContact CE1-CD1 3Å; H2264-L2294 WeakPolarHBondContact ND1-CD1 3.36Å; H2264-L2294 WeakPolarHBondContact NE2-CD2 3.3Å; Y2266-L2294 HydrophobicContact CE1-CD1 3.99Å; Y2266-L2294 HydrophobicContact CE2-CD1 4.49Å; Y2266-L2294 WeakPolarHBondContact OH-CD1 3.44Å; L2292-L2294 VanDerWaalsContact C-N 3.3Å; L2292-L2294 HydrophobicContact CD2-CB 4.39Å; L2292-L2294 HydrophobicContact CD2-CD1 4.23Å; L2292-L2294 PolarHBondContact O-N 3.2Å; L2294-I2296 HydrophobicContact CB-CD1 4.06Å; L2294-I2296 HydrophobicContact CB-CG1 4.11Å; L2294-I2296 PolarHBondContact O-N 2.96Å
2295	P	25.7	Very low	32.2	Very low	78.2 Å²	78.2	66.6 Å²	66.6	51%	0.508	34%	0.336	S	S	.	.			trans	-75.8	92.5	164.7	31.2	-29.6	0	0	0	108.9	I2297 N2332	P2295-I2297 PolarHBondContact O-N 2.68Å; P2295-I2297 VanDerWaalsContact O-N 3.17Å; P2295-N2332 HydrophobicContact CB-CB 4.19Å
2296	I	28.6	Very low	31.8	Very low	45.6 Å²	45.6	66.2 Å²	66.2	23%	0.234	33%	0.334	C	S	.	.			trans	-86.9	109.6	177.6	-43.5	-177.1	0	0	0	109.1	L2292 L2294 M2298 I2334	L2292-I2296 HydrophobicContact CD1-CD1 4.06Å; L2292-I2296 HydrophobicContact CD2-CD1 3.87Å; L2292-I2296 HydrophobicContact CD2-CG1 4.13Å; L2292-I2296 HydrophobicContact CG-CD1 4.06Å; L2294-I2296 HydrophobicContact CB-CD1 4.06Å; L2294-I2296 HydrophobicContact CB-CG1 4.11Å; L2294-I2296 PolarHBondContact O-N 2.96Å; I2296-M2298 VanDerWaalsContact C-N 3.33Å; I2296-M2298 HydrophobicContact CB-CG 4.09Å; I2296-M2298 HydrophobicContact CB-SD 3.87Å; I2296-M2298 HydrophobicContact CD1-SD 4.4Å; I2296-M2298 HydrophobicContact CG2-CB 4.35Å; I2296-M2298 HydrophobicContact CG2-CG 3.55Å; I2296-M2298 VanDerWaalsContact CG2-CG 3.47Å; I2296-M2298 HydrophobicContact CG2-SD 3.51Å; I2296-M2298 VanDerWaalsContact CG2-SD 3.52Å; I2296-M2298 WeakPolarHBondContact CG2-SD 3.44Å; I2296-M2298 PolarHBondContact O-N 2.99Å; I2296-I2334 HydrophobicContact CB-CD1 4.06Å; I2296-I2334 HydrophobicContact CB-CG1 4.27Å; I2296-I2334 HydrophobicContact CB-CG2 4.44Å; I2296-I2334 HydrophobicContact CD1-CD1 3.94Å; I2296-I2334 HydrophobicContact CD1-CG1 4.41Å; I2296-I2334 HydrophobicContact CG1-CD1 4.01Å; I2296-I2334 HydrophobicContact CG1-CG1 4.33Å; I2296-I2334 WeakPolarHBondContact O-CG1 3.1Å; I2296-I2334 VanDerWaalsContact O-CG2 3.3Å; I2296-I2334 WeakPolarHBondContact O-CG2 3.41Å
2297	I	23.8	Very low	31.4	Very low	135.2 Å²	135.2	66.3 Å²	66.3	69%	0.693	34%	0.335	S	S	*	.			trans	-73.5	95.5	163.7	-62.3	178.2	0	0	0	106.8	P2295 E2299 S3176	P2295-I2297 PolarHBondContact O-N 2.68Å; P2295-I2297 VanDerWaalsContact O-N 3.17Å; I2297-E2299 HydrophobicContact CG2-CG 3.56Å; I2297-E2299 PolarHBondContact O-N 3.08Å; I2297-S3176 WeakPolarHBondContact CD1-OG 3.09Å
2298	M	27.3	Very low	31	Very low	48.2 Å²	48.2	69.2 Å²	69.2	24%	0.237	35%	0.345	C	S	.	.			trans	-94.4	89.2	178.2	-70.5	-68.1	-81.8	0	0	110.1	I2296 Q2300 Q2301 I2334 Y2335	I2296-M2298 VanDerWaalsContact C-N 3.33Å; I2296-M2298 HydrophobicContact CB-CG 4.09Å; I2296-M2298 HydrophobicContact CB-SD 3.87Å; I2296-M2298 HydrophobicContact CD1-SD 4.4Å; I2296-M2298 HydrophobicContact CG2-CB 4.35Å; I2296-M2298 HydrophobicContact CG2-CG 3.55Å; I2296-M2298 VanDerWaalsContact CG2-CG 3.47Å; I2296-M2298 HydrophobicContact CG2-SD 3.51Å; I2296-M2298 VanDerWaalsContact CG2-SD 3.52Å; I2296-M2298 WeakPolarHBondContact CG2-SD 3.44Å; I2296-M2298 PolarHBondContact O-N 2.99Å; M2298-Q2300 PolarHBondContact O-N 3.21Å; M2298-Q2300 VanDerWaalsContact O-N 3.13Å; M2298-Q2301 HydrophobicContact CE-CB 4.2Å; M2298-Q2301 HydrophobicContact CE-CG 3.39Å; M2298-Q2301 WeakPolarHBondContact CE-O 3.1Å; M2298-I2334 HydrophobicContact CB-CG2 4.08Å; M2298-I2334 HydrophobicContact CG-CG2 3.87Å; M2298-Y2335 WeakPolarHBondContact CB-O 3.49Å; M2298-Y2335 WeakPolarHBondContact CE-O 3.32Å
2299	E	24.4	Very low	30.6	Very low	134.6 Å²	134.6	70.6 Å²	70.6	63%	0.629	35%	0.352	S	S	*	.			trans	-72	90.2	166.7	-74.9	-178.9	149.3	0	0	110.3	I2297 Q2301 Q3113 K3177	I2297-E2299 HydrophobicContact CG2-CG 3.56Å; I2297-E2299 PolarHBondContact O-N 3.08Å; E2299-Q2301 VanDerWaalsContact C-N 3.27Å; E2299-Q2301 PolarHBondContact O-N 2.92Å; E2299-Q2301 VanDerWaalsContact O-N 3.15Å; E2299-Q3113 HydrophobicContact CB-CG 4.11Å; E2299-Q3113 VanDerWaalsContact CD-CG 3.46Å; E2299-Q3113 HydrophobicContact CG-CG 4.08Å; E2299-Q3113 WeakPolarHBondContact OE2-CG 3.5Å; E2299-K3177 WeakPolarHBondContact OE1-CD 3.46Å; E2299-K3177 WeakPolarHBondContact OE1-CE 3.29Å; E2299-K3177 IonicContact OE1-NZ 2.75Å; E2299-K3177 PolarHBondContact OE1-NZ 3.38Å
2300	Q	24.3	Very low	30.3	Very low	173.2 Å²	173.2	73.9 Å²	73.9	81%	0.809	37%	0.366	S	S	*	.	S	Bend	trans	60.4	52.3	165.9	-69.8	179.6	-3.3	0	0	116.3	M2298 T2302	M2298-Q2300 PolarHBondContact O-N 3.21Å; M2298-Q2300 VanDerWaalsContact O-N 3.13Å; Q2300-T2302 PolarHBondContact O-N 3.15Å
2301	Q	26.4	Very low	30	Very low	80.8 Å²	80.8	75.9 Å²	75.9	38%	0.378	38%	0.378	S	S	.	.			trans	-112.7	121.4	168.3	-81.6	-165.6	-17.8	0	0	111.6	N2172 Y2232 M2298 E2299 N2303	N2172-Q2301 PolarHBondContact OD1-OE1 3.44Å; Y2232-Q2301 PolarHBondContact O-NE2 3.17Å; Y2232-Q2301 PolarHBondContact O-OE1 2.99Å; Y2232-Q2301 PolarHBondContact OH-NE2 3.46Å; Y2232-Q2301 VanDerWaalsContact OH-NE2 3.12Å; Y2232-Q2301 PolarHBondContact OH-OE1 2.8Å; M2298-Q2301 HydrophobicContact CE-CB 4.2Å; M2298-Q2301 HydrophobicContact CE-CG 3.39Å; M2298-Q2301 WeakPolarHBondContact CE-O 3.1Å; E2299-Q2301 VanDerWaalsContact C-N 3.27Å; E2299-Q2301 PolarHBondContact O-N 2.92Å; E2299-Q2301 VanDerWaalsContact O-N 3.15Å; Q2301-N2303 PolarHBondContact O-N 3.1Å
2302	T	25.9	Very low	29.9	Very low	75.4 Å²	75.4	76.4 Å²	76.4	46%	0.463	39%	0.388	S	S	.	.			trans	-78.4	101	177.6	48.5	0	0	0	0	110.6	Q2300 E2304	Q2300-T2302 PolarHBondContact O-N 3.15Å; T2302-E2304 VanDerWaalsContact C-N 3.34Å; T2302-E2304 PolarHBondContact O-N 3.19Å
2303	N	28.4	Very low	29.7	Very low	57.2 Å²	57.2	78.4 Å²	78.4	31%	0.306	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	98.5	166	-71.2	-12.6	0	0	0	108.7	Q2301 I2305 L2338 Q2339	Q2301-N2303 PolarHBondContact O-N 3.1Å; N2303-I2305 PolarHBondContact O-N 3.05Å; N2303-L2338 HydrophobicContact CB-CD2 4.11Å; N2303-Q2339 CarbonylContact C-O 3.56Å; N2303-Q2339 CarbonylContact O-C 3.52Å; N2303-Q2339 PolarHBondContact O-N 2.95Å
2304	E	29.1	Very low	29.6	Very low	70.4 Å²	70.4	83.8 Å²	83.8	33%	0.329	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.3	170.5	-66.8	-167.3	159.9	0	0	109.4	S2174 L2233 Q2234 T2302 N2306 Q2337 Q2339 K2365	S2174-E2304 WeakPolarHBondContact CB-O 3.5Å; L2233-E2304 HydrophobicContact CD1-CB 4.11Å; L2233-E2304 HydrophobicContact CD1-CG 4.43Å; L2233-E2304 HydrophobicContact CG-CB 4.47Å; Q2234-E2304 CarbonylContact C-O 3.48Å; T2302-E2304 VanDerWaalsContact C-N 3.34Å; T2302-E2304 PolarHBondContact O-N 3.19Å; E2304-N2306 PolarHBondContact O-N 2.94Å; E2304-N2306 PolarHBondContact OE2-ND2 2.75Å; E2304-Q2337 WeakPolarHBondContact CA-O 3.38Å; E2304-Q2337 HydrophobicContact CG-CB 4.33Å; E2304-Q2337 HydrophobicContact CG-CG 4.38Å; E2304-Q2337 PolarHBondContact OE1-NE2 3.3Å; E2304-Q2339 HydrophobicContact CG-CB 4.35Å; E2304-Q2339 PolarHBondContact OE1-NE2 3.1Å; E2304-Q2339 PolarHBondContact OE1-OE1 2.83Å; E2304-Q2339 PolarHBondContact OE2-NE2 2.98Å; E2304-Q2339 PolarHBondContact OE2-OE1 2.79Å; E2304-K2365 IonicContact OE1-NZ 2.71Å; E2304-K2365 PolarHBondContact OE1-NZ 3.08Å
2305	I	33.1	Very low	29.6	Very low	40 Å²	40	87.7 Å²	87.7	21%	0.205	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	101.7	168.6	-57.7	176.9	0	0	0	107	L2288 F2290 N2303 I2307 Y2326 L2338 Q2339	L2288-I2305 HydrophobicContact CD1-CD1 4.05Å; F2290-I2305 HydrophobicContact CE2-CD1 4.48Å; F2290-I2305 HydrophobicContact CZ-CD1 4.33Å; N2303-I2305 PolarHBondContact O-N 3.05Å; I2305-I2307 HydrophobicContact CG2-CD1 4.15Å; I2305-I2307 HydrophobicContact CG2-CG1 4.06Å; I2305-I2307 PolarHBondContact O-N 2.67Å; I2305-Y2326 HydrophobicContact CD1-CD2 3.89Å; I2305-Y2326 HydrophobicContact CD1-CE2 4.1Å; I2305-L2338 HydrophobicContact CB-CD2 4.06Å; I2305-L2338 HydrophobicContact CD1-CD2 3.77Å; I2305-L2338 HydrophobicContact CG2-CD2 4.41Å; I2305-Q2339 PolarHBondContact N-O 3Å
2306	N	30.9	Very low	29.8	Very low	24.4 Å²	24.4	89.5 Å²	89.5	13%	0.13	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	111.2	176.9	-65.7	-41.1	0	0	0	109.3	N2175 N2176 I2177 I2235 I2236 E2304 Y2308 Q2339 K2341	N2175-N2306 PolarHBondContact O-N 2.76Å; N2176-N2306 WeakPolarHBondContact OD1-CB 3.49Å; N2176-N2306 PolarHBondContact OD1-ND2 3.2Å; I2177-N2306 PolarHBondContact N-O 3.44Å; I2177-N2306 VanDerWaalsContact N-O 3.15Å; I2235-N2306 HydrophobicContact CG2-CB 4.24Å; I2236-N2306 CarbonylContact C-O 3.52Å; I2236-N2306 PolarHBondContact N-O 3.27Å; I2236-N2306 VanDerWaalsContact N-O 3.15Å; E2304-N2306 PolarHBondContact O-N 2.94Å; E2304-N2306 PolarHBondContact OE2-ND2 2.75Å; N2306-Y2308 HydrophobicContact CB-CD2 4.4Å; N2306-Y2308 HydrophobicContact CB-CE2 3.65Å; N2306-Y2308 WeakPolarHBondContact O-CD2 3.39Å; N2306-Q2339 WeakPolarHBondContact OD1-CB 3.49Å; N2306-Q2339 PolarHBondContact OD1-O 2.96Å; N2306-K2341 PolarHBondContact OD1-O 3.22Å
2307	I	32.5	Very low	29.9	Very low	33.8 Å²	33.8	91.2 Å²	91.2	17%	0.173	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.2	174.6	-57.5	176.2	0	0	0	108.2	I2177 I2236 I2238 F2286 I2305 L2309 L2324 Y2326 L2342 I2343	I2177-I2307 WeakPolarHBondContact O-CA 3.45Å; I2236-I2307 WeakPolarHBondContact O-CA 3.43Å; I2238-I2307 HydrophobicContact CD1-CG2 4.14Å; F2286-I2307 HydrophobicContact CD1-CD1 4.38Å; F2286-I2307 HydrophobicContact CE1-CG2 4.37Å; F2286-I2307 HydrophobicContact CG-CD1 4.43Å; F2286-I2307 HydrophobicContact CZ-CG2 4.14Å; I2305-I2307 HydrophobicContact CG2-CD1 4.15Å; I2305-I2307 HydrophobicContact CG2-CG1 4.06Å; I2305-I2307 PolarHBondContact O-N 2.67Å; I2307-L2309 HydrophobicContact CG2-CD1 4.39Å; I2307-L2309 HydrophobicContact CG2-CG 4.2Å; I2307-L2324 HydrophobicContact CD1-CD1 3.6Å; I2307-L2324 HydrophobicContact CD1-CD2 4Å; I2307-L2324 HydrophobicContact CD1-CG 3.94Å; I2307-L2324 HydrophobicContact CG2-CD1 4.45Å; I2307-Y2326 HydrophobicContact CD1-CE2 4.39Å; I2307-L2342 HydrophobicContact CB-CD1 4.45Å; I2307-L2342 HydrophobicContact CB-CD2 4.26Å; I2307-L2342 HydrophobicContact CD1-CD1 4.31Å; I2307-L2342 HydrophobicContact CD1-CD2 3.99Å; I2307-L2342 HydrophobicContact CG1-CD2 4.34Å; I2307-I2343 VanDerWaalsContact O-O 3.07Å
2308	Y	30.6	Very low	30.1	Very low	82.4 Å²	82.4	91.4 Å²	91.4	32%	0.323	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.9	172.9	-59.7	-77.8	0	0	0	109.7	I2177 L2179 E2237 I2238 N2239 K2250 N2306 I2343	I2177-Y2308 PolarHBondContact O-N 3.47Å; L2179-Y2308 PolarHBondContact N-O 2.79Å; L2179-Y2308 VanDerWaalsContact N-O 3.08Å; E2237-Y2308 HydrophobicContact CG-CD2 3.99Å; E2237-Y2308 HydrophobicContact CG-CE2 4.22Å; E2237-Y2308 HydrophobicContact CG-CG 4.41Å; I2238-Y2308 CarbonylContact C-O 3.55Å; I2238-Y2308 PolarHBondContact N-O 2.83Å; N2239-Y2308 WeakPolarHBondContact OD1-CD2 3.27Å; N2239-Y2308 WeakPolarHBondContact OD1-CE2 3.46Å; K2250-Y2308 HydrophobicContact CB-CD2 4.16Å; K2250-Y2308 HydrophobicContact CB-CE2 4.15Å; K2250-Y2308 HydrophobicContact CD-CD2 4.11Å; K2250-Y2308 HydrophobicContact CD-CE2 3.94Å; K2250-Y2308 HydrophobicContact CG-CD2 4.33Å; K2250-Y2308 HydrophobicContact CG-CE2 4.46Å; N2306-Y2308 HydrophobicContact CB-CD2 4.4Å; N2306-Y2308 HydrophobicContact CB-CE2 3.65Å; N2306-Y2308 WeakPolarHBondContact O-CD2 3.39Å; Y2308-I2343 HydrophobicContact CE1-CB 4.44Å; Y2308-I2343 HydrophobicContact CE1-CD1 4.2Å; Y2308-I2343 HydrophobicContact CE1-CG2 4.4Å
2309	L	33.7	Very low	30.3	Very low	51.8 Å²	51.8	92.2 Å²	92.2	27%	0.271	46%	0.457	S	S	.	.			trans	-123.5	86.9	170.7	-72.6	172.4	0	0	0	108.3	L2179 I2238 L2241 Y2247 N2284 F2286 I2307 N2311 T2322 L2324 L2342 I2344	L2179-L2309 HydrophobicContact CB-CD2 3.99Å; L2179-L2309 HydrophobicContact CD1-CD2 4.16Å; I2238-L2309 HydrophobicContact CB-CD2 4.11Å; I2238-L2309 HydrophobicContact CD1-CD2 4.44Å; I2238-L2309 HydrophobicContact CG2-CD2 4.08Å; L2241-L2309 HydrophobicContact CD1-CD2 4.25Å; Y2247-L2309 HydrophobicContact CD1-CD2 3.86Å; Y2247-L2309 HydrophobicContact CE1-CD2 4.34Å; N2284-L2309 VanDerWaalsContact ND2-CD1 3.31Å; N2284-L2309 WeakPolarHBondContact ND2-CD1 3.4Å; F2286-L2309 HydrophobicContact CE2-CD1 4.13Å; F2286-L2309 HydrophobicContact CZ-CD1 4.07Å; F2286-L2309 HydrophobicContact CZ-CD2 4.31Å; F2286-L2309 HydrophobicContact CZ-CG 4.3Å; I2307-L2309 HydrophobicContact CG2-CD1 4.39Å; I2307-L2309 HydrophobicContact CG2-CG 4.2Å; L2309-N2311 PolarHBondContact O-N 2.9Å; L2309-N2311 VanDerWaalsContact O-N 3.09Å; L2309-T2322 HydrophobicContact CD1-CG2 3.72Å; L2309-L2324 HydrophobicContact CD1-CD1 3.58Å; L2309-L2324 HydrophobicContact CD2-CD1 3.9Å; L2309-L2324 HydrophobicContact CG-CD1 4.42Å; L2309-L2342 HydrophobicContact CB-CD2 4.41Å; L2309-L2342 HydrophobicContact CD1-CD1 4.48Å; L2309-L2342 HydrophobicContact CD1-CD2 4.38Å; L2309-I2344 HydrophobicContact CB-CD1 4.13Å; L2309-I2344 HydrophobicContact CB-CG1 4.31Å; L2309-I2344 HydrophobicContact CD1-CD1 4.12Å; L2309-I2344 HydrophobicContact CG-CD1 4.2Å
2310	E	33.7	Very low	30.7	Very low	113.8 Å²	113.8	87.6 Å²	87.6	53%	0.532	44%	0.437	S	S	.	.			trans	-87.7	103.7	171.1	-73.7	-163.6	163.5	0	0	110.1	T2180 N2312	T2180-E2310 HydrophobicContact CG2-CB 4.4Å; E2310-N2312 WeakPolarHBondContact CB-ND2 3.43Å; E2310-N2312 PolarHBondContact O-N 3.15Å; E2310-N2312 PolarHBondContact OE2-ND2 3.43Å
2311	N	35.9	Very low	31.2	Very low	81.4 Å²	81.4	82.5 Å²	82.5	44%	0.435	42%	0.415	S	S	.	.			trans	-89	88.3	170.6	-149	-1.1	0	0	0	108.4	Q2240 L2309 N2313 D2320	Q2240-N2311 PolarHBondContact OE1-OD1 2.57Å; L2309-N2311 PolarHBondContact O-N 2.9Å; L2309-N2311 VanDerWaalsContact O-N 3.09Å; N2311-N2313 PolarHBondContact O-N 3.01Å; N2311-N2313 VanDerWaalsContact O-N 3.1Å; N2311-N2313 PolarHBondContact OD1-ND2 3.17Å; N2311-D2320 PolarHBondContact ND2-OD2 3.14Å
2312	N	34	Very low	31.7	Very low	106.2 Å²	106.2	79.6 Å²	79.6	57%	0.568	40%	0.402	S	S	*	.			trans	-74.5	18.4	-174.3	-79.6	-34.9	0	0	0	114	Q2240 E2310	Q2240-N2312 PolarHBondContact NE2-ND2 2.9Å; E2310-N2312 WeakPolarHBondContact CB-ND2 3.43Å; E2310-N2312 PolarHBondContact O-N 3.15Å; E2310-N2312 PolarHBondContact OE2-ND2 3.43Å
2313	N	32.2	Very low	32.3	Very low	75.6 Å²	75.6	77.4 Å²	77.4	40%	0.404	39%	0.388	S	S	.	.	S	Bend	trans	-115.6	128.6	-177.7	-64.9	-46.9	0	0	0	111.2	N2242 K2243 Q2244 N2311 I2315	N2242-N2313 PolarHBondContact OD1-ND2 3.35Å; K2243-N2313 WeakPolarHBondContact CE-OD1 3.24Å; Q2244-N2313 PolarHBondContact O-ND2 3.31Å; N2311-N2313 PolarHBondContact O-N 3.01Å; N2311-N2313 VanDerWaalsContact O-N 3.1Å; N2311-N2313 PolarHBondContact OD1-ND2 3.17Å; N2313-I2315 VanDerWaalsContact C-N 3.32Å; N2313-I2315 HydrophobicContact CB-CD1 4.04Å; N2313-I2315 HydrophobicContact CB-CG1 4.07Å; N2313-I2315 PolarHBondContact O-N 3.04Å
2314	K	31.1	Very low	32.8	Very low	221.2 Å²	221.2	75.9 Å²	75.9	96%	0.962	38%	0.379	S	S	*	.			trans	-73.1	54.1	174.9	-67.9	-179.7	175.7	177.9	0	112.8
2315	I	29.5	Very low	33.3	Very low	112.2 Å²	112.2	74.5 Å²	74.5	58%	0.575	37%	0.374	S	S	*	.			trans	-113.9	129.5	179.4	-56.7	175.5	0	0	0	109.2	L2282 N2313 N2319	L2282-I2315 HydrophobicContact CD1-CD1 3.81Å; N2313-I2315 VanDerWaalsContact C-N 3.32Å; N2313-I2315 HydrophobicContact CB-CD1 4.04Å; N2313-I2315 HydrophobicContact CB-CG1 4.07Å; N2313-I2315 PolarHBondContact O-N 3.04Å; I2315-N2319 HydrophobicContact CG2-CB 4.48Å
2316	D	30.7	Very low	33.6	Very low	115.2 Å²	115.2	73.6 Å²	73.6	62%	0.616	37%	0.368	S	S	*	.			trans	-17.9	132.6	177.9	-78.9	-35.6	0	0	0	116.5	F2318 N2319	D2316-F2318 HydrophobicContact CB-CD2 3.79Å; D2316-F2318 HydrophobicContact CB-CE2 3.76Å; D2316-F2318 PolarHBondContact O-N 2.94Å; D2316-N2319 WeakPolarHBondContact O-CB 3.19Å; D2316-N2319 PolarHBondContact O-N 3.13Å
2317	P	30.5	Very low	34	Very low	82.6 Å²	82.6	73.4 Å²	73.4	54%	0.536	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	32.5	-177.4	30.7	-35.2	0	0	0	113.1	N2319 N2345 K2346 N2347	P2317-N2319 VanDerWaalsContact C-N 3.31Å; P2317-N2345 HydrophobicContact CB-CB 4.01Å; P2317-N2345 WeakPolarHBondContact CB-ND2 3.41Å; P2317-K2346 HydrophobicContact CB-CB 4.2Å; P2317-N2347 PolarHBondContact O-OD1 3Å
2318	F	28.5	Very low	34.4	Very low	139.4 Å²	139.4	72.8 Å²	72.8	61%	0.611	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	28.5	172.5	-78	-85.7	0	0	0	112.6	K2280 D2316 D2320	K2280-F2318 HydrophobicContact CB-CD1 4.14Å; K2280-F2318 HydrophobicContact CB-CE1 4.25Å; K2280-F2318 HydrophobicContact CD-CD1 3.9Å; K2280-F2318 HydrophobicContact CD-CE1 3.57Å; K2280-F2318 HydrophobicContact CD-CE2 4.48Å; K2280-F2318 HydrophobicContact CD-CZ 3.67Å; K2280-F2318 HydrophobicContact CG-CE1 4.24Å; D2316-F2318 HydrophobicContact CB-CD2 3.79Å; D2316-F2318 HydrophobicContact CB-CE2 3.76Å; D2316-F2318 PolarHBondContact O-N 2.94Å; F2318-D2320 PolarHBondContact O-N 3.12Å
2319	N	31	Very low	34.8	Very low	64.2 Å²	64.2	72.4 Å²	72.4	34%	0.343	37%	0.367	S	S	.	.	S	Bend	trans	-89.6	20.9	-173.6	-76.5	-33.2	0	0	0	113.6	K2280 I2281 L2282 I2315 D2316 P2317 I2321 N2433	K2280-N2319 VanDerWaalsContact O-CB 3.25Å; K2280-N2319 WeakPolarHBondContact O-CB 3.45Å; I2281-N2319 CarbonylContact C-O 3.49Å; I2281-N2319 VanDerWaalsContact C-O 3.3Å; I2281-N2319 WeakPolarHBondContact CA-O 3.34Å; I2281-N2319 HydrophobicContact CG1-CB 4.29Å; I2281-N2319 VanDerWaalsContact CG2-O 3.28Å; I2281-N2319 WeakPolarHBondContact CG2-O 3.44Å; L2282-N2319 PolarHBondContact N-O 3.1Å; I2315-N2319 HydrophobicContact CG2-CB 4.48Å; D2316-N2319 WeakPolarHBondContact O-CB 3.19Å; D2316-N2319 PolarHBondContact O-N 3.13Å; P2317-N2319 VanDerWaalsContact C-N 3.31Å; N2319-I2321 PolarHBondContact O-N 2.95Å; N2319-I2321 VanDerWaalsContact O-N 3.15Å; N2319-N2433 PolarHBondContact ND2-ND2 2.86Å
2320	D	32.7	Very low	34.8	Very low	38.4 Å²	38.4	70.9 Å²	70.9	21%	0.205	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	101.6	179.5	-72	-11.3	0	0	0	110.7	L2282 N2311 F2318 T2322 N2347	L2282-D2320 HydrophobicContact CB-CB 4.48Å; L2282-D2320 VanDerWaalsContact CB-OD1 3.26Å; L2282-D2320 WeakPolarHBondContact CB-OD1 3.29Å; L2282-D2320 WeakPolarHBondContact CD1-OD1 3.31Å; L2282-D2320 PolarHBondContact N-OD1 3.44Å; L2282-D2320 CarbonylContact O-C 3.52Å; L2282-D2320 WeakPolarHBondContact O-CA 3.38Å; N2311-D2320 PolarHBondContact ND2-OD2 3.14Å; F2318-D2320 PolarHBondContact O-N 3.12Å; D2320-T2322 VanDerWaalsContact C-N 3.31Å; D2320-T2322 PolarHBondContact O-N 2.84Å; D2320-N2347 VanDerWaalsContact CB-ND2 3.28Å; D2320-N2347 WeakPolarHBondContact CB-ND2 3.45Å; D2320-N2347 WeakPolarHBondContact O-CB 3.1Å; D2320-N2347 PolarHBondContact O-ND2 3.17Å; D2320-N2347 VanDerWaalsContact O-ND2 3.14Å; D2320-N2347 PolarHBondContact O-OD1 2.76Å
2321	I	35.7	Very low	34.8	Very low	66.4 Å²	66.4	70.3 Å²	70.3	34%	0.341	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	103.7	172.6	-59.4	175.4	0	0	0	108.1	I2281 L2282 F2283 N2284 N2319 I2323 F2350	I2281-I2321 HydrophobicContact CG2-CB 4.48Å; I2281-I2321 HydrophobicContact CG2-CD1 4.04Å; I2281-I2321 HydrophobicContact CG2-CG1 4.11Å; L2282-I2321 PolarHBondContact O-N 3.03Å; L2282-I2321 VanDerWaalsContact O-N 3.1Å; L2282-I2321 VanDerWaalsContact O-O 3.13Å; F2283-I2321 CarbonylContact C-O 3.53Å; F2283-I2321 WeakPolarHBondContact CA-O 3.3Å; F2283-I2321 HydrophobicContact CD1-CG2 4.42Å; F2283-I2321 HydrophobicContact CD2-CB 3.99Å; F2283-I2321 HydrophobicContact CD2-CD1 4.24Å; F2283-I2321 HydrophobicContact CD2-CG1 4.36Å; F2283-I2321 HydrophobicContact CD2-CG2 4.12Å; F2283-I2321 HydrophobicContact CE1-CB 4Å; F2283-I2321 HydrophobicContact CE1-CG2 4.05Å; F2283-I2321 HydrophobicContact CE2-CB 4.09Å; F2283-I2321 HydrophobicContact CE2-CD1 3.9Å; F2283-I2321 HydrophobicContact CE2-CG1 4.35Å; F2283-I2321 HydrophobicContact CE2-CG2 3.87Å; F2283-I2321 HydrophobicContact CG-CB 4.31Å; F2283-I2321 HydrophobicContact CZ-CB 4.24Å; F2283-I2321 HydrophobicContact CZ-CD1 3.97Å; F2283-I2321 HydrophobicContact CZ-CG1 4.41Å; F2283-I2321 HydrophobicContact CZ-CG2 4.02Å; N2284-I2321 PolarHBondContact N-O 3.16Å; N2284-I2321 VanDerWaalsContact N-O 3.13Å; N2319-I2321 PolarHBondContact O-N 2.95Å; N2319-I2321 VanDerWaalsContact O-N 3.15Å; I2321-I2323 HydrophobicContact CG2-CD1 4.43Å; I2321-I2323 HydrophobicContact CG2-CG1 4.1Å; I2321-I2323 PolarHBondContact O-N 2.98Å; I2321-F2350 HydrophobicContact CG2-CE2 4.48Å
2322	T	36.3	Very low	34.6	Very low	19.8 Å²	19.8	70.6 Å²	70.6	12%	0.121	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	113.2	175.6	-6.6	0	0	0	0	110.1	N2284 F2286 L2309 D2320 I2344 N2347	N2284-T2322 HydrophobicContact CB-CG2 4.16Å; N2284-T2322 CarbonylContact O-C 3.46Å; N2284-T2322 WeakPolarHBondContact O-CA 3.44Å; F2286-T2322 HydrophobicContact CD2-CG2 4.04Å; F2286-T2322 HydrophobicContact CE2-CG2 3.98Å; L2309-T2322 HydrophobicContact CD1-CG2 3.72Å; D2320-T2322 VanDerWaalsContact C-N 3.31Å; D2320-T2322 PolarHBondContact O-N 2.84Å; T2322-I2344 HydrophobicContact CG2-CD1 4.3Å; T2322-N2347 PolarHBondContact OG1-ND2 3.13Å
2323	I	38.7	Very low	34.3	Very low	29.6 Å²	29.6	72.8 Å²	72.8	15%	0.152	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.4	176	-60	-173.2	0	0	0	108.8	F2283 N2284 L2285 F2286 I2321 N2325 F2350	F2283-I2323 HydrophobicContact CD1-CD1 4.37Å; F2283-I2323 HydrophobicContact CD1-CG1 4.42Å; F2283-I2323 HydrophobicContact CE1-CD1 3.56Å; F2283-I2323 VanDerWaalsContact CE1-CD1 3.41Å; F2283-I2323 HydrophobicContact CE1-CG1 4.02Å; F2283-I2323 HydrophobicContact CE2-CD1 4.16Å; F2283-I2323 HydrophobicContact CZ-CD1 3.54Å; F2283-I2323 HydrophobicContact CZ-CG1 4.09Å; N2284-I2323 PolarHBondContact O-N 3.02Å; L2285-I2323 WeakPolarHBondContact CA-O 3.28Å; L2285-I2323 HydrophobicContact CD1-CB 3.99Å; L2285-I2323 HydrophobicContact CD1-CD1 4.28Å; L2285-I2323 HydrophobicContact CD1-CG2 3.74Å; L2285-I2323 HydrophobicContact CG-CB 4.45Å; L2285-I2323 HydrophobicContact CG-CG2 4.38Å; F2286-I2323 PolarHBondContact N-O 3.07Å; I2321-I2323 HydrophobicContact CG2-CD1 4.43Å; I2321-I2323 HydrophobicContact CG2-CG1 4.1Å; I2321-I2323 PolarHBondContact O-N 2.98Å; I2323-N2325 PolarHBondContact O-N 2.96Å; I2323-F2350 HydrophobicContact CB-CB 4.37Å; I2323-F2350 HydrophobicContact CD1-CB 4.37Å; I2323-F2350 HydrophobicContact CD1-CD2 4.28Å; I2323-F2350 HydrophobicContact CD1-CG 4.37Å; I2323-F2350 HydrophobicContact CG1-CB 4.15Å; I2323-F2350 HydrophobicContact CG1-CD2 4.1Å; I2323-F2350 HydrophobicContact CG1-CG 4.34Å; I2323-F2350 HydrophobicContact CG2-CB 4.13Å
2324	L	37.7	Very low	34.2	Very low	25 Å²	25	70.2 Å²	70.2	13%	0.131	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	93.8	174.2	-86.5	151.2	0	0	0	109.6	F2286 I2307 L2309 Y2326 L2342 L2349 F2350 L2351	F2286-L2324 HydrophobicContact CB-CD2 3.98Å; F2286-L2324 HydrophobicContact CB-CG 4.38Å; F2286-L2324 HydrophobicContact CD2-CD2 4.37Å; F2286-L2324 HydrophobicContact CG-CD2 4.38Å; F2286-L2324 CarbonylContact O-C 3.54Å; I2307-L2324 HydrophobicContact CD1-CD1 3.6Å; I2307-L2324 HydrophobicContact CD1-CD2 4Å; I2307-L2324 HydrophobicContact CD1-CG 3.94Å; I2307-L2324 HydrophobicContact CG2-CD1 4.45Å; L2309-L2324 HydrophobicContact CD1-CD1 3.58Å; L2309-L2324 HydrophobicContact CD2-CD1 3.9Å; L2309-L2324 HydrophobicContact CG-CD1 4.42Å; L2324-Y2326 PolarHBondContact O-N 3.31Å; L2324-Y2326 VanDerWaalsContact O-N 3.16Å; L2324-L2342 HydrophobicContact CD1-CD1 3.44Å; L2324-L2342 VanDerWaalsContact CD1-CD1 3.44Å; L2324-L2342 HydrophobicContact CD1-CD2 4.15Å; L2324-L2342 HydrophobicContact CD1-CG 4.29Å; L2324-L2342 HydrophobicContact CD2-CD1 4.41Å; L2324-L2349 HydrophobicContact CB-CD2 4.43Å; L2324-L2349 HydrophobicContact CD1-CD2 3.85Å; L2324-L2349 HydrophobicContact CD1-CG 4.22Å; L2324-F2350 CarbonylContact C-O 3.46Å; L2324-F2350 WeakPolarHBondContact CA-O 3.46Å; L2324-F2350 PolarHBondContact N-O 2.81Å; L2324-F2350 VanDerWaalsContact O-O 3.08Å; L2324-L2351 HydrophobicContact CB-CD2 4.31Å
2325	N	39.9	Very low	34	Very low	40.2 Å²	40.2	68.4 Å²	68.4	22%	0.215	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	102.5	169.4	-86.9	-11.8	0	0	0	109.2	L2285 F2286 T2287 L2288 I2323 K2352	L2285-N2325 HydrophobicContact CD1-CB 4.18Å; F2286-N2325 WeakPolarHBondContact O-CA 3.45Å; F2286-N2325 PolarHBondContact O-N 3.12Å; T2287-N2325 CarbonylContact C-O 3.53Å; T2287-N2325 VanDerWaalsContact CA-O 3.31Å; T2287-N2325 WeakPolarHBondContact CA-O 3.33Å; T2287-N2325 HydrophobicContact CG2-CB 3.8Å; L2288-N2325 PolarHBondContact N-O 3.11Å; L2288-N2325 VanDerWaalsContact N-O 3.12Å; I2323-N2325 PolarHBondContact O-N 2.96Å; N2325-K2352 VanDerWaalsContact OD1-CB 3.3Å; N2325-K2352 WeakPolarHBondContact OD1-CB 3.27Å
2326	Y	39.5	Very low	33.9	Very low	22.6 Å²	22.6	65.5 Å²	65.5	9%	0.089	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	107.1	174.1	-175.7	-98.4	0	0	0	109.1	L2288 F2290 I2305 I2307 L2324 L2328 L2338 K2352 Y2353	L2288-Y2326 HydrophobicContact CB-CD2 4.29Å; L2288-Y2326 HydrophobicContact CD1-CD2 4.39Å; F2290-Y2326 HydrophobicContact CD2-CD2 4.37Å; F2290-Y2326 AromaticContact CD2-CE2 3.71Å; F2290-Y2326 HydrophobicContact CD2-CE2 3.81Å; F2290-Y2326 HydrophobicContact CE2-CD2 4.39Å; F2290-Y2326 AromaticContact CE2-CE2 3.68Å; F2290-Y2326 HydrophobicContact CE2-CE2 3.68Å; F2290-Y2326 VanDerWaalsContact CE2-CE2 3.49Å; I2305-Y2326 HydrophobicContact CD1-CD2 3.89Å; I2305-Y2326 HydrophobicContact CD1-CE2 4.1Å; I2307-Y2326 HydrophobicContact CD1-CE2 4.39Å; L2324-Y2326 PolarHBondContact O-N 3.31Å; L2324-Y2326 VanDerWaalsContact O-N 3.16Å; Y2326-L2328 HydrophobicContact CD1-CB 4.38Å; Y2326-L2328 HydrophobicContact CE1-CB 3.79Å; Y2326-L2328 VanDerWaalsContact CE1-CB 3.45Å; Y2326-L2328 HydrophobicContact CE1-CD1 4.11Å; Y2326-L2328 HydrophobicContact CE1-CD2 3.92Å; Y2326-L2328 HydrophobicContact CE1-CG 4.24Å; Y2326-L2328 PolarHBondContact O-N 2.88Å; Y2326-L2328 WeakPolarHBondContact OH-CD1 3.37Å; Y2326-L2338 HydrophobicContact CD1-CD1 4.22Å; Y2326-L2338 HydrophobicContact CD2-CD2 4.43Å; Y2326-L2338 HydrophobicContact CE1-CD1 3.67Å; Y2326-L2338 VanDerWaalsContact CE1-CD1 3.47Å; Y2326-L2338 HydrophobicContact CE1-CD2 4.35Å; Y2326-L2338 HydrophobicContact CE1-CG 4.47Å; Y2326-L2338 HydrophobicContact CE2-CD1 4.38Å; Y2326-L2338 HydrophobicContact CE2-CD2 3.72Å; Y2326-K2352 CarbonylContact C-O 3.5Å; Y2326-K2352 PolarHBondContact N-O 2.8Å; Y2326-K2352 CarbonylContact O-C 3.55Å; Y2326-K2352 VanDerWaalsContact O-O 3.1Å; Y2326-Y2353 HydrophobicContact CD1-CD1 4.27Å; Y2326-Y2353 AromaticContact CD1-CE1 3.84Å; Y2326-Y2353 HydrophobicContact CD1-CE1 4.04Å; Y2326-Y2353 HydrophobicContact CE1-CE1 4.29Å
2327	S	40	Very low	33.9	Very low	20.6 Å²	20.6	64.1 Å²	64.1	14%	0.144	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.5	173.2	74.8	0	0	0	0	110.2	L2288 N2289 F2290	L2288-S2327 PolarHBondContact O-N 3.15Å; L2288-S2327 PolarHBondContact O-OG 3.27Å; N2289-S2327 WeakPolarHBondContact CA-O 3.41Å; N2289-S2327 WeakPolarHBondContact CA-OG 3.28Å; N2289-S2327 WeakPolarHBondContact CB-OG 3.39Å; N2289-S2327 VanDerWaalsContact CG-OG 3.28Å; N2289-S2327 PolarHBondContact OD1-OG 3.08Å; N2289-S2327 VanDerWaalsContact OD1-OG 3.08Å; F2290-S2327 PolarHBondContact N-O 3.1Å; F2290-S2327 VanDerWaalsContact N-O 3.11Å
2328	L	40.2	Very low	33.9	Very low	20.6 Å²	20.6	62.4 Å²	62.4	11%	0.108	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	96.1	-176.2	-176.1	83	0	0	0	107.6	F2290 L2292 Y2326 I2330 C2336 Y2353 E2354	F2290-L2328 HydrophobicContact CB-CD1 4.15Å; F2290-L2328 HydrophobicContact CD2-CD1 4.49Å; L2292-L2328 HydrophobicContact CD1-CD1 4.2Å; Y2326-L2328 HydrophobicContact CD1-CB 4.38Å; Y2326-L2328 HydrophobicContact CE1-CB 3.79Å; Y2326-L2328 VanDerWaalsContact CE1-CB 3.45Å; Y2326-L2328 HydrophobicContact CE1-CD1 4.11Å; Y2326-L2328 HydrophobicContact CE1-CD2 3.92Å; Y2326-L2328 HydrophobicContact CE1-CG 4.24Å; Y2326-L2328 PolarHBondContact O-N 2.88Å; Y2326-L2328 WeakPolarHBondContact OH-CD1 3.37Å; L2328-I2330 HydrophobicContact CD1-CD1 4.16Å; L2328-I2330 HydrophobicContact CD1-CG1 4.32Å; L2328-I2330 HydrophobicContact CD2-CD1 3.45Å; L2328-I2330 HydrophobicContact CD2-CG1 4.04Å; L2328-I2330 HydrophobicContact CG-CD1 3.82Å; L2328-I2330 VanDerWaalsContact CG-CD1 3.47Å; L2328-I2330 HydrophobicContact CG-CG1 3.87Å; L2328-I2330 PolarHBondContact O-N 3.25Å; L2328-C2336 HydrophobicContact CD2-CB 4.3Å; L2328-Y2353 HydrophobicContact CD2-CE1 4.45Å; L2328-E2354 CarbonylContact C-O 3.45Å; L2328-E2354 VanDerWaalsContact O-O 3.1Å
2329	Q	39	Very low	33.9	Very low	74.2 Å²	74.2	58.1 Å²	58.1	35%	0.347	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	103.2	178.3	-130.3	178.8	8.9	0	0	109.4	F2290 Y2291 L2292 E2354	F2290-Q2329 PolarHBondContact O-N 3.09Å; F2290-Q2329 VanDerWaalsContact O-N 3.09Å; Y2291-Q2329 HydrophobicContact CD1-CB 4.46Å; Y2291-Q2329 VanDerWaalsContact CD1-OE1 3.24Å; Y2291-Q2329 HydrophobicContact CE1-CB 4.38Å; Y2291-Q2329 HydrophobicContact CE1-CG 4.45Å; Y2291-Q2329 VanDerWaalsContact CE1-OE1 3.28Å; Y2291-Q2329 PolarHBondContact OH-OE1 3.29Å; L2292-Q2329 PolarHBondContact N-O 3.16Å; L2292-Q2329 VanDerWaalsContact N-O 3.17Å; Q2329-E2354 PolarHBondContact NE2-OE2 3.23Å
2330	I	35.1	Very low	33.9	Very low	20.6 Å²	20.6	57.1 Å²	57.1	11%	0.106	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.3	177.2	-59.7	174.4	0	0	0	108.6	L2328 N2332 I2334 L2357	L2328-I2330 HydrophobicContact CD1-CD1 4.16Å; L2328-I2330 HydrophobicContact CD1-CG1 4.32Å; L2328-I2330 HydrophobicContact CD2-CD1 3.45Å; L2328-I2330 HydrophobicContact CD2-CG1 4.04Å; L2328-I2330 HydrophobicContact CG-CD1 3.82Å; L2328-I2330 VanDerWaalsContact CG-CD1 3.47Å; L2328-I2330 HydrophobicContact CG-CG1 3.87Å; L2328-I2330 PolarHBondContact O-N 3.25Å; I2330-N2332 VanDerWaalsContact C-N 3.28Å; I2330-N2332 WeakPolarHBondContact CG2-O 3.39Å; I2330-N2332 PolarHBondContact O-N 3.3Å; I2330-I2334 HydrophobicContact CD1-CB 4.32Å; I2330-I2334 HydrophobicContact CD1-CD1 4.29Å; I2330-I2334 HydrophobicContact CG1-CD1 4.12Å; I2330-I2334 HydrophobicContact CG2-CB 4.24Å; I2330-I2334 HydrophobicContact CG2-CD1 3.66Å; I2330-I2334 HydrophobicContact CG2-CG1 4.05Å; I2330-L2357 HydrophobicContact CB-CD1 4.35Å; I2330-L2357 HydrophobicContact CD1-CD1 4.31Å; I2330-L2357 HydrophobicContact CG2-CD1 4.09Å; I2330-L2357 HydrophobicContact CG2-CD2 4.09Å; I2330-L2357 HydrophobicContact CG2-CG 4.28Å
2331	N	33	Very low	33.6	Very low	101 Å²	101	60.8 Å²	60.8	54%	0.54	30%	0.301	S	S	.	.	S	Bend	trans	-88.7	-11.1	179.9	-72.1	-26.8	0	0	0	114.1	N2293	N2293-N2331 PolarHBondContact OD1-ND2 3.15Å
2332	N	32	Very low	33.4	Very low	87.2 Å²	87.2	58.8 Å²	58.8	47%	0.466	29%	0.291	S	S	.	.	S	Bend	trans	-134.9	157.7	-176.8	-71.9	-24.3	0	0	0	111.9	P2295 I2330 I2334	P2295-N2332 HydrophobicContact CB-CB 4.19Å; I2330-N2332 VanDerWaalsContact C-N 3.28Å; I2330-N2332 WeakPolarHBondContact CG2-O 3.39Å; I2330-N2332 PolarHBondContact O-N 3.3Å; N2332-I2334 WeakPolarHBondContact O-CG1 3.39Å; N2332-I2334 PolarHBondContact O-N 3.2Å
2333	Q	27	Very low	32.9	Very low	151.8 Å²	151.8	62.4 Å²	62.4	71%	0.709	31%	0.309	S	S	*	.			trans	-60	117.3	-177.6	-70.7	176.9	-25.4	0	0	113	S1827 L2357	S1827-Q2333 VanDerWaalsContact OG-CD 3.27Å; S1827-Q2333 PolarHBondContact OG-NE2 3.33Å; S1827-Q2333 PolarHBondContact OG-OE1 3.41Å; Q2333-L2357 HydrophobicContact CB-CD2 4.15Å; Q2333-L2357 HydrophobicContact CG-CD2 3.79Å
2334	I	29.8	Very low	32.4	Very low	22.2 Å²	22.2	64.9 Å²	64.9	11%	0.114	32%	0.321	C	S	.	.			trans	-132.7	133	176.6	-60.8	177.1	0	0	0	109.7	I2296 M2298 I2330 N2332 C2336 Q2360	I2296-I2334 HydrophobicContact CB-CD1 4.06Å; I2296-I2334 HydrophobicContact CB-CG1 4.27Å; I2296-I2334 HydrophobicContact CB-CG2 4.44Å; I2296-I2334 HydrophobicContact CD1-CD1 3.94Å; I2296-I2334 HydrophobicContact CD1-CG1 4.41Å; I2296-I2334 HydrophobicContact CG1-CD1 4.01Å; I2296-I2334 HydrophobicContact CG1-CG1 4.33Å; I2296-I2334 WeakPolarHBondContact O-CG1 3.1Å; I2296-I2334 VanDerWaalsContact O-CG2 3.3Å; I2296-I2334 WeakPolarHBondContact O-CG2 3.41Å; M2298-I2334 HydrophobicContact CB-CG2 4.08Å; M2298-I2334 HydrophobicContact CG-CG2 3.87Å; I2330-I2334 HydrophobicContact CD1-CB 4.32Å; I2330-I2334 HydrophobicContact CD1-CD1 4.29Å; I2330-I2334 HydrophobicContact CG1-CD1 4.12Å; I2330-I2334 HydrophobicContact CG2-CB 4.24Å; I2330-I2334 HydrophobicContact CG2-CD1 3.66Å; I2330-I2334 HydrophobicContact CG2-CG1 4.05Å; N2332-I2334 WeakPolarHBondContact O-CG1 3.39Å; N2332-I2334 PolarHBondContact O-N 3.2Å; I2334-C2336 VanDerWaalsContact CG2-SG 3.55Å; I2334-C2336 PolarHBondContact O-N 2.94Å; I2334-Q2360 PolarHBondContact O-NE2 3.05Å; I2334-Q2360 PolarHBondContact O-OE1 3.21Å
2335	Y	27.3	Very low	32	Very low	182 Å²	182	69.2 Å²	69.2	71%	0.714	35%	0.345	S	S	*	.			trans	-77.2	100.9	165.5	-87.5	-89.5	0	0	0	110.1	M2298 Q2360	M2298-Y2335 WeakPolarHBondContact CB-O 3.49Å; M2298-Y2335 WeakPolarHBondContact CE-O 3.32Å; Y2335-Q2360 VanDerWaalsContact CA-CD 3.47Å; Y2335-Q2360 VanDerWaalsContact CA-NE2 3.28Å; Y2335-Q2360 HydrophobicContact CD1-CG 3.87Å; Y2335-Q2360 VanDerWaalsContact CD1-OE1 3.25Å; Y2335-Q2360 VanDerWaalsContact CE1-CD 3.43Å; Y2335-Q2360 HydrophobicContact CE1-CG 4.31Å; Y2335-Q2360 VanDerWaalsContact CZ-CD 3.48Å; Y2335-Q2360 PolarHBondContact OH-NE2 3.02Å; Y2335-Q2360 VanDerWaalsContact OH-NE2 3.15Å
2336	C	27.8	Very low	31.6	Very low	51.4 Å²	51.4	74.7 Å²	74.7	35%	0.347	37%	0.367	S	S	.	.			trans	-98.2	121.6	173.7	-72.6	0	0	0	0	111.5	L2328 I2334 Q2360	L2328-C2336 HydrophobicContact CD2-CB 4.3Å; I2334-C2336 VanDerWaalsContact CG2-SG 3.55Å; I2334-C2336 PolarHBondContact O-N 2.94Å; C2336-Q2360 PolarHBondContact O-OE1 3.13Å
2337	Q	29.1	Very low	31.2	Very low	85.4 Å²	85.4	76.1 Å²	76.1	40%	0.399	38%	0.376	S	S	.	.			trans	-105.6	96.2	168.2	-171.3	178.7	-40.4	0	0	109.7	E2304 Q2339 K2365	E2304-Q2337 WeakPolarHBondContact CA-O 3.38Å; E2304-Q2337 HydrophobicContact CG-CB 4.33Å; E2304-Q2337 HydrophobicContact CG-CG 4.38Å; E2304-Q2337 PolarHBondContact OE1-NE2 3.3Å; Q2337-Q2339 VanDerWaalsContact NE2-OE1 3.1Å; Q2337-Q2339 PolarHBondContact O-N 2.74Å; Q2337-K2365 VanDerWaalsContact OE1-CE 3.26Å
2338	L	31.1	Very low	30.9	Very low	48.4 Å²	48.4	80.4 Å²	80.4	25%	0.253	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.6	176.8	-88.1	152.9	0	0	0	111.2	N2303 I2305 Y2326 Y2353	N2303-L2338 HydrophobicContact CB-CD2 4.11Å; I2305-L2338 HydrophobicContact CB-CD2 4.06Å; I2305-L2338 HydrophobicContact CD1-CD2 3.77Å; I2305-L2338 HydrophobicContact CG2-CD2 4.41Å; Y2326-L2338 HydrophobicContact CD1-CD1 4.22Å; Y2326-L2338 HydrophobicContact CD2-CD2 4.43Å; Y2326-L2338 HydrophobicContact CE1-CD1 3.67Å; Y2326-L2338 VanDerWaalsContact CE1-CD1 3.47Å; Y2326-L2338 HydrophobicContact CE1-CD2 4.35Å; Y2326-L2338 HydrophobicContact CE1-CG 4.47Å; Y2326-L2338 HydrophobicContact CE2-CD1 4.38Å; Y2326-L2338 HydrophobicContact CE2-CD2 3.72Å; L2338-Y2353 HydrophobicContact CD1-CE1 4.07Å; L2338-Y2353 WeakPolarHBondContact CD1-OH 3.39Å
2339	Q	29.9	Very low	30.7	Very low	48.2 Å²	48.2	80.7 Å²	80.7	23%	0.225	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	95.2	167.2	-86.9	-175.7	-58.2	0	0	109.8	N2303 E2304 I2305 N2306 Q2337 K2341 K2365	N2303-Q2339 CarbonylContact C-O 3.56Å; N2303-Q2339 CarbonylContact O-C 3.52Å; N2303-Q2339 PolarHBondContact O-N 2.95Å; E2304-Q2339 HydrophobicContact CG-CB 4.35Å; E2304-Q2339 PolarHBondContact OE1-NE2 3.1Å; E2304-Q2339 PolarHBondContact OE1-OE1 2.83Å; E2304-Q2339 PolarHBondContact OE2-NE2 2.98Å; E2304-Q2339 PolarHBondContact OE2-OE1 2.79Å; I2305-Q2339 PolarHBondContact N-O 3Å; N2306-Q2339 WeakPolarHBondContact OD1-CB 3.49Å; N2306-Q2339 PolarHBondContact OD1-O 2.96Å; Q2337-Q2339 VanDerWaalsContact NE2-OE1 3.1Å; Q2337-Q2339 PolarHBondContact O-N 2.74Å; Q2339-K2341 VanDerWaalsContact C-N 3.33Å; Q2339-K2341 PolarHBondContact O-N 3.32Å; Q2339-K2341 VanDerWaalsContact O-N 3.08Å; Q2339-K2365 VanDerWaalsContact CD-NZ 3.32Å; Q2339-K2365 HydrophobicContact CG-CD 3.86Å; Q2339-K2365 VanDerWaalsContact OE1-CD 3.27Å
2340	S	29.7	Very low	30.6	Very low	43.2 Å²	43.2	80.6 Å²	80.6	30%	0.302	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	110.9	170.3	55.8	0	0	0	0	110	L2342	S2340-L2342 PolarHBondContact O-N 2.9Å
2341	K	27.4	Very low	30.8	Very low	116 Å²	116	80.4 Å²	80.4	50%	0.504	40%	0.396	S	S	.	.			trans	-107.1	98.9	175.7	-163.6	-177.8	-176.5	-176.1	0	109.2	N2306 Q2339 I2343 E2366	N2306-K2341 PolarHBondContact OD1-O 3.22Å; Q2339-K2341 VanDerWaalsContact C-N 3.33Å; Q2339-K2341 PolarHBondContact O-N 3.32Å; Q2339-K2341 VanDerWaalsContact O-N 3.08Å; K2341-I2343 HydrophobicContact CG-CG1 4.31Å; K2341-I2343 PolarHBondContact O-N 3.44Å; K2341-E2366 WeakPolarHBondContact CA-OE1 3.3Å; K2341-E2366 WeakPolarHBondContact CG-OE1 3.1Å; K2341-E2366 PolarHBondContact N-OE1 2.95Å; K2341-E2366 VanDerWaalsContact N-OE1 3.11Å
2342	L	30	Very low	30.9	Very low	24.4 Å²	24.4	78.3 Å²	78.3	13%	0.128	38%	0.382	C	S	.	.			trans	-102.9	105.9	-176.7	-130.3	147.6	0	0	0	110	I2307 L2309 L2324 S2340 I2344 L2349 L2351 E2366 R2368	I2307-L2342 HydrophobicContact CB-CD1 4.45Å; I2307-L2342 HydrophobicContact CB-CD2 4.26Å; I2307-L2342 HydrophobicContact CD1-CD1 4.31Å; I2307-L2342 HydrophobicContact CD1-CD2 3.99Å; I2307-L2342 HydrophobicContact CG1-CD2 4.34Å; L2309-L2342 HydrophobicContact CB-CD2 4.41Å; L2309-L2342 HydrophobicContact CD1-CD1 4.48Å; L2309-L2342 HydrophobicContact CD1-CD2 4.38Å; L2324-L2342 HydrophobicContact CD1-CD1 3.44Å; L2324-L2342 VanDerWaalsContact CD1-CD1 3.44Å; L2324-L2342 HydrophobicContact CD1-CD2 4.15Å; L2324-L2342 HydrophobicContact CD1-CG 4.29Å; L2324-L2342 HydrophobicContact CD2-CD1 4.41Å; S2340-L2342 PolarHBondContact O-N 2.9Å; L2342-I2344 VanDerWaalsContact C-N 3.28Å; L2342-I2344 HydrophobicContact CB-CD1 4.34Å; L2342-I2344 HydrophobicContact CD1-CD1 4.41Å; L2342-I2344 HydrophobicContact CD2-CB 4.1Å; L2342-I2344 HydrophobicContact CD2-CD1 3.55Å; L2342-I2344 HydrophobicContact CD2-CG1 3.76Å; L2342-I2344 HydrophobicContact CG-CD1 3.67Å; L2342-I2344 HydrophobicContact CG-CG1 3.84Å; L2342-I2344 PolarHBondContact O-N 3.17Å; L2342-L2349 HydrophobicContact CB-CD1 4.33Å; L2342-L2349 HydrophobicContact CD1-CD1 3.64Å; L2342-L2349 VanDerWaalsContact CD1-CD1 3.48Å; L2342-L2349 HydrophobicContact CD1-CD2 4.35Å; L2342-L2349 HydrophobicContact CD2-CD1 4.02Å; L2342-L2349 HydrophobicContact CD2-CG 4.42Å; L2342-L2349 HydrophobicContact CG-CD1 4.3Å; L2342-L2351 HydrophobicContact CD1-CD2 4.46Å; L2342-E2366 PolarHBondContact N-OE1 3.39Å; L2342-E2366 PolarHBondContact N-OE2 2.83Å; L2342-R2368 VanDerWaalsContact CB-CZ 3.49Å; L2342-R2368 VanDerWaalsContact CB-NH2 3.25Å; L2342-R2368 PolarHBondContact O-NH1 3.17Å; L2342-R2368 VanDerWaalsContact O-NH1 3.15Å; L2342-R2368 PolarHBondContact O-NH2 3.18Å
2343	I	27.4	Very low	31.3	Very low	95.6 Å²	95.6	75.2 Å²	75.2	49%	0.49	36%	0.364	S	S	.	.			trans	-90.4	94.1	-179.9	-57.7	174.8	0	0	0	108.7	I2307 Y2308 K2341	I2307-I2343 VanDerWaalsContact O-O 3.07Å; Y2308-I2343 HydrophobicContact CE1-CB 4.44Å; Y2308-I2343 HydrophobicContact CE1-CD1 4.2Å; Y2308-I2343 HydrophobicContact CE1-CG2 4.4Å; K2341-I2343 HydrophobicContact CG-CG1 4.31Å; K2341-I2343 PolarHBondContact O-N 3.44Å
2344	I	28.4	Very low	31.4	Very low	81.6 Å²	81.6	71.8 Å²	71.8	42%	0.418	35%	0.348	S	S	.	.	S	Bend	trans	91.5	131.6	171.2	-56.9	166.2	0	0	0	113.7	L2309 T2322 L2342 N2347 L2349 R2368	L2309-I2344 HydrophobicContact CB-CD1 4.13Å; L2309-I2344 HydrophobicContact CB-CG1 4.31Å; L2309-I2344 HydrophobicContact CD1-CD1 4.12Å; L2309-I2344 HydrophobicContact CG-CD1 4.2Å; T2322-I2344 HydrophobicContact CG2-CD1 4.3Å; L2342-I2344 VanDerWaalsContact C-N 3.28Å; L2342-I2344 HydrophobicContact CB-CD1 4.34Å; L2342-I2344 HydrophobicContact CD1-CD1 4.41Å; L2342-I2344 HydrophobicContact CD2-CB 4.1Å; L2342-I2344 HydrophobicContact CD2-CD1 3.55Å; L2342-I2344 HydrophobicContact CD2-CG1 3.76Å; L2342-I2344 HydrophobicContact CG-CD1 3.67Å; L2342-I2344 HydrophobicContact CG-CG1 3.84Å; L2342-I2344 PolarHBondContact O-N 3.17Å; I2344-N2347 HydrophobicContact CG2-CB 3.97Å; I2344-L2349 HydrophobicContact CD1-CD1 3.14Å; I2344-L2349 HydrophobicContact CD1-CD2 4.45Å; I2344-L2349 HydrophobicContact CD1-CG 3.7Å; I2344-R2368 PolarHBondContact O-NH1 3.14Å; I2344-R2368 PolarHBondContact O-NH2 2.98Å
2345	N	28.6	Very low	31.6	Very low	116 Å²	116	72.5 Å²	72.5	62%	0.62	35%	0.351	S	S	*	.	S	Bend	trans	-128.3	151.2	150.3	-100.4	-26.8	0	0	0	112.5	P2317 N2347	P2317-N2345 HydrophobicContact CB-CB 4.01Å; P2317-N2345 WeakPolarHBondContact CB-ND2 3.41Å; N2345-N2347 VanDerWaalsContact C-N 3.29Å; N2345-N2347 PolarHBondContact O-N 2.97Å; N2345-N2347 VanDerWaalsContact O-N 3.1Å; N2345-N2347 PolarHBondContact O-OD1 3.4Å
2346	K	30.4	Very low	31.7	Very low	154.8 Å²	154.8	68.8 Å²	68.8	67%	0.673	34%	0.344	S	S	*	.			trans	9.5	16.9	179.8	-80.7	-162.1	178.5	-175.9	0	119.2	P2317 L2348 D2430 D2477	P2317-K2346 HydrophobicContact CB-CB 4.2Å; K2346-L2348 PolarHBondContact O-N 3.49Å; K2346-D2430 IonicContact NZ-OD1 2.88Å; K2346-D2430 PolarHBondContact NZ-OD1 2.9Å; K2346-D2430 IonicContact NZ-OD2 2.74Å; K2346-D2430 PolarHBondContact NZ-OD2 3.02Å; K2346-D2477 IonicContact NZ-OD1 2.69Å; K2346-D2477 PolarHBondContact NZ-OD1 3.05Å; K2346-D2477 IonicContact NZ-OD2 3.78Å; K2346-D2477 PolarHBondContact NZ-OD2 3.32Å
2347	N	32.9	Very low	31.8	Very low	53.4 Å²	53.4	68.3 Å²	68.3	29%	0.286	34%	0.338	S	S	.	.			trans	-92	136.4	-169.6	-64.5	1.5	0	0	0	113.1	P2317 D2320 T2322 I2344 N2345 L2349	P2317-N2347 PolarHBondContact O-OD1 3Å; D2320-N2347 VanDerWaalsContact CB-ND2 3.28Å; D2320-N2347 WeakPolarHBondContact CB-ND2 3.45Å; D2320-N2347 WeakPolarHBondContact O-CB 3.1Å; D2320-N2347 PolarHBondContact O-ND2 3.17Å; D2320-N2347 VanDerWaalsContact O-ND2 3.14Å; D2320-N2347 PolarHBondContact O-OD1 2.76Å; T2322-N2347 PolarHBondContact OG1-ND2 3.13Å; I2344-N2347 HydrophobicContact CG2-CB 3.97Å; N2345-N2347 VanDerWaalsContact C-N 3.29Å; N2345-N2347 PolarHBondContact O-N 2.97Å; N2345-N2347 VanDerWaalsContact O-N 3.1Å; N2345-N2347 PolarHBondContact O-OD1 3.4Å; N2347-L2349 PolarHBondContact O-N 3.12Å
2348	L	33.7	Very low	31.7	Very low	111.2 Å²	111.2	72.1 Å²	72.1	58%	0.582	35%	0.353	S	S	*	.			trans	-69.8	115.9	173.8	-115.2	155.3	0	0	0	109.5	K2346 F2350 F2371	K2346-L2348 PolarHBondContact O-N 3.49Å; L2348-F2350 HydrophobicContact CB-CE2 4.33Å; L2348-F2350 HydrophobicContact CD2-CD2 4.44Å; L2348-F2350 HydrophobicContact CD2-CE2 4.2Å; L2348-F2350 HydrophobicContact CD2-CZ 4.45Å; L2348-F2350 PolarHBondContact O-N 3.04Å; L2348-F2371 HydrophobicContact CD2-CB 4.19Å
2349	L	35	Very low	31.4	Very low	26.4 Å²	26.4	76.4 Å²	76.4	14%	0.138	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	105.1	-176.9	-131.9	151.4	0	0	0	109.6	L2324 L2342 I2344 N2347 L2351 Y2370 F2371	L2324-L2349 HydrophobicContact CB-CD2 4.43Å; L2324-L2349 HydrophobicContact CD1-CD2 3.85Å; L2324-L2349 HydrophobicContact CD1-CG 4.22Å; L2342-L2349 HydrophobicContact CB-CD1 4.33Å; L2342-L2349 HydrophobicContact CD1-CD1 3.64Å; L2342-L2349 VanDerWaalsContact CD1-CD1 3.48Å; L2342-L2349 HydrophobicContact CD1-CD2 4.35Å; L2342-L2349 HydrophobicContact CD2-CD1 4.02Å; L2342-L2349 HydrophobicContact CD2-CG 4.42Å; L2342-L2349 HydrophobicContact CG-CD1 4.3Å; I2344-L2349 HydrophobicContact CD1-CD1 3.14Å; I2344-L2349 HydrophobicContact CD1-CD2 4.45Å; I2344-L2349 HydrophobicContact CD1-CG 3.7Å; N2347-L2349 PolarHBondContact O-N 3.12Å; L2349-L2351 HydrophobicContact CD2-CD1 4.13Å; L2349-L2351 HydrophobicContact CD2-CD2 3.83Å; L2349-L2351 HydrophobicContact CD2-CG 3.79Å; L2349-L2351 PolarHBondContact O-N 2.97Å; L2349-Y2370 HydrophobicContact CB-CD1 4.35Å; L2349-Y2370 HydrophobicContact CD1-CD1 4.48Å; L2349-Y2370 HydrophobicContact CD1-CE1 4.3Å; L2349-Y2370 HydrophobicContact CD2-CD1 4.45Å; L2349-F2371 PolarHBondContact O-N 2.96Å
2350	F	36.3	Very low	31.4	Very low	71.2 Å²	71.2	78 Å²	78	31%	0.312	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	116	168.8	-82.1	-90.5	0	0	0	109.3	I2321 I2323 L2324 L2348 F2371 I2459	I2321-F2350 HydrophobicContact CG2-CE2 4.48Å; I2323-F2350 HydrophobicContact CB-CB 4.37Å; I2323-F2350 HydrophobicContact CD1-CB 4.37Å; I2323-F2350 HydrophobicContact CD1-CD2 4.28Å; I2323-F2350 HydrophobicContact CD1-CG 4.37Å; I2323-F2350 HydrophobicContact CG1-CB 4.15Å; I2323-F2350 HydrophobicContact CG1-CD2 4.1Å; I2323-F2350 HydrophobicContact CG1-CG 4.34Å; I2323-F2350 HydrophobicContact CG2-CB 4.13Å; L2324-F2350 CarbonylContact C-O 3.46Å; L2324-F2350 WeakPolarHBondContact CA-O 3.46Å; L2324-F2350 PolarHBondContact N-O 2.81Å; L2324-F2350 VanDerWaalsContact O-O 3.08Å; L2348-F2350 HydrophobicContact CB-CE2 4.33Å; L2348-F2350 HydrophobicContact CD2-CD2 4.44Å; L2348-F2350 HydrophobicContact CD2-CE2 4.2Å; L2348-F2350 HydrophobicContact CD2-CZ 4.45Å; L2348-F2350 PolarHBondContact O-N 3.04Å; F2350-F2371 CarbonylContact C-O 3.53Å; F2350-F2371 WeakPolarHBondContact CA-O 3.43Å; F2350-F2371 HydrophobicContact CD1-CB 4.01Å; F2350-F2371 AromaticContact CD1-CD1 3.55Å; F2350-F2371 HydrophobicContact CD1-CD1 3.65Å; F2350-F2371 VanDerWaalsContact CD1-CD1 3.46Å; F2350-F2371 AromaticContact CD1-CE1 3.89Å; F2350-F2371 HydrophobicContact CD1-CE1 4.14Å; F2350-F2371 AromaticContact CD1-CG 3.7Å; F2350-F2371 HydrophobicContact CD1-CG 4.02Å; F2350-F2371 HydrophobicContact CE1-CB 4.1Å; F2350-F2371 AromaticContact CE1-CD1 3.56Å; F2350-F2371 HydrophobicContact CE1-CD1 3.56Å; F2350-F2371 VanDerWaalsContact CE1-CD1 3.48Å; F2350-F2371 AromaticContact CE1-CD2 3.95Å; F2350-F2371 HydrophobicContact CE1-CD2 3.95Å; F2350-F2371 AromaticContact CE1-CE1 3.69Å; F2350-F2371 HydrophobicContact CE1-CE1 3.8Å; F2350-F2371 HydrophobicContact CE1-CE2 4.31Å; F2350-F2371 AromaticContact CE1-CG 3.81Å; F2350-F2371 HydrophobicContact CE1-CG 3.97Å; F2350-F2371 HydrophobicContact CE1-CZ 4.19Å; F2350-F2371 HydrophobicContact CG-CB 4.3Å; F2350-F2371 HydrophobicContact CG-CD1 4.42Å; F2350-F2371 HydrophobicContact CZ-CB 4.45Å; F2350-F2371 AromaticContact CZ-CD1 4Å; F2350-F2371 HydrophobicContact CZ-CD1 4Å; F2350-F2371 HydrophobicContact CZ-CE1 4.19Å; F2350-F2371 HydrophobicContact CZ-CG 4.28Å; F2350-I2459 HydrophobicContact CZ-CD1 3.93Å
2351	L	39.3	Very low	31.3	Very low	16.8 Å²	16.8	83.3 Å²	83.3	9%	0.088	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	108.7	173.4	-70.6	167.1	0	0	0	108.9	L2324 L2342 L2349 Y2353 F2364 Y2370 F2371 I2372 E2373	L2324-L2351 HydrophobicContact CB-CD2 4.31Å; L2342-L2351 HydrophobicContact CD1-CD2 4.46Å; L2349-L2351 HydrophobicContact CD2-CD1 4.13Å; L2349-L2351 HydrophobicContact CD2-CD2 3.83Å; L2349-L2351 HydrophobicContact CD2-CG 3.79Å; L2349-L2351 PolarHBondContact O-N 2.97Å; L2351-Y2353 HydrophobicContact CB-CD2 4.12Å; L2351-Y2353 HydrophobicContact CB-CE2 3.89Å; L2351-Y2353 HydrophobicContact CD1-CE2 4.2Å; L2351-Y2353 HydrophobicContact CD2-CE2 4.46Å; L2351-Y2353 HydrophobicContact CG-CE2 4.37Å; L2351-F2364 HydrophobicContact CD1-CE1 4.05Å; L2351-F2364 HydrophobicContact CD1-CZ 4.2Å; L2351-Y2370 HydrophobicContact CD1-CD1 4.02Å; L2351-Y2370 HydrophobicContact CD1-CE1 4.26Å; L2351-F2371 PolarHBondContact N-O 3.05Å; L2351-I2372 WeakPolarHBondContact O-CA 3.26Å; L2351-E2373 PolarHBondContact O-N 3.1Å; L2351-E2373 VanDerWaalsContact O-N 3.1Å
2352	K	36.7	Very low	31.6	Very low	58 Å²	58	81.1 Å²	81.1	25%	0.252	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	109.9	170	-174.1	-177.4	-179	150.4	0	109.5	N2325 Y2326 E2354 E2373 N2375	N2325-K2352 VanDerWaalsContact OD1-CB 3.3Å; N2325-K2352 WeakPolarHBondContact OD1-CB 3.27Å; Y2326-K2352 CarbonylContact C-O 3.5Å; Y2326-K2352 PolarHBondContact N-O 2.8Å; Y2326-K2352 CarbonylContact O-C 3.55Å; Y2326-K2352 VanDerWaalsContact O-O 3.1Å; K2352-E2354 VanDerWaalsContact CE-OE1 3.27Å; K2352-E2354 WeakPolarHBondContact CE-OE1 3.43Å; K2352-E2354 IonicContact NZ-OE1 3.15Å; K2352-E2354 PolarHBondContact NZ-OE1 3.05Å; K2352-E2373 HydrophobicContact CB-CB 4.49Å; K2352-E2373 WeakPolarHBondContact CD-OE1 3.44Å; K2352-E2373 VanDerWaalsContact CE-OE1 3.25Å; K2352-E2373 WeakPolarHBondContact CE-OE1 3.39Å; K2352-E2373 HydrophobicContact CG-CB 4.34Å; K2352-E2373 HydrophobicContact CG-CG 4.32Å; K2352-E2373 WeakPolarHBondContact CG-OE2 3.4Å; K2352-E2373 VanDerWaalsContact NZ-CD 3.29Å; K2352-E2373 IonicContact NZ-OE1 3.17Å; K2352-E2373 PolarHBondContact NZ-OE1 3.03Å; K2352-E2373 IonicContact NZ-OE2 3.54Å; K2352-E2373 PolarHBondContact NZ-OE2 2.98Å; K2352-E2373 VanDerWaalsContact NZ-OE2 3.14Å; K2352-N2375 WeakPolarHBondContact CE-ND2 3.29Å; K2352-N2375 PolarHBondContact NZ-ND2 2.88Å; K2352-N2375 VanDerWaalsContact NZ-ND2 3.13Å
2353	Y	38.5	Very low	31.6	Very low	21.8 Å²	21.8	87.8 Å²	87.8	9%	0.085	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.5	175.1	-81.9	-79.2	0	0	0	110.3	Y2326 L2328 L2338 L2351 I2355 I2362 I2372 E2373 I2374 N2375	Y2326-Y2353 HydrophobicContact CD1-CD1 4.27Å; Y2326-Y2353 AromaticContact CD1-CE1 3.84Å; Y2326-Y2353 HydrophobicContact CD1-CE1 4.04Å; Y2326-Y2353 HydrophobicContact CE1-CE1 4.29Å; L2328-Y2353 HydrophobicContact CD2-CE1 4.45Å; L2338-Y2353 HydrophobicContact CD1-CE1 4.07Å; L2338-Y2353 WeakPolarHBondContact CD1-OH 3.39Å; L2351-Y2353 HydrophobicContact CB-CD2 4.12Å; L2351-Y2353 HydrophobicContact CB-CE2 3.89Å; L2351-Y2353 HydrophobicContact CD1-CE2 4.2Å; L2351-Y2353 HydrophobicContact CD2-CE2 4.46Å; L2351-Y2353 HydrophobicContact CG-CE2 4.37Å; Y2353-I2355 VanDerWaalsContact C-N 3.34Å; Y2353-I2355 HydrophobicContact CD1-CD1 3.73Å; Y2353-I2355 VanDerWaalsContact CD1-CD1 3.49Å; Y2353-I2355 HydrophobicContact CD1-CG1 4.11Å; Y2353-I2355 HydrophobicContact CE1-CD1 4.25Å; Y2353-I2355 HydrophobicContact CG-CD1 3.91Å; Y2353-I2355 HydrophobicContact CG-CG1 4.34Å; Y2353-I2355 PolarHBondContact O-N 2.98Å; Y2353-I2362 HydrophobicContact CD2-CD1 4.25Å; Y2353-I2362 HydrophobicContact CE2-CD1 4.25Å; Y2353-I2362 HydrophobicContact CG-CD1 4.44Å; Y2353-I2372 HydrophobicContact CD2-CG2 3.97Å; Y2353-I2372 HydrophobicContact CE2-CG2 4.33Å; Y2353-E2373 PolarHBondContact N-O 3.07Å; Y2353-E2373 VanDerWaalsContact N-O 3.07Å; Y2353-I2374 WeakPolarHBondContact O-CA 3.3Å; Y2353-N2375 PolarHBondContact O-N 3.07Å
2354	E	30.3	Very low	32.1	Very low	80.6 Å²	80.6	84.8 Å²	84.8	38%	0.377	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	97.6	161.5	-90.3	173.4	-171	0	0	108.4	L2328 Q2329 K2352 N2375	L2328-E2354 CarbonylContact C-O 3.45Å; L2328-E2354 VanDerWaalsContact O-O 3.1Å; Q2329-E2354 PolarHBondContact NE2-OE2 3.23Å; K2352-E2354 VanDerWaalsContact CE-OE1 3.27Å; K2352-E2354 WeakPolarHBondContact CE-OE1 3.43Å; K2352-E2354 IonicContact NZ-OE1 3.15Å; K2352-E2354 PolarHBondContact NZ-OE1 3.05Å; E2354-N2375 HydrophobicContact CG-CB 3.78Å; E2354-N2375 WeakPolarHBondContact CG-ND2 3.4Å; E2354-N2375 PolarHBondContact OE1-ND2 3.21Å
2355	I	32.7	Very low	32.4	Very low	36 Å²	36	87.4 Å²	87.4	19%	0.185	42%	0.421	C	S	.	.			trans	-116.9	101.9	-176.7	-65.3	168.7	0	0	0	109	Y2353 L2357 I2362 I2374 N2375 L2376	Y2353-I2355 VanDerWaalsContact C-N 3.34Å; Y2353-I2355 HydrophobicContact CD1-CD1 3.73Å; Y2353-I2355 VanDerWaalsContact CD1-CD1 3.49Å; Y2353-I2355 HydrophobicContact CD1-CG1 4.11Å; Y2353-I2355 HydrophobicContact CE1-CD1 4.25Å; Y2353-I2355 HydrophobicContact CG-CD1 3.91Å; Y2353-I2355 HydrophobicContact CG-CG1 4.34Å; Y2353-I2355 PolarHBondContact O-N 2.98Å; I2355-L2357 VanDerWaalsContact C-N 3.29Å; I2355-L2357 HydrophobicContact CG2-CB 3.63Å; I2355-L2357 HydrophobicContact CG2-CD1 3.86Å; I2355-L2357 HydrophobicContact CG2-CG 3.91Å; I2355-L2357 PolarHBondContact O-N 3.22Å; I2355-L2357 VanDerWaalsContact O-N 3.1Å; I2355-I2362 HydrophobicContact CD1-CD1 4.07Å; I2355-I2374 HydrophobicContact CD1-CG2 4.44Å; I2355-N2375 CarbonylContact C-O 3.55Å; I2355-N2375 PolarHBondContact N-O 3.1Å; I2355-N2375 VanDerWaalsContact N-O 3.11Å; I2355-L2376 WeakPolarHBondContact O-CD2 3.27Å
2356	N	31	Very low	32.9	Very low	104.2 Å²	104.2	83.9 Å²	83.9	56%	0.557	40%	0.401	S	S	*	.			trans	-81.7	61.7	166.1	-82	-12.7	0	0	0	110.5
2357	L	29.9	Very low	33.3	Very low	40.4 Å²	40.4	81.9 Å²	81.9	21%	0.212	40%	0.397	C	S	.	.			trans	-124.1	126.8	179.1	-74.3	169.1	0	0	0	112.2	I2330 Q2333 I2355 N2359 Q2360 L2376	I2330-L2357 HydrophobicContact CB-CD1 4.35Å; I2330-L2357 HydrophobicContact CD1-CD1 4.31Å; I2330-L2357 HydrophobicContact CG2-CD1 4.09Å; I2330-L2357 HydrophobicContact CG2-CD2 4.09Å; I2330-L2357 HydrophobicContact CG2-CG 4.28Å; Q2333-L2357 HydrophobicContact CB-CD2 4.15Å; Q2333-L2357 HydrophobicContact CG-CD2 3.79Å; I2355-L2357 VanDerWaalsContact C-N 3.29Å; I2355-L2357 HydrophobicContact CG2-CB 3.63Å; I2355-L2357 HydrophobicContact CG2-CD1 3.86Å; I2355-L2357 HydrophobicContact CG2-CG 3.91Å; I2355-L2357 PolarHBondContact O-N 3.22Å; I2355-L2357 VanDerWaalsContact O-N 3.1Å; L2357-N2359 PolarHBondContact O-N 3.34Å; L2357-Q2360 HydrophobicContact CD2-CB 4.02Å; L2357-Q2360 HydrophobicContact CD2-CG 4.48Å; L2357-L2376 WeakPolarHBondContact O-CD2 3.16Å
2358	K	26.7	Very low	33.6	Very low	165.2 Å²	165.2	83.3 Å²	83.3	72%	0.718	40%	0.398	S	S	*	.	S	Bend	trans	-76.1	117.4	162.8	-76.5	178	168.2	-177.8	0	108.8	L1828	L1828-K2358 HydrophobicContact CD1-CB 3.7Å; L1828-K2358 HydrophobicContact CD1-CD 3.34Å; L1828-K2358 HydrophobicContact CD1-CG 3.63Å
2359	N	25.2	Very low	33.9	Very low	138.4 Å²	138.4	82 Å²	82	74%	0.74	39%	0.392	S	S	*	.	S	Bend	trans	60.6	86.5	166.4	-58	-11.6	0	0	0	117.1	L2357 K2988	L2357-N2359 PolarHBondContact O-N 3.34Å; N2359-K2988 PolarHBondContact OD1-NZ 3.4Å
2360	Q	28.2	Very low	34.3	Very low	83.4 Å²	83.4	81.3 Å²	81.3	39%	0.39	39%	0.388	S	S	.	.			trans	-153.6	148.5	155.5	-81.3	174.1	13.3	0	0	114.4	I2334 Y2335 C2336 L2357	I2334-Q2360 PolarHBondContact O-NE2 3.05Å; I2334-Q2360 PolarHBondContact O-OE1 3.21Å; Y2335-Q2360 VanDerWaalsContact CA-CD 3.47Å; Y2335-Q2360 VanDerWaalsContact CA-NE2 3.28Å; Y2335-Q2360 HydrophobicContact CD1-CG 3.87Å; Y2335-Q2360 VanDerWaalsContact CD1-OE1 3.25Å; Y2335-Q2360 VanDerWaalsContact CE1-CD 3.43Å; Y2335-Q2360 HydrophobicContact CE1-CG 4.31Å; Y2335-Q2360 VanDerWaalsContact CZ-CD 3.48Å; Y2335-Q2360 PolarHBondContact OH-NE2 3.02Å; Y2335-Q2360 VanDerWaalsContact OH-NE2 3.15Å; C2336-Q2360 PolarHBondContact O-OE1 3.13Å; L2357-Q2360 HydrophobicContact CD2-CB 4.02Å; L2357-Q2360 HydrophobicContact CD2-CG 4.48Å
2361	L	28.5	Very low	34.5	Very low	154.6 Å²	154.6	79.8 Å²	79.8	81%	0.809	38%	0.381	S	S	*	.			trans	-85.1	121.2	-175.6	-95	145.1	0	0	0	112.5	K2363	L2361-K2363 PolarHBondContact O-N 3.12Å
2362	I	33.5	Very low	34.8	Very low	69.8 Å²	69.8	79.2 Å²	79.2	36%	0.358	38%	0.378	S	S	.	.			trans	-82.9	122.5	170.5	-53.5	174.9	0	0	0	109.3	Y2353 I2355 F2364 I2374	Y2353-I2362 HydrophobicContact CD2-CD1 4.25Å; Y2353-I2362 HydrophobicContact CE2-CD1 4.25Å; Y2353-I2362 HydrophobicContact CG-CD1 4.44Å; I2355-I2362 HydrophobicContact CD1-CD1 4.07Å; I2362-F2364 HydrophobicContact CB-CE2 4.2Å; I2362-F2364 HydrophobicContact CB-CZ 4.4Å; I2362-F2364 HydrophobicContact CG2-CD2 4.21Å; I2362-F2364 HydrophobicContact CG2-CE1 4.17Å; I2362-F2364 HydrophobicContact CG2-CE2 3.49Å; I2362-F2364 VanDerWaalsContact CG2-CE2 3.44Å; I2362-F2364 HydrophobicContact CG2-CZ 3.47Å; I2362-F2364 VanDerWaalsContact CG2-CZ 3.45Å; I2362-I2374 HydrophobicContact CD1-CD1 4.42Å
2363	K	31.2	Very low	35	Very low	164.2 Å²	164.2	78.2 Å²	78.2	71%	0.714	37%	0.374	S	S	*	.			trans	-107.7	118.7	176.3	-75.8	-176.5	178.5	176.2	0	111.5	L2361	L2361-K2363 PolarHBondContact O-N 3.12Å
2364	F	36.1	Very low	35.1	Very low	33 Å²	33	78.8 Å²	78.8	15%	0.145	38%	0.379	C	S	.	.			trans	-95.9	118.6	175.1	-62.9	-83	0	0	0	111.6	L2351 I2362 Y2370 I2372 I2385 K2387	L2351-F2364 HydrophobicContact CD1-CE1 4.05Å; L2351-F2364 HydrophobicContact CD1-CZ 4.2Å; I2362-F2364 HydrophobicContact CB-CE2 4.2Å; I2362-F2364 HydrophobicContact CB-CZ 4.4Å; I2362-F2364 HydrophobicContact CG2-CD2 4.21Å; I2362-F2364 HydrophobicContact CG2-CE1 4.17Å; I2362-F2364 HydrophobicContact CG2-CE2 3.49Å; I2362-F2364 VanDerWaalsContact CG2-CE2 3.44Å; I2362-F2364 HydrophobicContact CG2-CZ 3.47Å; I2362-F2364 VanDerWaalsContact CG2-CZ 3.45Å; F2364-Y2370 HydrophobicContact CB-CD2 4.33Å; F2364-Y2370 HydrophobicContact CB-CE2 3.83Å; F2364-Y2370 AromaticContact CD1-CD1 3.9Å; F2364-Y2370 HydrophobicContact CD1-CD1 4.05Å; F2364-Y2370 AromaticContact CD1-CD2 3.98Å; F2364-Y2370 HydrophobicContact CD1-CD2 3.99Å; F2364-Y2370 AromaticContact CD1-CE1 3.63Å; F2364-Y2370 HydrophobicContact CD1-CE1 3.74Å; F2364-Y2370 VanDerWaalsContact CD1-CE1 3.48Å; F2364-Y2370 AromaticContact CD1-CE2 3.69Å; F2364-Y2370 HydrophobicContact CD1-CE2 3.69Å; F2364-Y2370 HydrophobicContact CD1-CG 4.17Å; F2364-Y2370 AromaticContact CD1-CZ 3.55Å; F2364-Y2370 VanDerWaalsContact CD1-CZ 3.44Å; F2364-Y2370 HydrophobicContact CD2-CD2 4.4Å; F2364-Y2370 HydrophobicContact CD2-CE2 4.4Å; F2364-Y2370 AromaticContact CE1-CD1 3.88Å; F2364-Y2370 HydrophobicContact CE1-CD1 4Å; F2364-Y2370 HydrophobicContact CE1-CD2 4.36Å; F2364-Y2370 AromaticContact CE1-CE1 3.94Å; F2364-Y2370 HydrophobicContact CE1-CE1 4.08Å; F2364-Y2370 HydrophobicContact CE1-CE2 4.38Å; F2364-Y2370 HydrophobicContact CE1-CG 4.14Å; F2364-Y2370 AromaticContact CG-CD2 3.92Å; F2364-Y2370 HydrophobicContact CG-CD2 4.13Å; F2364-Y2370 HydrophobicContact CG-CE1 4.38Å; F2364-Y2370 AromaticContact CG-CE2 3.75Å; F2364-Y2370 HydrophobicContact CG-CE2 3.8Å; F2364-Y2370 HydrophobicContact CG-CG 4.38Å; F2364-Y2370 AromaticContact CG-CZ 3.81Å; F2364-Y2370 HydrophobicContact CZ-CG 4.42Å; F2364-I2372 HydrophobicContact CE1-CD1 4.4Å; F2364-I2372 HydrophobicContact CE2-CD1 3.7Å; F2364-I2372 VanDerWaalsContact CE2-CD1 3.49Å; F2364-I2372 HydrophobicContact CZ-CD1 3.49Å; F2364-I2372 VanDerWaalsContact CZ-CD1 3.42Å; F2364-I2372 HydrophobicContact CZ-CG1 4.26Å; F2364-I2385 HydrophobicContact CD2-CD1 3.98Å; F2364-I2385 HydrophobicContact CE2-CD1 3.49Å; F2364-I2385 VanDerWaalsContact CE2-CD1 3.45Å; F2364-I2385 HydrophobicContact CZ-CD1 4.23Å; F2364-K2387 HydrophobicContact CB-CD 4.44Å; F2364-K2387 PolarHBondContact O-NZ 3.03Å
2365	K	35.5	Very low	35.7	Very low	136.4 Å²	136.4	76.2 Å²	76.2	59%	0.593	37%	0.367	S	S	*	.			trans	-77.4	-31.5	177.8	-83.3	-178.4	178.1	174.5	0	113.5	E2304 Q2337 Q2339 K2387	E2304-K2365 IonicContact OE1-NZ 2.71Å; E2304-K2365 PolarHBondContact OE1-NZ 3.08Å; Q2337-K2365 VanDerWaalsContact OE1-CE 3.26Å; Q2339-K2365 VanDerWaalsContact CD-NZ 3.32Å; Q2339-K2365 HydrophobicContact CG-CD 3.86Å; Q2339-K2365 VanDerWaalsContact OE1-CD 3.27Å; K2365-K2387 VanDerWaalsContact C-NZ 3.31Å; K2365-K2387 PolarHBondContact O-NZ 2.94Å
2366	E	39	Very low	35.7	Very low	43 Å²	43	77.3 Å²	77.3	20%	0.201	37%	0.373	C	S	.	.	S	Bend	trans	-91.1	153	-173.1	-61.1	-169.2	168.2	0	0	114.6	K2341 L2342 R2368 Y2370 K2387	K2341-E2366 WeakPolarHBondContact CA-OE1 3.3Å; K2341-E2366 WeakPolarHBondContact CG-OE1 3.1Å; K2341-E2366 PolarHBondContact N-OE1 2.95Å; K2341-E2366 VanDerWaalsContact N-OE1 3.11Å; L2342-E2366 PolarHBondContact N-OE1 3.39Å; L2342-E2366 PolarHBondContact N-OE2 2.83Å; E2366-R2368 VanDerWaalsContact C-N 3.29Å; E2366-R2368 HydrophobicContact CB-CG 4.32Å; E2366-R2368 PolarHBondContact O-N 3.12Å; E2366-R2368 VanDerWaalsContact O-N 3.13Å; E2366-R2368 IonicContact OE2-CZ 3.09Å; E2366-R2368 IonicContact OE2-NE 3.67Å; E2366-R2368 PolarHBondContact OE2-NE 3.15Å; E2366-R2368 IonicContact OE2-NH1 2.76Å; E2366-R2368 IonicContact OE2-NH2 3.35Å; E2366-R2368 PolarHBondContact OE2-NH2 2.89Å; E2366-Y2370 WeakPolarHBondContact CB-OH 3.16Å; E2366-Y2370 PolarHBondContact O-OH 3.09Å; E2366-Y2370 VanDerWaalsContact O-OH 3.08Å; E2366-K2387 VanDerWaalsContact O-CD 3.3Å; E2366-K2387 WeakPolarHBondContact O-CD 3.27Å; E2366-K2387 WeakPolarHBondContact O-CE 3.46Å; E2366-K2387 PolarHBondContact O-NZ 3.24Å; E2366-K2387 VanDerWaalsContact O-NZ 3.12Å
2367	N	38.4	Very low	35.8	Very low	111 Å²	111	77.8 Å²	77.8	59%	0.594	38%	0.376	S	S	*	.	S	Bend	trans	-84	73.1	175.6	-73.8	-8.4	0	0	0	110.5	K2387 N2389	N2367-K2387 VanDerWaalsContact OD1-CE 3.32Å; N2367-K2387 WeakPolarHBondContact OD1-CE 3.16Å; N2367-K2387 PolarHBondContact OD1-NZ 2.98Å; N2367-N2389 PolarHBondContact ND2-OD1 3.04Å; N2367-N2389 PolarHBondContact OD1-N 2.98Å
2368	R	39.7	Very low	36.2	Very low	82.8 Å²	82.8	84.3 Å²	84.3	31%	0.312	41%	0.405	S	S	.	.			trans	-136	155.9	176.2	-65.4	-174.7	179.5	-165.2	0.1	110.3	L2342 I2344 E2366 Y2370	L2342-R2368 VanDerWaalsContact CB-CZ 3.49Å; L2342-R2368 VanDerWaalsContact CB-NH2 3.25Å; L2342-R2368 PolarHBondContact O-NH1 3.17Å; L2342-R2368 VanDerWaalsContact O-NH1 3.15Å; L2342-R2368 PolarHBondContact O-NH2 3.18Å; I2344-R2368 PolarHBondContact O-NH1 3.14Å; I2344-R2368 PolarHBondContact O-NH2 2.98Å; E2366-R2368 VanDerWaalsContact C-N 3.29Å; E2366-R2368 HydrophobicContact CB-CG 4.32Å; E2366-R2368 PolarHBondContact O-N 3.12Å; E2366-R2368 VanDerWaalsContact O-N 3.13Å; E2366-R2368 IonicContact OE2-CZ 3.09Å; E2366-R2368 IonicContact OE2-NE 3.67Å; E2366-R2368 PolarHBondContact OE2-NE 3.15Å; E2366-R2368 IonicContact OE2-NH1 2.76Å; E2366-R2368 IonicContact OE2-NH2 3.35Å; E2366-R2368 PolarHBondContact OE2-NH2 2.89Å; R2368-Y2370 HydrophobicContact CB-CE1 4.23Å; R2368-Y2370 HydrophobicContact CB-CE2 4.25Å; R2368-Y2370 WeakPolarHBondContact O-CD2 3.42Å; R2368-Y2370 VanDerWaalsContact O-CE2 3.27Å; R2368-Y2370 WeakPolarHBondContact O-CE2 3.39Å
2369	N	39.5	Very low	36.7	Very low	85.6 Å²	85.6	80.8 Å²	80.8	46%	0.458	39%	0.391	S	S	.	.			trans	-81.5	133.5	170.9	-63.2	-19.6	0	0	0	108.5	I2385	N2369-I2385 CarbonylContact C-O 3.58Å; N2369-I2385 VanDerWaalsContact CA-O 3.24Å; N2369-I2385 WeakPolarHBondContact CA-O 3.32Å
2370	Y	44.1	Very low	37.4	Very low	11.8 Å²	11.8	75.8 Å²	75.8	5%	0.046	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.3	179.5	-57.1	-88.1	0	0	0	110	L2349 L2351 F2364 E2366 R2368 I2384 I2385	L2349-Y2370 HydrophobicContact CB-CD1 4.35Å; L2349-Y2370 HydrophobicContact CD1-CD1 4.48Å; L2349-Y2370 HydrophobicContact CD1-CE1 4.3Å; L2349-Y2370 HydrophobicContact CD2-CD1 4.45Å; L2351-Y2370 HydrophobicContact CD1-CD1 4.02Å; L2351-Y2370 HydrophobicContact CD1-CE1 4.26Å; F2364-Y2370 HydrophobicContact CB-CD2 4.33Å; F2364-Y2370 HydrophobicContact CB-CE2 3.83Å; F2364-Y2370 AromaticContact CD1-CD1 3.9Å; F2364-Y2370 HydrophobicContact CD1-CD1 4.05Å; F2364-Y2370 AromaticContact CD1-CD2 3.98Å; F2364-Y2370 HydrophobicContact CD1-CD2 3.99Å; F2364-Y2370 AromaticContact CD1-CE1 3.63Å; F2364-Y2370 HydrophobicContact CD1-CE1 3.74Å; F2364-Y2370 VanDerWaalsContact CD1-CE1 3.48Å; F2364-Y2370 AromaticContact CD1-CE2 3.69Å; F2364-Y2370 HydrophobicContact CD1-CE2 3.69Å; F2364-Y2370 HydrophobicContact CD1-CG 4.17Å; F2364-Y2370 AromaticContact CD1-CZ 3.55Å; F2364-Y2370 VanDerWaalsContact CD1-CZ 3.44Å; F2364-Y2370 HydrophobicContact CD2-CD2 4.4Å; F2364-Y2370 HydrophobicContact CD2-CE2 4.4Å; F2364-Y2370 AromaticContact CE1-CD1 3.88Å; F2364-Y2370 HydrophobicContact CE1-CD1 4Å; F2364-Y2370 HydrophobicContact CE1-CD2 4.36Å; F2364-Y2370 AromaticContact CE1-CE1 3.94Å; F2364-Y2370 HydrophobicContact CE1-CE1 4.08Å; F2364-Y2370 HydrophobicContact CE1-CE2 4.38Å; F2364-Y2370 HydrophobicContact CE1-CG 4.14Å; F2364-Y2370 AromaticContact CG-CD2 3.92Å; F2364-Y2370 HydrophobicContact CG-CD2 4.13Å; F2364-Y2370 HydrophobicContact CG-CE1 4.38Å; F2364-Y2370 AromaticContact CG-CE2 3.75Å; F2364-Y2370 HydrophobicContact CG-CE2 3.8Å; F2364-Y2370 HydrophobicContact CG-CG 4.38Å; F2364-Y2370 AromaticContact CG-CZ 3.81Å; F2364-Y2370 HydrophobicContact CZ-CG 4.42Å; E2366-Y2370 WeakPolarHBondContact CB-OH 3.16Å; E2366-Y2370 PolarHBondContact O-OH 3.09Å; E2366-Y2370 VanDerWaalsContact O-OH 3.08Å; R2368-Y2370 HydrophobicContact CB-CE1 4.23Å; R2368-Y2370 HydrophobicContact CB-CE2 4.25Å; R2368-Y2370 WeakPolarHBondContact O-CD2 3.42Å; R2368-Y2370 VanDerWaalsContact O-CE2 3.27Å; R2368-Y2370 WeakPolarHBondContact O-CE2 3.39Å; Y2370-I2384 WeakPolarHBondContact O-CA 3.47Å; Y2370-I2385 HydrophobicContact CD2-CB 4.45Å; Y2370-I2385 PolarHBondContact N-O 2.87Å; Y2370-I2385 VanDerWaalsContact N-O 3.08Å; Y2370-I2385 PolarHBondContact O-N 3.28Å; Y2370-I2385 VanDerWaalsContact O-N 3.16Å
2371	F	40.9	Very low	38	Very low	39.2 Å²	39.2	73.9 Å²	73.9	17%	0.172	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.5	164.1	-172.6	-84.3	0	0	0	108	L2348 L2349 F2350 L2351 Y2382 I2384 Y2397	L2348-F2371 HydrophobicContact CD2-CB 4.19Å; L2349-F2371 PolarHBondContact O-N 2.96Å; F2350-F2371 CarbonylContact C-O 3.53Å; F2350-F2371 WeakPolarHBondContact CA-O 3.43Å; F2350-F2371 HydrophobicContact CD1-CB 4.01Å; F2350-F2371 AromaticContact CD1-CD1 3.55Å; F2350-F2371 HydrophobicContact CD1-CD1 3.65Å; F2350-F2371 VanDerWaalsContact CD1-CD1 3.46Å; F2350-F2371 AromaticContact CD1-CE1 3.89Å; F2350-F2371 HydrophobicContact CD1-CE1 4.14Å; F2350-F2371 AromaticContact CD1-CG 3.7Å; F2350-F2371 HydrophobicContact CD1-CG 4.02Å; F2350-F2371 HydrophobicContact CE1-CB 4.1Å; F2350-F2371 AromaticContact CE1-CD1 3.56Å; F2350-F2371 HydrophobicContact CE1-CD1 3.56Å; F2350-F2371 VanDerWaalsContact CE1-CD1 3.48Å; F2350-F2371 AromaticContact CE1-CD2 3.95Å; F2350-F2371 HydrophobicContact CE1-CD2 3.95Å; F2350-F2371 AromaticContact CE1-CE1 3.69Å; F2350-F2371 HydrophobicContact CE1-CE1 3.8Å; F2350-F2371 HydrophobicContact CE1-CE2 4.31Å; F2350-F2371 AromaticContact CE1-CG 3.81Å; F2350-F2371 HydrophobicContact CE1-CG 3.97Å; F2350-F2371 HydrophobicContact CE1-CZ 4.19Å; F2350-F2371 HydrophobicContact CG-CB 4.3Å; F2350-F2371 HydrophobicContact CG-CD1 4.42Å; F2350-F2371 HydrophobicContact CZ-CB 4.45Å; F2350-F2371 AromaticContact CZ-CD1 4Å; F2350-F2371 HydrophobicContact CZ-CD1 4Å; F2350-F2371 HydrophobicContact CZ-CE1 4.19Å; F2350-F2371 HydrophobicContact CZ-CG 4.28Å; L2351-F2371 PolarHBondContact N-O 3.05Å; F2371-Y2382 AromaticContact CE1-CD1 3.8Å; F2371-Y2382 HydrophobicContact CE1-CD1 3.8Å; F2371-Y2382 VanDerWaalsContact CE1-CD1 3.5Å; F2371-Y2382 HydrophobicContact CE1-CE1 4.27Å; F2371-Y2382 AromaticContact CZ-CD1 3.67Å; F2371-Y2382 HydrophobicContact CZ-CD1 3.74Å; F2371-Y2382 VanDerWaalsContact CZ-CD1 3.41Å; F2371-Y2382 HydrophobicContact CZ-CE1 4.27Å; F2371-Y2382 HydrophobicContact CZ-CG 4.31Å; F2371-I2384 HydrophobicContact CD2-CD1 4.23Å; F2371-I2384 HydrophobicContact CD2-CG1 3.96Å; F2371-I2384 HydrophobicContact CE2-CD1 4.27Å; F2371-I2384 HydrophobicContact CE2-CG1 4.18Å; F2371-Y2397 HydrophobicContact CE2-CE1 4.36Å; F2371-Y2397 WeakPolarHBondContact CE2-OH 3.37Å; F2371-Y2397 WeakPolarHBondContact CZ-OH 3.31Å
2372	I	44.7	Very low	38.7	Very low	2.8 Å²	2.8	68.6 Å²	68.6	1%	0.014	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.5	-171.3	-50.1	175.2	0	0	0	108.7	L2351 Y2353 F2364 I2374 Y2382 S2383 I2385	L2351-I2372 WeakPolarHBondContact O-CA 3.26Å; Y2353-I2372 HydrophobicContact CD2-CG2 3.97Å; Y2353-I2372 HydrophobicContact CE2-CG2 4.33Å; F2364-I2372 HydrophobicContact CE1-CD1 4.4Å; F2364-I2372 HydrophobicContact CE2-CD1 3.7Å; F2364-I2372 VanDerWaalsContact CE2-CD1 3.49Å; F2364-I2372 HydrophobicContact CZ-CD1 3.49Å; F2364-I2372 VanDerWaalsContact CZ-CD1 3.42Å; F2364-I2372 HydrophobicContact CZ-CG1 4.26Å; I2372-I2374 HydrophobicContact CG2-CD1 4.14Å; I2372-I2374 HydrophobicContact CG2-CG1 3.58Å; I2372-Y2382 CarbonylContact O-C 3.57Å; I2372-Y2382 WeakPolarHBondContact O-CA 3.31Å; I2372-S2383 PolarHBondContact N-O 3.1Å; I2372-S2383 PolarHBondContact O-N 3.25Å; I2372-I2385 HydrophobicContact CD1-CD1 3.47Å; I2372-I2385 VanDerWaalsContact CD1-CD1 3.42Å; I2372-I2385 HydrophobicContact CD1-CG1 4.03Å
2373	E	42	Very low	39	Very low	38.2 Å²	38.2	65.7 Å²	65.7	18%	0.179	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.6	164.5	-177.6	-175.5	150.8	0	0	107.5	L2351 K2352 Y2353 N2375 T2380 Y2382	L2351-E2373 PolarHBondContact O-N 3.1Å; L2351-E2373 VanDerWaalsContact O-N 3.1Å; K2352-E2373 HydrophobicContact CB-CB 4.49Å; K2352-E2373 WeakPolarHBondContact CD-OE1 3.44Å; K2352-E2373 VanDerWaalsContact CE-OE1 3.25Å; K2352-E2373 WeakPolarHBondContact CE-OE1 3.39Å; K2352-E2373 HydrophobicContact CG-CB 4.34Å; K2352-E2373 HydrophobicContact CG-CG 4.32Å; K2352-E2373 WeakPolarHBondContact CG-OE2 3.4Å; K2352-E2373 VanDerWaalsContact NZ-CD 3.29Å; K2352-E2373 IonicContact NZ-OE1 3.17Å; K2352-E2373 PolarHBondContact NZ-OE1 3.03Å; K2352-E2373 IonicContact NZ-OE2 3.54Å; K2352-E2373 PolarHBondContact NZ-OE2 2.98Å; K2352-E2373 VanDerWaalsContact NZ-OE2 3.14Å; Y2353-E2373 PolarHBondContact N-O 3.07Å; Y2353-E2373 VanDerWaalsContact N-O 3.07Å; E2373-N2375 PolarHBondContact OE1-ND2 2.85Å; E2373-N2375 PolarHBondContact OE1-OD1 3.14Å; E2373-T2380 HydrophobicContact CG-CG2 4.27Å; E2373-T2380 VanDerWaalsContact OE1-CG2 3.31Å; E2373-T2380 WeakPolarHBondContact OE1-CG2 3.33Å; E2373-Y2382 HydrophobicContact CB-CD1 4.1Å; E2373-Y2382 HydrophobicContact CB-CE1 3.99Å; E2373-Y2382 HydrophobicContact CG-CD1 4.16Å; E2373-Y2382 HydrophobicContact CG-CE1 3.69Å; E2373-Y2382 VanDerWaalsContact OE2-CE1 3.24Å; E2373-Y2382 WeakPolarHBondContact OE2-CE1 3.41Å; E2373-Y2382 PolarHBondContact OE2-OH 3.29Å
2374	I	40.2	Very low	39.6	Very low	34.4 Å²	34.4	59.1 Å²	59.1	18%	0.176	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.4	179.4	-55	178.1	0	0	0	107.9	Y2353 I2355 I2362 I2372 L2376 N2381	Y2353-I2374 WeakPolarHBondContact O-CA 3.3Å; I2355-I2374 HydrophobicContact CD1-CG2 4.44Å; I2362-I2374 HydrophobicContact CD1-CD1 4.42Å; I2372-I2374 HydrophobicContact CG2-CD1 4.14Å; I2372-I2374 HydrophobicContact CG2-CG1 3.58Å; I2374-L2376 HydrophobicContact CG2-CD1 3.92Å; I2374-L2376 HydrophobicContact CG2-CG 3.91Å; I2374-N2381 WeakPolarHBondContact CA-O 3.31Å; I2374-N2381 HydrophobicContact CB-CB 4.39Å; I2374-N2381 WeakPolarHBondContact CB-O 3.27Å; I2374-N2381 PolarHBondContact N-O 3.09Å; I2374-N2381 PolarHBondContact O-N 3.17Å
2375	N	42.6	Very low	39.9	Very low	25.8 Å²	25.8	58.3 Å²	58.3	14%	0.138	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.5	172.7	-71	-6.4	0	0	0	109.4	K2352 Y2353 E2354 I2355 E2373 Q2379 T2380	K2352-N2375 WeakPolarHBondContact CE-ND2 3.29Å; K2352-N2375 PolarHBondContact NZ-ND2 2.88Å; K2352-N2375 VanDerWaalsContact NZ-ND2 3.13Å; Y2353-N2375 PolarHBondContact O-N 3.07Å; E2354-N2375 HydrophobicContact CG-CB 3.78Å; E2354-N2375 WeakPolarHBondContact CG-ND2 3.4Å; E2354-N2375 PolarHBondContact OE1-ND2 3.21Å; I2355-N2375 CarbonylContact C-O 3.55Å; I2355-N2375 PolarHBondContact N-O 3.1Å; I2355-N2375 VanDerWaalsContact N-O 3.11Å; E2373-N2375 PolarHBondContact OE1-ND2 2.85Å; E2373-N2375 PolarHBondContact OE1-OD1 3.14Å; N2375-Q2379 WeakPolarHBondContact CA-O 3.29Å; N2375-T2380 VanDerWaalsContact OD1-CG2 3.28Å; N2375-T2380 WeakPolarHBondContact OD1-CG2 3.36Å
2376	L	33.8	Very low	40.2	Very low	58.8 Å²	58.8	54.1 Å²	54.1	31%	0.308	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.4	175	-80.6	160.7	0	0	0	108.5	I2355 L2357 I2374 E2378 Q2379	I2355-L2376 WeakPolarHBondContact O-CD2 3.27Å; L2357-L2376 WeakPolarHBondContact O-CD2 3.16Å; I2374-L2376 HydrophobicContact CG2-CD1 3.92Å; I2374-L2376 HydrophobicContact CG2-CG 3.91Å; L2376-E2378 PolarHBondContact O-N 3.08Å; L2376-Q2379 PolarHBondContact N-O 3.18Å; L2376-Q2379 WeakPolarHBondContact O-CB 3.33Å; L2376-Q2379 PolarHBondContact O-N 3.1Å
2377	N	31.1	Very low	40.3	Very low	114.2 Å²	114.2	53.7 Å²	53.7	61%	0.611	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.5	60.7	174.4	-64.9	-21.5	0	0	0	113.7	Q2379	N2377-Q2379 VanDerWaalsContact C-N 3.3Å; N2377-Q2379 PolarHBondContact O-N 3.07Å; N2377-Q2379 VanDerWaalsContact O-N 3.09Å
2378	E	39.3	Very low	40	Very low	178.2 Å²	178.2	52.1 Å²	52.1	83%	0.833	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	-7.7	-179.1	-51	178.6	169.9	0	0	116.2	R1985 L2376	R1985-E2378 IonicContact CZ-OE1 3.45Å; R1985-E2378 VanDerWaalsContact NH2-CG 3.32Å; R1985-E2378 IonicContact NH2-OE1 2.68Å; R1985-E2378 PolarHBondContact NH2-OE1 3.22Å; L2376-E2378 PolarHBondContact O-N 3.08Å
2379	Q	36.2	Very low	39.9	Very low	91.4 Å²	91.4	54.5 Å²	54.5	43%	0.427	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.3	172.3	-64.8	-176	-47.5	0	0	111.6	N1887 Y1918 N2375 L2376 N2377 N2381 D2398	N1887-Q2379 VanDerWaalsContact ND2-CG 3.32Å; N1887-Q2379 WeakPolarHBondContact ND2-CG 3.22Å; N1887-Q2379 PolarHBondContact ND2-NE2 3.44Å; Y1918-Q2379 PolarHBondContact OH-NE2 2.91Å; N2375-Q2379 WeakPolarHBondContact CA-O 3.29Å; L2376-Q2379 PolarHBondContact N-O 3.18Å; L2376-Q2379 WeakPolarHBondContact O-CB 3.33Å; L2376-Q2379 PolarHBondContact O-N 3.1Å; N2377-Q2379 VanDerWaalsContact C-N 3.3Å; N2377-Q2379 PolarHBondContact O-N 3.07Å; N2377-Q2379 VanDerWaalsContact O-N 3.09Å; Q2379-N2381 PolarHBondContact O-N 3.26Å; Q2379-D2398 PolarHBondContact NE2-OD2 3.31Å
2380	T	41.4	Very low	39.5	Very low	33.8 Å²	33.8	59 Å²	59	21%	0.207	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	100.4	173.8	33.4	0	0	0	0	109.4	E2373 N2375 Y2382 I2399	E2373-T2380 HydrophobicContact CG-CG2 4.27Å; E2373-T2380 VanDerWaalsContact OE1-CG2 3.31Å; E2373-T2380 WeakPolarHBondContact OE1-CG2 3.33Å; N2375-T2380 VanDerWaalsContact OD1-CG2 3.28Å; N2375-T2380 WeakPolarHBondContact OD1-CG2 3.36Å; T2380-Y2382 HydrophobicContact CG2-CE2 4.48Å; T2380-I2399 HydrophobicContact CG2-CD1 4.36Å; T2380-I2399 WeakPolarHBondContact O-CD1 3.32Å; T2380-I2399 WeakPolarHBondContact OG1-CD1 3.41Å
2381	N	39.6	Very low	39	Very low	43.4 Å²	43.4	63 Å²	63	23%	0.232	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.4	172.2	-81.1	-30.7	0	0	0	109.7	I2374 Q2379 D2398	I2374-N2381 WeakPolarHBondContact CA-O 3.31Å; I2374-N2381 HydrophobicContact CB-CB 4.39Å; I2374-N2381 WeakPolarHBondContact CB-O 3.27Å; I2374-N2381 PolarHBondContact N-O 3.09Å; I2374-N2381 PolarHBondContact O-N 3.17Å; Q2379-N2381 PolarHBondContact O-N 3.26Å; N2381-D2398 WeakPolarHBondContact OD1-CA 3.32Å; N2381-D2398 VanDerWaalsContact OD1-CB 3.24Å; N2381-D2398 WeakPolarHBondContact OD1-CB 3.39Å; N2381-D2398 VanDerWaalsContact OD1-CG 3.25Å; N2381-D2398 PolarHBondContact OD1-OD2 3.05Å
2382	Y	43.3	Very low	38.7	Very low	41.8 Å²	41.8	66.8 Å²	66.8	16%	0.164	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.8	175.6	-63.4	-89.2	0	0	0	109.8	F2371 I2372 E2373 T2380 S2396 Y2397 I2399	F2371-Y2382 AromaticContact CE1-CD1 3.8Å; F2371-Y2382 HydrophobicContact CE1-CD1 3.8Å; F2371-Y2382 VanDerWaalsContact CE1-CD1 3.5Å; F2371-Y2382 HydrophobicContact CE1-CE1 4.27Å; F2371-Y2382 AromaticContact CZ-CD1 3.67Å; F2371-Y2382 HydrophobicContact CZ-CD1 3.74Å; F2371-Y2382 VanDerWaalsContact CZ-CD1 3.41Å; F2371-Y2382 HydrophobicContact CZ-CE1 4.27Å; F2371-Y2382 HydrophobicContact CZ-CG 4.31Å; I2372-Y2382 CarbonylContact O-C 3.57Å; I2372-Y2382 WeakPolarHBondContact O-CA 3.31Å; E2373-Y2382 HydrophobicContact CB-CD1 4.1Å; E2373-Y2382 HydrophobicContact CB-CE1 3.99Å; E2373-Y2382 HydrophobicContact CG-CD1 4.16Å; E2373-Y2382 HydrophobicContact CG-CE1 3.69Å; E2373-Y2382 VanDerWaalsContact OE2-CE1 3.24Å; E2373-Y2382 WeakPolarHBondContact OE2-CE1 3.41Å; E2373-Y2382 PolarHBondContact OE2-OH 3.29Å; T2380-Y2382 HydrophobicContact CG2-CE2 4.48Å; Y2382-S2396 CarbonylContact O-C 3.27Å; Y2382-S2396 WeakPolarHBondContact O-CA 3.18Å; Y2382-Y2397 WeakPolarHBondContact CB-OH 3.43Å; Y2382-Y2397 HydrophobicContact CD1-CE2 4.37Å; Y2382-Y2397 AromaticContact CD1-CZ 3.85Å; Y2382-Y2397 WeakPolarHBondContact CD1-OH 3.34Å; Y2382-Y2397 AromaticContact CD2-CD2 3.73Å; Y2382-Y2397 HydrophobicContact CD2-CD2 4.05Å; Y2382-Y2397 AromaticContact CD2-CE2 3.45Å; Y2382-Y2397 HydrophobicContact CD2-CE2 3.45Å; Y2382-Y2397 VanDerWaalsContact CD2-CE2 3.45Å; Y2382-Y2397 AromaticContact CD2-CZ 3.77Å; Y2382-Y2397 HydrophobicContact CE2-CE2 4.19Å; Y2382-Y2397 HydrophobicContact CG-CD2 4.27Å; Y2382-Y2397 HydrophobicContact CG-CE1 4.19Å; Y2382-Y2397 AromaticContact CG-CE2 3.45Å; Y2382-Y2397 HydrophobicContact CG-CE2 3.6Å; Y2382-Y2397 VanDerWaalsContact CG-CE2 3.4Å; Y2382-Y2397 AromaticContact CG-CZ 3.43Å; Y2382-Y2397 VanDerWaalsContact CG-OH 3.23Å; Y2382-Y2397 PolarHBondContact N-O 3.12Å; Y2382-Y2397 VanDerWaalsContact N-O 3.15Å; Y2382-Y2397 WeakPolarHBondContact O-CD1 3.27Å; Y2382-Y2397 PolarHBondContact O-N 3.18Å; Y2382-I2399 HydrophobicContact CD2-CD1 3.89Å; Y2382-I2399 HydrophobicContact CD2-CG1 3.79Å; Y2382-I2399 HydrophobicContact CE1-CD1 4.44Å; Y2382-I2399 HydrophobicContact CE2-CD1 3.44Å; Y2382-I2399 VanDerWaalsContact CE2-CD1 3.46Å; Y2382-I2399 HydrophobicContact CE2-CG1 3.58Å; Y2382-I2399 VanDerWaalsContact CE2-CG1 3.44Å; Y2382-I2399 VanDerWaalsContact CZ-CD1 3.44Å
2383	S	41.3	Very low	38.2	Very low	10.2 Å²	10.2	69.1 Å²	69.1	7%	0.071	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.6	178.2	7.9	0	0	0	0	111.5	I2372 I2395 S2396	I2372-S2383 PolarHBondContact N-O 3.1Å; I2372-S2383 PolarHBondContact O-N 3.25Å; S2383-I2395 CarbonylContact C-O 3.54Å; S2383-I2395 VanDerWaalsContact CA-O 3.27Å; S2383-I2395 WeakPolarHBondContact CA-O 3.23Å; S2383-S2396 PolarHBondContact OG-OG 3.12Å
2384	I	43.1	Very low	38	Very low	25.8 Å²	25.8	70.3 Å²	70.3	13%	0.132	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.9	169.1	-49.7	-179.9	0	0	0	107.5	Y2370 F2371 F2386 I2394 I2395 Y2397 F2421 I2422 L2425	Y2370-I2384 WeakPolarHBondContact O-CA 3.47Å; F2371-I2384 HydrophobicContact CD2-CD1 4.23Å; F2371-I2384 HydrophobicContact CD2-CG1 3.96Å; F2371-I2384 HydrophobicContact CE2-CD1 4.27Å; F2371-I2384 HydrophobicContact CE2-CG1 4.18Å; I2384-F2386 HydrophobicContact CB-CD2 4.48Å; I2384-F2386 HydrophobicContact CB-CE2 4.12Å; I2384-F2386 HydrophobicContact CG2-CD2 3.9Å; I2384-F2386 HydrophobicContact CG2-CE1 4.46Å; I2384-F2386 HydrophobicContact CG2-CE2 3.35Å; I2384-F2386 VanDerWaalsContact CG2-CE2 3.44Å; I2384-F2386 HydrophobicContact CG2-CZ 3.71Å; I2384-I2394 WeakPolarHBondContact O-CA 3.39Å; I2384-I2395 HydrophobicContact CB-CB 4.33Å; I2384-I2395 PolarHBondContact N-O 3.23Å; I2384-I2395 PolarHBondContact O-N 3.14Å; I2384-Y2397 HydrophobicContact CD1-CE1 4.19Å; I2384-Y2397 HydrophobicContact CG1-CE1 4.13Å; I2384-Y2397 VanDerWaalsContact CG1-OH 3.24Å; I2384-Y2397 WeakPolarHBondContact CG1-OH 3.03Å; I2384-F2421 HydrophobicContact CD1-CE1 3.95Å; I2384-I2422 HydrophobicContact CD1-CB 4.43Å; I2384-I2422 HydrophobicContact CD1-CD1 3.36Å; I2384-I2422 HydrophobicContact CD1-CG1 3.34Å; I2384-I2422 HydrophobicContact CD1-CG2 4.28Å; I2384-L2425 HydrophobicContact CD1-CD1 3.54Å; I2384-L2425 HydrophobicContact CG1-CD1 4.48Å
2385	I	42.6	Very low	37.8	Very low	15.8 Å²	15.8	69.5 Å²	69.5	8%	0.081	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.7	176.8	-55.6	-174.2	0	0	0	108.4	F2364 N2369 Y2370 I2372 L2393 I2394	F2364-I2385 HydrophobicContact CD2-CD1 3.98Å; F2364-I2385 HydrophobicContact CE2-CD1 3.49Å; F2364-I2385 VanDerWaalsContact CE2-CD1 3.45Å; F2364-I2385 HydrophobicContact CZ-CD1 4.23Å; N2369-I2385 CarbonylContact C-O 3.58Å; N2369-I2385 VanDerWaalsContact CA-O 3.24Å; N2369-I2385 WeakPolarHBondContact CA-O 3.32Å; Y2370-I2385 HydrophobicContact CD2-CB 4.45Å; Y2370-I2385 PolarHBondContact N-O 2.87Å; Y2370-I2385 VanDerWaalsContact N-O 3.08Å; Y2370-I2385 PolarHBondContact O-N 3.28Å; Y2370-I2385 VanDerWaalsContact O-N 3.16Å; I2372-I2385 HydrophobicContact CD1-CD1 3.47Å; I2372-I2385 VanDerWaalsContact CD1-CD1 3.42Å; I2372-I2385 HydrophobicContact CD1-CG1 4.03Å; I2385-L2393 CarbonylContact C-O 3.46Å; I2385-L2393 WeakPolarHBondContact CA-O 3.18Å; I2385-I2394 HydrophobicContact CB-CG1 4.5Å; I2385-I2394 HydrophobicContact CD1-CD1 4.34Å; I2385-I2394 HydrophobicContact CD1-CG1 4.4Å; I2385-I2394 HydrophobicContact CD1-CG2 4.45Å; I2385-I2394 HydrophobicContact CG1-CB 4.39Å; I2385-I2394 HydrophobicContact CG1-CG1 4.24Å; I2385-I2394 HydrophobicContact CG1-CG2 3.87Å; I2385-I2394 HydrophobicContact CG2-CG1 4.19Å
2386	F	41.8	Very low	37.4	Very low	47.6 Å²	47.6	70.4 Å²	70.4	21%	0.209	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.2	166.8	-61.8	-92	0	0	0	108.8	I2384 Y2392 L2393 I2395 F2421 L2425 T2429	I2384-F2386 HydrophobicContact CB-CD2 4.48Å; I2384-F2386 HydrophobicContact CB-CE2 4.12Å; I2384-F2386 HydrophobicContact CG2-CD2 3.9Å; I2384-F2386 HydrophobicContact CG2-CE1 4.46Å; I2384-F2386 HydrophobicContact CG2-CE2 3.35Å; I2384-F2386 VanDerWaalsContact CG2-CE2 3.44Å; I2384-F2386 HydrophobicContact CG2-CZ 3.71Å; F2386-Y2392 WeakPolarHBondContact O-CA 3.45Å; F2386-L2393 HydrophobicContact CB-CB 4.13Å; F2386-L2393 HydrophobicContact CB-CD2 4.39Å; F2386-L2393 HydrophobicContact CD2-CB 4.41Å; F2386-L2393 HydrophobicContact CD2-CD2 3.74Å; F2386-L2393 HydrophobicContact CE2-CD2 4.38Å; F2386-L2393 HydrophobicContact CG-CD2 4.36Å; F2386-L2393 PolarHBondContact N-O 3.07Å; F2386-L2393 PolarHBondContact O-N 2.96Å; F2386-I2395 HydrophobicContact CD2-CD1 4.2Å; F2386-I2395 HydrophobicContact CD2-CG1 4.34Å; F2386-I2395 HydrophobicContact CE2-CD1 3.75Å; F2386-I2395 HydrophobicContact CE2-CG1 4.31Å; F2386-F2421 HydrophobicContact CZ-CE1 4.31Å; F2386-F2421 HydrophobicContact CZ-CZ 4.49Å; F2386-L2425 HydrophobicContact CD1-CD2 4.18Å; F2386-L2425 HydrophobicContact CD2-CD2 4.41Å; F2386-L2425 HydrophobicContact CE1-CB 4.12Å; F2386-L2425 HydrophobicContact CE1-CD2 3.7Å; F2386-L2425 HydrophobicContact CE2-CD2 3.95Å; F2386-L2425 HydrophobicContact CZ-CB 3.81Å; F2386-L2425 HydrophobicContact CZ-CD1 4.37Å; F2386-L2425 HydrophobicContact CZ-CD2 3.58Å; F2386-L2425 HydrophobicContact CZ-CG 4.12Å; F2386-T2429 HydrophobicContact CD1-CG2 4.31Å
2387	K	39.9	Very low	37.6	Very low	34.4 Å²	34.4	69.1 Å²	69.1	15%	0.15	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.1	178.5	-164.7	174.9	170.2	-169.6	0	110.1	F2364 K2365 E2366 N2367 N2389 Y2392	F2364-K2387 HydrophobicContact CB-CD 4.44Å; F2364-K2387 PolarHBondContact O-NZ 3.03Å; K2365-K2387 VanDerWaalsContact C-NZ 3.31Å; K2365-K2387 PolarHBondContact O-NZ 2.94Å; E2366-K2387 VanDerWaalsContact O-CD 3.3Å; E2366-K2387 WeakPolarHBondContact O-CD 3.27Å; E2366-K2387 WeakPolarHBondContact O-CE 3.46Å; E2366-K2387 PolarHBondContact O-NZ 3.24Å; E2366-K2387 VanDerWaalsContact O-NZ 3.12Å; N2367-K2387 VanDerWaalsContact OD1-CE 3.32Å; N2367-K2387 WeakPolarHBondContact OD1-CE 3.16Å; N2367-K2387 PolarHBondContact OD1-NZ 2.98Å; K2387-N2389 WeakPolarHBondContact CE-O 3.34Å; K2387-Y2392 HydrophobicContact CD-CD1 4.35Å; K2387-Y2392 HydrophobicContact CD-CE1 4.2Å; K2387-Y2392 HydrophobicContact CG-CD1 4.29Å; K2387-Y2392 HydrophobicContact CG-CE1 4.35Å
2388	S	32.7	Very low	37.8	Very low	77.4 Å²	77.4	65.3 Å²	65.3	54%	0.541	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	107.7	174.2	146.3	0	0	0	0	108.5	K2390 N2391	S2388-K2390 PolarHBondContact O-N 3.09Å; S2388-K2390 VanDerWaalsContact O-N 3.11Å; S2388-N2391 PolarHBondContact N-O 3.12Å; S2388-N2391 VanDerWaalsContact N-O 3.13Å; S2388-N2391 WeakPolarHBondContact O-CA 3.31Å; S2388-N2391 WeakPolarHBondContact O-CB 3.2Å; S2388-N2391 PolarHBondContact O-N 3.16Å; S2388-N2391 VanDerWaalsContact O-N 3.07Å
2389	N	38.6	Very low	37.5	Very low	133.2 Å²	133.2	60.3 Å²	60.3	71%	0.712	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	-127.4	178.8	-65.6	-22.4	0	0	0	113.9	N2367 K2387 N2391	N2367-N2389 PolarHBondContact ND2-OD1 3.04Å; N2367-N2389 PolarHBondContact OD1-N 2.98Å; K2387-N2389 WeakPolarHBondContact CE-O 3.34Å; N2389-N2391 VanDerWaalsContact C-N 3.25Å; N2389-N2391 PolarHBondContact O-N 2.81Å; N2389-N2391 VanDerWaalsContact O-N 3.12Å
2390	K	30.6	Very low	37.2	Very low	179.8 Å²	179.8	63.1 Å²	63.1	78%	0.782	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.2	-179.8	-64.6	-177.9	177.8	178.1	0	114.6	S2388 Y2392	S2388-K2390 PolarHBondContact O-N 3.09Å; S2388-K2390 VanDerWaalsContact O-N 3.11Å; K2390-Y2392 WeakPolarHBondContact O-CE2 3.35Å
2391	N	32.1	Very low	36.6	Very low	97.4 Å²	97.4	67 Å²	67	52%	0.521	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	143.2	-177.7	-61.5	0.8	0	0	0	110.4	S2388 N2389 L2412	S2388-N2391 PolarHBondContact N-O 3.12Å; S2388-N2391 VanDerWaalsContact N-O 3.13Å; S2388-N2391 WeakPolarHBondContact O-CA 3.31Å; S2388-N2391 WeakPolarHBondContact O-CB 3.2Å; S2388-N2391 PolarHBondContact O-N 3.16Å; S2388-N2391 VanDerWaalsContact O-N 3.07Å; N2389-N2391 VanDerWaalsContact C-N 3.25Å; N2389-N2391 PolarHBondContact O-N 2.81Å; N2389-N2391 VanDerWaalsContact O-N 3.12Å; N2391-L2412 HydrophobicContact CB-CD1 4.3Å; N2391-L2412 HydrophobicContact CB-CD2 4.05Å; N2391-L2412 HydrophobicContact CB-CG 4.12Å
2392	Y	34.9	Very low	36	Very low	118 Å²	118	67 Å²	67	46%	0.463	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.1	178.6	-30.7	-88.4	0	0	0	109	F2386 K2387 K2390 I2394 D2409	F2386-Y2392 WeakPolarHBondContact O-CA 3.45Å; K2387-Y2392 HydrophobicContact CD-CD1 4.35Å; K2387-Y2392 HydrophobicContact CD-CE1 4.2Å; K2387-Y2392 HydrophobicContact CG-CD1 4.29Å; K2387-Y2392 HydrophobicContact CG-CE1 4.35Å; K2390-Y2392 WeakPolarHBondContact O-CE2 3.35Å; Y2392-I2394 HydrophobicContact CD2-CD1 4.13Å; Y2392-I2394 HydrophobicContact CD2-CG1 4.2Å; Y2392-I2394 HydrophobicContact CE2-CD1 4.49Å; Y2392-D2409 HydrophobicContact CD1-CB 4.2Å; Y2392-D2409 HydrophobicContact CD2-CB 4.03Å; Y2392-D2409 HydrophobicContact CE1-CB 3.78Å; Y2392-D2409 HydrophobicContact CE2-CB 3.58Å; Y2392-D2409 WeakPolarHBondContact CE2-OD2 3.43Å; Y2392-D2409 HydrophobicContact CG-CB 4.32Å; Y2392-D2409 VanDerWaalsContact CZ-CB 3.43Å; Y2392-D2409 PolarHBondContact O-N 3.48Å; Y2392-D2409 PolarHBondContact OH-OD1 3.39Å; Y2392-D2409 PolarHBondContact OH-OD2 2.84Å
2393	L	34.1	Very low	35.3	Very low	51.2 Å²	51.2	69 Å²	69	27%	0.268	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	111.9	163.3	-173.9	120.3	0	0	0	107	I2385 F2386 I2395 I2406 S2407 I2408 L2412 F2414	I2385-L2393 CarbonylContact C-O 3.46Å; I2385-L2393 WeakPolarHBondContact CA-O 3.18Å; F2386-L2393 HydrophobicContact CB-CB 4.13Å; F2386-L2393 HydrophobicContact CB-CD2 4.39Å; F2386-L2393 HydrophobicContact CD2-CB 4.41Å; F2386-L2393 HydrophobicContact CD2-CD2 3.74Å; F2386-L2393 HydrophobicContact CE2-CD2 4.38Å; F2386-L2393 HydrophobicContact CG-CD2 4.36Å; F2386-L2393 PolarHBondContact N-O 3.07Å; F2386-L2393 PolarHBondContact O-N 2.96Å; L2393-I2395 HydrophobicContact CD2-CD1 3.88Å; L2393-I2395 HydrophobicContact CD2-CG1 3.68Å; L2393-I2395 VanDerWaalsContact CD2-CG1 3.48Å; L2393-I2395 HydrophobicContact CG-CG1 4.25Å; L2393-I2406 HydrophobicContact CD1-CG1 4.36Å; L2393-I2406 HydrophobicContact CD1-CG2 3.94Å; L2393-I2406 HydrophobicContact CD2-CG2 4.45Å; L2393-I2406 HydrophobicContact CG-CG2 4.09Å; L2393-S2407 VanDerWaalsContact CA-O 3.32Å; L2393-S2407 WeakPolarHBondContact CA-O 3.38Å; L2393-I2408 HydrophobicContact CD1-CD1 3.81Å; L2393-I2408 HydrophobicContact CD1-CG1 3.79Å; L2393-I2408 HydrophobicContact CG-CG1 4.28Å; L2393-L2412 HydrophobicContact CB-CD1 3.64Å; L2393-F2414 HydrophobicContact CB-CZ 4.34Å; L2393-F2414 HydrophobicContact CD1-CE2 3.59Å; L2393-F2414 HydrophobicContact CD1-CZ 3.72Å; L2393-F2414 HydrophobicContact CD2-CZ 4.28Å; L2393-F2414 HydrophobicContact CG-CZ 4.35Å
2394	I	37.9	Very low	34.7	Very low	63.6 Å²	63.6	69.5 Å²	69.5	33%	0.326	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.6	177.4	-55.6	174.1	0	0	0	107.1	I2384 I2385 Y2392 I2406 S2407	I2384-I2394 WeakPolarHBondContact O-CA 3.39Å; I2385-I2394 HydrophobicContact CB-CG1 4.5Å; I2385-I2394 HydrophobicContact CD1-CD1 4.34Å; I2385-I2394 HydrophobicContact CD1-CG1 4.4Å; I2385-I2394 HydrophobicContact CD1-CG2 4.45Å; I2385-I2394 HydrophobicContact CG1-CB 4.39Å; I2385-I2394 HydrophobicContact CG1-CG1 4.24Å; I2385-I2394 HydrophobicContact CG1-CG2 3.87Å; I2385-I2394 HydrophobicContact CG2-CG1 4.19Å; Y2392-I2394 HydrophobicContact CD2-CD1 4.13Å; Y2392-I2394 HydrophobicContact CD2-CG1 4.2Å; Y2392-I2394 HydrophobicContact CE2-CD1 4.49Å; I2394-I2406 WeakPolarHBondContact O-CA 3.47Å; I2394-S2407 WeakPolarHBondContact CB-OG 3.45Å; I2394-S2407 PolarHBondContact N-O 2.75Å; I2394-S2407 VanDerWaalsContact N-O 3.08Å; I2394-S2407 PolarHBondContact O-N 2.82Å; I2394-S2407 VanDerWaalsContact O-N 3.08Å
2395	I	37.8	Very low	34	Very low	17.4 Å²	17.4	72.1 Å²	72.1	9%	0.089	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	98	171.1	-51.4	-173.4	0	0	0	107	S2383 I2384 F2386 L2393 Y2397 F2404 I2405 F2421 L2425	S2383-I2395 CarbonylContact C-O 3.54Å; S2383-I2395 VanDerWaalsContact CA-O 3.27Å; S2383-I2395 WeakPolarHBondContact CA-O 3.23Å; I2384-I2395 HydrophobicContact CB-CB 4.33Å; I2384-I2395 PolarHBondContact N-O 3.23Å; I2384-I2395 PolarHBondContact O-N 3.14Å; F2386-I2395 HydrophobicContact CD2-CD1 4.2Å; F2386-I2395 HydrophobicContact CD2-CG1 4.34Å; F2386-I2395 HydrophobicContact CE2-CD1 3.75Å; F2386-I2395 HydrophobicContact CE2-CG1 4.31Å; L2393-I2395 HydrophobicContact CD2-CD1 3.88Å; L2393-I2395 HydrophobicContact CD2-CG1 3.68Å; L2393-I2395 VanDerWaalsContact CD2-CG1 3.48Å; L2393-I2395 HydrophobicContact CG-CG1 4.25Å; I2395-Y2397 HydrophobicContact CG2-CD1 4.08Å; I2395-Y2397 HydrophobicContact CG2-CE1 4.33Å; I2395-Y2397 WeakPolarHBondContact O-CD1 3.25Å; I2395-Y2397 VanDerWaalsContact O-CE1 3.25Å; I2395-Y2397 WeakPolarHBondContact O-CE1 3.45Å; I2395-F2404 HydrophobicContact CG2-CD1 3.9Å; I2395-F2404 HydrophobicContact CG2-CE1 3.59Å; I2395-F2404 VanDerWaalsContact CG2-CE1 3.48Å; I2395-F2404 HydrophobicContact CG2-CZ 4.38Å; I2395-I2405 WeakPolarHBondContact CA-O 3.27Å; I2395-F2421 HydrophobicContact CD1-CE1 3.88Å; I2395-L2425 HydrophobicContact CD1-CD1 4.13Å
2396	S	33.7	Very low	33.4	Very low	45.8 Å²	45.8	72.9 Å²	72.9	32%	0.32	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.1	171.9	-49.9	0	0	0	0	109.2	Y2382 S2383 F2404 I2405	Y2382-S2396 CarbonylContact O-C 3.27Å; Y2382-S2396 WeakPolarHBondContact O-CA 3.18Å; S2383-S2396 PolarHBondContact OG-OG 3.12Å; S2396-F2404 CarbonylContact O-C 3.53Å; S2396-F2404 VanDerWaalsContact O-CA 3.3Å; S2396-F2404 WeakPolarHBondContact O-CA 3.35Å; S2396-I2405 PolarHBondContact N-O 2.81Å; S2396-I2405 PolarHBondContact O-N 2.74Å
2397	Y	37.8	Very low	32.6	Very low	31 Å²	31	73.8 Å²	73.8	12%	0.122	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.7	172.7	74.6	-94.9	0	0	0	110.4	F2371 Y2382 I2384 I2395 I2399 L2403 F2404 I2418 I2422 L2425 L2426 T2429	F2371-Y2397 HydrophobicContact CE2-CE1 4.36Å; F2371-Y2397 WeakPolarHBondContact CE2-OH 3.37Å; F2371-Y2397 WeakPolarHBondContact CZ-OH 3.31Å; Y2382-Y2397 WeakPolarHBondContact CB-OH 3.43Å; Y2382-Y2397 HydrophobicContact CD1-CE2 4.37Å; Y2382-Y2397 AromaticContact CD1-CZ 3.85Å; Y2382-Y2397 WeakPolarHBondContact CD1-OH 3.34Å; Y2382-Y2397 AromaticContact CD2-CD2 3.73Å; Y2382-Y2397 HydrophobicContact CD2-CD2 4.05Å; Y2382-Y2397 AromaticContact CD2-CE2 3.45Å; Y2382-Y2397 HydrophobicContact CD2-CE2 3.45Å; Y2382-Y2397 VanDerWaalsContact CD2-CE2 3.45Å; Y2382-Y2397 AromaticContact CD2-CZ 3.77Å; Y2382-Y2397 HydrophobicContact CE2-CE2 4.19Å; Y2382-Y2397 HydrophobicContact CG-CD2 4.27Å; Y2382-Y2397 HydrophobicContact CG-CE1 4.19Å; Y2382-Y2397 AromaticContact CG-CE2 3.45Å; Y2382-Y2397 HydrophobicContact CG-CE2 3.6Å; Y2382-Y2397 VanDerWaalsContact CG-CE2 3.4Å; Y2382-Y2397 AromaticContact CG-CZ 3.43Å; Y2382-Y2397 VanDerWaalsContact CG-OH 3.23Å; Y2382-Y2397 PolarHBondContact N-O 3.12Å; Y2382-Y2397 VanDerWaalsContact N-O 3.15Å; Y2382-Y2397 WeakPolarHBondContact O-CD1 3.27Å; Y2382-Y2397 PolarHBondContact O-N 3.18Å; I2384-Y2397 HydrophobicContact CD1-CE1 4.19Å; I2384-Y2397 HydrophobicContact CG1-CE1 4.13Å; I2384-Y2397 VanDerWaalsContact CG1-OH 3.24Å; I2384-Y2397 WeakPolarHBondContact CG1-OH 3.03Å; I2395-Y2397 HydrophobicContact CG2-CD1 4.08Å; I2395-Y2397 HydrophobicContact CG2-CE1 4.33Å; I2395-Y2397 WeakPolarHBondContact O-CD1 3.25Å; I2395-Y2397 VanDerWaalsContact O-CE1 3.25Å; I2395-Y2397 WeakPolarHBondContact O-CE1 3.45Å; Y2397-I2399 HydrophobicContact CD1-CG1 3.88Å; Y2397-I2399 HydrophobicContact CD2-CG1 4.3Å; Y2397-I2399 HydrophobicContact CE1-CB 4.34Å; Y2397-I2399 HydrophobicContact CE1-CG1 3.72Å; Y2397-I2399 HydrophobicContact CE2-CD1 4.4Å; Y2397-I2399 HydrophobicContact CE2-CG1 4.07Å; Y2397-L2403 WeakPolarHBondContact CA-O 3.39Å; Y2397-F2404 HydrophobicContact CD2-CD1 4.12Å; Y2397-F2404 AromaticContact CD2-CD2 3.72Å; Y2397-F2404 HydrophobicContact CD2-CD2 3.72Å; Y2397-F2404 AromaticContact CD2-CE1 3.81Å; Y2397-F2404 HydrophobicContact CD2-CE1 3.81Å; Y2397-F2404 AromaticContact CD2-CE2 3.36Å; Y2397-F2404 HydrophobicContact CD2-CE2 3.36Å; Y2397-F2404 HydrophobicContact CD2-CG 4.09Å; Y2397-F2404 AromaticContact CD2-CZ 3.4Å; Y2397-F2404 HydrophobicContact CD2-CZ 3.4Å; Y2397-F2404 VanDerWaalsContact CD2-CZ 3.4Å; Y2397-F2404 HydrophobicContact CE2-CD2 4.03Å; Y2397-F2404 AromaticContact CE2-CE2 3.53Å; Y2397-F2404 HydrophobicContact CE2-CE2 3.53Å; Y2397-F2404 AromaticContact CE2-CZ 3.92Å; Y2397-F2404 HydrophobicContact CE2-CZ 3.92Å; Y2397-F2404 HydrophobicContact CG-CE1 4Å; Y2397-F2404 HydrophobicContact CG-CE2 4.23Å; Y2397-F2404 AromaticContact CG-CZ 3.81Å; Y2397-F2404 HydrophobicContact CG-CZ 3.81Å; Y2397-I2418 HydrophobicContact CD1-CG2 4.5Å; Y2397-I2418 HydrophobicContact CD2-CD1 3.76Å; Y2397-I2418 HydrophobicContact CD2-CG1 4.38Å; Y2397-I2418 HydrophobicContact CD2-CG2 3.93Å; Y2397-I2418 HydrophobicContact CE1-CG2 4.24Å; Y2397-I2418 HydrophobicContact CE2-CD1 4.29Å; Y2397-I2418 HydrophobicContact CE2-CG2 3.84Å; Y2397-I2418 HydrophobicContact CG-CD1 4.14Å; Y2397-I2418 HydrophobicContact CG-CG1 4.48Å; Y2397-I2418 HydrophobicContact CG-CG2 4.41Å; Y2397-I2422 HydrophobicContact CE1-CD1 4.35Å; Y2397-I2422 HydrophobicContact CE2-CD1 4.13Å; Y2397-L2425 HydrophobicContact CD1-CD2 4.12Å; Y2397-L2426 HydrophobicContact CE2-CD2 4.25Å; Y2397-T2429 HydrophobicContact CE1-CG2 4.31Å
2398	D	34.4	Very low	32.1	Very low	33.2 Å²	33.2	76.4 Å²	76.4	18%	0.178	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.4	170.5	-167.5	-21.9	0	0	0	107.9	Q2379 N2381 F2400 Q2401 S2402 L2403 I2418	Q2379-D2398 PolarHBondContact NE2-OD2 3.31Å; N2381-D2398 WeakPolarHBondContact OD1-CA 3.32Å; N2381-D2398 VanDerWaalsContact OD1-CB 3.24Å; N2381-D2398 WeakPolarHBondContact OD1-CB 3.39Å; N2381-D2398 VanDerWaalsContact OD1-CG 3.25Å; N2381-D2398 PolarHBondContact OD1-OD2 3.05Å; D2398-F2400 VanDerWaalsContact C-N 3.26Å; D2398-F2400 PolarHBondContact O-N 3.05Å; D2398-F2400 VanDerWaalsContact O-N 3.13Å; D2398-F2400 WeakPolarHBondContact OD1-CD2 3.33Å; D2398-F2400 PolarHBondContact OD1-N 2.88Å; D2398-Q2401 HydrophobicContact CB-CB 4.05Å; D2398-Q2401 HydrophobicContact CB-CG 4.5Å; D2398-Q2401 WeakPolarHBondContact CB-O 3.48Å; D2398-Q2401 CarbonylContact O-C 3.51Å; D2398-Q2401 VanDerWaalsContact O-C 3.23Å; D2398-Q2401 PolarHBondContact O-N 2.93Å; D2398-Q2401 PolarHBondContact OD1-N 2.99Å; D2398-Q2401 VanDerWaalsContact OD2-CD 3.3Å; D2398-Q2401 VanDerWaalsContact OD2-CG 3.25Å; D2398-Q2401 WeakPolarHBondContact OD2-CG 3.45Å; D2398-Q2401 PolarHBondContact OD2-NE2 3.02Å; D2398-S2402 PolarHBondContact O-N 2.9Å; D2398-S2402 VanDerWaalsContact O-N 3.08Å; D2398-L2403 HydrophobicContact CB-CB 4.31Å; D2398-L2403 PolarHBondContact N-O 3.24Å; D2398-L2403 PolarHBondContact O-N 2.77Å; D2398-I2418 VanDerWaalsContact O-CD1 3.24Å; D2398-I2418 WeakPolarHBondContact O-CD1 3.39Å
2399	I	34	Very low	31.8	Very low	73.2 Å²	73.2	79.2 Å²	79.2	38%	0.375	40%	0.401	S	S	.	.	S	Bend	trans	-61.5	-28.3	-176.7	-69.3	-173.9	0	0	0	111.5	T2380 Y2382 Y2397 T2429 P2463	T2380-I2399 HydrophobicContact CG2-CD1 4.36Å; T2380-I2399 WeakPolarHBondContact O-CD1 3.32Å; T2380-I2399 WeakPolarHBondContact OG1-CD1 3.41Å; Y2382-I2399 HydrophobicContact CD2-CD1 3.89Å; Y2382-I2399 HydrophobicContact CD2-CG1 3.79Å; Y2382-I2399 HydrophobicContact CE1-CD1 4.44Å; Y2382-I2399 HydrophobicContact CE2-CD1 3.44Å; Y2382-I2399 VanDerWaalsContact CE2-CD1 3.46Å; Y2382-I2399 HydrophobicContact CE2-CG1 3.58Å; Y2382-I2399 VanDerWaalsContact CE2-CG1 3.44Å; Y2382-I2399 VanDerWaalsContact CZ-CD1 3.44Å; Y2397-I2399 HydrophobicContact CD1-CG1 3.88Å; Y2397-I2399 HydrophobicContact CD2-CG1 4.3Å; Y2397-I2399 HydrophobicContact CE1-CB 4.34Å; Y2397-I2399 HydrophobicContact CE1-CG1 3.72Å; Y2397-I2399 HydrophobicContact CE2-CD1 4.4Å; Y2397-I2399 HydrophobicContact CE2-CG1 4.07Å; I2399-T2429 HydrophobicContact CD1-CG2 4.05Å; I2399-P2463 HydrophobicContact CD1-CG 4.46Å; I2399-P2463 HydrophobicContact CG1-CG 4.39Å; I2399-P2463 HydrophobicContact CG2-CG 3.86Å
2400	F	29.4	Very low	31.2	Very low	151.4 Å²	151.4	78.7 Å²	78.7	66%	0.664	40%	0.399	S	S	*	.	S	Bend	trans	-94.3	-22.8	-177	-69.1	-81.1	0	0	0	113.7	Q1916 D2398 S2402	Q1916-F2400 PolarHBondContact NE2-O 3.49Å; D2398-F2400 VanDerWaalsContact C-N 3.26Å; D2398-F2400 PolarHBondContact O-N 3.05Å; D2398-F2400 VanDerWaalsContact O-N 3.13Å; D2398-F2400 WeakPolarHBondContact OD1-CD2 3.33Å; D2398-F2400 PolarHBondContact OD1-N 2.88Å; F2400-S2402 VanDerWaalsContact C-N 3.31Å; F2400-S2402 PolarHBondContact O-N 2.81Å
2401	Q	29	Very low	31	Very low	114.5 Å²	114.5	78.2 Å²	78.2	54%	0.535	40%	0.397	S	S	.	.			trans	-133.1	78.3	-179.5	-65.4	-175	37.3	0	0	112.2	R1914 Q1916 D2398 L2403	R1914-Q2401 WeakPolarHBondContact CD-O 3.03Å; R1914-Q2401 PolarHBondContact NE-O 3.4Å; R1914-Q2401 VanDerWaalsContact NE-O 3.1Å; Q1916-Q2401 HydrophobicContact CB-CG 4.07Å; Q1916-Q2401 HydrophobicContact CG-CG 3.98Å; Q1916-Q2401 VanDerWaalsContact OE1-N 3.12Å; D2398-Q2401 HydrophobicContact CB-CB 4.05Å; D2398-Q2401 HydrophobicContact CB-CG 4.5Å; D2398-Q2401 WeakPolarHBondContact CB-O 3.48Å; D2398-Q2401 CarbonylContact O-C 3.51Å; D2398-Q2401 VanDerWaalsContact O-C 3.23Å; D2398-Q2401 PolarHBondContact O-N 2.93Å; D2398-Q2401 PolarHBondContact OD1-N 2.99Å; D2398-Q2401 VanDerWaalsContact OD2-CD 3.3Å; D2398-Q2401 VanDerWaalsContact OD2-CG 3.25Å; D2398-Q2401 WeakPolarHBondContact OD2-CG 3.45Å; D2398-Q2401 PolarHBondContact OD2-NE2 3.02Å; Q2401-L2403 VanDerWaalsContact C-N 3.3Å; Q2401-L2403 HydrophobicContact CB-CB 3.62Å; Q2401-L2403 PolarHBondContact O-N 3.15Å; Q2401-L2403 VanDerWaalsContact O-N 3.13Å
2402	S	27.6	Very low	30.7	Very low	44.25 Å²	44.25	76.8 Å²	76.8	31%	0.309	39%	0.389	S	S	.	.			trans	-51	78.3	-178	49.1	0	0	0	0	112	R1914 D2398 F2400 K2415 T2416	R1914-S2402 PolarHBondContact NH2-O 3.48Å; D2398-S2402 PolarHBondContact O-N 2.9Å; D2398-S2402 VanDerWaalsContact O-N 3.08Å; F2400-S2402 VanDerWaalsContact C-N 3.31Å; F2400-S2402 PolarHBondContact O-N 2.81Å; S2402-K2415 WeakPolarHBondContact O-CA 3.49Å; S2402-T2416 WeakPolarHBondContact CB-O 3.49Å; S2402-T2416 VanDerWaalsContact OG-C 3.28Å; S2402-T2416 PolarHBondContact OG-N 3.07Å; S2402-T2416 PolarHBondContact OG-O 3.28Å
2403	L	27.2	Very low	30.3	Very low	84.25 Å²	84.25	79.3 Å²	79.3	44%	0.441	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	105.5	179.6	-163.3	126.6	0	0	0	109.5	R1914 Y2397 D2398 Q2401 I2405 I2459	R1914-L2403 HydrophobicContact CB-CD1 4.46Å; R1914-L2403 HydrophobicContact CG-CD1 3.84Å; Y2397-L2403 WeakPolarHBondContact CA-O 3.39Å; D2398-L2403 HydrophobicContact CB-CB 4.31Å; D2398-L2403 PolarHBondContact N-O 3.24Å; D2398-L2403 PolarHBondContact O-N 2.77Å; Q2401-L2403 VanDerWaalsContact C-N 3.3Å; Q2401-L2403 HydrophobicContact CB-CB 3.62Å; Q2401-L2403 PolarHBondContact O-N 3.15Å; Q2401-L2403 VanDerWaalsContact O-N 3.13Å; L2403-I2405 HydrophobicContact CD2-CD1 4.07Å; L2403-I2405 HydrophobicContact CD2-CG1 3.82Å; L2403-I2405 HydrophobicContact CG-CG1 4.48Å; L2403-I2405 PolarHBondContact O-N 3.18Å; L2403-I2459 HydrophobicContact CD1-CD1 4.21Å
2404	F	29.3	Very low	29.9	Very low	19.75 Å²	19.75	80.7 Å²	80.7	9%	0.087	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.5	174.2	-80	-95.6	0	0	0	110	I2395 S2396 Y2397 F2414 T2416 I2418 F2421 I2422 L2426 I2456 F2458 I2459	I2395-F2404 HydrophobicContact CG2-CD1 3.9Å; I2395-F2404 HydrophobicContact CG2-CE1 3.59Å; I2395-F2404 VanDerWaalsContact CG2-CE1 3.48Å; I2395-F2404 HydrophobicContact CG2-CZ 4.38Å; S2396-F2404 CarbonylContact O-C 3.53Å; S2396-F2404 VanDerWaalsContact O-CA 3.3Å; S2396-F2404 WeakPolarHBondContact O-CA 3.35Å; Y2397-F2404 HydrophobicContact CD2-CD1 4.12Å; Y2397-F2404 AromaticContact CD2-CD2 3.72Å; Y2397-F2404 HydrophobicContact CD2-CD2 3.72Å; Y2397-F2404 AromaticContact CD2-CE1 3.81Å; Y2397-F2404 HydrophobicContact CD2-CE1 3.81Å; Y2397-F2404 AromaticContact CD2-CE2 3.36Å; Y2397-F2404 HydrophobicContact CD2-CE2 3.36Å; Y2397-F2404 HydrophobicContact CD2-CG 4.09Å; Y2397-F2404 AromaticContact CD2-CZ 3.4Å; Y2397-F2404 HydrophobicContact CD2-CZ 3.4Å; Y2397-F2404 VanDerWaalsContact CD2-CZ 3.4Å; Y2397-F2404 HydrophobicContact CE2-CD2 4.03Å; Y2397-F2404 AromaticContact CE2-CE2 3.53Å; Y2397-F2404 HydrophobicContact CE2-CE2 3.53Å; Y2397-F2404 AromaticContact CE2-CZ 3.92Å; Y2397-F2404 HydrophobicContact CE2-CZ 3.92Å; Y2397-F2404 HydrophobicContact CG-CE1 4Å; Y2397-F2404 HydrophobicContact CG-CE2 4.23Å; Y2397-F2404 AromaticContact CG-CZ 3.81Å; Y2397-F2404 HydrophobicContact CG-CZ 3.81Å; F2404-F2414 HydrophobicContact CB-CB 3.82Å; F2404-F2414 HydrophobicContact CB-CD2 4.06Å; F2404-F2414 HydrophobicContact CB-CG 4.35Å; F2404-F2414 WeakPolarHBondContact CB-O 3.42Å; F2404-F2414 HydrophobicContact CD2-CB 4.33Å; F2404-F2414 HydrophobicContact CG-CB 4.25Å; F2404-F2414 PolarHBondContact N-O 3.37Å; F2404-F2414 PolarHBondContact O-N 3.07Å; F2404-T2416 HydrophobicContact CE2-CG2 4.19Å; F2404-T2416 WeakPolarHBondContact CE2-OG1 3.28Å; F2404-T2416 HydrophobicContact CZ-CG2 4.39Å; F2404-I2418 HydrophobicContact CE2-CG1 3.98Å; F2404-I2418 HydrophobicContact CZ-CG1 3.95Å; F2404-F2421 HydrophobicContact CE1-CD1 4.05Å; F2404-F2421 AromaticContact CE1-CE1 3.89Å; F2404-F2421 HydrophobicContact CE1-CE1 3.99Å; F2404-F2421 HydrophobicContact CE1-CG 4.42Å; F2404-F2421 HydrophobicContact CE1-CZ 4.41Å; F2404-F2421 HydrophobicContact CZ-CD1 4.32Å; F2404-I2422 HydrophobicContact CD2-CG2 4.45Å; F2404-I2422 HydrophobicContact CE1-CG1 4.39Å; F2404-I2422 HydrophobicContact CE1-CG2 4.4Å; F2404-I2422 HydrophobicContact CE2-CG2 3.79Å; F2404-I2422 HydrophobicContact CZ-CG2 3.77Å; F2404-L2426 HydrophobicContact CE2-CD2 4.24Å; F2404-L2426 HydrophobicContact CE2-CG 4.45Å; F2404-I2456 HydrophobicContact CD2-CG2 3.96Å; F2404-F2458 HydrophobicContact CB-CD1 3.65Å; F2404-F2458 HydrophobicContact CB-CE1 3.64Å; F2404-F2458 AromaticContact CD2-CE1 3.96Å; F2404-F2458 HydrophobicContact CD2-CE1 3.96Å; F2404-F2458 HydrophobicContact CD2-CZ 4.25Å; F2404-F2458 HydrophobicContact CG-CD1 4.34Å; F2404-F2458 AromaticContact CG-CE1 3.82Å; F2404-F2458 HydrophobicContact CG-CE1 3.82Å; F2404-I2459 PolarHBondContact O-N 3.13Å; F2404-I2459 VanDerWaalsContact O-N 3.14Å
2405	I	28	Very low	29.4	Very low	81.5 Å²	81.5	87 Å²	87	42%	0.418	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	107.6	168	-54.6	178.3	0	0	0	107.3	I2395 S2396 L2403 F2411 Y2413 V2461	I2395-I2405 WeakPolarHBondContact CA-O 3.27Å; S2396-I2405 PolarHBondContact N-O 2.81Å; S2396-I2405 PolarHBondContact O-N 2.74Å; L2403-I2405 HydrophobicContact CD2-CD1 4.07Å; L2403-I2405 HydrophobicContact CD2-CG1 3.82Å; L2403-I2405 HydrophobicContact CG-CG1 4.48Å; L2403-I2405 PolarHBondContact O-N 3.18Å; I2405-F2411 HydrophobicContact CG2-CD1 4.27Å; I2405-F2411 HydrophobicContact CG2-CE1 4.2Å; I2405-Y2413 HydrophobicContact CG1-CE1 4.48Å; I2405-V2461 HydrophobicContact CG2-CG2 4.47Å
2406	I	29.6	Very low	29.1	Very low	31.25 Å²	31.25	89.3 Å²	89.3	16%	0.16	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	110.7	171.6	-59.7	-176.9	0	0	0	107.6	L2393 I2394 I2408 L2412 F2414 F2458 I2459 L2460 V2461	L2393-I2406 HydrophobicContact CD1-CG1 4.36Å; L2393-I2406 HydrophobicContact CD1-CG2 3.94Å; L2393-I2406 HydrophobicContact CD2-CG2 4.45Å; L2393-I2406 HydrophobicContact CG-CG2 4.09Å; I2394-I2406 WeakPolarHBondContact O-CA 3.47Å; I2406-I2408 HydrophobicContact CG2-CD1 3.69Å; I2406-I2408 HydrophobicContact CG2-CG1 3.75Å; I2406-I2408 PolarHBondContact O-N 3.04Å; I2406-L2412 HydrophobicContact CB-CB 4.12Å; I2406-L2412 PolarHBondContact N-O 2.73Å; I2406-L2412 PolarHBondContact O-N 3.49Å; I2406-F2414 HydrophobicContact CB-CE2 4.18Å; I2406-F2414 HydrophobicContact CD1-CD2 3.71Å; I2406-F2414 HydrophobicContact CD1-CE2 3.54Å; I2406-F2414 HydrophobicContact CD1-CZ 4Å; I2406-F2414 HydrophobicContact CG1-CD2 4.16Å; I2406-F2414 HydrophobicContact CG1-CE2 3.65Å; I2406-F2458 HydrophobicContact CD1-CD1 4.02Å; I2406-I2459 PolarHBondContact N-O 3.02Å; I2406-L2460 WeakPolarHBondContact O-CA 3.43Å; I2406-V2461 PolarHBondContact O-N 2.99Å
2407	S	26.6	Very low	29.1	Very low	68.25 Å²	68.25	92.2 Å²	92.2	48%	0.477	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	102.7	173.8	121.3	0	0	0	0	110.1	L2393 I2394 V2461	L2393-S2407 VanDerWaalsContact CA-O 3.32Å; L2393-S2407 WeakPolarHBondContact CA-O 3.38Å; I2394-S2407 WeakPolarHBondContact CB-OG 3.45Å; I2394-S2407 PolarHBondContact N-O 2.75Å; I2394-S2407 VanDerWaalsContact N-O 3.08Å; I2394-S2407 PolarHBondContact O-N 2.82Å; I2394-S2407 VanDerWaalsContact O-N 3.08Å; S2407-V2461 WeakPolarHBondContact CA-O 3.49Å
2408	I	28.3	Very low	29	Very low	88.75 Å²	88.75	92.8 Å²	92.8	46%	0.455	46%	0.459	S	S	.	.	S	Bend	trans	-130.3	82.5	173.3	-55.6	173.6	0	0	0	107.9	L2393 I2406 N2410 L2460 V2461 P2463	L2393-I2408 HydrophobicContact CD1-CD1 3.81Å; L2393-I2408 HydrophobicContact CD1-CG1 3.79Å; L2393-I2408 HydrophobicContact CG-CG1 4.28Å; I2406-I2408 HydrophobicContact CG2-CD1 3.69Å; I2406-I2408 HydrophobicContact CG2-CG1 3.75Å; I2406-I2408 PolarHBondContact O-N 3.04Å; I2408-N2410 WeakPolarHBondContact CG2-O 3.28Å; I2408-N2410 PolarHBondContact O-N 3.08Å; I2408-N2410 VanDerWaalsContact O-N 3.14Å; I2408-L2460 HydrophobicContact CD1-CD1 4.3Å; I2408-L2460 HydrophobicContact CD1-CD2 4.26Å; I2408-L2460 HydrophobicContact CD1-CG 4.34Å; I2408-V2461 PolarHBondContact N-O 2.86Å; I2408-P2463 VanDerWaalsContact O-CD 3.25Å; I2408-P2463 WeakPolarHBondContact O-CD 3.41Å
2409	D	27	Very low	29	Very low	135.25 Å²	135.25	98.2 Å²	98.2	72%	0.723	48%	0.482	S	S	*	.	S	Bend	trans	30.8	13.3	175.9	-73.6	-34.1	0	0	0	116.7	Y2392 P2463	Y2392-D2409 HydrophobicContact CD1-CB 4.2Å; Y2392-D2409 HydrophobicContact CD2-CB 4.03Å; Y2392-D2409 HydrophobicContact CE1-CB 3.78Å; Y2392-D2409 HydrophobicContact CE2-CB 3.58Å; Y2392-D2409 WeakPolarHBondContact CE2-OD2 3.43Å; Y2392-D2409 HydrophobicContact CG-CB 4.32Å; Y2392-D2409 VanDerWaalsContact CZ-CB 3.43Å; Y2392-D2409 PolarHBondContact O-N 3.48Å; Y2392-D2409 PolarHBondContact OH-OD1 3.39Å; Y2392-D2409 PolarHBondContact OH-OD2 2.84Å; D2409-P2463 WeakPolarHBondContact OD1-CG 3.48Å
2410	N	26.7	Very low	29.1	Very low	122.5 Å²	122.5	100 Å²	100	66%	0.655	49%	0.487	S	S	*	.	S	Bend	trans	-173.7	142.4	176.6	-74.9	-52.9	0	0	0	110.6	I2408 L2412	I2408-N2410 WeakPolarHBondContact CG2-O 3.28Å; I2408-N2410 PolarHBondContact O-N 3.08Å; I2408-N2410 VanDerWaalsContact O-N 3.14Å; N2410-L2412 PolarHBondContact O-N 2.96Å
2411	F	25.9	Very low	29.4	Very low	168.75 Å²	168.75	96.4 Å²	96.4	74%	0.74	47%	0.471	S	S	*	.			trans	-63.7	118.2	-175.4	-77.4	-90.2	0	0	0	112.4	I2405 Y2413	I2405-F2411 HydrophobicContact CG2-CD1 4.27Å; I2405-F2411 HydrophobicContact CG2-CE1 4.2Å; F2411-Y2413 HydrophobicContact CB-CE1 4.24Å; F2411-Y2413 HydrophobicContact CB-CE2 3.94Å; F2411-Y2413 AromaticContact CD1-CE1 3.59Å; F2411-Y2413 HydrophobicContact CD1-CE1 3.59Å; F2411-Y2413 HydrophobicContact CD1-CE2 4.44Å; F2411-Y2413 AromaticContact CD1-CZ 3.57Å; F2411-Y2413 VanDerWaalsContact CD1-OH 3.24Å; F2411-Y2413 WeakPolarHBondContact CD1-OH 3.48Å; F2411-Y2413 HydrophobicContact CE1-CE1 4.35Å; F2411-Y2413 HydrophobicContact CG-CE1 4.26Å; F2411-Y2413 HydrophobicContact CG-CE2 4.44Å; F2411-Y2413 AromaticContact CG-CZ 3.81Å; F2411-Y2413 WeakPolarHBondContact CG-OH 3.04Å
2412	L	25.8	Very low	29.9	Very low	68 Å²	68	92.6 Å²	92.6	36%	0.356	45%	0.454	S	S	.	.			trans	-112.6	116.9	168	-85.6	161.6	0	0	0	109.6	N2391 L2393 I2406 N2410 F2414 L2468	N2391-L2412 HydrophobicContact CB-CD1 4.3Å; N2391-L2412 HydrophobicContact CB-CD2 4.05Å; N2391-L2412 HydrophobicContact CB-CG 4.12Å; L2393-L2412 HydrophobicContact CB-CD1 3.64Å; I2406-L2412 HydrophobicContact CB-CB 4.12Å; I2406-L2412 PolarHBondContact N-O 2.73Å; I2406-L2412 PolarHBondContact O-N 3.49Å; N2410-L2412 PolarHBondContact O-N 2.96Å; L2412-F2414 HydrophobicContact CB-CD2 4.29Å; L2412-F2414 HydrophobicContact CB-CE2 3.84Å; L2412-F2414 HydrophobicContact CB-CZ 4.39Å; L2412-F2414 HydrophobicContact CD1-CE2 4.44Å; L2412-F2414 HydrophobicContact CD2-CE2 4.07Å; L2412-F2414 HydrophobicContact CD2-CZ 4.36Å; L2412-F2414 HydrophobicContact CG-CE2 4.43Å; L2412-F2414 WeakPolarHBondContact O-CD2 3.36Å; L2412-F2414 PolarHBondContact O-N 2.92Å; L2412-L2468 HydrophobicContact CD1-CD2 3.96Å
2413	Y	25.3	Very low	30.3	Very low	170.75 Å²	170.75	93 Å²	93	67%	0.67	46%	0.457	S	S	*	.			trans	-91.2	121.6	179.2	-88.3	-81.6	0	0	0	110.8	I2405 F2411	I2405-Y2413 HydrophobicContact CG1-CE1 4.48Å; F2411-Y2413 HydrophobicContact CB-CE1 4.24Å; F2411-Y2413 HydrophobicContact CB-CE2 3.94Å; F2411-Y2413 AromaticContact CD1-CE1 3.59Å; F2411-Y2413 HydrophobicContact CD1-CE1 3.59Å; F2411-Y2413 HydrophobicContact CD1-CE2 4.44Å; F2411-Y2413 AromaticContact CD1-CZ 3.57Å; F2411-Y2413 VanDerWaalsContact CD1-OH 3.24Å; F2411-Y2413 WeakPolarHBondContact CD1-OH 3.48Å; F2411-Y2413 HydrophobicContact CE1-CE1 4.35Å; F2411-Y2413 HydrophobicContact CG-CE1 4.26Å; F2411-Y2413 HydrophobicContact CG-CE2 4.44Å; F2411-Y2413 AromaticContact CG-CZ 3.81Å; F2411-Y2413 WeakPolarHBondContact CG-OH 3.04Å
2414	F	27.6	Very low	30.7	Very low	82.25 Å²	82.25	93 Å²	93	36%	0.361	46%	0.457	S	S	.	.			trans	-119	139.1	173.4	-66.5	-86.8	0	0	0	112.3	L2393 F2404 I2406 L2412 T2416 I2418	L2393-F2414 HydrophobicContact CB-CZ 4.34Å; L2393-F2414 HydrophobicContact CD1-CE2 3.59Å; L2393-F2414 HydrophobicContact CD1-CZ 3.72Å; L2393-F2414 HydrophobicContact CD2-CZ 4.28Å; L2393-F2414 HydrophobicContact CG-CZ 4.35Å; F2404-F2414 HydrophobicContact CB-CB 3.82Å; F2404-F2414 HydrophobicContact CB-CD2 4.06Å; F2404-F2414 HydrophobicContact CB-CG 4.35Å; F2404-F2414 WeakPolarHBondContact CB-O 3.42Å; F2404-F2414 HydrophobicContact CD2-CB 4.33Å; F2404-F2414 HydrophobicContact CG-CB 4.25Å; F2404-F2414 PolarHBondContact N-O 3.37Å; F2404-F2414 PolarHBondContact O-N 3.07Å; I2406-F2414 HydrophobicContact CB-CE2 4.18Å; I2406-F2414 HydrophobicContact CD1-CD2 3.71Å; I2406-F2414 HydrophobicContact CD1-CE2 3.54Å; I2406-F2414 HydrophobicContact CD1-CZ 4Å; I2406-F2414 HydrophobicContact CG1-CD2 4.16Å; I2406-F2414 HydrophobicContact CG1-CE2 3.65Å; L2412-F2414 HydrophobicContact CB-CD2 4.29Å; L2412-F2414 HydrophobicContact CB-CE2 3.84Å; L2412-F2414 HydrophobicContact CB-CZ 4.39Å; L2412-F2414 HydrophobicContact CD1-CE2 4.44Å; L2412-F2414 HydrophobicContact CD2-CE2 4.07Å; L2412-F2414 HydrophobicContact CD2-CZ 4.36Å; L2412-F2414 HydrophobicContact CG-CE2 4.43Å; L2412-F2414 WeakPolarHBondContact O-CD2 3.36Å; L2412-F2414 PolarHBondContact O-N 2.92Å; F2414-T2416 VanDerWaalsContact C-N 3.27Å; F2414-T2416 HydrophobicContact CB-CG2 4.49Å; F2414-I2418 HydrophobicContact CB-CG1 4.48Å; F2414-I2418 HydrophobicContact CD1-CG1 4.36Å; F2414-I2418 HydrophobicContact CD2-CD1 3.81Å; F2414-I2418 HydrophobicContact CD2-CG1 4.45Å; F2414-I2418 HydrophobicContact CE2-CD1 4.16Å; F2414-I2418 HydrophobicContact CG-CD1 4.03Å; F2414-I2418 HydrophobicContact CG-CG1 4.17Å
2415	K	26.2	Very low	31	Very low	195.5 Å²	195.5	94.5 Å²	94.5	85%	0.85	47%	0.465	S	S	*	.			trans	-116.6	76.7	174.6	-154.6	-178.4	179.2	-179.1	0	109.4	S2402	S2402-K2415 WeakPolarHBondContact O-CA 3.49Å
2416	T	32.2	Very low	31.3	Very low	65.25 Å²	65.25	94 Å²	94	40%	0.4	46%	0.463	S	S	.	.			trans	-137.6	151.1	-172.4	80.4	0	0	0	0	112.5	S2402 F2404 F2414 I2418 F2421	S2402-T2416 WeakPolarHBondContact CB-O 3.49Å; S2402-T2416 VanDerWaalsContact OG-C 3.28Å; S2402-T2416 PolarHBondContact OG-N 3.07Å; S2402-T2416 PolarHBondContact OG-O 3.28Å; F2404-T2416 HydrophobicContact CE2-CG2 4.19Å; F2404-T2416 WeakPolarHBondContact CE2-OG1 3.28Å; F2404-T2416 HydrophobicContact CZ-CG2 4.39Å; F2414-T2416 VanDerWaalsContact C-N 3.27Å; F2414-T2416 HydrophobicContact CB-CG2 4.49Å; T2416-I2418 PolarHBondContact O-N 3.32Å; T2416-I2418 VanDerWaalsContact O-N 3.14Å; T2416-F2421 HydrophobicContact CG2-CB 4Å; T2416-F2421 HydrophobicContact CG2-CD2 4.39Å; T2416-F2421 HydrophobicContact CG2-CG 4.13Å
2417	N	32.8	Very low	31.4	Very low	106 Å²	106	98.8 Å²	98.8	57%	0.567	48%	0.484	S	S	*	.			trans	-71	112.4	-176.2	-163.3	-14.2	0	0	0	111.6	F2419 K2420 F2421	N2417-F2419 VanDerWaalsContact C-N 3.3Å; N2417-F2419 PolarHBondContact O-N 3.01Å; N2417-K2420 HydrophobicContact CB-CB 4.3Å; N2417-K2420 WeakPolarHBondContact O-CB 3.39Å; N2417-K2420 PolarHBondContact O-N 3.08Å; N2417-F2421 PolarHBondContact O-N 2.88Å
2418	I	35.4	Very low	31.6	Very low	44 Å²	44	99.2 Å²	99.2	23%	0.226	48%	0.484	C	S	.	.	H	α-helix	trans	-53.6	-43.5	-172.5	-70.8	163	0	0	0	112.5	Y2397 D2398 F2404 F2414 T2416 K2420 F2421 I2422	Y2397-I2418 HydrophobicContact CD1-CG2 4.5Å; Y2397-I2418 HydrophobicContact CD2-CD1 3.76Å; Y2397-I2418 HydrophobicContact CD2-CG1 4.38Å; Y2397-I2418 HydrophobicContact CD2-CG2 3.93Å; Y2397-I2418 HydrophobicContact CE1-CG2 4.24Å; Y2397-I2418 HydrophobicContact CE2-CD1 4.29Å; Y2397-I2418 HydrophobicContact CE2-CG2 3.84Å; Y2397-I2418 HydrophobicContact CG-CD1 4.14Å; Y2397-I2418 HydrophobicContact CG-CG1 4.48Å; Y2397-I2418 HydrophobicContact CG-CG2 4.41Å; D2398-I2418 VanDerWaalsContact O-CD1 3.24Å; D2398-I2418 WeakPolarHBondContact O-CD1 3.39Å; F2404-I2418 HydrophobicContact CE2-CG1 3.98Å; F2404-I2418 HydrophobicContact CZ-CG1 3.95Å; F2414-I2418 HydrophobicContact CB-CG1 4.48Å; F2414-I2418 HydrophobicContact CD1-CG1 4.36Å; F2414-I2418 HydrophobicContact CD2-CD1 3.81Å; F2414-I2418 HydrophobicContact CD2-CG1 4.45Å; F2414-I2418 HydrophobicContact CE2-CD1 4.16Å; F2414-I2418 HydrophobicContact CG-CD1 4.03Å; F2414-I2418 HydrophobicContact CG-CG1 4.17Å; T2416-I2418 PolarHBondContact O-N 3.32Å; T2416-I2418 VanDerWaalsContact O-N 3.14Å; I2418-K2420 VanDerWaalsContact C-N 3.32Å; I2418-K2420 PolarHBondContact O-N 3Å; I2418-F2421 WeakPolarHBondContact O-CB 3.21Å; I2418-F2421 PolarHBondContact O-N 3.21Å; I2418-I2422 HydrophobicContact CG2-CD1 3.56Å; I2418-I2422 VanDerWaalsContact CG2-CD1 3.41Å; I2418-I2422 HydrophobicContact CG2-CG1 4.27Å; I2418-I2422 VanDerWaalsContact O-CB 3.32Å; I2418-I2422 WeakPolarHBondContact O-CB 3.3Å; I2418-I2422 WeakPolarHBondContact O-CD1 3.41Å; I2418-I2422 WeakPolarHBondContact O-CG1 3.37Å; I2418-I2422 PolarHBondContact O-N 3.13Å
2419	F	35.5	Very low	31.7	Very low	146.5 Å²	146.5	97.8 Å²	97.8	64%	0.643	48%	0.48	S	S	*	.	H	α-helix	trans	-62.2	-32.4	178.6	-78.9	-78.9	0	0	0	113.2	N2417 F2421 I2422 S2423 F2458	N2417-F2419 VanDerWaalsContact C-N 3.3Å; N2417-F2419 PolarHBondContact O-N 3.01Å; F2419-F2421 VanDerWaalsContact C-N 3.29Å; F2419-F2421 PolarHBondContact O-N 2.88Å; F2419-I2422 PolarHBondContact O-N 3.19Å; F2419-S2423 WeakPolarHBondContact O-CA 3.4Å; F2419-S2423 WeakPolarHBondContact O-CB 3.3Å; F2419-S2423 PolarHBondContact O-N 3.02Å; F2419-S2423 PolarHBondContact O-OG 3.03Å; F2419-S2423 VanDerWaalsContact O-OG 3.1Å; F2419-F2458 HydrophobicContact CE1-CE2 4.45Å; F2419-F2458 HydrophobicContact CE1-CZ 4.43Å
2420	K	34.7	Very low	31.8	Very low	111.75 Å²	111.75	96.4 Å²	96.4	49%	0.486	47%	0.472	S	S	.	.	H	α-helix	trans	-73.9	-35.4	176.6	-140.2	174.8	-176.9	177.1	0	111.5	N2417 I2418 I2422 S2423 I2424 S2454	N2417-K2420 HydrophobicContact CB-CB 4.3Å; N2417-K2420 WeakPolarHBondContact O-CB 3.39Å; N2417-K2420 PolarHBondContact O-N 3.08Å; I2418-K2420 VanDerWaalsContact C-N 3.32Å; I2418-K2420 PolarHBondContact O-N 3Å; K2420-I2422 PolarHBondContact O-N 3.13Å; K2420-S2423 WeakPolarHBondContact CA-OG 3.32Å; K2420-S2423 PolarHBondContact O-N 3.04Å; K2420-S2423 PolarHBondContact O-OG 3.1Å; K2420-I2424 WeakPolarHBondContact O-CB 3.25Å; K2420-I2424 VanDerWaalsContact O-CD1 3.28Å; K2420-I2424 WeakPolarHBondContact O-CD1 3.38Å; K2420-I2424 VanDerWaalsContact O-CG1 3.25Å; K2420-I2424 WeakPolarHBondContact O-CG1 3.34Å; K2420-I2424 PolarHBondContact O-N 3.04Å; K2420-S2454 VanDerWaalsContact NZ-CA 3.27Å
2421	F	37.4	Very low	31.8	Very low	76 Å²	76	96.1 Å²	96.1	33%	0.333	47%	0.47	S	S	.	.	H	α-helix	trans	-70.2	-43.9	174.7	-168	-101.4	0	0	0	111.5	I2384 F2386 I2395 F2404 T2416 N2417 I2418 F2419 S2423 I2424 L2425	I2384-F2421 HydrophobicContact CD1-CE1 3.95Å; F2386-F2421 HydrophobicContact CZ-CE1 4.31Å; F2386-F2421 HydrophobicContact CZ-CZ 4.49Å; I2395-F2421 HydrophobicContact CD1-CE1 3.88Å; F2404-F2421 HydrophobicContact CE1-CD1 4.05Å; F2404-F2421 AromaticContact CE1-CE1 3.89Å; F2404-F2421 HydrophobicContact CE1-CE1 3.99Å; F2404-F2421 HydrophobicContact CE1-CG 4.42Å; F2404-F2421 HydrophobicContact CE1-CZ 4.41Å; F2404-F2421 HydrophobicContact CZ-CD1 4.32Å; T2416-F2421 HydrophobicContact CG2-CB 4Å; T2416-F2421 HydrophobicContact CG2-CD2 4.39Å; T2416-F2421 HydrophobicContact CG2-CG 4.13Å; N2417-F2421 PolarHBondContact O-N 2.88Å; I2418-F2421 WeakPolarHBondContact O-CB 3.21Å; I2418-F2421 PolarHBondContact O-N 3.21Å; F2419-F2421 VanDerWaalsContact C-N 3.29Å; F2419-F2421 PolarHBondContact O-N 2.88Å; F2421-S2423 VanDerWaalsContact C-N 3.34Å; F2421-S2423 PolarHBondContact O-N 3.01Å; F2421-I2424 PolarHBondContact O-N 2.93Å; F2421-L2425 HydrophobicContact CD1-CD1 3.76Å; F2421-L2425 HydrophobicContact CD2-CD1 4.24Å; F2421-L2425 HydrophobicContact CE1-CD1 3.33Å; F2421-L2425 HydrophobicContact CE2-CD1 3.81Å; F2421-L2425 HydrophobicContact CG-CD1 4.31Å; F2421-L2425 HydrophobicContact CZ-CD1 3.77Å; F2421-L2425 WeakPolarHBondContact O-CB 3.25Å; F2421-L2425 PolarHBondContact O-N 2.92Å
2422	I	37.9	Very low	31.9	Very low	35 Å²	35	93.9 Å²	93.9	18%	0.179	47%	0.466	C	S	.	.	H	α-helix	trans	-62.3	-42.4	174.2	-66.6	169.3	0	0	0	111.1	I2384 Y2397 F2404 I2418 F2419 K2420 I2424 L2425 L2426 F2458	I2384-I2422 HydrophobicContact CD1-CB 4.43Å; I2384-I2422 HydrophobicContact CD1-CD1 3.36Å; I2384-I2422 HydrophobicContact CD1-CG1 3.34Å; I2384-I2422 HydrophobicContact CD1-CG2 4.28Å; Y2397-I2422 HydrophobicContact CE1-CD1 4.35Å; Y2397-I2422 HydrophobicContact CE2-CD1 4.13Å; F2404-I2422 HydrophobicContact CD2-CG2 4.45Å; F2404-I2422 HydrophobicContact CE1-CG1 4.39Å; F2404-I2422 HydrophobicContact CE1-CG2 4.4Å; F2404-I2422 HydrophobicContact CE2-CG2 3.79Å; F2404-I2422 HydrophobicContact CZ-CG2 3.77Å; I2418-I2422 HydrophobicContact CG2-CD1 3.56Å; I2418-I2422 VanDerWaalsContact CG2-CD1 3.41Å; I2418-I2422 HydrophobicContact CG2-CG1 4.27Å; I2418-I2422 VanDerWaalsContact O-CB 3.32Å; I2418-I2422 WeakPolarHBondContact O-CB 3.3Å; I2418-I2422 WeakPolarHBondContact O-CD1 3.41Å; I2418-I2422 WeakPolarHBondContact O-CG1 3.37Å; I2418-I2422 PolarHBondContact O-N 3.13Å; F2419-I2422 PolarHBondContact O-N 3.19Å; K2420-I2422 PolarHBondContact O-N 3.13Å; I2422-I2424 VanDerWaalsContact C-N 3.33Å; I2422-I2424 PolarHBondContact O-N 3.19Å; I2422-L2425 CarbonylContact O-C 3.45Å; I2422-L2425 WeakPolarHBondContact O-CB 3.21Å; I2422-L2425 PolarHBondContact O-N 2.9Å; I2422-L2426 HydrophobicContact CG2-CD1 3.77Å; I2422-L2426 VanDerWaalsContact CG2-CD1 3.5Å; I2422-L2426 HydrophobicContact CG2-CG 4.22Å; I2422-L2426 VanDerWaalsContact O-CB 3.24Å; I2422-L2426 WeakPolarHBondContact O-CB 3.37Å; I2422-L2426 WeakPolarHBondContact O-CD1 3.45Å; I2422-L2426 WeakPolarHBondContact O-CG 3.38Å; I2422-L2426 PolarHBondContact O-N 3.39Å; I2422-F2458 HydrophobicContact CD1-CE1 3.73Å; I2422-F2458 HydrophobicContact CD1-CZ 4.2Å; I2422-F2458 HydrophobicContact CG2-CZ 4.34Å
2423	S	37	Very low	32	Very low	52.5 Å²	52.5	95.9 Å²	95.9	37%	0.367	48%	0.477	S	S	.	.	H	α-helix	trans	-65	-34.4	177.1	70.5	0	0	0	0	113.1	F2419 K2420 F2421 H2427	F2419-S2423 WeakPolarHBondContact O-CA 3.4Å; F2419-S2423 WeakPolarHBondContact O-CB 3.3Å; F2419-S2423 PolarHBondContact O-N 3.02Å; F2419-S2423 PolarHBondContact O-OG 3.03Å; F2419-S2423 VanDerWaalsContact O-OG 3.1Å; K2420-S2423 WeakPolarHBondContact CA-OG 3.32Å; K2420-S2423 PolarHBondContact O-N 3.04Å; K2420-S2423 PolarHBondContact O-OG 3.1Å; F2421-S2423 VanDerWaalsContact C-N 3.34Å; F2421-S2423 PolarHBondContact O-N 3.01Å; S2423-H2427 WeakPolarHBondContact O-CB 3.29Å; S2423-H2427 PolarHBondContact O-CD2 3.07Å; S2423-H2427 VanDerWaalsContact O-CD2 3.31Å; S2423-H2427 PolarHBondContact O-N 3.15Å
2424	I	35.7	Very low	32.1	Very low	84.5 Å²	84.5	94.7 Å²	94.7	43%	0.433	48%	0.477	S	S	.	.	H	α-helix	trans	-71.5	-39.6	175	-69.3	163.8	0	0	0	110.3	K2420 F2421 I2422 H2427 T2428 F2505	K2420-I2424 WeakPolarHBondContact O-CB 3.25Å; K2420-I2424 VanDerWaalsContact O-CD1 3.28Å; K2420-I2424 WeakPolarHBondContact O-CD1 3.38Å; K2420-I2424 VanDerWaalsContact O-CG1 3.25Å; K2420-I2424 WeakPolarHBondContact O-CG1 3.34Å; K2420-I2424 PolarHBondContact O-N 3.04Å; F2421-I2424 PolarHBondContact O-N 2.93Å; I2422-I2424 VanDerWaalsContact C-N 3.33Å; I2422-I2424 PolarHBondContact O-N 3.19Å; I2424-H2427 PolarHBondContact O-N 3.16Å; I2424-T2428 HydrophobicContact CG2-CG2 4.27Å; I2424-T2428 WeakPolarHBondContact O-CB 3.31Å; I2424-T2428 VanDerWaalsContact O-CG2 3.3Å; I2424-T2428 WeakPolarHBondContact O-CG2 3.33Å; I2424-T2428 PolarHBondContact O-N 3Å; I2424-T2428 VanDerWaalsContact O-N 3.13Å; I2424-T2428 PolarHBondContact O-OG1 3.1Å; I2424-F2505 HydrophobicContact CB-CE1 4.43Å; I2424-F2505 HydrophobicContact CD1-CD1 3.59Å; I2424-F2505 HydrophobicContact CD1-CE1 3.15Å; I2424-F2505 HydrophobicContact CD1-CE2 4.47Å; I2424-F2505 HydrophobicContact CD1-CG 4.44Å; I2424-F2505 HydrophobicContact CD1-CZ 3.65Å; I2424-F2505 HydrophobicContact CG1-CD1 4.3Å; I2424-F2505 HydrophobicContact CG1-CE1 3.78Å; I2424-F2505 HydrophobicContact CG2-CE1 3.86Å; I2424-F2505 HydrophobicContact CG2-CZ 4.27Å
2425	L	35.4	Very low	32	Very low	50 Å²	50	99.1 Å²	99.1	26%	0.262	50%	0.499	S	S	.	.	H	α-helix	trans	-64.6	-41.8	175.7	-120.5	147.8	0	0	0	112.1	I2384 F2386 I2395 Y2397 F2421 I2422 H2427 T2428 T2429	I2384-L2425 HydrophobicContact CD1-CD1 3.54Å; I2384-L2425 HydrophobicContact CG1-CD1 4.48Å; F2386-L2425 HydrophobicContact CD1-CD2 4.18Å; F2386-L2425 HydrophobicContact CD2-CD2 4.41Å; F2386-L2425 HydrophobicContact CE1-CB 4.12Å; F2386-L2425 HydrophobicContact CE1-CD2 3.7Å; F2386-L2425 HydrophobicContact CE2-CD2 3.95Å; F2386-L2425 HydrophobicContact CZ-CB 3.81Å; F2386-L2425 HydrophobicContact CZ-CD1 4.37Å; F2386-L2425 HydrophobicContact CZ-CD2 3.58Å; F2386-L2425 HydrophobicContact CZ-CG 4.12Å; I2395-L2425 HydrophobicContact CD1-CD1 4.13Å; Y2397-L2425 HydrophobicContact CD1-CD2 4.12Å; F2421-L2425 HydrophobicContact CD1-CD1 3.76Å; F2421-L2425 HydrophobicContact CD2-CD1 4.24Å; F2421-L2425 HydrophobicContact CE1-CD1 3.33Å; F2421-L2425 HydrophobicContact CE2-CD1 3.81Å; F2421-L2425 HydrophobicContact CG-CD1 4.31Å; F2421-L2425 HydrophobicContact CZ-CD1 3.77Å; F2421-L2425 WeakPolarHBondContact O-CB 3.25Å; F2421-L2425 PolarHBondContact O-N 2.92Å; I2422-L2425 CarbonylContact O-C 3.45Å; I2422-L2425 WeakPolarHBondContact O-CB 3.21Å; I2422-L2425 PolarHBondContact O-N 2.9Å; L2425-H2427 VanDerWaalsContact C-N 3.32Å; L2425-H2427 PolarHBondContact O-N 2.9Å; L2425-T2428 WeakPolarHBondContact CA-OG1 3.07Å; L2425-T2428 PolarHBondContact O-N 3.39Å; L2425-T2428 VanDerWaalsContact O-N 3.12Å; L2425-T2428 PolarHBondContact O-OG1 2.92Å; L2425-T2429 HydrophobicContact CD2-CG2 4.5Å; L2425-T2429 WeakPolarHBondContact O-CB 3.24Å; L2425-T2429 VanDerWaalsContact O-CG2 3.3Å; L2425-T2429 WeakPolarHBondContact O-CG2 3.33Å; L2425-T2429 PolarHBondContact O-N 3.18Å; L2425-T2429 VanDerWaalsContact O-N 3.17Å; L2425-T2429 PolarHBondContact O-OG1 3.27Å
2426	L	34	Very low	32	Very low	71 Å²	71	98.4 Å²	98.4	37%	0.372	50%	0.496	S	S	.	.	H	α-helix	trans	-67.1	-40.8	174.3	-70.8	168.4	0	0	0	111.8	Y2397 F2404 I2422 T2428 T2429 D2430 I2456	Y2397-L2426 HydrophobicContact CE2-CD2 4.25Å; F2404-L2426 HydrophobicContact CE2-CD2 4.24Å; F2404-L2426 HydrophobicContact CE2-CG 4.45Å; I2422-L2426 HydrophobicContact CG2-CD1 3.77Å; I2422-L2426 VanDerWaalsContact CG2-CD1 3.5Å; I2422-L2426 HydrophobicContact CG2-CG 4.22Å; I2422-L2426 VanDerWaalsContact O-CB 3.24Å; I2422-L2426 WeakPolarHBondContact O-CB 3.37Å; I2422-L2426 WeakPolarHBondContact O-CD1 3.45Å; I2422-L2426 WeakPolarHBondContact O-CG 3.38Å; I2422-L2426 PolarHBondContact O-N 3.39Å; L2426-T2428 PolarHBondContact O-N 3.04Å; L2426-T2429 WeakPolarHBondContact CA-OG1 3.46Å; L2426-T2429 PolarHBondContact O-N 3.32Å; L2426-T2429 PolarHBondContact O-OG1 3.27Å; L2426-D2430 PolarHBondContact O-N 3.05Å; L2426-D2430 VanDerWaalsContact O-N 3.16Å; L2426-I2456 HydrophobicContact CD1-CD1 4.02Å
2427	H	32.6	Very low	31.8	Very low	132.5 Å²	132.5	103.4 Å²	103.4	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-68	-22.9	176.2	-107.1	-54.1	0	0	0	113.9	S2423 I2424 L2425 N2431	S2423-H2427 WeakPolarHBondContact O-CB 3.29Å; S2423-H2427 PolarHBondContact O-CD2 3.07Å; S2423-H2427 VanDerWaalsContact O-CD2 3.31Å; S2423-H2427 PolarHBondContact O-N 3.15Å; I2424-H2427 PolarHBondContact O-N 3.16Å; L2425-H2427 VanDerWaalsContact C-N 3.32Å; L2425-H2427 PolarHBondContact O-N 2.9Å; H2427-N2431 PolarHBondContact O-ND2 2.84Å
2428	T	31	Very low	31.4	Very low	76.5 Å²	76.5	104.9 Å²	104.9	47%	0.469	52%	0.522	S	S	.	.	H	α-helix	trans	-86.8	-20.3	177.3	49.7	0	0	0	0	113.6	I2424 L2425 L2426 L2432	I2424-T2428 HydrophobicContact CG2-CG2 4.27Å; I2424-T2428 WeakPolarHBondContact O-CB 3.31Å; I2424-T2428 VanDerWaalsContact O-CG2 3.3Å; I2424-T2428 WeakPolarHBondContact O-CG2 3.33Å; I2424-T2428 PolarHBondContact O-N 3Å; I2424-T2428 VanDerWaalsContact O-N 3.13Å; I2424-T2428 PolarHBondContact O-OG1 3.1Å; L2425-T2428 WeakPolarHBondContact CA-OG1 3.07Å; L2425-T2428 PolarHBondContact O-N 3.39Å; L2425-T2428 VanDerWaalsContact O-N 3.12Å; L2425-T2428 PolarHBondContact O-OG1 2.92Å; L2426-T2428 PolarHBondContact O-N 3.04Å; T2428-L2432 WeakPolarHBondContact O-CD1 3.36Å; T2428-L2432 PolarHBondContact O-N 3.13Å
2429	T	29.8	Very low	30.8	Very low	60.25 Å²	60.25	109.9 Å²	109.9	37%	0.37	55%	0.548	S	S	.	.	H	α-helix	trans	-83.3	-26.8	178	47.4	0	0	0	0	113.9	F2386 Y2397 I2399 L2425 L2426 N2431 L2432	F2386-T2429 HydrophobicContact CD1-CG2 4.31Å; Y2397-T2429 HydrophobicContact CE1-CG2 4.31Å; I2399-T2429 HydrophobicContact CD1-CG2 4.05Å; L2425-T2429 HydrophobicContact CD2-CG2 4.5Å; L2425-T2429 WeakPolarHBondContact O-CB 3.24Å; L2425-T2429 VanDerWaalsContact O-CG2 3.3Å; L2425-T2429 WeakPolarHBondContact O-CG2 3.33Å; L2425-T2429 PolarHBondContact O-N 3.18Å; L2425-T2429 VanDerWaalsContact O-N 3.17Å; L2425-T2429 PolarHBondContact O-OG1 3.27Å; L2426-T2429 WeakPolarHBondContact CA-OG1 3.46Å; L2426-T2429 PolarHBondContact O-N 3.32Å; L2426-T2429 PolarHBondContact O-OG1 3.27Å; T2429-N2431 PolarHBondContact O-N 2.84Å; T2429-L2432 PolarHBondContact O-N 3.01Å
2430	D	28.4	Very low	30.3	Very low	104 Å²	104	110.9 Å²	110.9	56%	0.556	56%	0.555	S	S	*	*	H	α-helix	trans	-81.3	-18.4	-177.3	-74.1	-17.8	0	0	0	114.3	K2346 L2426 L2432 N2433 H2434	K2346-D2430 IonicContact NZ-OD1 2.88Å; K2346-D2430 PolarHBondContact NZ-OD1 2.9Å; K2346-D2430 IonicContact NZ-OD2 2.74Å; K2346-D2430 PolarHBondContact NZ-OD2 3.02Å; L2426-D2430 PolarHBondContact O-N 3.05Å; L2426-D2430 VanDerWaalsContact O-N 3.16Å; D2430-L2432 VanDerWaalsContact C-N 3.33Å; D2430-L2432 PolarHBondContact O-N 2.88Å; D2430-N2433 PolarHBondContact O-N 2.74Å; D2430-H2434 PolarHBondContact O-CD2 3.19Å; D2430-H2434 VanDerWaalsContact O-CD2 3.26Å; D2430-H2434 PolarHBondContact O-N 2.92Å
2431	N	27.8	Very low	29.8	Very low	116.5 Å²	116.5	113.5 Å²	113.5	62%	0.623	57%	0.569	S	S	*	*	H	α-helix	trans	-96.9	-5.5	-174.5	-90.8	-32.4	0	0	0	115.5	H2427 T2429 N2433	H2427-N2431 PolarHBondContact O-ND2 2.84Å; T2429-N2431 PolarHBondContact O-N 2.84Å; N2431-N2433 PolarHBondContact O-ND2 3.23Å
2432	L	26.8	Very low	29.2	Very low	123 Å²	123	117.2 Å²	117.2	64%	0.644	59%	0.59	S	S	*	*	S	Bend	trans	-97.1	0.8	-178.7	-82.1	166	0	0	0	115	T2428 T2429 D2430 Q2480	T2428-L2432 WeakPolarHBondContact O-CD1 3.36Å; T2428-L2432 PolarHBondContact O-N 3.13Å; T2429-L2432 PolarHBondContact O-N 3.01Å; D2430-L2432 VanDerWaalsContact C-N 3.33Å; D2430-L2432 PolarHBondContact O-N 2.88Å; L2432-Q2480 HydrophobicContact CD2-CB 3.44Å; L2432-Q2480 VanDerWaalsContact CD2-CB 3.44Å
2433	N	28.6	Very low	28.5	Very low	111 Å²	111	122.4 Å²	122.4	59%	0.594	62%	0.617	S	S	*	*	S	Bend	trans	-89.8	36.5	162.3	-78.3	-40.6	0	0	0	114.6	N2319 D2430 N2431 Q2435 K2436	N2319-N2433 PolarHBondContact ND2-ND2 2.86Å; D2430-N2433 PolarHBondContact O-N 2.74Å; N2431-N2433 PolarHBondContact O-ND2 3.23Å; N2433-Q2435 VanDerWaalsContact C-N 3.32Å; N2433-Q2435 PolarHBondContact O-N 3.45Å; N2433-K2436 PolarHBondContact O-N 3.04Å
2434	H	27.4	Very low	27.9	Very low	145 Å²	145	125.4 Å²	125.4	67%	0.671	63%	0.634	S	S	*	*			trans	-118.3	59.5	160	-82	-54.8	0	0	0	116.1	N2279 D2430	N2279-H2434 VanDerWaalsContact CB-CE1 3.42Å; N2279-H2434 WeakPolarHBondContact CB-CE1 3.47Å; N2279-H2434 PolarHBondContact ND2-CE1 2.91Å; N2279-H2434 PolarHBondContact ND2-NE2 3.41Å; N2279-H2434 VanDerWaalsContact ND2-NE2 3.16Å; D2430-H2434 PolarHBondContact O-CD2 3.19Å; D2430-H2434 VanDerWaalsContact O-CD2 3.26Å; D2430-H2434 PolarHBondContact O-N 2.92Å
2435	Q	25.8	Very low	27.3	Very low	173.5 Å²	173.5	129.1 Å²	129.1	81%	0.811	65%	0.649	S	S	*	*			trans	-141.5	63.2	164.2	-74.7	-165.4	9.2	0	0	115.1	N2433	N2433-Q2435 VanDerWaalsContact C-N 3.32Å; N2433-Q2435 PolarHBondContact O-N 3.45Å
2436	K	26.2	Very low	26.8	Very low	182 Å²	182	132.2 Å²	132.2	79%	0.791	67%	0.672	S	S	*	*			trans	-140.1	99.4	159	-98.7	179.1	-179.4	176.5	0	111.7	N2433	N2433-K2436 PolarHBondContact O-N 3.04Å
2437	Q	26.8	Very low	26.3	Very low	169.5 Å²	169.5	133.4 Å²	133.4	79%	0.792	69%	0.687	S	S	*	*	S	Bend	trans	126.3	100.9	158.4	-70.5	173.7	-16.3	0	0	115.9
2438	N	24.9	Very low	25.9	Very low	137.75 Å²	137.75	134.6 Å²	134.6	74%	0.737	70%	0.696	S	S	*	*			trans	155.3	94.8	154.5	-77.3	-12.5	0	0	0	114.9	Q2440	N2438-Q2440 PolarHBondContact O-N 3.14Å
2439	I	23.9	Very low	25.5	Very low	149.25 Å²	149.25	137.7 Å²	137.7	77%	0.765	71%	0.709	S	S	*	*				51.5	113.9	114.6	-63.8	161.5	0	0	0	112.7
2440	Q	23.7	Very low	25.2	Very low	167.25 Å²	167.25	141.3 Å²	141.3	78%	0.782	73%	0.725	S	S	*	*			trans	132.5	114.6	150.1	-80.4	178.7	-2.7	0	0	113.9	N2438	N2438-Q2440 PolarHBondContact O-N 3.14Å
2441	Q	24.5	Very low	25	Very low	167.25 Å²	167.25	142.8 Å²	142.8	78%	0.782	73%	0.734	S	S	*	*			trans	80.9	117	132.9	-73.9	173.1	-12.1	0	0	116.6
2442	I	24.2	Very low	24.8	Very low	152.5 Å²	152.5	144.1 Å²	144.1	78%	0.782	74%	0.736	S	S	*	*				61.6	117.4	97.6	-58.7	173.8	0	0	0	113.2
2443	I	23.3	Very low	24.7	Very low	143.75 Å²	143.75	144.5 Å²	144.5	74%	0.737	74%	0.739	S	S	*	*				-133.1	149	57.2	-44.3	165.8	0	0	0	111
2444	T	24.7	Very low	24.4	Very low	117.25 Å²	117.25	143.4 Å²	143.4	72%	0.719	74%	0.74	S	S	*	*			trans	134.2	122.1	145.5	46.8	0	0	0	0	114.3
2445	Q	23.6	Very low	24.2	Very low	160.75 Å²	160.75	140.3 Å²	140.3	75%	0.751	73%	0.734	S	S	*	*			cis	134.3	130.4	48.7	-100.5	-179.3	-13.7	0	0	113.3
2446	P	23.7	Very low	24.2	Very low	116.25 Å²	116.25	135.1 Å²	135.1	76%	0.755	71%	0.711	S	S	*	*			trans	-98	154.5	-170.4	37.1	-28.6	0	0	0	112
2447	S	24.2	Very low	24.1	Very low	96.5 Å²	96.5	130.7 Å²	130.7	68%	0.675	70%	0.696	S	S	*	*			trans	-155.5	93.9	165.1	47.9	0	0	0	0	110.3
2448	L	23.8	Very low	24.1	Very low	156.75 Å²	156.75	127.3 Å²	127.3	82%	0.821	68%	0.68	S	S	*	*				66.8	114.9	69.3	-89.8	164.2	0	0	0	111.8
2449	I	23.5	Very low	24.1	Very low	140.75 Å²	140.75	125.9 Å²	125.9	72%	0.722	67%	0.671	S	S	*	*			trans	139.1	119.6	142.2	-62.3	165.1	0	0	0	111.7
2450	N	23.6	Very low	24.2	Very low	135.75 Å²	135.75	124.2 Å²	124.2	73%	0.726	66%	0.663	S	S	*	*			trans	174.8	103.8	140.8	-88.4	-7.7	0	0	0	110.1
2451	N	24.1	Very low	24.2	Very low	135.5 Å²	135.5	120.8 Å²	120.8	73%	0.725	65%	0.653	S	S	*	*				79.3	114.3	100.9	-85.8	-0.4	0	0	0	110.9
2452	E	23.3	Very low	24.3	Very low	145.75 Å²	145.75	115.3 Å²	115.3	68%	0.681	63%	0.633	S	S	*	*				-143.6	134.4	107.3	-70.4	167.7	179.6	0	0	112.7	L2530	E2452-L2530 VanDerWaalsContact OE2-CD1 3.28Å; E2452-L2530 WeakPolarHBondContact OE2-CD1 3.29Å
2453	N	24.4	Very low	24.3	Very low	130.25 Å²	130.25	112.3 Å²	112.3	70%	0.697	62%	0.623	S	S	*	*			trans	92.7	93.3	153.3	-65.2	-27.4	0	0	0	116.4	S2455 Y2475	N2453-S2455 PolarHBondContact O-N 3.06Å; N2453-Y2475 VanDerWaalsContact OD1-CE1 3.28Å; N2453-Y2475 WeakPolarHBondContact OD1-CE1 3.45Å; N2453-Y2475 VanDerWaalsContact OD1-CZ 3.26Å; N2453-Y2475 PolarHBondContact OD1-OH 2.85Å
2454	S	23.6	Very low	24.3	Very low	88 Å²	88	111.4 Å²	111.4	62%	0.615	62%	0.62	S	S	*	*			trans	-86.2	90.5	164.8	51.5	0	0	0	0	112.8	K2420 I2456	K2420-S2454 VanDerWaalsContact NZ-CA 3.27Å; S2454-I2456 PolarHBondContact O-N 2.83Å
2455	S	23.4	Very low	24.3	Very low	79.25 Å²	79.25	114.7 Å²	114.7	55%	0.554	62%	0.621	S	S	*	*			trans	-97.1	132.1	159.6	60.2	0	0	0	0	110.5	N2453 D2457	N2453-S2455 PolarHBondContact O-N 3.06Å; S2455-D2457 WeakPolarHBondContact CB-OD1 3.35Å; S2455-D2457 PolarHBondContact OG-OD1 2.99Å
2456	I	25.1	Very low	24.3	Very low	64.25 Å²	64.25	113.3 Å²	113.3	33%	0.329	62%	0.617	S	S	.	*			trans	-110.8	100.7	166.1	-57.8	178	0	0	0	106.2	F2404 L2426 S2454 F2458 F2472 L2474 D2502 F2505	F2404-I2456 HydrophobicContact CD2-CG2 3.96Å; L2426-I2456 HydrophobicContact CD1-CD1 4.02Å; S2454-I2456 PolarHBondContact O-N 2.83Å; I2456-F2458 VanDerWaalsContact C-N 3.31Å; I2456-F2458 HydrophobicContact CB-CD2 4.35Å; I2456-F2458 HydrophobicContact CB-CE2 4.24Å; I2456-F2458 HydrophobicContact CG2-CD2 4.04Å; I2456-F2458 HydrophobicContact CG2-CE1 4.31Å; I2456-F2458 HydrophobicContact CG2-CE2 3.6Å; I2456-F2458 HydrophobicContact CG2-CZ 3.98Å; I2456-F2458 VanDerWaalsContact O-CD2 3.28Å; I2456-F2458 WeakPolarHBondContact O-CD2 3.46Å; I2456-F2458 PolarHBondContact O-N 2.92Å; I2456-F2472 PolarHBondContact N-O 3.24Å; I2456-F2472 PolarHBondContact O-N 2.86Å; I2456-L2474 HydrophobicContact CD1-CD1 3.76Å; I2456-L2474 HydrophobicContact CG1-CD1 4.28Å; I2456-D2502 PolarHBondContact N-OD1 2.77Å; I2456-F2505 HydrophobicContact CD1-CD2 4.12Å
2457	D	24.4	Very low	24.2	Very low	89.75 Å²	89.75	114.7 Å²	114.7	48%	0.48	62%	0.618	S	S	.	*			trans	-78.9	113.2	174.6	-55.9	-31.9	0	0	0	110	R1914 S2455 I2459 F2470 Q2471	R1914-D2457 VanDerWaalsContact CG-OD2 3.26Å; R1914-D2457 WeakPolarHBondContact CG-OD2 3.37Å; R1914-D2457 IonicContact CZ-OD2 2.71Å; R1914-D2457 IonicContact NE-OD2 2.64Å; R1914-D2457 PolarHBondContact NE-OD2 3.04Å; R1914-D2457 VanDerWaalsContact NE-OD2 3.13Å; R1914-D2457 PolarHBondContact NH1-O 2.74Å; R1914-D2457 IonicContact NH1-OD2 3.75Å; R1914-D2457 PolarHBondContact NH1-OD2 3.22Å; R1914-D2457 PolarHBondContact NH2-O 2.68Å; R1914-D2457 IonicContact NH2-OD2 3.5Å; R1914-D2457 PolarHBondContact NH2-OD2 3.44Å; S2455-D2457 WeakPolarHBondContact CB-OD1 3.35Å; S2455-D2457 PolarHBondContact OG-OD1 2.99Å; D2457-I2459 PolarHBondContact O-N 3.17Å; D2457-F2470 CarbonylContact C-O 3.57Å; D2457-F2470 VanDerWaalsContact CA-O 3.26Å; D2457-F2470 WeakPolarHBondContact CA-O 3.36Å; D2457-Q2471 HydrophobicContact CB-CG 4.09Å; D2457-Q2471 WeakPolarHBondContact OD1-CG 3.49Å; D2457-Q2471 PolarHBondContact OD1-NE2 3.41Å
2458	F	25.3	Very low	24.2	Very low	99.75 Å²	99.75	115.2 Å²	115.2	44%	0.438	61%	0.613	S	S	.	*			trans	-88.4	110.5	171	-72.2	-93.1	0	0	0	109.1	F2404 I2406 F2419 I2422 I2456 L2460 F2470 F2472 L2501	F2404-F2458 HydrophobicContact CB-CD1 3.65Å; F2404-F2458 HydrophobicContact CB-CE1 3.64Å; F2404-F2458 AromaticContact CD2-CE1 3.96Å; F2404-F2458 HydrophobicContact CD2-CE1 3.96Å; F2404-F2458 HydrophobicContact CD2-CZ 4.25Å; F2404-F2458 HydrophobicContact CG-CD1 4.34Å; F2404-F2458 AromaticContact CG-CE1 3.82Å; F2404-F2458 HydrophobicContact CG-CE1 3.82Å; I2406-F2458 HydrophobicContact CD1-CD1 4.02Å; F2419-F2458 HydrophobicContact CE1-CE2 4.45Å; F2419-F2458 HydrophobicContact CE1-CZ 4.43Å; I2422-F2458 HydrophobicContact CD1-CE1 3.73Å; I2422-F2458 HydrophobicContact CD1-CZ 4.2Å; I2422-F2458 HydrophobicContact CG2-CZ 4.34Å; I2456-F2458 VanDerWaalsContact C-N 3.31Å; I2456-F2458 HydrophobicContact CB-CD2 4.35Å; I2456-F2458 HydrophobicContact CB-CE2 4.24Å; I2456-F2458 HydrophobicContact CG2-CD2 4.04Å; I2456-F2458 HydrophobicContact CG2-CE1 4.31Å; I2456-F2458 HydrophobicContact CG2-CE2 3.6Å; I2456-F2458 HydrophobicContact CG2-CZ 3.98Å; I2456-F2458 VanDerWaalsContact O-CD2 3.28Å; I2456-F2458 WeakPolarHBondContact O-CD2 3.46Å; I2456-F2458 PolarHBondContact O-N 2.92Å; F2458-L2460 VanDerWaalsContact C-N 3.33Å; F2458-L2460 PolarHBondContact O-N 2.83Å; F2458-F2470 PolarHBondContact N-O 2.82Å; F2458-F2470 PolarHBondContact O-N 3.33Å; F2458-F2470 VanDerWaalsContact O-N 3.13Å; F2458-F2472 AromaticContact CD2-CD2 3.72Å; F2458-F2472 HydrophobicContact CD2-CD2 3.72Å; F2458-F2472 AromaticContact CD2-CE2 3.95Å; F2458-F2472 HydrophobicContact CD2-CE2 3.95Å; F2458-F2472 HydrophobicContact CE2-CD2 4.05Å; F2458-F2472 HydrophobicContact CE2-CE2 4.45Å; F2458-L2501 HydrophobicContact CB-CD1 3.64Å; F2458-L2501 HydrophobicContact CD1-CD1 3.66Å; F2458-L2501 HydrophobicContact CD2-CB 3.22Å; F2458-L2501 HydrophobicContact CD2-CD1 3.2Å; F2458-L2501 HydrophobicContact CD2-CD2 4.23Å; F2458-L2501 HydrophobicContact CD2-CG 3.66Å; F2458-L2501 HydrophobicContact CE1-CD1 4Å; F2458-L2501 HydrophobicContact CE1-CD2 4.41Å; F2458-L2501 HydrophobicContact CE2-CB 3.17Å; F2458-L2501 HydrophobicContact CE2-CD1 3.55Å; F2458-L2501 HydrophobicContact CE2-CD2 3.69Å; F2458-L2501 HydrophobicContact CE2-CG 3.61Å; F2458-L2501 HydrophobicContact CG-CB 4.19Å; F2458-L2501 HydrophobicContact CG-CD1 3.22Å; F2458-L2501 HydrophobicContact CG-CG 4.19Å; F2458-L2501 HydrophobicContact CZ-CB 4.14Å; F2458-L2501 HydrophobicContact CZ-CD1 3.93Å; F2458-L2501 HydrophobicContact CZ-CD2 3.78Å; F2458-L2501 HydrophobicContact CZ-CG 4.15Å
2459	I	25.5	Very low	24.1	Very low	107.5 Å²	107.5	114.1 Å²	114.1	55%	0.551	61%	0.608	S	S	*	*			trans	-96.9	105.6	170.6	-57.2	179.2	0	0	0	107.4	F2350 L2403 F2404 I2406 D2457 V2461	F2350-I2459 HydrophobicContact CZ-CD1 3.93Å; L2403-I2459 HydrophobicContact CD1-CD1 4.21Å; F2404-I2459 PolarHBondContact O-N 3.13Å; F2404-I2459 VanDerWaalsContact O-N 3.14Å; I2406-I2459 PolarHBondContact N-O 3.02Å; D2457-I2459 PolarHBondContact O-N 3.17Å; I2459-V2461 HydrophobicContact CG2-CG2 3.97Å; I2459-V2461 PolarHBondContact O-N 2.92Å
2460	L	25.8	Very low	24.1	Very low	113.5 Å²	113.5	114.1 Å²	114.1	59%	0.594	60%	0.603	S	S	*	*			trans	-99.8	104.3	-178.3	-155	153.7	0	0	0	108.8	I2406 I2408 F2458 S2462	I2406-L2460 WeakPolarHBondContact O-CA 3.43Å; I2408-L2460 HydrophobicContact CD1-CD1 4.3Å; I2408-L2460 HydrophobicContact CD1-CD2 4.26Å; I2408-L2460 HydrophobicContact CD1-CG 4.34Å; F2458-L2460 VanDerWaalsContact C-N 3.33Å; F2458-L2460 PolarHBondContact O-N 2.83Å; L2460-S2462 PolarHBondContact O-N 2.83Å
2461	V	24.9	Very low	24	Very low	96.25 Å²	96.25	115.8 Å²	115.8	58%	0.583	61%	0.606	S	S	*	*			trans	-105.3	101.1	177.9	-174	0	0	0	0	108.7	I2405 I2406 S2407 I2408 I2459	I2405-V2461 HydrophobicContact CG2-CG2 4.47Å; I2406-V2461 PolarHBondContact O-N 2.99Å; S2407-V2461 WeakPolarHBondContact CA-O 3.49Å; I2408-V2461 PolarHBondContact N-O 2.86Å; I2459-V2461 HydrophobicContact CG2-CG2 3.97Å; I2459-V2461 PolarHBondContact O-N 2.92Å
2462	S	26.1	Very low	24	Very low	51.25 Å²	51.25	116.6 Å²	116.6	36%	0.358	60%	0.604	S	S	.	*			trans	-111.6	130.5	169.8	123.2	0	0	0	0	109.8	L2460 N2464	L2460-S2462 PolarHBondContact O-N 2.83Å; S2462-N2464 VanDerWaalsContact C-N 3.28Å; S2462-N2464 PolarHBondContact O-N 3.03Å; S2462-N2464 PolarHBondContact OG-N 2.89Å; S2462-N2464 PolarHBondContact OG-O 3.28Å
2463	P	24	Very low	23.9	Very low	88.5 Å²	88.5	117.3 Å²	117.3	58%	0.575	61%	0.607	S	S	*	*	S	Bend	trans	-74.6	59.7	173.8	19.1	-16.9	0	0	0	111.8	I2399 I2408 D2409	I2399-P2463 HydrophobicContact CD1-CG 4.46Å; I2399-P2463 HydrophobicContact CG1-CG 4.39Å; I2399-P2463 HydrophobicContact CG2-CG 3.86Å; I2408-P2463 VanDerWaalsContact O-CD 3.25Å; I2408-P2463 WeakPolarHBondContact O-CD 3.41Å; D2409-P2463 WeakPolarHBondContact OD1-CG 3.48Å
2464	N	23.9	Very low	23.9	Very low	126.5 Å²	126.5	117.2 Å²	117.2	68%	0.676	61%	0.605	S	S	*	*	S	Bend	trans	150.7	147.2	-177.8	-58.6	-52.8	0	0	0	113.9	S2462 I2466	S2462-N2464 VanDerWaalsContact C-N 3.28Å; S2462-N2464 PolarHBondContact O-N 3.03Å; S2462-N2464 PolarHBondContact OG-N 2.89Å; S2462-N2464 PolarHBondContact OG-O 3.28Å; N2464-I2466 PolarHBondContact O-N 3.04Å
2465	Y	23.6	Very low	23.9	Very low	186.5 Å²	186.5	122.1 Å²	122.1	73%	0.731	61%	0.612	S	S	*	*			trans	-100.1	135.8	178.2	-60.9	-77.2	0	0	0	111.8	S2492 N2494 L2495	Y2465-S2492 WeakPolarHBondContact CE1-OG 3.34Å; Y2465-S2492 PolarHBondContact OH-OG 3.31Å; Y2465-N2494 PolarHBondContact OH-O 3.42Å; Y2465-L2495 HydrophobicContact CD2-CD1 3.83Å; Y2465-L2495 HydrophobicContact CE2-CB 3.89Å; Y2465-L2495 HydrophobicContact CE2-CD1 3.59Å; Y2465-L2495 HydrophobicContact CE2-CG 4.2Å
2466	I	24.4	Very low	23.9	Very low	130.25 Å²	130.25	124.2 Å²	124.2	67%	0.668	62%	0.617	S	S	*	*			trans	-117.5	125.1	173.5	-60.6	173.6	0	0	0	109.1	N2464 L2468	N2464-I2466 PolarHBondContact O-N 3.04Å; I2466-L2468 HydrophobicContact CG2-CD2 4.25Å; I2466-L2468 HydrophobicContact CG2-CG 4.17Å; I2466-L2468 PolarHBondContact O-N 3.19Å; I2466-L2468 VanDerWaalsContact O-N 3.15Å
2467	D	22.4	Very low	23.8	Very low	145.5 Å²	145.5	127.3 Å²	127.3	78%	0.778	63%	0.634	S	S	*	*			trans	-64.9	121.9	172.6	-75.2	-38.8	0	0	0	111.2
2468	L	24.1	Very low	23.7	Very low	108 Å²	108	128.9 Å²	128.9	57%	0.565	64%	0.641	S	S	*	*			trans	-116.7	113.2	170.1	-84.1	173.6	0	0	0	110.5	L2412 I2466 F2470	L2412-L2468 HydrophobicContact CD1-CD2 3.96Å; I2466-L2468 HydrophobicContact CG2-CD2 4.25Å; I2466-L2468 HydrophobicContact CG2-CG 4.17Å; I2466-L2468 PolarHBondContact O-N 3.19Å; I2466-L2468 VanDerWaalsContact O-N 3.15Å; L2468-F2470 HydrophobicContact CB-CD2 4.35Å; L2468-F2470 HydrophobicContact CB-CE2 4.03Å; L2468-F2470 HydrophobicContact CB-CZ 4.34Å; L2468-F2470 HydrophobicContact CD1-CE2 4.4Å; L2468-F2470 HydrophobicContact CD1-CZ 4.49Å; L2468-F2470 PolarHBondContact O-N 2.87Å
2469	N	21.6	Very low	23.6	Very low	132.75 Å²	132.75	128.6 Å²	128.6	71%	0.71	65%	0.648	S	S	*	*			trans	-86.9	120.6	172.8	-84.1	-42.2	0	0	0	110.9	N1912	N1912-N2469 PolarHBondContact ND2-ND2 2.79Å; N1912-N2469 PolarHBondContact OD1-ND2 2.83Å; N1912-N2469 VanDerWaalsContact OD1-ND2 3.15Å
2470	F	22.9	Very low	23.5	Very low	142.25 Å²	142.25	130.8 Å²	130.8	62%	0.624	66%	0.656	S	S	*	*			trans	-98.1	118.9	165.5	-73.2	-86.4	0	0	0	109.9	D2457 F2458 L2468 F2472	D2457-F2470 CarbonylContact C-O 3.57Å; D2457-F2470 VanDerWaalsContact CA-O 3.26Å; D2457-F2470 WeakPolarHBondContact CA-O 3.36Å; F2458-F2470 PolarHBondContact N-O 2.82Å; F2458-F2470 PolarHBondContact O-N 3.33Å; F2458-F2470 VanDerWaalsContact O-N 3.13Å; L2468-F2470 HydrophobicContact CB-CD2 4.35Å; L2468-F2470 HydrophobicContact CB-CE2 4.03Å; L2468-F2470 HydrophobicContact CB-CZ 4.34Å; L2468-F2470 HydrophobicContact CD1-CE2 4.4Å; L2468-F2470 HydrophobicContact CD1-CZ 4.49Å; L2468-F2470 PolarHBondContact O-N 2.87Å; F2470-F2472 HydrophobicContact CB-CD2 4.23Å; F2470-F2472 HydrophobicContact CB-CE2 3.89Å; F2470-F2472 HydrophobicContact CB-CZ 4.33Å; F2470-F2472 HydrophobicContact CD1-CD2 4.49Å; F2470-F2472 AromaticContact CD1-CE2 3.53Å; F2470-F2472 HydrophobicContact CD1-CE2 3.92Å; F2470-F2472 AromaticContact CD1-CZ 3.84Å; F2470-F2472 HydrophobicContact CD1-CZ 4.13Å; F2470-F2472 HydrophobicContact CE1-CE2 4.35Å; F2470-F2472 HydrophobicContact CE1-CZ 4.32Å; F2470-F2472 HydrophobicContact CG-CE2 4.01Å
2471	Q	21.6	Very low	23.3	Very low	170.5 Å²	170.5	130.3 Å²	130.3	80%	0.797	66%	0.658	S	S	*	*			trans	-103.6	117.1	167.5	-78.7	-173.4	-40.8	0	0	109.8	D2457	D2457-Q2471 HydrophobicContact CB-CG 4.09Å; D2457-Q2471 WeakPolarHBondContact OD1-CG 3.49Å; D2457-Q2471 PolarHBondContact OD1-NE2 3.41Å
2472	F	23.9	Very low	23.2	Very low	152.5 Å²	152.5	135.3 Å²	135.3	67%	0.669	67%	0.667	S	S	*	*			trans	-110.9	125.5	164.5	-68	-82.6	0	0	0	108.9	I2456 F2458 F2470 L2474	I2456-F2472 PolarHBondContact N-O 3.24Å; I2456-F2472 PolarHBondContact O-N 2.86Å; F2458-F2472 AromaticContact CD2-CD2 3.72Å; F2458-F2472 HydrophobicContact CD2-CD2 3.72Å; F2458-F2472 AromaticContact CD2-CE2 3.95Å; F2458-F2472 HydrophobicContact CD2-CE2 3.95Å; F2458-F2472 HydrophobicContact CE2-CD2 4.05Å; F2458-F2472 HydrophobicContact CE2-CE2 4.45Å; F2470-F2472 HydrophobicContact CB-CD2 4.23Å; F2470-F2472 HydrophobicContact CB-CE2 3.89Å; F2470-F2472 HydrophobicContact CB-CZ 4.33Å; F2470-F2472 HydrophobicContact CD1-CD2 4.49Å; F2470-F2472 AromaticContact CD1-CE2 3.53Å; F2470-F2472 HydrophobicContact CD1-CE2 3.92Å; F2470-F2472 AromaticContact CD1-CZ 3.84Å; F2470-F2472 HydrophobicContact CD1-CZ 4.13Å; F2470-F2472 HydrophobicContact CE1-CE2 4.35Å; F2470-F2472 HydrophobicContact CE1-CZ 4.32Å; F2470-F2472 HydrophobicContact CG-CE2 4.01Å; F2472-L2474 PolarHBondContact O-N 3.07Å
2473	Q	21.7	Very low	23	Very low	160.25 Å²	160.25	141.7 Å²	141.7	75%	0.749	68%	0.684	S	S	*	*			trans	-100.5	113.1	169.6	-88.6	-179.6	-34.2	0	0	109.5	Y2475	Q2473-Y2475 HydrophobicContact CB-CE2 4.49Å
2474	L	24.1	Very low	22.9	Very low	127.25 Å²	127.25	145.4 Å²	145.4	67%	0.666	69%	0.691	S	S	*	*			trans	-78.1	125.3	159.7	-73.1	163.8	0	0	0	111.2	I2456 F2472 N2476	I2456-L2474 HydrophobicContact CD1-CD1 3.76Å; I2456-L2474 HydrophobicContact CG1-CD1 4.28Å; F2472-L2474 PolarHBondContact O-N 3.07Å; L2474-N2476 PolarHBondContact O-N 3.02Å
2475	Y	23.1	Very low	22.9	Very low	192 Å²	192	145.3 Å²	145.3	75%	0.753	70%	0.695	S	S	*	*			trans	-105.7	123.3	142.7	-96.1	-87.7	0	0	0	109.9	N2453 Q2473 D2477	N2453-Y2475 VanDerWaalsContact OD1-CE1 3.28Å; N2453-Y2475 WeakPolarHBondContact OD1-CE1 3.45Å; N2453-Y2475 VanDerWaalsContact OD1-CZ 3.26Å; N2453-Y2475 PolarHBondContact OD1-OH 2.85Å; Q2473-Y2475 HydrophobicContact CB-CE2 4.49Å; Y2475-D2477 VanDerWaalsContact C-N 3.34Å; Y2475-D2477 PolarHBondContact O-N 2.9Å
2476	N	23.6	Very low	22.7	Very low	123.5 Å²	123.5	141.6 Å²	141.6	66%	0.66	69%	0.692	S	S	*	*			trans	-78.8	124.7	165.4	-87.6	-6.7	0	0	0	113.4	L2474	L2474-N2476 PolarHBondContact O-N 3.02Å
2477	D	22.9	Very low	22.6	Very low	128.25 Å²	128.25	140.9 Å²	140.9	69%	0.686	69%	0.693	S	S	*	*				-122.3	111.9	126.8	-94.3	-13.8	0	0	0	109.4	K2346 Y2475 T2479	K2346-D2477 IonicContact NZ-OD1 2.69Å; K2346-D2477 PolarHBondContact NZ-OD1 3.05Å; K2346-D2477 IonicContact NZ-OD2 3.78Å; K2346-D2477 PolarHBondContact NZ-OD2 3.32Å; Y2475-D2477 VanDerWaalsContact C-N 3.34Å; Y2475-D2477 PolarHBondContact O-N 2.9Å; D2477-T2479 PolarHBondContact O-N 3.44Å
2478	I	23.4	Very low	22.6	Very low	123.5 Å²	123.5	140.7 Å²	140.7	63%	0.633	69%	0.692	S	S	*	*			trans	57.6	97.8	138.8	-58.7	174.3	0	0	0	113.8
2479	T	22.4	Very low	22.5	Very low	93.25 Å²	93.25	142.2 Å²	142.2	57%	0.572	70%	0.7	S	S	*	*			trans	137.4	99.7	137.4	43.3	0	0	0	0	116	D2477	D2477-T2479 PolarHBondContact O-N 3.44Å
2480	Q	23.2	Very low	22.5	Very low	155.5 Å²	155.5	143 Å²	143	73%	0.727	71%	0.705	S	S	*	*			trans	105.6	122.4	135.5	-74.6	-176.8	8.4	0	0	117.7	L2432	L2432-Q2480 HydrophobicContact CD2-CB 3.44Å; L2432-Q2480 VanDerWaalsContact CD2-CB 3.44Å
2481	T	22.3	Very low	22.5	Very low	102.25 Å²	102.25	143.1 Å²	143.1	63%	0.627	71%	0.711	S	S	*	*			trans	123.2	126.2	144.1	46	0	0	0	0	115
2482	Y	22.7	Very low	22.5	Very low	201 Å²	201	139.3 Å²	139.3	79%	0.788	70%	0.703	S	S	*	*				-107.9	148.1	74.4	-95.2	-87.5	0	0	0	113.4
2483	R	21.7	Very low	22.4	Very low	185.25 Å²	185.25	136.5 Å²	136.5	70%	0.699	70%	0.703	S	S	*	*			trans	137.5	132	142.1	-85	169.1	174.8	-166	-9.7	114.4
2484	F	22.1	Very low	22.4	Very low	166.75 Å²	166.75	135.6 Å²	135.6	73%	0.731	70%	0.703	S	S	*	*			trans	-110	145	142.3	-105.5	-88.5	0	0	0	109.4	T2486	F2484-T2486 HydrophobicContact CD1-CG2 3.93Å; F2484-T2486 HydrophobicContact CE1-CG2 3.81Å; F2484-T2486 PolarHBondContact O-N 3.04Å
2485	V	22.7	Very low	22.3	Very low	124 Å²	124	136.7 Å²	136.7	75%	0.752	71%	0.708	S	S	*	*			trans	-90.8	104	168	179.3	0	0	0	0	108.8	T2487	V2485-T2487 HydrophobicContact CG1-CG2 4.19Å; V2485-T2487 PolarHBondContact O-N 3.1Å
2486	T	20.7	Very low	22.2	Very low	109.75 Å²	109.75	134.9 Å²	134.9	67%	0.673	71%	0.711	S	S	*	*			trans	-74.6	104.2	142.5	49	0	0	0	0	110.7	F2484 N2488	F2484-T2486 HydrophobicContact CD1-CG2 3.93Å; F2484-T2486 HydrophobicContact CE1-CG2 3.81Å; F2484-T2486 PolarHBondContact O-N 3.04Å; T2486-N2488 PolarHBondContact O-N 3.4Å
2487	T	22.4	Very low	22.1	Very low	114.5 Å²	114.5	139.4 Å²	139.4	70%	0.702	72%	0.72	S	S	*	*			trans	-102.7	105.3	156.7	46.1	0	0	0	0	108.5	V2485 L2489	V2485-T2487 HydrophobicContact CG1-CG2 4.19Å; V2485-T2487 PolarHBondContact O-N 3.1Å; T2487-L2489 VanDerWaalsContact C-N 3.32Å; T2487-L2489 PolarHBondContact O-N 3.31Å
2488	N	21.4	Very low	22.1	Very low	141.75 Å²	141.75	140.5 Å²	140.5	76%	0.758	73%	0.725	S	S	*	*			trans	-63.7	98.1	144.4	-87.1	-5.5	0	0	0	109.1	T2486 N2490	T2486-N2488 PolarHBondContact O-N 3.4Å; N2488-N2490 PolarHBondContact O-N 2.95Å
2489	L	22.3	Very low	22.1	Very low	139.25 Å²	139.25	139.7 Å²	139.7	73%	0.729	73%	0.727	S	S	*	*			trans	-100	97.4	154.7	-84	162.4	0	0	0	108.6	T2487 L2491	T2487-L2489 VanDerWaalsContact C-N 3.32Å; T2487-L2489 PolarHBondContact O-N 3.31Å; L2489-L2491 VanDerWaalsContact C-N 3.3Å; L2489-L2491 HydrophobicContact CB-CD1 4.1Å; L2489-L2491 HydrophobicContact CB-CG 4.24Å; L2489-L2491 HydrophobicContact CD1-CD1 4.33Å; L2489-L2491 HydrophobicContact CD2-CD1 4.26Å; L2489-L2491 HydrophobicContact CD2-CG 4.31Å; L2489-L2491 HydrophobicContact CG-CD1 4.47Å; L2489-L2491 PolarHBondContact O-N 2.86Å
2490	N	21	Very low	22.3	Very low	150.25 Å²	150.25	139.7 Å²	139.7	80%	0.803	73%	0.731	S	S	*	*			trans	-73.9	110.8	154	-89.7	-11.5	0	0	0	107.9	N2488	N2488-N2490 PolarHBondContact O-N 2.95Å
2491	L	23	Very low	22.3	Very low	144.75 Å²	144.75	138.5 Å²	138.5	76%	0.758	73%	0.729	S	S	*	*			trans	-113.5	105	166.8	-77.9	154	0	0	0	109.2	L2489 S2493	L2489-L2491 VanDerWaalsContact C-N 3.3Å; L2489-L2491 HydrophobicContact CB-CD1 4.1Å; L2489-L2491 HydrophobicContact CB-CG 4.24Å; L2489-L2491 HydrophobicContact CD1-CD1 4.33Å; L2489-L2491 HydrophobicContact CD2-CD1 4.26Å; L2489-L2491 HydrophobicContact CD2-CG 4.31Å; L2489-L2491 HydrophobicContact CG-CD1 4.47Å; L2489-L2491 PolarHBondContact O-N 2.86Å; L2491-S2493 PolarHBondContact O-N 2.91Å
2492	S	21.6	Very low	22.3	Very low	90 Å²	90	139.4 Å²	139.4	63%	0.629	73%	0.73	S	S	*	*			trans	-44.9	127.9	148.3	50.2	0	0	0	0	111.6	Y2465 N2494	Y2465-S2492 WeakPolarHBondContact CE1-OG 3.34Å; Y2465-S2492 PolarHBondContact OH-OG 3.31Å; S2492-N2494 VanDerWaalsContact C-N 3.34Å
2493	S	21.8	Very low	22.4	Very low	94.5 Å²	94.5	139 Å²	139	66%	0.661	73%	0.733	S	S	*	*	S	Bend	trans	7.5	102.3	154.4	60.2	0	0	0	0	117.2	L2491	L2491-S2493 PolarHBondContact O-N 2.91Å
2494	N	21.2	Very low	22.4	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	74%	0.738	S	S	*	*			trans	109.5	120.6	151.1	-65.4	-16	0	0	0	112.3	Y2465 S2492	Y2465-N2494 PolarHBondContact OH-O 3.42Å; S2492-N2494 VanDerWaalsContact C-N 3.34Å
2495	L	22.9	Very low	22.6	Very low	148.75 Å²	148.75	138.2 Å²	138.2	78%	0.779	74%	0.741	S	S	*	*			trans	134.7	121.8	152.8	-81.2	139.5	0	0	0	114.3	Y2465 Y2497	Y2465-L2495 HydrophobicContact CD2-CD1 3.83Å; Y2465-L2495 HydrophobicContact CE2-CB 3.89Å; Y2465-L2495 HydrophobicContact CE2-CD1 3.59Å; Y2465-L2495 HydrophobicContact CE2-CG 4.2Å; L2495-Y2497 PolarHBondContact O-N 2.79Å
2496	L	21.3	Very low	22.5	Very low	154.75 Å²	154.75	136 Å²	136	81%	0.81	73%	0.732	S	S	*	*			trans	5.5	121.4	140.6	-76.1	148.9	0	0	0	113.7
2497	Y	21.3	Very low	22.7	Very low	218.25 Å²	218.25	138.5 Å²	138.5	86%	0.856	74%	0.737	S	S	*	*			trans	70.2	132.1	144.8	-109.3	-97.8	0	0	0	116.7	L2495 P2499	L2495-Y2497 PolarHBondContact O-N 2.79Å; Y2497-P2499 WeakPolarHBondContact O-CD 3.4Å
2498	I	22.9	Very low	22.7	Very low	152.5 Å²	152.5	141.1 Å²	141.1	78%	0.782	74%	0.739	S	S	*	*			trans	-156.8	145.6	159.3	-61.9	171.7	0	0	0	108.9
2499	P	23.6	Very low	22.8	Very low	104.75 Å²	104.75	142 Å²	142	68%	0.68	74%	0.738	S	S	*	*			trans	-99.3	157.6	-167.2	33.2	-23.8	0	0	0	114.5	Y2497	Y2497-P2499 WeakPolarHBondContact O-CD 3.4Å
2500	S	25.5	Very low	22.8	Very low	93.25 Å²	93.25	141.5 Å²	141.5	65%	0.652	74%	0.737	S	S	*	*			trans	-0.4	131.3	159.8	59.2	0	0	0	0	117.3	D2502	S2500-D2502 VanDerWaalsContact CB-OD2 3.3Å; S2500-D2502 WeakPolarHBondContact CB-OD2 3.33Å; S2500-D2502 PolarHBondContact O-N 2.88Å; S2500-D2502 PolarHBondContact OG-OD2 3.5Å
2501	L	23.4	Very low	23	Very low	130.25 Å²	130.25	141.7 Å²	141.7	68%	0.682	74%	0.736	S	S	*	*	S	Bend	trans	-85.3	80.7	158.3	-104.2	148.5	0	0	0	116.2	F2458 F2503 H2522	F2458-L2501 HydrophobicContact CB-CD1 3.64Å; F2458-L2501 HydrophobicContact CD1-CD1 3.66Å; F2458-L2501 HydrophobicContact CD2-CB 3.22Å; F2458-L2501 HydrophobicContact CD2-CD1 3.2Å; F2458-L2501 HydrophobicContact CD2-CD2 4.23Å; F2458-L2501 HydrophobicContact CD2-CG 3.66Å; F2458-L2501 HydrophobicContact CE1-CD1 4Å; F2458-L2501 HydrophobicContact CE1-CD2 4.41Å; F2458-L2501 HydrophobicContact CE2-CB 3.17Å; F2458-L2501 HydrophobicContact CE2-CD1 3.55Å; F2458-L2501 HydrophobicContact CE2-CD2 3.69Å; F2458-L2501 HydrophobicContact CE2-CG 3.61Å; F2458-L2501 HydrophobicContact CG-CB 4.19Å; F2458-L2501 HydrophobicContact CG-CD1 3.22Å; F2458-L2501 HydrophobicContact CG-CG 4.19Å; F2458-L2501 HydrophobicContact CZ-CB 4.14Å; F2458-L2501 HydrophobicContact CZ-CD1 3.93Å; F2458-L2501 HydrophobicContact CZ-CD2 3.78Å; F2458-L2501 HydrophobicContact CZ-CG 4.15Å; L2501-F2503 VanDerWaalsContact C-N 3.26Å; L2501-F2503 PolarHBondContact O-N 3.12Å; L2501-H2522 WeakPolarHBondContact CD2-CE1 3.21Å
2502	D	23.4	Very low	22.9	Very low	122.5 Å²	122.5	141.1 Å²	141.1	66%	0.655	74%	0.738	S	S	*	*			trans	-58.9	18.8	161.6	-74.3	-38.2	0	0	0	115.5	I2456 S2500 L2504	I2456-D2502 PolarHBondContact N-OD1 2.77Å; S2500-D2502 VanDerWaalsContact CB-OD2 3.3Å; S2500-D2502 WeakPolarHBondContact CB-OD2 3.33Å; S2500-D2502 PolarHBondContact O-N 2.88Å; S2500-D2502 PolarHBondContact OG-OD2 3.5Å; D2502-L2504 PolarHBondContact O-N 3.12Å
2503	F	23.4	Very low	23	Very low	191.75 Å²	191.75	141.5 Å²	141.5	84%	0.841	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	26.5	-174.3	-129.7	-94.9	0	0	0	116.7	L2501	L2501-F2503 VanDerWaalsContact C-N 3.26Å; L2501-F2503 PolarHBondContact O-N 3.12Å
2504	L	23.6	Very low	23	Very low	155.5 Å²	155.5	146.6 Å²	146.6	81%	0.814	75%	0.751	S	S	*	*			trans	-120.4	63.6	172	-107.4	162.1	0	0	0	112.4	D2502 S2506	D2502-L2504 PolarHBondContact O-N 3.12Å; L2504-S2506 PolarHBondContact O-N 2.99Å
2505	F	24.3	Very low	23	Very low	179.25 Å²	179.25	151 Å²	151	79%	0.786	76%	0.757	S	S	*	*			trans	-108.5	61.2	170.7	-89	-73.1	0	0	0	113.6	I2424 I2456 M2507	I2424-F2505 HydrophobicContact CB-CE1 4.43Å; I2424-F2505 HydrophobicContact CD1-CD1 3.59Å; I2424-F2505 HydrophobicContact CD1-CE1 3.15Å; I2424-F2505 HydrophobicContact CD1-CE2 4.47Å; I2424-F2505 HydrophobicContact CD1-CG 4.44Å; I2424-F2505 HydrophobicContact CD1-CZ 3.65Å; I2424-F2505 HydrophobicContact CG1-CD1 4.3Å; I2424-F2505 HydrophobicContact CG1-CE1 3.78Å; I2424-F2505 HydrophobicContact CG2-CE1 3.86Å; I2424-F2505 HydrophobicContact CG2-CZ 4.27Å; I2456-F2505 HydrophobicContact CD1-CD2 4.12Å; F2505-M2507 VanDerWaalsContact C-N 3.28Å; F2505-M2507 PolarHBondContact O-N 3.32Å
2506	S	22.6	Very low	23	Very low	79.75 Å²	79.75	151.5 Å²	151.5	56%	0.558	76%	0.76	S	S	*	*			trans	-101.1	78.5	163.6	56.7	0	0	0	0	113.8	L2504	L2504-S2506 PolarHBondContact O-N 2.99Å
2507	M	23.6	Very low	23	Very low	161.75 Å²	161.75	148.3 Å²	148.3	80%	0.797	76%	0.755	S	S	*	*			trans	-143.3	109.6	155.8	-87.9	-63.1	-168.6	0	0	109.6	L1611 F2505	L1611-M2507 HydrophobicContact CD2-CE 4.46Å; L1611-M2507 HydrophobicContact CD2-SD 3.87Å; F2505-M2507 VanDerWaalsContact C-N 3.28Å; F2505-M2507 PolarHBondContact O-N 3.32Å
2508	K	22.2	Very low	23.1	Very low	168.75 Å²	168.75	144.2 Å²	144.2	73%	0.734	75%	0.753	S	S	*	*			trans	-99.6	141.5	165	-73	173.7	177.6	175.7	0	109.4
2509	H	24.3	Very low	23.1	Very low	161 Å²	161	145.5 Å²	145.5	75%	0.745	75%	0.753	S	S	*	*			trans	-152.8	122.4	134.6	-100	-3.8	0	0	0	110.2	I2511	H2509-I2511 PolarHBondContact O-N 3.21Å
2510	N	22.6	Very low	23	Very low	129.25 Å²	129.25	147 Å²	147	69%	0.691	76%	0.755	S	S	*	*			trans	-81.5	112.1	-177	-68.3	-4.9	0	0	0	112.3	V2512	N2510-V2512 VanDerWaalsContact C-N 3.34Å; N2510-V2512 PolarHBondContact O-N 3.32Å
2511	I	23.7	Very low	23	Very low	154.25 Å²	154.25	147.8 Å²	147.8	79%	0.791	75%	0.752	S	S	*	*			trans	-122.6	119.6	153.4	-77	163.5	0	0	0	109.7	H2509 S2513	H2509-I2511 PolarHBondContact O-N 3.21Å; I2511-S2513 PolarHBondContact O-N 3.32Å
2512	V	22.6	Very low	23.1	Very low	130.5 Å²	130.5	148.6 Å²	148.6	79%	0.791	75%	0.752	S	S	*	*			trans	-58.9	124.6	179.1	179.5	0	0	0	0	113	N2510 K2514	N2510-V2512 VanDerWaalsContact C-N 3.34Å; N2510-V2512 PolarHBondContact O-N 3.32Å; V2512-K2514 PolarHBondContact O-N 3.09Å
2513	S	22.2	Very low	23.1	Very low	99.25 Å²	99.25	151.9 Å²	151.9	69%	0.694	76%	0.756	S	S	*	*			trans	-86.9	112.6	-179.3	38.5	0	0	0	0	113.9	I2511 R2515 L2516	I2511-S2513 PolarHBondContact O-N 3.32Å; S2513-R2515 VanDerWaalsContact C-N 3.29Å; S2513-R2515 PolarHBondContact O-N 3.07Å; S2513-L2516 PolarHBondContact O-N 3.09Å
2514	K	22.5	Very low	23.1	Very low	201.5 Å²	201.5	146 Å²	146	88%	0.876	75%	0.749	S	S	*	*			trans	-106.3	96.6	155.1	-88	178.2	179.9	176.3	0	112.1	V2512 L2516	V2512-K2514 PolarHBondContact O-N 3.09Å; K2514-L2516 PolarHBondContact O-N 2.9Å
2515	R	22	Very low	23.1	Very low	232.5 Å²	232.5	148 Å²	148	88%	0.877	75%	0.747	S	S	*	*			trans	22	93.1	166	-67.2	178.8	171	172.5	-3.5	115.7	S2513 A2517	S2513-R2515 VanDerWaalsContact C-N 3.29Å; S2513-R2515 PolarHBondContact O-N 3.07Å; R2515-A2517 PolarHBondContact O-N 3.35Å; R2515-A2517 VanDerWaalsContact O-N 3.11Å
2516	L	21.8	Very low	23.1	Very low	160.5 Å²	160.5	144.7 Å²	144.7	84%	0.84	74%	0.742	S	S	*	*			trans	-101.5	127.3	153	-114.3	157.7	0	0	0	109.6	S2513 K2514	S2513-L2516 PolarHBondContact O-N 3.09Å; K2514-L2516 PolarHBondContact O-N 2.9Å
2517	A	21.7	Very low	23.1	Very low	86.75 Å²	86.75	150.2 Å²	150.2	72%	0.717	76%	0.756	S	S	*	*			trans	-114.2	131.3	175.2	0	0	0	0	0	109.9	R2515 K2519	R2515-A2517 PolarHBondContact O-N 3.35Å; R2515-A2517 VanDerWaalsContact O-N 3.11Å; A2517-K2519 VanDerWaalsContact C-N 3.33Å; A2517-K2519 PolarHBondContact O-N 3Å
2518	T	23.5	Very low	23.1	Very low	133.25 Å²	133.25	148.9 Å²	148.9	82%	0.817	75%	0.752	S	S	*	*			trans	-103.4	111.7	169.6	46.4	0	0	0	0	111.5	L2520	T2518-L2520 VanDerWaalsContact C-N 3.31Å; T2518-L2520 PolarHBondContact O-N 2.76Å
2519	K	22	Very low	23.1	Very low	178.5 Å²	178.5	148.2 Å²	148.2	78%	0.776	76%	0.756	S	S	*	*			trans	-88.7	129.7	165.5	-116.1	-161.2	163.1	-146.4	0	110.5	A2517 D2521	A2517-K2519 VanDerWaalsContact C-N 3.33Å; A2517-K2519 PolarHBondContact O-N 3Å; K2519-D2521 IonicContact NZ-OD1 3.15Å; K2519-D2521 PolarHBondContact NZ-OD1 3.46Å; K2519-D2521 IonicContact NZ-OD2 2.7Å; K2519-D2521 PolarHBondContact NZ-OD2 3.35Å
2520	L	22.9	Very low	23	Very low	137.5 Å²	137.5	147.5 Å²	147.5	72%	0.72	76%	0.757	S	S	*	*			trans	-124	150.4	158.6	-72	162.1	0	0	0	109.9	T2518 H2522 T2526	T2518-L2520 VanDerWaalsContact C-N 3.31Å; T2518-L2520 PolarHBondContact O-N 2.76Å; L2520-H2522 HydrophobicContact CB-CB 4Å; L2520-H2522 HydrophobicContact CD2-CB 4.12Å; L2520-T2526 HydrophobicContact CD2-CG2 4.07Å
2521	D	25.4	Very low	23	Very low	108.5 Å²	108.5	146.3 Å²	146.3	58%	0.58	76%	0.758	S	S	*	*			trans	-98.9	130.4	152.5	-67.3	-14.2	0	0	0	113.6	K2519 Y2523 G2524 K2527	K2519-D2521 IonicContact NZ-OD1 3.15Å; K2519-D2521 PolarHBondContact NZ-OD1 3.46Å; K2519-D2521 IonicContact NZ-OD2 2.7Å; K2519-D2521 PolarHBondContact NZ-OD2 3.35Å; D2521-Y2523 PolarHBondContact O-N 3.41Å; D2521-Y2523 VanDerWaalsContact O-N 3.12Å; D2521-G2524 PolarHBondContact O-N 3.06Å; D2521-K2527 PolarHBondContact O-NZ 2.88Å
2522	H	24.1	Very low	23	Very low	147.75 Å²	147.75	145.9 Å²	145.9	68%	0.684	76%	0.757	S	S	*	*			trans	61.4	37.9	130.3	-79.3	-1.1	0	0	0	118.8	L2501 L2520	L2501-H2522 WeakPolarHBondContact CD2-CE1 3.21Å; L2520-H2522 HydrophobicContact CB-CB 4Å; L2520-H2522 HydrophobicContact CD2-CB 4.12Å
2523	Y	23	Very low	23.1	Very low	192.25 Å²	192.25	145.6 Å²	145.6	75%	0.754	75%	0.751	S	S	*	*			trans	-176	71.4	165.1	-63.6	-74.9	0	0	0	118.3	D2521 Y2525	D2521-Y2523 PolarHBondContact O-N 3.41Å; D2521-Y2523 VanDerWaalsContact O-N 3.12Å; Y2523-Y2525 VanDerWaalsContact C-N 3.32Å; Y2523-Y2525 HydrophobicContact CD1-CD1 4.45Å; Y2523-Y2525 AromaticContact CD1-CE1 3.53Å; Y2523-Y2525 HydrophobicContact CD1-CE1 3.53Å; Y2523-Y2525 HydrophobicContact CD1-CE2 4.29Å; Y2523-Y2525 AromaticContact CD1-CZ 3.58Å; Y2523-Y2525 WeakPolarHBondContact CD1-OH 3.48Å; Y2523-Y2525 HydrophobicContact CE1-CE1 4.2Å; Y2523-Y2525 HydrophobicContact CG-CE1 4.38Å; Y2523-Y2525 WeakPolarHBondContact O-CD2 3.42Å; Y2523-Y2525 PolarHBondContact O-N 3.06Å
2524	G	24.8	Very low	23.1	Very low	67 Å²	67	146.2 Å²	146.2	69%	0.691	75%	0.745	S	S	*	*			trans	129.3	54.9	154.4	0	0	0	0	0	114.7	D2521	D2521-G2524 PolarHBondContact O-N 3.06Å
2525	Y	22.9	Very low	23.3	Very low	198 Å²	198	141.3 Å²	141.3	78%	0.776	73%	0.728	S	S	*	*			trans	-106.9	141.2	175.2	-79.1	-92.6	0	0	0	110.9	Y2523	Y2523-Y2525 VanDerWaalsContact C-N 3.32Å; Y2523-Y2525 HydrophobicContact CD1-CD1 4.45Å; Y2523-Y2525 AromaticContact CD1-CE1 3.53Å; Y2523-Y2525 HydrophobicContact CD1-CE1 3.53Å; Y2523-Y2525 HydrophobicContact CD1-CE2 4.29Å; Y2523-Y2525 AromaticContact CD1-CZ 3.58Å; Y2523-Y2525 WeakPolarHBondContact CD1-OH 3.48Å; Y2523-Y2525 HydrophobicContact CE1-CE1 4.2Å; Y2523-Y2525 HydrophobicContact CG-CE1 4.38Å; Y2523-Y2525 WeakPolarHBondContact O-CD2 3.42Å; Y2523-Y2525 PolarHBondContact O-N 3.06Å
2526	T	23.7	Very low	23.4	Very low	110.5 Å²	110.5	137.1 Å²	137.1	68%	0.678	72%	0.719	S	S	*	*				-109.6	133.9	88.5	47	0	0	0	0	110.8	L2520 N2528	L2520-T2526 HydrophobicContact CD2-CG2 4.07Å; T2526-N2528 PolarHBondContact O-N 3.02Å; T2526-N2528 VanDerWaalsContact O-N 3.11Å
2527	K	23.2	Very low	23.6	Very low	194.25 Å²	194.25	132.2 Å²	132.2	85%	0.845	70%	0.698	S	S	*	*			trans	-70	114.3	168.7	-105.1	175.8	178.1	173.6	0	109.4	D2521 L2529	D2521-K2527 PolarHBondContact O-NZ 2.88Å; K2527-L2529 PolarHBondContact O-N 3.07Å
2528	N	23.6	Very low	23.8	Very low	135 Å²	135	132.5 Å²	132.5	72%	0.722	69%	0.688	S	S	*	*			trans	-112.2	135.2	168.2	-113.7	-6.1	0	0	0	110.6	T2526 L2530	T2526-N2528 PolarHBondContact O-N 3.02Å; T2526-N2528 VanDerWaalsContact O-N 3.11Å; N2528-L2530 PolarHBondContact O-N 3Å
2529	L	23.2	Very low	23.9	Very low	155 Å²	155	130.5 Å²	130.5	81%	0.812	67%	0.671	S	S	*	*			trans	-6.9	130.1	162.2	-88.3	147.3	0	0	0	112.3	K2527 C2531	K2527-L2529 PolarHBondContact O-N 3.07Å; L2529-C2531 PolarHBondContact O-N 3.03Å
2530	L	22.5	Very low	24	Very low	145.5 Å²	145.5	127 Å²	127	76%	0.762	66%	0.66	S	S	*	*			trans	-49.2	150.6	163.6	-75.3	166.5	0	0	0	111.6	E2452 N2528 I2534	E2452-L2530 VanDerWaalsContact OE2-CD1 3.28Å; E2452-L2530 WeakPolarHBondContact OE2-CD1 3.29Å; N2528-L2530 PolarHBondContact O-N 3Å; L2530-I2534 HydrophobicContact CB-CD1 4.18Å; L2530-I2534 HydrophobicContact CD1-CD1 3.53Å; L2530-I2534 HydrophobicContact CD2-CD1 3.56Å; L2530-I2534 HydrophobicContact CG-CD1 3.92Å
2531	C	22.7	Very low	24.1	Very low	104.25 Å²	104.25	126.5 Å²	126.5	70%	0.704	66%	0.656	S	S	*	*			trans	-159.4	127.9	170.7	-82.6	0	0	0	0	112.8	L2529	L2529-C2531 PolarHBondContact O-N 3.03Å
2532	N	22.3	Very low	24.1	Very low	146.5 Å²	146.5	127.1 Å²	127.1	78%	0.783	66%	0.655	S	S	*	*			trans	-92.6	143.2	159.5	-79.2	-41.6	0	0	0	111.8
2533	N	24.3	Very low	24.2	Very low	122.5 Å²	122.5	125.4 Å²	125.4	66%	0.655	66%	0.655	S	S	*	*			trans	77.4	105.8	167.1	-64.8	-20.4	0	0	0	115
2534	I	23.3	Very low	24.4	Very low	113 Å²	113	121.8 Å²	121.8	58%	0.579	65%	0.649	S	S	*	*			trans	-151.7	130.1	143.7	-72.5	160	0	0	0	110.1	L2530 Q2536 L2560 Q2561 I2562	L2530-I2534 HydrophobicContact CB-CD1 4.18Å; L2530-I2534 HydrophobicContact CD1-CD1 3.53Å; L2530-I2534 HydrophobicContact CD2-CD1 3.56Å; L2530-I2534 HydrophobicContact CG-CD1 3.92Å; I2534-Q2536 HydrophobicContact CG2-CG 4.47Å; I2534-Q2536 PolarHBondContact O-N 3.14Å; I2534-L2560 HydrophobicContact CG2-CD1 3.9Å; I2534-L2560 HydrophobicContact CG2-CD2 4.49Å; I2534-L2560 HydrophobicContact CG2-CG 3.64Å; I2534-Q2561 WeakPolarHBondContact CD1-O 3.31Å; I2534-I2562 HydrophobicContact CD1-CB 4.18Å; I2534-I2562 HydrophobicContact CD1-CG1 3.73Å
2535	N	25.6	Very low	24.5	Very low	97.75 Å²	97.75	124.3 Å²	124.3	52%	0.523	65%	0.651	S	S	.	*			trans	9.9	110.1	161.6	-72	-22.6	0	0	0	115.9	S2537 Y2559 S2570	N2535-S2537 VanDerWaalsContact C-N 3.29Å; N2535-S2537 PolarHBondContact O-N 3.02Å; N2535-Y2559 PolarHBondContact ND2-O 3.43Å; N2535-S2570 WeakPolarHBondContact ND2-CB 3.03Å
2536	Q	24.9	Very low	24.6	Very low	144.25 Å²	144.25	119.3 Å²	119.3	67%	0.674	64%	0.643	S	S	*	*			trans	-71.5	109.3	165	-72.8	176.1	-31.7	0	0	111.2	I2534 N2538 Y2559	I2534-Q2536 HydrophobicContact CG2-CG 4.47Å; I2534-Q2536 PolarHBondContact O-N 3.14Å; Q2536-N2538 PolarHBondContact O-N 2.91Å; Q2536-Y2559 VanDerWaalsContact O-O 3.09Å
2537	S	26.2	Very low	24.8	Very low	57.25 Å²	57.25	120.3 Å²	120.3	40%	0.4	64%	0.644	S	S	.	*			trans	-89	88.7	157.1	56.2	0	0	0	0	109	N2535 L2539 Y2559	N2535-S2537 VanDerWaalsContact C-N 3.29Å; N2535-S2537 PolarHBondContact O-N 3.02Å; S2537-L2539 VanDerWaalsContact C-N 3.31Å; S2537-L2539 PolarHBondContact O-N 3.32Å; S2537-L2539 VanDerWaalsContact O-N 3.15Å; S2537-Y2559 WeakPolarHBondContact CB-O 3.44Å
2538	N	25.1	Very low	25.1	Very low	95 Å²	95	118.8 Å²	118.8	51%	0.508	65%	0.645	S	S	.	*			trans	-68.9	98.5	169.7	-78	-31.1	0	0	0	109.1	Q2536 I2540 Y2559	Q2536-N2538 PolarHBondContact O-N 2.91Å; N2538-I2540 VanDerWaalsContact C-N 3.33Å; N2538-I2540 HydrophobicContact CB-CG1 4.5Å; N2538-I2540 PolarHBondContact O-N 3.03Å; N2538-Y2559 HydrophobicContact CB-CD2 4.46Å
2539	L	25.6	Very low	25.3	Very low	89.75 Å²	89.75	119 Å²	119	47%	0.47	64%	0.642	S	S	.	*			trans	-79.7	97.9	172.2	-117.4	159	0	0	0	108.7	S2537 M2541 L2556 K2557 V2574	S2537-L2539 VanDerWaalsContact C-N 3.31Å; S2537-L2539 PolarHBondContact O-N 3.32Å; S2537-L2539 VanDerWaalsContact O-N 3.15Å; L2539-M2541 HydrophobicContact CD2-CB 3.79Å; L2539-M2541 HydrophobicContact CD2-CG 3.63Å; L2539-M2541 HydrophobicContact CD2-SD 4.16Å; L2539-M2541 PolarHBondContact O-N 3.43Å; L2539-L2556 HydrophobicContact CD1-CD2 4.33Å; L2539-L2556 HydrophobicContact CD2-CB 4.22Å; L2539-L2556 HydrophobicContact CD2-CD2 3.63Å; L2539-K2557 WeakPolarHBondContact CA-O 3.25Å; L2539-K2557 WeakPolarHBondContact CD2-O 3.14Å; L2539-V2574 HydrophobicContact CD2-CG2 4.35Å
2540	I	24.6	Very low	25.4	Very low	106.5 Å²	106.5	117.6 Å²	117.6	55%	0.546	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.9	111.8	170.3	-58.9	174.7	0	0	0	107.1	N2538 Q2542 Y2559	N2538-I2540 VanDerWaalsContact C-N 3.33Å; N2538-I2540 HydrophobicContact CB-CG1 4.5Å; N2538-I2540 PolarHBondContact O-N 3.03Å; I2540-Q2542 HydrophobicContact CG2-CG 4.09Å; I2540-Q2542 PolarHBondContact O-N 3.34Å; I2540-Q2542 VanDerWaalsContact O-N 3.17Å; I2540-Y2559 HydrophobicContact CD1-CE2 4.11Å
2541	M	24.8	Very low	25.6	Very low	125.75 Å²	125.75	117 Å²	117	62%	0.619	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.1	111.9	166	-114.4	-167.2	66.2	0	0	110.1	L2539 T2543 I2554 F2576	L2539-M2541 HydrophobicContact CD2-CB 3.79Å; L2539-M2541 HydrophobicContact CD2-CG 3.63Å; L2539-M2541 HydrophobicContact CD2-SD 4.16Å; L2539-M2541 PolarHBondContact O-N 3.43Å; M2541-T2543 HydrophobicContact CE-CG2 3.86Å; M2541-I2554 HydrophobicContact CG-CG2 3.74Å; M2541-I2554 HydrophobicContact SD-CG2 4.05Å; M2541-F2576 HydrophobicContact SD-CD1 4.46Å; M2541-F2576 HydrophobicContact SD-CE1 3.99Å
2542	Q	26.1	Very low	25.8	Very low	121.5 Å²	121.5	118.2 Å²	118.2	57%	0.568	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.5	113.5	167.8	-81.4	176.7	-37.6	0	0	109.4	I2540 N2544	I2540-Q2542 HydrophobicContact CG2-CG 4.09Å; I2540-Q2542 PolarHBondContact O-N 3.34Å; I2540-Q2542 VanDerWaalsContact O-N 3.17Å; Q2542-N2544 VanDerWaalsContact C-N 3.29Å; Q2542-N2544 PolarHBondContact O-N 3.33Å; Q2542-N2544 VanDerWaalsContact O-N 3.07Å
2543	T	26.5	Very low	26	Very low	111 Å²	111	116.7 Å²	116.7	68%	0.681	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90	91.1	164.3	50.4	0	0	0	0	108.9	M2541 T2545	M2541-T2543 HydrophobicContact CE-CG2 3.86Å; T2543-T2545 PolarHBondContact O-N 3.2Å
2544	N	26.1	Very low	26.3	Very low	118.25 Å²	118.25	114.7 Å²	114.7	63%	0.632	60%	0.599	S	S	*	*			trans	-77	129.5	170	-77	-5.2	0	0	0	109.6	Q2542	Q2542-N2544 VanDerWaalsContact C-N 3.29Å; Q2542-N2544 PolarHBondContact O-N 3.33Å; Q2542-N2544 VanDerWaalsContact O-N 3.07Å
2545	T	27.2	Very low	26.5	Very low	118.5 Å²	118.5	111.6 Å²	111.6	73%	0.727	59%	0.59	S	S	*	*			trans	4.3	140.6	161.8	49.5	0	0	0	0	116	T2543 N2547	T2543-T2545 PolarHBondContact O-N 3.2Å; T2545-N2547 PolarHBondContact O-N 3.26Å
2546	P	26.1	Very low	26.7	Very low	93.75 Å²	93.75	109.7 Å²	109.7	61%	0.609	58%	0.58	S	S	*	*			trans	-67.2	126.4	-178.1	30.1	-35.3	0	0	0	110.9	N1902	N1902-P2546 WeakPolarHBondContact ND2-CB 3.45Å; N1902-P2546 WeakPolarHBondContact ND2-CG 3.37Å; N1902-P2546 WeakPolarHBondContact OD1-CG 3.49Å
2547	N	27.9	Very low	26.8	Very low	130.5 Å²	130.5	107.9 Å²	107.9	70%	0.698	57%	0.57	S	S	*	*			trans	-99.8	139	160.5	-82	-12.9	0	0	0	109.5	T2545 E2549 N2550	T2545-N2547 PolarHBondContact O-N 3.26Å; N2547-E2549 CarbonylContact O-C 3.59Å; N2547-E2549 VanDerWaalsContact O-C 3.25Å; N2547-E2549 PolarHBondContact O-N 3.14Å; N2547-E2549 VanDerWaalsContact O-O 3.04Å; N2547-N2550 PolarHBondContact O-N 3.02Å
2548	N	28.3	Very low	26.9	Very low	163 Å²	163	107.9 Å²	107.9	87%	0.872	57%	0.57	S	S	*	*	S	Bend	trans	-33.8	24.3	-178.8	-66	-10.8	0	0	0	117.8
2549	E	27.3	Very low	27	Very low	140.25 Å²	140.25	110.5 Å²	110.5	66%	0.655	57%	0.573	S	S	*	*	S	Bend	trans	-142	100.2	169.3	-61.1	-176.7	169.3	0	0	111.1	N2547 K2551	N2547-E2549 CarbonylContact O-C 3.59Å; N2547-E2549 VanDerWaalsContact O-C 3.25Å; N2547-E2549 PolarHBondContact O-N 3.14Å; N2547-E2549 VanDerWaalsContact O-O 3.04Å; E2549-K2551 HydrophobicContact CB-CD 4.33Å; E2549-K2551 HydrophobicContact CB-CG 4.48Å; E2549-K2551 PolarHBondContact O-N 3.15Å; E2549-K2551 VanDerWaalsContact O-N 3.09Å; E2549-K2551 VanDerWaalsContact OE2-CE 3.28Å; E2549-K2551 WeakPolarHBondContact OE2-CE 3.38Å; E2549-K2551 IonicContact OE2-NZ 3.23Å; E2549-K2551 PolarHBondContact OE2-NZ 3.02Å
2550	N	26.7	Very low	27.3	Very low	125.25 Å²	125.25	109.3 Å²	109.3	67%	0.67	57%	0.567	S	S	*	*			trans	-46.9	55.3	-175.8	-71.8	-24.4	0	0	0	115	W1900 N1902 N2547	W1900-N2550 VanDerWaalsContact CA-ND2 3.31Å; W1900-N2550 WeakPolarHBondContact CA-ND2 3.42Å; W1900-N2550 HydrophobicContact CB-CB 3.79Å; W1900-N2550 WeakPolarHBondContact CB-ND2 3.5Å; W1900-N2550 VanDerWaalsContact CD1-CB 3.48Å; W1900-N2550 HydrophobicContact CD2-CB 3.35Å; W1900-N2550 HydrophobicContact CE3-CB 3.98Å; W1900-N2550 HydrophobicContact CG-CB 3.28Å; W1900-N2550 HydrophobicContact CZ2-CB 4.2Å; W1900-N2550 VanDerWaalsContact CZ2-N 3.29Å; W1900-N2550 VanDerWaalsContact CZ3-OD1 3.23Å; W1900-N2550 WeakPolarHBondContact CZ3-OD1 3.33Å; N1902-N2550 PolarHBondContact ND2-OD1 2.91Å; N2547-N2550 PolarHBondContact O-N 3.02Å
2551	K	26.1	Very low	27.4	Very low	132.25 Å²	132.25	110.2 Å²	110.2	58%	0.575	57%	0.569	S	S	*	*			trans	-108.8	104.5	175.6	-72	173.2	178.7	167.2	0	109.8	E2549 I2553	E2549-K2551 HydrophobicContact CB-CD 4.33Å; E2549-K2551 HydrophobicContact CB-CG 4.48Å; E2549-K2551 PolarHBondContact O-N 3.15Å; E2549-K2551 VanDerWaalsContact O-N 3.09Å; E2549-K2551 VanDerWaalsContact OE2-CE 3.28Å; E2549-K2551 WeakPolarHBondContact OE2-CE 3.38Å; E2549-K2551 IonicContact OE2-NZ 3.23Å; E2549-K2551 PolarHBondContact OE2-NZ 3.02Å; K2551-I2553 HydrophobicContact CB-CG1 4.47Å; K2551-I2553 PolarHBondContact O-N 3.06Å; K2551-I2553 VanDerWaalsContact O-N 3.11Å
2552	F	27.1	Very low	27.7	Very low	129.25 Å²	129.25	107.9 Å²	107.9	57%	0.567	56%	0.559	S	S	*	*			trans	-76.4	107	167.5	-85.1	-100.4	0	0	0	109.5	N1901 I2554 T2584	N1901-F2552 VanDerWaalsContact C-CE2 3.46Å; N1901-F2552 HydrophobicContact CB-CD2 3.3Å; N1901-F2552 HydrophobicContact CB-CE2 3.18Å; N1901-F2552 HydrophobicContact CB-CG 4.12Å; N1901-F2552 HydrophobicContact CB-CZ 3.86Å; N1901-F2552 VanDerWaalsContact CG-CD2 3.44Å; N1901-F2552 VanDerWaalsContact ND2-CD1 3.26Å; N1901-F2552 WeakPolarHBondContact ND2-CD1 3.22Å; N1901-F2552 WeakPolarHBondContact ND2-CD2 3.01Å; N1901-F2552 WeakPolarHBondContact ND2-CE1 3.29Å; N1901-F2552 WeakPolarHBondContact ND2-CE2 2.92Å; N1901-F2552 WeakPolarHBondContact ND2-CG 2.93Å; N1901-F2552 WeakPolarHBondContact O-CE2 3.34Å; F2552-I2554 PolarHBondContact O-N 3.16Å; F2552-T2584 HydrophobicContact CB-CG2 3.97Å; F2552-T2584 HydrophobicContact CD2-CG2 4.29Å; F2552-T2584 HydrophobicContact CG-CG2 4.36Å; F2552-T2584 VanDerWaalsContact O-CG2 3.28Å; F2552-T2584 WeakPolarHBondContact O-CG2 3.48Å
2553	I	27.2	Very low	27.7	Very low	115.75 Å²	115.75	109.6 Å²	109.6	59%	0.594	56%	0.561	S	S	*	*			trans	-93.6	108.2	173.6	-59.1	173.9	0	0	0	108	K2551 A2555	K2551-I2553 HydrophobicContact CB-CG1 4.47Å; K2551-I2553 PolarHBondContact O-N 3.06Å; K2551-I2553 VanDerWaalsContact O-N 3.11Å; I2553-A2555 VanDerWaalsContact C-N 3.33Å; I2553-A2555 HydrophobicContact CG2-CB 4.42Å; I2553-A2555 PolarHBondContact O-N 3.27Å
2554	I	29.2	Very low	27.7	Very low	81 Å²	81	112.3 Å²	112.3	42%	0.415	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.5	99.8	170.8	-57.7	175.7	0	0	0	107.9	M2541 F2552 L2556 F2576 Y2586	M2541-I2554 HydrophobicContact CG-CG2 3.74Å; M2541-I2554 HydrophobicContact SD-CG2 4.05Å; F2552-I2554 PolarHBondContact O-N 3.16Å; I2554-L2556 HydrophobicContact CG2-CG 4.43Å; I2554-L2556 PolarHBondContact O-N 3.21Å; I2554-F2576 HydrophobicContact CD1-CD1 4.21Å; I2554-F2576 HydrophobicContact CD1-CE1 4.12Å; I2554-F2576 HydrophobicContact CG2-CE1 3.93Å; I2554-F2576 HydrophobicContact CG2-CZ 3.79Å; I2554-Y2586 HydrophobicContact CB-CE1 4.26Å; I2554-Y2586 HydrophobicContact CD1-CE1 4.12Å; I2554-Y2586 HydrophobicContact CG2-CE1 4.31Å
2555	A	28.2	Very low	27.7	Very low	47.5 Å²	47.5	113.5 Å²	113.5	39%	0.393	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.8	104.4	176.1	0	0	0	0	0	110.6	I2553 K2557	I2553-A2555 VanDerWaalsContact C-N 3.33Å; I2553-A2555 HydrophobicContact CG2-CB 4.42Å; I2553-A2555 PolarHBondContact O-N 3.27Å; A2555-K2557 PolarHBondContact O-N 3.44Å
2556	L	29.5	Very low	27.8	Very low	58.25 Å²	58.25	111.3 Å²	111.3	31%	0.305	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	112.4	167.4	-74.9	170.8	0	0	0	109.6	L2539 I2554 V2574 F2576 D2589	L2539-L2556 HydrophobicContact CD1-CD2 4.33Å; L2539-L2556 HydrophobicContact CD2-CB 4.22Å; L2539-L2556 HydrophobicContact CD2-CD2 3.63Å; I2554-L2556 HydrophobicContact CG2-CG 4.43Å; I2554-L2556 PolarHBondContact O-N 3.21Å; L2556-V2574 HydrophobicContact CD1-CB 4.25Å; L2556-V2574 HydrophobicContact CD1-CG1 4.14Å; L2556-V2574 HydrophobicContact CD1-CG2 4.17Å; L2556-V2574 HydrophobicContact CD2-CG1 4.21Å; L2556-F2576 HydrophobicContact CD1-CE1 3.81Å; L2556-F2576 HydrophobicContact CD1-CE2 4.18Å; L2556-F2576 HydrophobicContact CD1-CZ 3.67Å; L2556-F2576 HydrophobicContact CD2-CE1 4.3Å; L2556-F2576 HydrophobicContact CD2-CZ 3.92Å; L2556-F2576 HydrophobicContact CG-CE1 4.15Å; L2556-F2576 HydrophobicContact CG-CZ 3.97Å; L2556-D2589 VanDerWaalsContact O-O 3.11Å
2557	K	26.9	Very low	27.8	Very low	105.5 Å²	105.5	112.6 Å²	112.6	46%	0.459	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.6	119.4	167.3	-72.1	-179.8	179.8	173.2	0	109.2	L2539 A2555 Y2559	L2539-K2557 WeakPolarHBondContact CA-O 3.25Å; L2539-K2557 WeakPolarHBondContact CD2-O 3.14Å; A2555-K2557 PolarHBondContact O-N 3.44Å; K2557-Y2559 HydrophobicContact CB-CE2 4.29Å
2558	S	29.1	Very low	28	Very low	57.75 Å²	57.75	113.3 Å²	113.3	40%	0.404	56%	0.556	S	S	.	*			trans	-112.9	130	169.6	52.3	0	0	0	0	109.7
2559	Y	27.1	Very low	28.1	Very low	149 Å²	149	111.1 Å²	111.1	58%	0.584	54%	0.544	S	S	*	.			trans	-106.5	117.9	175.4	-68.8	-82.8	0	0	0	109.1	N2535 Q2536 S2537 N2538 I2540 K2557	N2535-Y2559 PolarHBondContact ND2-O 3.43Å; Q2536-Y2559 VanDerWaalsContact O-O 3.09Å; S2537-Y2559 WeakPolarHBondContact CB-O 3.44Å; N2538-Y2559 HydrophobicContact CB-CD2 4.46Å; I2540-Y2559 HydrophobicContact CD1-CE2 4.11Å; K2557-Y2559 HydrophobicContact CB-CE2 4.29Å
2560	L	31.1	Very low	28.2	Very low	64.5 Å²	64.5	106 Å²	106	34%	0.338	52%	0.524	S	S	.	.			trans	-116.5	116.7	-179.8	-137.1	140.2	0	0	0	109.5	I2534 I2562 S2570 I2572 I2592 M2595	I2534-L2560 HydrophobicContact CG2-CD1 3.9Å; I2534-L2560 HydrophobicContact CG2-CD2 4.49Å; I2534-L2560 HydrophobicContact CG2-CG 3.64Å; L2560-I2562 HydrophobicContact CD2-CD1 3.97Å; L2560-I2562 HydrophobicContact CD2-CG1 3.72Å; L2560-I2562 PolarHBondContact O-N 3.15Å; L2560-S2570 WeakPolarHBondContact CD1-OG 3.46Å; L2560-I2572 HydrophobicContact CD1-CD1 3.87Å; L2560-I2572 HydrophobicContact CD1-CG1 4.07Å; L2560-I2572 HydrophobicContact CD2-CD1 3.64Å; L2560-I2572 HydrophobicContact CG-CD1 4.28Å; L2560-I2592 HydrophobicContact CD1-CD1 3.36Å; L2560-I2592 HydrophobicContact CD2-CD1 4.2Å; L2560-I2592 HydrophobicContact CG-CD1 4.34Å; L2560-M2595 HydrophobicContact CD2-CE 4.2Å
2561	Q	27.8	Very low	28.4	Very low	126.25 Å²	126.25	104.3 Å²	104.3	59%	0.59	52%	0.515	S	S	*	.			trans	-116.7	101.1	-176.7	-165.3	174.5	9.5	0	0	109.4	I2534 Y2563	I2534-Q2561 WeakPolarHBondContact CD1-O 3.31Å; Q2561-Y2563 HydrophobicContact CB-CE2 4.31Å; Q2561-Y2563 HydrophobicContact CG-CD2 4.5Å; Q2561-Y2563 HydrophobicContact CG-CE2 3.96Å; Q2561-Y2563 PolarHBondContact NE2-OH 3.1Å; Q2561-Y2563 VanDerWaalsContact NE2-OH 3.13Å; Q2561-Y2563 WeakPolarHBondContact O-CE2 3.47Å; Q2561-Y2563 PolarHBondContact O-N 3.02Å; Q2561-Y2563 PolarHBondContact OE1-OH 2.87Å
2562	I	30.3	Very low	28.7	Very low	77.75 Å²	77.75	100.2 Å²	100.2	40%	0.399	50%	0.499	S	S	.	.			trans	-96.2	119.3	-176.9	-55.7	175.5	0	0	0	109.9	I2534 L2560 Y2568 I2592 M2595 N2596	I2534-I2562 HydrophobicContact CD1-CB 4.18Å; I2534-I2562 HydrophobicContact CD1-CG1 3.73Å; L2560-I2562 HydrophobicContact CD2-CD1 3.97Å; L2560-I2562 HydrophobicContact CD2-CG1 3.72Å; L2560-I2562 PolarHBondContact O-N 3.15Å; I2562-Y2568 HydrophobicContact CG2-CD2 4.25Å; I2562-I2592 HydrophobicContact CD1-CG2 4.25Å; I2562-M2595 HydrophobicContact CD1-CE 3.93Å; I2562-M2595 HydrophobicContact CD1-CG 4.19Å; I2562-M2595 HydrophobicContact CD1-SD 3.81Å; I2562-M2595 HydrophobicContact CG1-CE 4.4Å; I2562-M2595 HydrophobicContact CG1-CG 4.44Å; I2562-N2596 PolarHBondContact O-ND2 3.11Å
2563	Y	25.9	Very low	28.9	Very low	155.75 Å²	155.75	98.9 Å²	98.9	61%	0.611	49%	0.494	S	S	*	.			trans	-87.9	154.7	177.2	-72.3	-89.6	0	0	0	111.9	Q2561 N2565	Q2561-Y2563 HydrophobicContact CB-CE2 4.31Å; Q2561-Y2563 HydrophobicContact CG-CD2 4.5Å; Q2561-Y2563 HydrophobicContact CG-CE2 3.96Å; Q2561-Y2563 PolarHBondContact NE2-OH 3.1Å; Q2561-Y2563 VanDerWaalsContact NE2-OH 3.13Å; Q2561-Y2563 WeakPolarHBondContact O-CE2 3.47Å; Q2561-Y2563 PolarHBondContact O-N 3.02Å; Q2561-Y2563 PolarHBondContact OE1-OH 2.87Å; Y2563-N2565 VanDerWaalsContact C-N 3.33Å; Y2563-N2565 PolarHBondContact O-N 3.39Å
2564	K	26.5	Very low	29.1	Very low	168.5 Å²	168.5	95.1 Å²	95.1	73%	0.733	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.6	-165	-114.6	-179.6	173.3	177.4	0	116.2	T2566 K2594	K2564-T2566 PolarHBondContact O-N 2.77Å; K2564-K2594 PolarHBondContact O-NZ 3.14Å
2565	N	26.4	Very low	29.1	Very low	143.25 Å²	143.25	96.1 Å²	96.1	77%	0.766	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.3	23.6	-165.9	-68.4	1.5	0	0	0	116.3	Y2563	Y2563-N2565 VanDerWaalsContact C-N 3.33Å; Y2563-N2565 PolarHBondContact O-N 3.39Å
2566	T	29.6	Very low	29.1	Very low	72.5 Å²	72.5	96.4 Å²	96.4	45%	0.445	48%	0.475	S	S	.	.			trans	-144.3	126.8	170.9	42.5	0	0	0	0	112.1	K2564 Y2568	K2564-T2566 PolarHBondContact O-N 2.77Å; T2566-Y2568 HydrophobicContact CG2-CD2 4.1Å; T2566-Y2568 HydrophobicContact CG2-CE2 3.97Å; T2566-Y2568 PolarHBondContact O-N 3.11Å; T2566-Y2568 VanDerWaalsContact O-N 3.16Å; T2566-Y2568 WeakPolarHBondContact OG1-CD2 3.14Å; T2566-Y2568 WeakPolarHBondContact OG1-CE2 3.12Å; T2566-Y2568 PolarHBondContact OG1-OH 3.16Å
2567	V	26.2	Very low	29	Very low	121.5 Å²	121.5	100.1 Å²	100.1	74%	0.736	49%	0.491	S	S	*	.			trans	-77	100.7	170.2	-178.3	0	0	0	0	107.7
2568	Y	31.3	Very low	29	Very low	144.25 Å²	144.25	102.2 Å²	102.2	57%	0.566	50%	0.496	S	S	*	.			trans	-119.5	124.4	169.1	-73.3	-69.3	0	0	0	108.8	I2562 T2566 S2570	I2562-Y2568 HydrophobicContact CG2-CD2 4.25Å; T2566-Y2568 HydrophobicContact CG2-CD2 4.1Å; T2566-Y2568 HydrophobicContact CG2-CE2 3.97Å; T2566-Y2568 PolarHBondContact O-N 3.11Å; T2566-Y2568 VanDerWaalsContact O-N 3.16Å; T2566-Y2568 WeakPolarHBondContact OG1-CD2 3.14Å; T2566-Y2568 WeakPolarHBondContact OG1-CE2 3.12Å; T2566-Y2568 PolarHBondContact OG1-OH 3.16Å; Y2568-S2570 PolarHBondContact O-N 3.14Å
2569	N	29.6	Very low	29	Very low	117.75 Å²	117.75	106.9 Å²	106.9	63%	0.63	52%	0.515	S	S	*	.			trans	-69	116.2	155.1	-72.2	0.3	0	0	0	106.2	D2571 Y2603	N2569-D2571 VanDerWaalsContact C-N 3.28Å; N2569-D2571 PolarHBondContact O-N 3.21Å; N2569-Y2603 HydrophobicContact CB-CD2 3.8Å; N2569-Y2603 HydrophobicContact CB-CE2 4.32Å; N2569-Y2603 HydrophobicContact CB-CG 4.43Å; N2569-Y2603 VanDerWaalsContact CG-CD2 3.48Å; N2569-Y2603 VanDerWaalsContact CG-CE2 3.48Å; N2569-Y2603 VanDerWaalsContact OD1-CE2 3.32Å; N2569-Y2603 WeakPolarHBondContact OD1-CE2 3.35Å
2570	S	31.2	Very low	29.1	Very low	32.5 Å²	32.5	104.3 Å²	104.3	23%	0.227	51%	0.514	C	S	.	.			trans	-104	91.7	178.9	60.9	0	0	0	0	109.5	N2535 L2560 Y2568 I2572	N2535-S2570 WeakPolarHBondContact ND2-CB 3.03Å; L2560-S2570 WeakPolarHBondContact CD1-OG 3.46Å; Y2568-S2570 PolarHBondContact O-N 3.14Å; S2570-I2572 VanDerWaalsContact C-N 3.26Å; S2570-I2572 PolarHBondContact O-N 3.19Å
2571	D	30.3	Very low	28.9	Very low	88.75 Å²	88.75	109.5 Å²	109.5	48%	0.475	54%	0.537	S	S	.	.			trans	-76.3	110	172.2	-61.6	-25.4	0	0	0	108.4	I2256 N2569 H2573 Q2605	I2256-D2571 WeakPolarHBondContact CD1-OD2 3.34Å; N2569-D2571 VanDerWaalsContact C-N 3.28Å; N2569-D2571 PolarHBondContact O-N 3.21Å; D2571-H2573 PolarHBondContact O-N 3.36Å; D2571-Q2605 VanDerWaalsContact CG-NE2 3.28Å; D2571-Q2605 PolarHBondContact OD1-NE2 2.88Å
2572	I	31.5	Very low	29	Very low	46 Å²	46	111.2 Å²	111.2	24%	0.236	54%	0.542	C	S	.	.			trans	-98.2	103.6	175.5	-57.3	174.4	0	0	0	107.9	L2560 S2570 V2574 I2590 Q2605	L2560-I2572 HydrophobicContact CD1-CD1 3.87Å; L2560-I2572 HydrophobicContact CD1-CG1 4.07Å; L2560-I2572 HydrophobicContact CD2-CD1 3.64Å; L2560-I2572 HydrophobicContact CG-CD1 4.28Å; S2570-I2572 VanDerWaalsContact C-N 3.26Å; S2570-I2572 PolarHBondContact O-N 3.19Å; I2572-V2574 HydrophobicContact CG2-CG2 4.03Å; I2572-I2590 PolarHBondContact N-O 3.19Å; I2572-Q2605 CarbonylContact O-C 3.5Å; I2572-Q2605 PolarHBondContact O-N 3.29Å
2573	H	31.3	Very low	28.9	Very low	103.25 Å²	103.25	113.2 Å²	113.2	48%	0.478	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.9	123	169.4	-56.8	-66.6	0	0	0	110.1	Y2254 I2256 D2571 D2589 Q2605 H2607	Y2254-H2573 AromaticContact CD1-CD2 3.7Å; Y2254-H2573 AromaticContact CD1-NE2 3.5Å; Y2254-H2573 WeakPolarHBondContact CD1-NE2 3.25Å; Y2254-H2573 AromaticContact CE1-CD2 3.51Å; Y2254-H2573 AromaticContact CE1-NE2 3.75Å; I2256-H2573 WeakPolarHBondContact CG2-CE1 3.21Å; D2571-H2573 PolarHBondContact O-N 3.36Å; H2573-D2589 IonicContact CE1-OD1 3.82Å; H2573-D2589 PolarHBondContact CE1-OD1 3.21Å; H2573-D2589 IonicContact CG-OD1 3.12Å; H2573-D2589 IonicContact ND1-OD1 3.37Å; H2573-D2589 PolarHBondContact ND1-OD1 2.97Å; H2573-Q2605 PolarHBondContact CE1-OE1 3.4Å; H2573-Q2605 VanDerWaalsContact CE1-OE1 3.3Å; H2573-Q2605 PolarHBondContact ND1-OE1 3.07Å; H2573-Q2605 VanDerWaalsContact ND1-OE1 3.15Å; H2573-H2607 AromaticContact CE1-NE2 3.91Å; H2573-H2607 AromaticContact ND1-CD2 3.54Å; H2573-H2607 AromaticContact ND1-NE2 3.43Å; H2573-H2607 PolarHBondContact ND1-NE2 3.45Å
2574	V	32.3	Very low	29.1	Very low	36.5 Å²	36.5	108.7 Å²	108.7	22%	0.221	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.3	173.6	-175	0	0	0	0	109.4	L2539 L2556 I2572 F2576 I2588 H2607	L2539-V2574 HydrophobicContact CD2-CG2 4.35Å; L2556-V2574 HydrophobicContact CD1-CB 4.25Å; L2556-V2574 HydrophobicContact CD1-CG1 4.14Å; L2556-V2574 HydrophobicContact CD1-CG2 4.17Å; L2556-V2574 HydrophobicContact CD2-CG1 4.21Å; I2572-V2574 HydrophobicContact CG2-CG2 4.03Å; V2574-F2576 HydrophobicContact CB-CE2 4.29Å; V2574-F2576 HydrophobicContact CG1-CD2 4.23Å; V2574-F2576 HydrophobicContact CG1-CE1 4.36Å; V2574-F2576 HydrophobicContact CG1-CE2 3.86Å; V2574-F2576 VanDerWaalsContact CG1-CE2 3.47Å; V2574-F2576 HydrophobicContact CG1-CZ 3.88Å; V2574-I2588 PolarHBondContact N-O 3.41Å; V2574-I2588 PolarHBondContact O-N 3.31Å; V2574-H2607 PolarHBondContact O-N 3.25Å; V2574-H2607 VanDerWaalsContact O-O 3.14Å
2575	N	28.1	Very low	29.2	Very low	100.5 Å²	100.5	104.9 Å²	104.9	54%	0.537	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.7	175	-73.7	-14.3	0	0	0	110.6	Y2586 T2587	N2575-Y2586 WeakPolarHBondContact CA-O 2.97Å; N2575-T2587 VanDerWaalsContact OD1-CG2 3.25Å; N2575-T2587 WeakPolarHBondContact OD1-CG2 3.11Å
2576	F	30	Very low	29.5	Very low	53.5 Å²	53.5	101.6 Å²	101.6	24%	0.235	51%	0.511	C	S	.	.			trans	-96.5	124.9	172.5	-68.1	-82	0	0	0	111.1	M2541 I2554 L2556 V2574 Y2586 I2588 V2606 Y2610	M2541-F2576 HydrophobicContact SD-CD1 4.46Å; M2541-F2576 HydrophobicContact SD-CE1 3.99Å; I2554-F2576 HydrophobicContact CD1-CD1 4.21Å; I2554-F2576 HydrophobicContact CD1-CE1 4.12Å; I2554-F2576 HydrophobicContact CG2-CE1 3.93Å; I2554-F2576 HydrophobicContact CG2-CZ 3.79Å; L2556-F2576 HydrophobicContact CD1-CE1 3.81Å; L2556-F2576 HydrophobicContact CD1-CE2 4.18Å; L2556-F2576 HydrophobicContact CD1-CZ 3.67Å; L2556-F2576 HydrophobicContact CD2-CE1 4.3Å; L2556-F2576 HydrophobicContact CD2-CZ 3.92Å; L2556-F2576 HydrophobicContact CG-CE1 4.15Å; L2556-F2576 HydrophobicContact CG-CZ 3.97Å; V2574-F2576 HydrophobicContact CB-CE2 4.29Å; V2574-F2576 HydrophobicContact CG1-CD2 4.23Å; V2574-F2576 HydrophobicContact CG1-CE1 4.36Å; V2574-F2576 HydrophobicContact CG1-CE2 3.86Å; V2574-F2576 VanDerWaalsContact CG1-CE2 3.47Å; V2574-F2576 HydrophobicContact CG1-CZ 3.88Å; F2576-Y2586 HydrophobicContact CB-CD2 4.29Å; F2576-Y2586 HydrophobicContact CD1-CD1 4.37Å; F2576-Y2586 PolarHBondContact N-O 3.21Å; F2576-I2588 HydrophobicContact CD1-CD1 4.23Å; F2576-I2588 HydrophobicContact CE1-CD1 3.77Å; F2576-I2588 HydrophobicContact CE1-CG1 4.17Å; F2576-I2588 HydrophobicContact CE2-CD1 3.76Å; F2576-I2588 HydrophobicContact CE2-CG1 4Å; F2576-I2588 HydrophobicContact CZ-CD1 3.56Å; F2576-I2588 HydrophobicContact CZ-CG1 3.95Å; F2576-V2606 HydrophobicContact CE2-CG1 4.25Å; F2576-Y2610 VanDerWaalsContact O-CD2 3.3Å; F2576-Y2610 WeakPolarHBondContact O-CD2 3.3Å; F2576-Y2610 WeakPolarHBondContact O-CE2 3.44Å
2577	H	27.1	Very low	29.5	Very low	137.5 Å²	137.5	101.6 Å²	101.6	64%	0.637	51%	0.511	S	S	*	.			trans	-108.9	131.6	168.6	-70.5	-68.1	0	0	0	109.9	I2579 Y2610	H2577-I2579 PolarHBondContact O-N 3.18Å; H2577-Y2610 AromaticContact ND1-CE2 3.82Å; H2577-Y2610 AromaticContact ND1-CZ 3.89Å; H2577-Y2610 PolarHBondContact ND1-OH 2.72Å; H2577-Y2610 VanDerWaalsContact ND1-OH 3.08Å
2578	R	27.1	Very low	29.9	Very low	149 Å²	149	97.3 Å²	97.3	56%	0.562	48%	0.484	S	S	*	.			trans	-86.2	128.8	176	-134.1	-178.4	178	-178	0.1	110.4	T2580 E2581 Y2610 L2613	R2578-T2580 WeakPolarHBondContact CG-O 3.39Å; R2578-T2580 PolarHBondContact NE-O 3.34Å; R2578-T2580 PolarHBondContact O-N 2.81Å; R2578-E2581 PolarHBondContact NH2-O 3.41Å; R2578-Y2610 HydrophobicContact CB-CG 4.45Å; R2578-L2613 VanDerWaalsContact NH2-CD1 3.3Å
2579	I	29	Very low	29.9	Very low	156.5 Å²	156.5	93.1 Å²	93.1	80%	0.803	47%	0.471	S	S	*	.			trans	-84.2	34.1	177.4	-56.7	173.4	0	0	0	110.5	H2577	H2577-I2579 PolarHBondContact O-N 3.18Å
2580	T	28.2	Very low	30.2	Very low	94.25 Å²	94.25	89.5 Å²	89.5	58%	0.578	45%	0.451	S	S	*	.	S	Bend	trans	-151.8	140	176.9	56.7	0	0	0	0	113	R2578 K2582	R2578-T2580 WeakPolarHBondContact CG-O 3.39Å; R2578-T2580 PolarHBondContact NE-O 3.34Å; R2578-T2580 PolarHBondContact O-N 2.81Å; T2580-K2582 VanDerWaalsContact C-N 3.31Å; T2580-K2582 PolarHBondContact O-N 3.12Å
2581	E	27.3	Very low	30.4	Very low	173.25 Å²	173.25	90.6 Å²	90.6	81%	0.81	46%	0.455	S	S	*	.	S	Bend	trans	-69.1	7.8	-165.3	-65.4	-178	135.9	0	0	117.1	N2028 R2578	N2028-E2581 PolarHBondContact ND2-OE1 2.69Å; R2578-E2581 PolarHBondContact NH2-O 3.41Å
2582	K	29.2	Very low	30.7	Very low	162 Å²	162	87.6 Å²	87.6	70%	0.704	44%	0.439	S	S	*	.	S	Bend	trans	-111.5	125.1	-180	-73.5	-175.2	173.2	179.6	0	111.9	T2580 T2584	T2580-K2582 VanDerWaalsContact C-N 3.31Å; T2580-K2582 PolarHBondContact O-N 3.12Å; K2582-T2584 PolarHBondContact O-N 2.95Å; K2582-T2584 PolarHBondContact O-OG1 3.29Å
2583	I	29.7	Very low	30.8	Very low	120.25 Å²	120.25	89.2 Å²	89.2	62%	0.617	45%	0.447	S	S	*	.			trans	-73.3	120.7	177.2	-58	161.9	0	0	0	110.3	Y2586 D2614	I2583-Y2586 HydrophobicContact CG2-CE2 4.38Å; I2583-Y2586 WeakPolarHBondContact CG2-OH 3.48Å; I2583-D2614 WeakPolarHBondContact CG2-OD2 3.45Å
2584	T	29.5	Very low	31	Very low	62 Å²	62	90.3 Å²	90.3	38%	0.38	45%	0.451	S	S	.	.			trans	-120.4	137.3	174.6	38.4	0	0	0	0	110.7	F2552 K2582 Y2586	F2552-T2584 HydrophobicContact CB-CG2 3.97Å; F2552-T2584 HydrophobicContact CD2-CG2 4.29Å; F2552-T2584 HydrophobicContact CG-CG2 4.36Å; F2552-T2584 VanDerWaalsContact O-CG2 3.28Å; F2552-T2584 WeakPolarHBondContact O-CG2 3.48Å; K2582-T2584 PolarHBondContact O-N 2.95Å; K2582-T2584 PolarHBondContact O-OG1 3.29Å; T2584-Y2586 WeakPolarHBondContact O-CD2 3.41Å; T2584-Y2586 WeakPolarHBondContact O-CE2 3.29Å; T2584-Y2586 PolarHBondContact O-N 2.9Å
2585	P	28.2	Very low	31.1	Very low	87 Å²	87	92.5 Å²	92.5	57%	0.565	46%	0.46	S	S	*	.			trans	-70.8	131.9	-179.8	28	-33.2	0	0	0	111.3	T2587 N2617	P2585-T2587 PolarHBondContact O-N 3.02Å; P2585-N2617 WeakPolarHBondContact CA-O 3.42Å
2586	Y	32.6	Very low	31.5	Very low	74.25 Å²	74.25	93.2 Å²	93.2	29%	0.291	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.9	176.1	-65.8	-96.1	0	0	0	109.8	I2554 N2575 F2576 I2583 T2584 Y2610 N2617 I2619	I2554-Y2586 HydrophobicContact CB-CE1 4.26Å; I2554-Y2586 HydrophobicContact CD1-CE1 4.12Å; I2554-Y2586 HydrophobicContact CG2-CE1 4.31Å; N2575-Y2586 WeakPolarHBondContact CA-O 2.97Å; F2576-Y2586 HydrophobicContact CB-CD2 4.29Å; F2576-Y2586 HydrophobicContact CD1-CD1 4.37Å; F2576-Y2586 PolarHBondContact N-O 3.21Å; I2583-Y2586 HydrophobicContact CG2-CE2 4.38Å; I2583-Y2586 WeakPolarHBondContact CG2-OH 3.48Å; T2584-Y2586 WeakPolarHBondContact O-CD2 3.41Å; T2584-Y2586 WeakPolarHBondContact O-CE2 3.29Å; T2584-Y2586 PolarHBondContact O-N 2.9Å; Y2586-Y2610 HydrophobicContact CD1-CD2 4.26Å; Y2586-Y2610 AromaticContact CD1-CE2 3.53Å; Y2586-Y2610 HydrophobicContact CD1-CE2 3.53Å; Y2586-Y2610 HydrophobicContact CE1-CD2 4.41Å; Y2586-Y2610 AromaticContact CE1-CE2 3.38Å; Y2586-Y2610 HydrophobicContact CE1-CE2 3.38Å; Y2586-Y2610 AromaticContact CE1-CZ 3.7Å; Y2586-Y2610 WeakPolarHBondContact CE1-OH 3.5Å; Y2586-Y2610 PolarHBondContact OH-OH 2.89Å; Y2586-N2617 PolarHBondContact N-O 2.98Å; Y2586-I2619 PolarHBondContact O-N 3.45Å
2587	T	30.4	Very low	31.7	Very low	72.5 Å²	72.5	98.4 Å²	98.4	45%	0.445	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.1	172.6	0.8	0	0	0	0	109.5	N2575 P2585 I2619	N2575-T2587 VanDerWaalsContact OD1-CG2 3.25Å; N2575-T2587 WeakPolarHBondContact OD1-CG2 3.11Å; P2585-T2587 PolarHBondContact O-N 3.02Å; T2587-I2619 WeakPolarHBondContact CA-O 3.33Å
2588	I	34	Very low	32.2	Very low	31 Å²	31	100 Å²	100	16%	0.159	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.6	174.6	-57	168.4	0	0	0	107.6	V2574 F2576 I2590 V2606 F2618 I2619 T2620 K2621	V2574-I2588 PolarHBondContact N-O 3.41Å; V2574-I2588 PolarHBondContact O-N 3.31Å; F2576-I2588 HydrophobicContact CD1-CD1 4.23Å; F2576-I2588 HydrophobicContact CE1-CD1 3.77Å; F2576-I2588 HydrophobicContact CE1-CG1 4.17Å; F2576-I2588 HydrophobicContact CE2-CD1 3.76Å; F2576-I2588 HydrophobicContact CE2-CG1 4Å; F2576-I2588 HydrophobicContact CZ-CD1 3.56Å; F2576-I2588 HydrophobicContact CZ-CG1 3.95Å; I2588-I2590 HydrophobicContact CG2-CD1 4.27Å; I2588-I2590 HydrophobicContact CG2-CG1 4.03Å; I2588-V2606 HydrophobicContact CD1-CG1 4.42Å; I2588-F2618 HydrophobicContact CD1-CE1 4.39Å; I2588-F2618 HydrophobicContact CD1-CE2 3.96Å; I2588-F2618 HydrophobicContact CD1-CZ 3.54Å; I2588-I2619 PolarHBondContact N-O 3.43Å; I2588-T2620 HydrophobicContact CB-CG2 4.25Å; I2588-T2620 HydrophobicContact CD1-CG2 3.88Å; I2588-T2620 HydrophobicContact CG1-CG2 4.44Å; I2588-K2621 PolarHBondContact O-N 2.95Å
2589	D	31.7	Very low	32.9	Very low	56.75 Å²	56.75	94.5 Å²	94.5	30%	0.303	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.5	176.3	-70	-19.5	0	0	0	109.3	L2556 H2573 H2607 K2621 I2623	L2556-D2589 VanDerWaalsContact O-O 3.11Å; H2573-D2589 IonicContact CE1-OD1 3.82Å; H2573-D2589 PolarHBondContact CE1-OD1 3.21Å; H2573-D2589 IonicContact CG-OD1 3.12Å; H2573-D2589 IonicContact ND1-OD1 3.37Å; H2573-D2589 PolarHBondContact ND1-OD1 2.97Å; D2589-H2607 HydrophobicContact CB-CB 4.43Å; D2589-H2607 PolarHBondContact N-O 2.71Å; D2589-H2607 VanDerWaalsContact N-O 3.08Å; D2589-H2607 PolarHBondContact O-N 3.3Å; D2589-K2621 WeakPolarHBondContact OD1-CD 3.39Å; D2589-K2621 IonicContact OD1-NZ 2.72Å; D2589-K2621 IonicContact OD2-NZ 3.97Å; D2589-I2623 HydrophobicContact CB-CD1 4.43Å
2590	I	36.2	Very low	33.4	Very low	42.25 Å²	42.25	94.9 Å²	94.9	22%	0.217	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.7	178.5	-55.8	176.9	0	0	0	108.5	I2572 I2588 I2592 V2604 K2621 L2622 I2623	I2572-I2590 PolarHBondContact N-O 3.19Å; I2588-I2590 HydrophobicContact CG2-CD1 4.27Å; I2588-I2590 HydrophobicContact CG2-CG1 4.03Å; I2590-I2592 HydrophobicContact CG2-CD1 4.25Å; I2590-I2592 HydrophobicContact CG2-CG1 4.16Å; I2590-V2604 HydrophobicContact CD1-CG1 4.14Å; I2590-K2621 PolarHBondContact N-O 3.49Å; I2590-K2621 VanDerWaalsContact N-O 3.09Å; I2590-L2622 HydrophobicContact CB-CD1 4.21Å; I2590-L2622 HydrophobicContact CD1-CD1 4.48Å; I2590-L2622 HydrophobicContact CG2-CD1 4.3Å; I2590-I2623 PolarHBondContact O-N 3.02Å
2591	D	34	Very low	33.9	Very low	55 Å²	55	93.1 Å²	93.1	29%	0.294	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	106.6	-176.6	-88.7	-17	0	0	0	110.9	N2593 Q2605 H2607 I2623	D2591-N2593 PolarHBondContact O-N 3.27Å; D2591-N2593 VanDerWaalsContact O-N 3.13Å; D2591-N2593 PolarHBondContact O-ND2 2.78Å; D2591-N2593 PolarHBondContact OD1-ND2 3.03Å; D2591-Q2605 HydrophobicContact CB-CB 4.44Å; D2591-Q2605 PolarHBondContact N-O 3.05Å; D2591-Q2605 PolarHBondContact O-N 3.42Å; D2591-H2607 IonicContact OD2-CD2 2.81Å; D2591-I2623 WeakPolarHBondContact OD1-CG2 3.34Å
2592	I	36.7	Very low	34.5	Very low	27.25 Å²	27.25	85.9 Å²	85.9	14%	0.14	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	95.2	179.4	-56.1	176.8	0	0	0	109.4	L2560 I2562 I2590 M2595 L2602 I2623 M2624	L2560-I2592 HydrophobicContact CD1-CD1 3.36Å; L2560-I2592 HydrophobicContact CD2-CD1 4.2Å; L2560-I2592 HydrophobicContact CG-CD1 4.34Å; I2562-I2592 HydrophobicContact CD1-CG2 4.25Å; I2590-I2592 HydrophobicContact CG2-CD1 4.25Å; I2590-I2592 HydrophobicContact CG2-CG1 4.16Å; I2592-M2595 HydrophobicContact CD1-CE 4.37Å; I2592-M2595 HydrophobicContact CG2-CE 3.77Å; I2592-M2595 HydrophobicContact CG2-CG 3.88Å; I2592-M2595 HydrophobicContact CG2-SD 4.14Å; I2592-L2602 HydrophobicContact CD1-CD1 4.22Å; I2592-L2602 HydrophobicContact CD1-CD2 3.82Å; I2592-L2602 HydrophobicContact CG2-CD1 4.5Å; I2592-L2602 HydrophobicContact CG2-CD2 4.27Å; I2592-I2623 PolarHBondContact N-O 3.22Å; I2592-M2624 HydrophobicContact CB-SD 4.06Å; I2592-M2624 HydrophobicContact CD1-SD 4Å; I2592-M2624 HydrophobicContact CG1-SD 4.25Å; I2592-M2624 HydrophobicContact CG2-SD 4.04Å
2593	N	34.5	Very low	34.8	Very low	77.75 Å²	77.75	82.3 Å²	82.3	42%	0.416	41%	0.413	S	S	.	.			trans	-96.4	99.8	-177.1	-73.7	-45.8	0	0	0	113	D2591 M2595 K2625	D2591-N2593 PolarHBondContact O-N 3.27Å; D2591-N2593 VanDerWaalsContact O-N 3.13Å; D2591-N2593 PolarHBondContact O-ND2 2.78Å; D2591-N2593 PolarHBondContact OD1-ND2 3.03Å; N2593-M2595 PolarHBondContact O-N 3.29Å; N2593-K2625 PolarHBondContact OD1-NZ 2.74Å
2594	K	34.7	Very low	35.3	Very low	128 Å²	128	77.1 Å²	77.1	56%	0.557	39%	0.387	S	S	*	.			trans	-88.2	92.7	167.5	-144	-175.2	178.6	-175.1	0	112.4	K2564 N2596	K2564-K2594 PolarHBondContact O-NZ 3.14Å; K2594-N2596 PolarHBondContact O-N 3.2Å
2595	M	34.8	Very low	35.5	Very low	82.75 Å²	82.75	76.2 Å²	76.2	41%	0.408	38%	0.378	S	S	.	.			trans	-85.9	119.2	168.4	-71.5	-98.7	-166	0	0	111	L2560 I2562 I2592 N2593 E2597 S2599 L2602 N2626	L2560-M2595 HydrophobicContact CD2-CE 4.2Å; I2562-M2595 HydrophobicContact CD1-CE 3.93Å; I2562-M2595 HydrophobicContact CD1-CG 4.19Å; I2562-M2595 HydrophobicContact CD1-SD 3.81Å; I2562-M2595 HydrophobicContact CG1-CE 4.4Å; I2562-M2595 HydrophobicContact CG1-CG 4.44Å; I2592-M2595 HydrophobicContact CD1-CE 4.37Å; I2592-M2595 HydrophobicContact CG2-CE 3.77Å; I2592-M2595 HydrophobicContact CG2-CG 3.88Å; I2592-M2595 HydrophobicContact CG2-SD 4.14Å; N2593-M2595 PolarHBondContact O-N 3.29Å; M2595-E2597 PolarHBondContact O-N 3.34Å; M2595-S2599 VanDerWaalsContact O-CB 3.29Å; M2595-S2599 WeakPolarHBondContact O-CB 3.22Å; M2595-S2599 PolarHBondContact O-OG 3.18Å; M2595-L2602 HydrophobicContact CE-CD1 3.52Å; M2595-L2602 HydrophobicContact SD-CD1 4.02Å; M2595-N2626 PolarHBondContact N-ND2 2.95Å; M2595-N2626 PolarHBondContact O-ND2 2.99Å
2596	N	36.2	Very low	35.9	Very low	114 Å²	114	73.9 Å²	73.9	61%	0.61	36%	0.362	S	S	*	.			trans	5.3	142.8	170.2	-76.9	-27.3	0	0	0	115.1	I2562 K2594 Q2598 S2599 K2628	I2562-N2596 PolarHBondContact O-ND2 3.11Å; K2594-N2596 PolarHBondContact O-N 3.2Å; N2596-Q2598 PolarHBondContact O-N 3.15Å; N2596-Q2598 VanDerWaalsContact O-N 3.16Å; N2596-S2599 PolarHBondContact O-N 3.22Å; N2596-S2599 VanDerWaalsContact O-N 3.14Å; N2596-S2599 PolarHBondContact O-OG 3.45Å; N2596-S2599 VanDerWaalsContact O-OG 3.13Å; N2596-K2628 VanDerWaalsContact O-CE 3.23Å; N2596-K2628 WeakPolarHBondContact O-CE 3.4Å; N2596-K2628 PolarHBondContact O-NZ 2.87Å
2597	E	35.5	Very low	35.9	Very low	163 Å²	163	73.1 Å²	73.1	76%	0.762	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.6	-172.3	-66	-173.7	120.7	0	0	114.9	M2595 S2599 K2628 K2629	M2595-E2597 PolarHBondContact O-N 3.34Å; E2597-S2599 VanDerWaalsContact C-N 3.26Å; E2597-S2599 PolarHBondContact O-N 3.24Å; E2597-K2628 IonicContact OE1-NZ 2.71Å; E2597-K2628 PolarHBondContact OE1-NZ 2.99Å; E2597-K2628 IonicContact OE2-NZ 2.68Å; E2597-K2628 PolarHBondContact OE2-NZ 2.94Å; E2597-K2629 VanDerWaalsContact C-NZ 3.34Å; E2597-K2629 VanDerWaalsContact O-CE 3.24Å; E2597-K2629 WeakPolarHBondContact O-CE 3.24Å; E2597-K2629 PolarHBondContact O-NZ 3.24Å
2598	Q	37.3	Very low	36.1	Very low	170.75 Å²	170.75	72 Å²	72	80%	0.798	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.4	-177.1	-63.2	-176.1	-33.5	0	0	114.9	N2596 K2600	N2596-Q2598 PolarHBondContact O-N 3.15Å; N2596-Q2598 VanDerWaalsContact O-N 3.16Å; Q2598-K2600 PolarHBondContact O-N 3.11Å
2599	S	40.8	Very low	36	Very low	33 Å²	33	78.3 Å²	78.3	23%	0.231	39%	0.386	C	S	.	.			trans	-78	116.5	179.3	70.8	0	0	0	0	111.3	M2595 N2596 E2597 N2601 K2628 K2629	M2595-S2599 VanDerWaalsContact O-CB 3.29Å; M2595-S2599 WeakPolarHBondContact O-CB 3.22Å; M2595-S2599 PolarHBondContact O-OG 3.18Å; N2596-S2599 PolarHBondContact O-N 3.22Å; N2596-S2599 VanDerWaalsContact O-N 3.14Å; N2596-S2599 PolarHBondContact O-OG 3.45Å; N2596-S2599 VanDerWaalsContact O-OG 3.13Å; E2597-S2599 VanDerWaalsContact C-N 3.26Å; E2597-S2599 PolarHBondContact O-N 3.24Å; S2599-N2601 PolarHBondContact O-N 2.86Å; S2599-N2601 PolarHBondContact OG-O 3.45Å; S2599-K2628 WeakPolarHBondContact O-CD 3.12Å; S2599-K2628 WeakPolarHBondContact O-CE 3.5Å; S2599-K2628 PolarHBondContact O-NZ 2.89Å; S2599-K2628 PolarHBondContact OG-NZ 3.16Å; S2599-K2629 WeakPolarHBondContact O-CD 3.32Å; S2599-K2629 WeakPolarHBondContact O-CE 3.28Å; S2599-K2629 PolarHBondContact O-NZ 2.78Å
2600	K	39.1	Very low	36.1	Very low	165.25 Å²	165.25	81.8 Å²	81.8	72%	0.718	40%	0.396	S	S	*	.			trans	-71.9	-19.2	178.1	-71.6	-178.8	178.7	175.4	0	113.4	Q2598 K2628 K2629 S2630	Q2598-K2600 PolarHBondContact O-N 3.11Å; K2600-K2628 VanDerWaalsContact O-CD 3.29Å; K2600-K2628 WeakPolarHBondContact O-CD 3.3Å; K2600-K2629 PolarHBondContact O-N 3.11Å; K2600-S2630 PolarHBondContact O-N 2.92Å; K2600-S2630 PolarHBondContact O-OG 3.23Å
2601	N	39	Very low	35.9	Very low	58 Å²	58	85.6 Å²	85.6	31%	0.31	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.9	-173.8	-58.8	3.9	0	0	0	110.2	S2599 Y2603 S2630	S2599-N2601 PolarHBondContact O-N 2.86Å; S2599-N2601 PolarHBondContact OG-O 3.45Å; N2601-Y2603 HydrophobicContact CB-CD2 4.27Å; N2601-Y2603 HydrophobicContact CB-CE2 3.83Å; N2601-Y2603 PolarHBondContact ND2-OH 3.28Å; N2601-S2630 CarbonylContact C-O 3.49Å; N2601-S2630 WeakPolarHBondContact CA-OG 3.11Å; N2601-S2630 VanDerWaalsContact CB-OG 3.26Å; N2601-S2630 WeakPolarHBondContact CB-OG 3.34Å; N2601-S2630 PolarHBondContact ND2-OG 2.99Å; N2601-S2630 PolarHBondContact OD1-OG 3.39Å; N2601-S2630 VanDerWaalsContact OD1-OG 3.1Å
2602	L	40.2	Very low	35.9	Very low	22 Å²	22	86 Å²	86	12%	0.115	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.4	167.4	-166.2	111.5	0	0	0	108.1	I2592 M2595 V2604 M2624 S2630 I2631 H2632	I2592-L2602 HydrophobicContact CD1-CD1 4.22Å; I2592-L2602 HydrophobicContact CD1-CD2 3.82Å; I2592-L2602 HydrophobicContact CG2-CD1 4.5Å; I2592-L2602 HydrophobicContact CG2-CD2 4.27Å; M2595-L2602 HydrophobicContact CE-CD1 3.52Å; M2595-L2602 HydrophobicContact SD-CD1 4.02Å; L2602-V2604 HydrophobicContact CD2-CG2 3.88Å; L2602-V2604 HydrophobicContact CG-CG2 4.18Å; L2602-M2624 HydrophobicContact CD1-CE 4.07Å; L2602-M2624 HydrophobicContact CD2-CE 3.94Å; L2602-M2624 HydrophobicContact CD2-SD 4.03Å; L2602-S2630 PolarHBondContact N-O 2.95Å; L2602-I2631 HydrophobicContact CB-CG1 4.49Å; L2602-I2631 HydrophobicContact CD2-CG1 4.44Å; L2602-I2631 HydrophobicContact CD2-CG2 4.35Å; L2602-H2632 PolarHBondContact O-N 3.14Å; L2602-H2632 VanDerWaalsContact O-N 3.12Å
2603	Y	36.2	Very low	35.5	Very low	85.6667 Å²	85.6667	91.1 Å²	91.1	34%	0.336	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.5	174.9	-68.8	-86.4	0	0	0	109.4	N2569 N2601 H2632	N2569-Y2603 HydrophobicContact CB-CD2 3.8Å; N2569-Y2603 HydrophobicContact CB-CE2 4.32Å; N2569-Y2603 HydrophobicContact CB-CG 4.43Å; N2569-Y2603 VanDerWaalsContact CG-CD2 3.48Å; N2569-Y2603 VanDerWaalsContact CG-CE2 3.48Å; N2569-Y2603 VanDerWaalsContact OD1-CE2 3.32Å; N2569-Y2603 WeakPolarHBondContact OD1-CE2 3.35Å; N2601-Y2603 HydrophobicContact CB-CD2 4.27Å; N2601-Y2603 HydrophobicContact CB-CE2 3.83Å; N2601-Y2603 PolarHBondContact ND2-OH 3.28Å; Y2603-H2632 CarbonylContact C-O 3.58Å; Y2603-H2632 HydrophobicContact CD1-CB 3.71Å; Y2603-H2632 VanDerWaalsContact CD1-CB 3.41Å; Y2603-H2632 AromaticContact CD1-CD2 3.96Å; Y2603-H2632 AromaticContact CD1-CG 3.78Å; Y2603-H2632 HydrophobicContact CE1-CB 3.71Å; Y2603-H2632 AromaticContact CE1-CD2 3.6Å; Y2603-H2632 WeakPolarHBondContact CE1-CD2 3.47Å; Y2603-H2632 AromaticContact CE1-CG 3.59Å; Y2603-H2632 AromaticContact CE1-ND1 3.97Å; Y2603-H2632 AromaticContact CE1-NE2 3.86Å; Y2603-H2632 HydrophobicContact CG-CB 4.24Å; Y2603-H2632 AromaticContact CZ-CD2 3.45Å; Y2603-H2632 VanDerWaalsContact CZ-CD2 3.45Å; Y2603-H2632 AromaticContact CZ-NE2 3.87Å; Y2603-H2632 PolarHBondContact OH-CD2 3.33Å; Y2603-H2632 PolarHBondContact OH-NE2 2.75Å
2604	V	39.6	Very low	35.4	Very low	11.3333 Å²	11.3333	92.3 Å²	92.3	7%	0.069	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	121	177.6	-177.8	0	0	0	0	108.3	I2590 L2602 V2606 L2622 M2624 H2632 F2633 T2634	I2590-V2604 HydrophobicContact CD1-CG1 4.14Å; L2602-V2604 HydrophobicContact CD2-CG2 3.88Å; L2602-V2604 HydrophobicContact CG-CG2 4.18Å; V2604-V2606 HydrophobicContact CG1-CG2 4.31Å; V2604-L2622 HydrophobicContact CG1-CD1 4.31Å; V2604-M2624 HydrophobicContact CG2-CE 3.79Å; V2604-H2632 PolarHBondContact N-O 3.44Å; V2604-F2633 HydrophobicContact CB-CD2 4.1Å; V2604-F2633 HydrophobicContact CB-CE1 4.43Å; V2604-F2633 HydrophobicContact CG1-CD2 3.96Å; V2604-F2633 HydrophobicContact CG1-CE1 4.41Å; V2604-F2633 HydrophobicContact CG1-CE2 4.11Å; V2604-T2634 PolarHBondContact O-N 3.42Å
2605	Q	34.4	Very low	35.3	Very low	42.6667 Å²	42.6667	93.1 Å²	93.1	20%	0.199	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119	179.5	-96	177.2	6	0	0	110	N2258 D2571 I2572 H2573 D2591 H2607 L2636	N2258-Q2605 PolarHBondContact ND2-NE2 2.89Å; D2571-Q2605 VanDerWaalsContact CG-NE2 3.28Å; D2571-Q2605 PolarHBondContact OD1-NE2 2.88Å; I2572-Q2605 CarbonylContact O-C 3.5Å; I2572-Q2605 PolarHBondContact O-N 3.29Å; H2573-Q2605 PolarHBondContact CE1-OE1 3.4Å; H2573-Q2605 VanDerWaalsContact CE1-OE1 3.3Å; H2573-Q2605 PolarHBondContact ND1-OE1 3.07Å; H2573-Q2605 VanDerWaalsContact ND1-OE1 3.15Å; D2591-Q2605 HydrophobicContact CB-CB 4.44Å; D2591-Q2605 PolarHBondContact N-O 3.05Å; D2591-Q2605 PolarHBondContact O-N 3.42Å; Q2605-H2607 PolarHBondContact NE2-NE2 3.21Å; Q2605-L2636 HydrophobicContact CB-CD1 3.92Å; Q2605-L2636 HydrophobicContact CG-CD1 4.25Å
2606	V	36.7	Very low	35.1	Very low	38.6667 Å²	38.6667	95 Å²	95	23%	0.234	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.1	-180	-178	0	0	0	0	109	F2576 I2588 V2604 F2618 L2622 F2633 T2634 M2635 L2636	F2576-V2606 HydrophobicContact CE2-CG1 4.25Å; I2588-V2606 HydrophobicContact CD1-CG1 4.42Å; V2604-V2606 HydrophobicContact CG1-CG2 4.31Å; V2606-F2618 HydrophobicContact CG1-CZ 4.36Å; V2606-L2622 HydrophobicContact CG2-CD1 4.12Å; V2606-F2633 HydrophobicContact CG2-CE2 4.01Å; V2606-F2633 HydrophobicContact CG2-CZ 3.96Å; V2606-T2634 PolarHBondContact N-O 3.47Å; V2606-M2635 HydrophobicContact CB-CG 4.04Å; V2606-M2635 HydrophobicContact CG1-CG 4.46Å; V2606-L2636 WeakPolarHBondContact O-CD1 3.1Å; V2606-L2636 PolarHBondContact O-N 3.36Å
2607	H	32.3	Very low	34.9	Very low	57 Å²	57	93.3 Å²	93.3	26%	0.264	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.2	176	-77.6	-83.4	0	0	0	110.5	H2573 V2574 D2589 D2591 Q2605 L2636	H2573-H2607 AromaticContact CE1-NE2 3.91Å; H2573-H2607 AromaticContact ND1-CD2 3.54Å; H2573-H2607 AromaticContact ND1-NE2 3.43Å; H2573-H2607 PolarHBondContact ND1-NE2 3.45Å; V2574-H2607 PolarHBondContact O-N 3.25Å; V2574-H2607 VanDerWaalsContact O-O 3.14Å; D2589-H2607 HydrophobicContact CB-CB 4.43Å; D2589-H2607 PolarHBondContact N-O 2.71Å; D2589-H2607 VanDerWaalsContact N-O 3.08Å; D2589-H2607 PolarHBondContact O-N 3.3Å; D2591-H2607 IonicContact OD2-CD2 2.81Å; Q2605-H2607 PolarHBondContact NE2-NE2 3.21Å; H2607-L2636 WeakPolarHBondContact CA-O 3.31Å
2608	A	34.5	Very low	34.8	Very low	49 Å²	49	89.7 Å²	89.7	41%	0.405	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	111	171.6	0	0	0	0	0	109.3	Y2610 L2636	A2608-Y2610 VanDerWaalsContact C-N 3.32Å; A2608-Y2610 PolarHBondContact O-N 3.31Å; A2608-L2636 PolarHBondContact N-O 2.96Å
2609	K	30.8	Very low	34.6	Very low	164.667 Å²	164.667	86.3 Å²	86.3	72%	0.716	43%	0.432	S	S	*	.			trans	-102.7	30.3	-177.2	-129.2	-174	178.7	-178.6	0	112.8
2610	Y	35.3	Very low	34.3	Very low	130.333 Å²	130.333	87.1 Å²	87.1	51%	0.511	44%	0.435	S	S	.	.	S	Bend	trans	-142.9	136	179.1	-87.1	-87.5	0	0	0	109.9	F2576 H2577 R2578 Y2586 A2608 P2612	F2576-Y2610 VanDerWaalsContact O-CD2 3.3Å; F2576-Y2610 WeakPolarHBondContact O-CD2 3.3Å; F2576-Y2610 WeakPolarHBondContact O-CE2 3.44Å; H2577-Y2610 AromaticContact ND1-CE2 3.82Å; H2577-Y2610 AromaticContact ND1-CZ 3.89Å; H2577-Y2610 PolarHBondContact ND1-OH 2.72Å; H2577-Y2610 VanDerWaalsContact ND1-OH 3.08Å; R2578-Y2610 HydrophobicContact CB-CG 4.45Å; Y2586-Y2610 HydrophobicContact CD1-CD2 4.26Å; Y2586-Y2610 AromaticContact CD1-CE2 3.53Å; Y2586-Y2610 HydrophobicContact CD1-CE2 3.53Å; Y2586-Y2610 HydrophobicContact CE1-CD2 4.41Å; Y2586-Y2610 AromaticContact CE1-CE2 3.38Å; Y2586-Y2610 HydrophobicContact CE1-CE2 3.38Å; Y2586-Y2610 AromaticContact CE1-CZ 3.7Å; Y2586-Y2610 WeakPolarHBondContact CE1-OH 3.5Å; Y2586-Y2610 PolarHBondContact OH-OH 2.89Å; A2608-Y2610 VanDerWaalsContact C-N 3.32Å; A2608-Y2610 PolarHBondContact O-N 3.31Å; Y2610-P2612 WeakPolarHBondContact O-CD 3.25Å
2611	D	32.2	Very low	34	Very low	120.667 Å²	120.667	84.4 Å²	84.4	65%	0.645	42%	0.423	S	S	*	.			trans	-78.2	130	175.8	-80.7	-66.8	0	0	0	111.4	L2613 L2639	D2611-L2613 HydrophobicContact CB-CD2 4.43Å; D2611-L2613 PolarHBondContact O-N 3.31Å; D2611-L2639 WeakPolarHBondContact OD1-CD2 3.48Å
2612	P	33.6	Very low	33.9	Very low	64 Å²	64	83.5 Å²	83.5	42%	0.416	42%	0.419	S	S	.	.			trans	-84.7	119.5	178.9	32.9	-29.5	0	0	0	110.3	Y2610 D2614 L2639	Y2610-P2612 WeakPolarHBondContact O-CD 3.25Å; P2612-D2614 PolarHBondContact O-N 2.97Å; P2612-L2639 VanDerWaalsContact CD-CD1 3.4Å; P2612-L2639 HydrophobicContact CG-CD1 4.33Å
2613	L	27.7	Very low	33.5	Very low	133.667 Å²	133.667	85.5 Å²	85.5	70%	0.7	43%	0.429	S	S	*	.	S	Bend	trans	-87.1	68.2	162.4	-87.2	166.7	0	0	0	111.7	R2578 D2611	R2578-L2613 VanDerWaalsContact NH2-CD1 3.3Å; D2611-L2613 HydrophobicContact CB-CD2 4.43Å; D2611-L2613 PolarHBondContact O-N 3.31Å
2614	D	32.9	Very low	33.6	Very low	104 Å²	104	82.5 Å²	82.5	56%	0.556	42%	0.418	S	S	*	.	S	Bend	trans	163.8	129	164.1	-84.6	-33.4	0	0	0	113.2	I2583 P2612 N2616 N2617	I2583-D2614 WeakPolarHBondContact CG2-OD2 3.45Å; P2612-D2614 PolarHBondContact O-N 2.97Å; D2614-N2616 VanDerWaalsContact C-N 3.27Å; D2614-N2616 PolarHBondContact O-N 3.29Å; D2614-N2617 HydrophobicContact CB-CB 4.11Å; D2614-N2617 VanDerWaalsContact CB-ND2 3.33Å; D2614-N2617 WeakPolarHBondContact CB-ND2 3.47Å; D2614-N2617 PolarHBondContact O-N 3.22Å; D2614-N2617 VanDerWaalsContact O-N 3.16Å
2615	Q	31.5	Very low	33.4	Very low	145.667 Å²	145.667	89.1 Å²	89.1	68%	0.681	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	38.6	-161.5	-58.8	-177.7	0.8	0	0	115.5	K2641 Q2643	Q2615-K2641 VanDerWaalsContact CG-O 3.3Å; Q2615-K2641 WeakPolarHBondContact CG-O 3.27Å; Q2615-Q2643 PolarHBondContact O-NE2 2.8Å
2616	N	30.9	Very low	33.6	Very low	121 Å²	121	88.8 Å²	88.8	65%	0.647	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.8	20.4	171.4	-57.8	-49.1	0	0	0	115.5	D2614 F2618	D2614-N2616 VanDerWaalsContact C-N 3.27Å; D2614-N2616 PolarHBondContact O-N 3.29Å; N2616-F2618 PolarHBondContact O-N 2.88Å; N2616-F2618 VanDerWaalsContact O-N 3.13Å
2617	N	32.7	Very low	33.7	Very low	78.6667 Å²	78.6667	91.7 Å²	91.7	42%	0.421	46%	0.46	S	S	.	.			trans	-100.3	37.5	-169.6	-64.6	-8.2	0	0	0	116.6	P2585 Y2586 D2614 I2619	P2585-N2617 WeakPolarHBondContact CA-O 3.42Å; Y2586-N2617 PolarHBondContact N-O 2.98Å; D2614-N2617 HydrophobicContact CB-CB 4.11Å; D2614-N2617 VanDerWaalsContact CB-ND2 3.33Å; D2614-N2617 WeakPolarHBondContact CB-ND2 3.47Å; D2614-N2617 PolarHBondContact O-N 3.22Å; D2614-N2617 VanDerWaalsContact O-N 3.16Å; N2617-I2619 PolarHBondContact O-N 3.46Å
2618	F	33.1	Very low	34.1	Very low	88.6667 Å²	88.6667	91.8 Å²	91.8	39%	0.389	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.1	172.7	-140.9	-93.4	0	0	0	112.1	I2588 V2606 N2616 T2620 M2635	I2588-F2618 HydrophobicContact CD1-CE1 4.39Å; I2588-F2618 HydrophobicContact CD1-CE2 3.96Å; I2588-F2618 HydrophobicContact CD1-CZ 3.54Å; V2606-F2618 HydrophobicContact CG1-CZ 4.36Å; N2616-F2618 PolarHBondContact O-N 2.88Å; N2616-F2618 VanDerWaalsContact O-N 3.13Å; F2618-T2620 HydrophobicContact CD1-CG2 4.31Å; F2618-T2620 HydrophobicContact CE1-CG2 3.79Å; F2618-T2620 HydrophobicContact CZ-CG2 4.1Å; F2618-M2635 HydrophobicContact CD1-CE 4.07Å; F2618-M2635 HydrophobicContact CE1-CE 3.53Å; F2618-M2635 HydrophobicContact CE1-SD 3.87Å; F2618-M2635 HydrophobicContact CZ-CE 4.19Å
2619	I	34.1	Very low	34.6	Very low	97.6667 Å²	97.6667	94.3 Å²	94.3	50%	0.501	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112.9	176.6	-59.1	175.8	0	0	0	108.9	Y2586 T2587 I2588 N2617 K2621 I2645	Y2586-I2619 PolarHBondContact O-N 3.45Å; T2587-I2619 WeakPolarHBondContact CA-O 3.33Å; I2588-I2619 PolarHBondContact N-O 3.43Å; N2617-I2619 PolarHBondContact O-N 3.46Å; I2619-K2621 PolarHBondContact O-N 2.97Å; I2619-I2645 HydrophobicContact CG2-CD1 3.68Å; I2619-I2645 HydrophobicContact CG2-CG1 4.21Å
2620	T	33	Very low	35.3	Very low	49.6667 Å²	49.6667	87.2 Å²	87.2	31%	0.305	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.6	171.9	37.9	0	0	0	0	110.2	I2588 F2618 F2633 L2647	I2588-T2620 HydrophobicContact CB-CG2 4.25Å; I2588-T2620 HydrophobicContact CD1-CG2 3.88Å; I2588-T2620 HydrophobicContact CG1-CG2 4.44Å; F2618-T2620 HydrophobicContact CD1-CG2 4.31Å; F2618-T2620 HydrophobicContact CE1-CG2 3.79Å; F2618-T2620 HydrophobicContact CZ-CG2 4.1Å; T2620-F2633 HydrophobicContact CG2-CZ 4.06Å; T2620-L2647 PolarHBondContact O-N 2.73Å; T2620-L2647 VanDerWaalsContact O-N 3.12Å
2621	K	32.8	Very low	35.7	Very low	108.667 Å²	108.667	81.4 Å²	81.4	47%	0.472	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.7	179.8	-168.9	-177.5	-174.8	-179.9	0	109.5	I2588 D2589 I2590 I2619 I2623 I2645 L2647	I2588-K2621 PolarHBondContact O-N 2.95Å; D2589-K2621 WeakPolarHBondContact OD1-CD 3.39Å; D2589-K2621 IonicContact OD1-NZ 2.72Å; D2589-K2621 IonicContact OD2-NZ 3.97Å; I2590-K2621 PolarHBondContact N-O 3.49Å; I2590-K2621 VanDerWaalsContact N-O 3.09Å; I2619-K2621 PolarHBondContact O-N 2.97Å; K2621-I2623 HydrophobicContact CD-CD1 4.13Å; K2621-I2623 HydrophobicContact CD-CG1 4.33Å; K2621-I2623 HydrophobicContact CG-CG1 4.28Å; K2621-I2645 HydrophobicContact CG-CB 4.24Å; K2621-I2645 HydrophobicContact CG-CG2 4.22Å; K2621-L2647 HydrophobicContact CD-CD1 4.49Å; K2621-L2647 HydrophobicContact CG-CD1 4.46Å
2622	L	37.5	Very low	36.1	Very low	40.3333 Å²	40.3333	77.3 Å²	77.3	21%	0.211	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.3	-178.6	-160.6	119.3	0	0	0	110.1	I2590 V2604 V2606 M2624 I2631 F2633 I2645 L2647 L2648	I2590-L2622 HydrophobicContact CB-CD1 4.21Å; I2590-L2622 HydrophobicContact CD1-CD1 4.48Å; I2590-L2622 HydrophobicContact CG2-CD1 4.3Å; V2604-L2622 HydrophobicContact CG1-CD1 4.31Å; V2606-L2622 HydrophobicContact CG2-CD1 4.12Å; L2622-M2624 HydrophobicContact CD2-CB 4.41Å; L2622-M2624 HydrophobicContact CD2-CG 3.68Å; L2622-M2624 VanDerWaalsContact CD2-CG 3.49Å; L2622-M2624 HydrophobicContact CD2-SD 3.86Å; L2622-M2624 HydrophobicContact CG-CG 3.91Å; L2622-I2631 HydrophobicContact CD2-CG2 4.04Å; L2622-F2633 HydrophobicContact CD1-CE1 4.06Å; L2622-F2633 HydrophobicContact CD1-CZ 3.7Å; L2622-F2633 HydrophobicContact CD2-CE1 4.18Å; L2622-F2633 HydrophobicContact CD2-CE2 4.38Å; L2622-F2633 HydrophobicContact CD2-CZ 3.94Å; L2622-F2633 HydrophobicContact CG-CZ 4.15Å; L2622-I2645 PolarHBondContact N-O 2.78Å; L2622-L2647 PolarHBondContact N-O 3.03Å; L2622-L2647 PolarHBondContact O-N 2.89Å; L2622-L2648 HydrophobicContact CB-CD2 4.26Å; L2622-L2648 HydrophobicContact CD2-CD2 3.79Å
2623	I	32.6	Very low	36.6	Very low	62.6667 Å²	62.6667	75.4 Å²	75.4	32%	0.321	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.4	-175.9	-51.9	-179.1	0	0	0	108.6	D2589 I2590 D2591 I2592 K2621 L2647	D2589-I2623 HydrophobicContact CB-CD1 4.43Å; I2590-I2623 PolarHBondContact O-N 3.02Å; D2591-I2623 WeakPolarHBondContact OD1-CG2 3.34Å; I2592-I2623 PolarHBondContact N-O 3.22Å; K2621-I2623 HydrophobicContact CD-CD1 4.13Å; K2621-I2623 HydrophobicContact CD-CG1 4.33Å; K2621-I2623 HydrophobicContact CG-CG1 4.28Å; I2623-L2647 HydrophobicContact CB-CB 4.32Å; I2623-L2647 HydrophobicContact CD1-CD1 3.99Å; I2623-L2647 HydrophobicContact CG1-CB 4.17Å; I2623-L2647 HydrophobicContact CG1-CD1 3.88Å; I2623-L2647 HydrophobicContact CG2-CB 3.92Å
2624	M	36.9	Very low	37.1	Very low	23.6667 Å²	23.6667	70.6 Å²	70.6	12%	0.117	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.4	-179.4	-79.5	-74.4	-79.7	0	0	110.6	I2592 L2602 V2604 L2622 N2626 I2631 L2647 S2650 N2651	I2592-M2624 HydrophobicContact CB-SD 4.06Å; I2592-M2624 HydrophobicContact CD1-SD 4Å; I2592-M2624 HydrophobicContact CG1-SD 4.25Å; I2592-M2624 HydrophobicContact CG2-SD 4.04Å; L2602-M2624 HydrophobicContact CD1-CE 4.07Å; L2602-M2624 HydrophobicContact CD2-CE 3.94Å; L2602-M2624 HydrophobicContact CD2-SD 4.03Å; V2604-M2624 HydrophobicContact CG2-CE 3.79Å; L2622-M2624 HydrophobicContact CD2-CB 4.41Å; L2622-M2624 HydrophobicContact CD2-CG 3.68Å; L2622-M2624 VanDerWaalsContact CD2-CG 3.49Å; L2622-M2624 HydrophobicContact CD2-SD 3.86Å; L2622-M2624 HydrophobicContact CG-CG 3.91Å; M2624-N2626 HydrophobicContact CE-CB 3.95Å; M2624-I2631 HydrophobicContact CE-CD1 3.72Å; M2624-I2631 HydrophobicContact CE-CG1 4.13Å; M2624-I2631 HydrophobicContact CG-CD1 4.39Å; M2624-L2647 PolarHBondContact N-O 2.97Å; M2624-S2650 WeakPolarHBondContact O-CA 3.43Å; M2624-N2651 PolarHBondContact O-N 3.06Å
2625	K	36.6	Very low	37.5	Very low	150.333 Å²	150.333	67.4 Å²	67.4	65%	0.654	33%	0.33	S	S	*	.			trans	-110	97.6	163.2	-77.9	-177.3	178.4	173.3	0	108.2	N2593 N2649	N2593-K2625 PolarHBondContact OD1-NZ 2.74Å; K2625-N2649 HydrophobicContact CG-CB 4.17Å
2626	N	38.9	Very low	37.9	Very low	36.6667 Å²	36.6667	63 Å²	63	20%	0.196	31%	0.311	C	S	.	.			trans	-156.8	141.2	176.1	-133.8	-0.5	0	0	0	110.9	M2595 M2624 K2628	M2595-N2626 PolarHBondContact N-ND2 2.95Å; M2595-N2626 PolarHBondContact O-ND2 2.99Å; M2624-N2626 HydrophobicContact CE-CB 3.95Å; N2626-K2628 PolarHBondContact O-N 3.02Å; N2626-K2628 PolarHBondContact OD1-N 3.48Å
2627	D	38.4	Very low	38.3	Very low	98.3333 Å²	98.3333	58.5 Å²	58.5	53%	0.526	29%	0.289	S	S	.	.			trans	-85.1	79.2	179	-62	-42.2	0	0	0	111.3	I2652 S2653	D2627-I2652 HydrophobicContact CB-CD1 3.73Å; D2627-S2653 WeakPolarHBondContact OD1-CA 3.44Å; D2627-S2653 WeakPolarHBondContact OD1-CB 3.4Å; D2627-S2653 PolarHBondContact OD1-N 3.26Å; D2627-S2653 PolarHBondContact OD1-OG 3.33Å
2628	K	39.8	Very low	38.4	Very low	58.6667 Å²	58.6667	58.5 Å²	58.5	26%	0.255	29%	0.29	S	S	.	.	S	Bend	trans	-114.2	150.8	-176.5	-61.8	162.3	176.3	-178.7	0	114.4	N2596 E2597 S2599 K2600 N2626 S2630 N2657	N2596-K2628 VanDerWaalsContact O-CE 3.23Å; N2596-K2628 WeakPolarHBondContact O-CE 3.4Å; N2596-K2628 PolarHBondContact O-NZ 2.87Å; E2597-K2628 IonicContact OE1-NZ 2.71Å; E2597-K2628 PolarHBondContact OE1-NZ 2.99Å; E2597-K2628 IonicContact OE2-NZ 2.68Å; E2597-K2628 PolarHBondContact OE2-NZ 2.94Å; S2599-K2628 WeakPolarHBondContact O-CD 3.12Å; S2599-K2628 WeakPolarHBondContact O-CE 3.5Å; S2599-K2628 PolarHBondContact O-NZ 2.89Å; S2599-K2628 PolarHBondContact OG-NZ 3.16Å; K2600-K2628 VanDerWaalsContact O-CD 3.29Å; K2600-K2628 WeakPolarHBondContact O-CD 3.3Å; N2626-K2628 PolarHBondContact O-N 3.02Å; N2626-K2628 PolarHBondContact OD1-N 3.48Å; K2628-S2630 VanDerWaalsContact C-N 3.31Å; K2628-S2630 PolarHBondContact O-N 2.91Å; K2628-N2657 WeakPolarHBondContact CA-OD1 3.44Å; K2628-N2657 WeakPolarHBondContact O-CB 3.39Å; K2628-N2657 PolarHBondContact O-ND2 2.94Å; K2628-N2657 PolarHBondContact O-OD1 2.85Å; K2628-N2657 VanDerWaalsContact O-OD1 3.09Å
2629	K	46	Very low	38.5	Very low	102.667 Å²	102.667	58.9 Å²	58.9	45%	0.446	30%	0.295	S	S	.	.	S	Bend	trans	-53.6	-25.8	-175.8	-58.3	176.5	173.9	-160.6	0	117	E2597 S2599 K2600 N2656 N2657 E2658	E2597-K2629 VanDerWaalsContact C-NZ 3.34Å; E2597-K2629 VanDerWaalsContact O-CE 3.24Å; E2597-K2629 WeakPolarHBondContact O-CE 3.24Å; E2597-K2629 PolarHBondContact O-NZ 3.24Å; S2599-K2629 WeakPolarHBondContact O-CD 3.32Å; S2599-K2629 WeakPolarHBondContact O-CE 3.28Å; S2599-K2629 PolarHBondContact O-NZ 2.78Å; K2600-K2629 PolarHBondContact O-N 3.11Å; K2629-N2656 CarbonylContact C-O 3.55Å; K2629-N2656 WeakPolarHBondContact CA-O 3.39Å; K2629-N2656 HydrophobicContact CB-CB 4.33Å; K2629-N2656 HydrophobicContact CD-CB 3.8Å; K2629-N2656 HydrophobicContact CG-CB 3.78Å; K2629-N2656 PolarHBondContact NZ-OD1 3.41Å; K2629-N2657 PolarHBondContact N-OD1 3.48Å; K2629-N2657 VanDerWaalsContact N-OD1 3.07Å; K2629-N2657 WeakPolarHBondContact O-CA 3.35Å; K2629-N2657 WeakPolarHBondContact O-CB 3.05Å; K2629-N2657 PolarHBondContact O-OD1 3.47Å; K2629-E2658 PolarHBondContact O-N 3.27Å
2630	S	44.6	Very low	38.6	Very low	15.6667 Å²	15.6667	59.4 Å²	59.4	11%	0.11	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.2	177.1	48.1	0	0	0	0	113.3	K2600 N2601 L2602 K2628 E2658	K2600-S2630 PolarHBondContact O-N 2.92Å; K2600-S2630 PolarHBondContact O-OG 3.23Å; N2601-S2630 CarbonylContact C-O 3.49Å; N2601-S2630 WeakPolarHBondContact CA-OG 3.11Å; N2601-S2630 VanDerWaalsContact CB-OG 3.26Å; N2601-S2630 WeakPolarHBondContact CB-OG 3.34Å; N2601-S2630 PolarHBondContact ND2-OG 2.99Å; N2601-S2630 PolarHBondContact OD1-OG 3.39Å; N2601-S2630 VanDerWaalsContact OD1-OG 3.1Å; L2602-S2630 PolarHBondContact N-O 2.95Å; K2628-S2630 VanDerWaalsContact C-N 3.31Å; K2628-S2630 PolarHBondContact O-N 2.91Å; S2630-E2658 CarbonylContact C-O 3.58Å; S2630-E2658 VanDerWaalsContact CA-O 3.28Å; S2630-E2658 WeakPolarHBondContact CA-O 3.43Å; S2630-E2658 WeakPolarHBondContact CB-O 3.37Å
2631	I	43.3	Very low	38.8	Very low	8 Å²	8	63.5 Å²	63.5	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.8	176.3	-60.6	168.7	0	0	0	107.8	L2602 L2622 M2624 F2633 L2648 I2652 E2658 I2659 Y2660	L2602-I2631 HydrophobicContact CB-CG1 4.49Å; L2602-I2631 HydrophobicContact CD2-CG1 4.44Å; L2602-I2631 HydrophobicContact CD2-CG2 4.35Å; L2622-I2631 HydrophobicContact CD2-CG2 4.04Å; M2624-I2631 HydrophobicContact CE-CD1 3.72Å; M2624-I2631 HydrophobicContact CE-CG1 4.13Å; M2624-I2631 HydrophobicContact CG-CD1 4.39Å; I2631-F2633 HydrophobicContact CG2-CD2 3.85Å; I2631-F2633 HydrophobicContact CG2-CE2 3.52Å; I2631-F2633 VanDerWaalsContact CG2-CE2 3.49Å; I2631-F2633 HydrophobicContact CG2-CZ 4.26Å; I2631-F2633 PolarHBondContact O-N 2.76Å; I2631-L2648 HydrophobicContact CD1-CD2 3.42Å; I2631-L2648 VanDerWaalsContact CD1-CD2 3.42Å; I2631-I2652 HydrophobicContact CD1-CD1 4.17Å; I2631-E2658 PolarHBondContact N-O 3.23Å; I2631-E2658 VanDerWaalsContact N-O 3.1Å; I2631-I2659 HydrophobicContact CB-CG1 4.43Å; I2631-I2659 HydrophobicContact CB-CG2 4.44Å; I2631-I2659 HydrophobicContact CD1-CG1 4.37Å; I2631-I2659 WeakPolarHBondContact O-CA 3.17Å; I2631-Y2660 PolarHBondContact O-N 3.25Å
2632	H	41.3	Very low	38.8	Very low	33.6667 Å²	33.6667	60.9 Å²	60.9	16%	0.156	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.6	174.9	-95.9	-84.7	0	0	0	109.7	L2602 Y2603 V2604 Y2660 D2662	L2602-H2632 PolarHBondContact O-N 3.14Å; L2602-H2632 VanDerWaalsContact O-N 3.12Å; Y2603-H2632 CarbonylContact C-O 3.58Å; Y2603-H2632 HydrophobicContact CD1-CB 3.71Å; Y2603-H2632 VanDerWaalsContact CD1-CB 3.41Å; Y2603-H2632 AromaticContact CD1-CD2 3.96Å; Y2603-H2632 AromaticContact CD1-CG 3.78Å; Y2603-H2632 HydrophobicContact CE1-CB 3.71Å; Y2603-H2632 AromaticContact CE1-CD2 3.6Å; Y2603-H2632 WeakPolarHBondContact CE1-CD2 3.47Å; Y2603-H2632 AromaticContact CE1-CG 3.59Å; Y2603-H2632 AromaticContact CE1-ND1 3.97Å; Y2603-H2632 AromaticContact CE1-NE2 3.86Å; Y2603-H2632 HydrophobicContact CG-CB 4.24Å; Y2603-H2632 AromaticContact CZ-CD2 3.45Å; Y2603-H2632 VanDerWaalsContact CZ-CD2 3.45Å; Y2603-H2632 AromaticContact CZ-NE2 3.87Å; Y2603-H2632 PolarHBondContact OH-CD2 3.33Å; Y2603-H2632 PolarHBondContact OH-NE2 2.75Å; V2604-H2632 PolarHBondContact N-O 3.44Å; H2632-Y2660 AromaticContact CD2-CD2 3.87Å; H2632-Y2660 AromaticContact CD2-CG 3.9Å; H2632-Y2660 AromaticContact CE1-CD1 3.82Å; H2632-Y2660 AromaticContact CE1-CD2 3.4Å; H2632-Y2660 WeakPolarHBondContact CE1-CD2 3.4Å; H2632-Y2660 AromaticContact CE1-CE2 3.7Å; H2632-Y2660 AromaticContact CE1-CG 3.45Å; H2632-Y2660 VanDerWaalsContact ND1-CB 3.3Å; H2632-Y2660 WeakPolarHBondContact ND1-CB 3.23Å; H2632-Y2660 AromaticContact ND1-CD2 3.66Å; H2632-Y2660 AromaticContact ND1-CG 3.65Å; H2632-Y2660 AromaticContact NE2-CD2 3.51Å; H2632-Y2660 WeakPolarHBondContact NE2-CD2 2.99Å; H2632-Y2660 AromaticContact NE2-CE2 3.86Å; H2632-Y2660 AromaticContact NE2-CG 3.86Å; H2632-D2662 IonicContact CE1-OD2 2.66Å; H2632-D2662 PolarHBondContact CE1-OD2 3.17Å
2633	F	43.5	Very low	38.6	Very low	25.6667 Å²	25.6667	63.1 Å²	63.1	11%	0.113	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.6	172.6	-108.2	-83.9	0	0	0	109.6	V2604 V2606 T2620 L2622 I2631 M2635 I2659 Y2660 I2661 D2662	V2604-F2633 HydrophobicContact CB-CD2 4.1Å; V2604-F2633 HydrophobicContact CB-CE1 4.43Å; V2604-F2633 HydrophobicContact CG1-CD2 3.96Å; V2604-F2633 HydrophobicContact CG1-CE1 4.41Å; V2604-F2633 HydrophobicContact CG1-CE2 4.11Å; V2606-F2633 HydrophobicContact CG2-CE2 4.01Å; V2606-F2633 HydrophobicContact CG2-CZ 3.96Å; T2620-F2633 HydrophobicContact CG2-CZ 4.06Å; L2622-F2633 HydrophobicContact CD1-CE1 4.06Å; L2622-F2633 HydrophobicContact CD1-CZ 3.7Å; L2622-F2633 HydrophobicContact CD2-CE1 4.18Å; L2622-F2633 HydrophobicContact CD2-CE2 4.38Å; L2622-F2633 HydrophobicContact CD2-CZ 3.94Å; L2622-F2633 HydrophobicContact CG-CZ 4.15Å; I2631-F2633 HydrophobicContact CG2-CD2 3.85Å; I2631-F2633 HydrophobicContact CG2-CE2 3.52Å; I2631-F2633 VanDerWaalsContact CG2-CE2 3.49Å; I2631-F2633 HydrophobicContact CG2-CZ 4.26Å; I2631-F2633 PolarHBondContact O-N 2.76Å; F2633-M2635 HydrophobicContact CE1-CG 3.84Å; F2633-M2635 HydrophobicContact CE1-SD 4.25Å; F2633-M2635 HydrophobicContact CZ-CG 4.36Å; F2633-I2659 HydrophobicContact CD2-CG2 4.07Å; F2633-I2659 HydrophobicContact CE2-CG2 4.45Å; F2633-Y2660 PolarHBondContact N-O 3.19Å; F2633-I2661 HydrophobicContact CB-CG1 4.4Å; F2633-I2661 HydrophobicContact CD1-CG2 4.48Å; F2633-I2661 WeakPolarHBondContact O-CA 3.37Å; F2633-D2662 PolarHBondContact O-N 3.17Å
2634	T	38.9	Very low	38.6	Very low	31.6667 Å²	31.6667	62.2 Å²	62.2	19%	0.194	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.6	175.8	-24.7	0	0	0	0	108.8	V2604 V2606 L2636 D2662 L2664	V2604-T2634 PolarHBondContact O-N 3.42Å; V2606-T2634 PolarHBondContact N-O 3.47Å; T2634-L2636 HydrophobicContact CG2-CD1 4.32Å; T2634-L2636 HydrophobicContact CG2-CD2 4.32Å; T2634-L2636 HydrophobicContact CG2-CG 4.33Å; T2634-L2636 WeakPolarHBondContact O-CD1 2.89Å; T2634-D2662 WeakPolarHBondContact CA-O 3.41Å; T2634-D2662 HydrophobicContact CG2-CB 4.13Å; T2634-L2664 HydrophobicContact CG2-CD1 3.62Å; T2634-L2664 VanDerWaalsContact CG2-CD1 3.42Å; T2634-L2664 HydrophobicContact CG2-CD2 4.03Å; T2634-L2664 HydrophobicContact CG2-CG 4.18Å
2635	M	41.4	Very low	38.2	Very low	36.6667 Å²	36.6667	65.3 Å²	65.3	18%	0.181	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.8	173	-80.1	-162.9	73.2	0	0	110.5	V2606 F2618 F2633 V2644 D2662 Y2663 L2664	V2606-M2635 HydrophobicContact CB-CG 4.04Å; V2606-M2635 HydrophobicContact CG1-CG 4.46Å; F2618-M2635 HydrophobicContact CD1-CE 4.07Å; F2618-M2635 HydrophobicContact CE1-CE 3.53Å; F2618-M2635 HydrophobicContact CE1-SD 3.87Å; F2618-M2635 HydrophobicContact CZ-CE 4.19Å; F2633-M2635 HydrophobicContact CE1-CG 3.84Å; F2633-M2635 HydrophobicContact CE1-SD 4.25Å; F2633-M2635 HydrophobicContact CZ-CG 4.36Å; M2635-V2644 HydrophobicContact CE-CG2 3.86Å; M2635-V2644 HydrophobicContact SD-CB 4.4Å; M2635-V2644 HydrophobicContact SD-CG1 3.91Å; M2635-V2644 HydrophobicContact SD-CG2 3.68Å; M2635-V2644 VanDerWaalsContact SD-CG2 3.6Å; M2635-D2662 PolarHBondContact N-O 3Å; M2635-D2662 VanDerWaalsContact N-O 3.1Å; M2635-Y2663 HydrophobicContact CB-CD2 4.27Å; M2635-L2664 WeakPolarHBondContact O-CB 3.12Å; M2635-L2664 WeakPolarHBondContact O-CG 3.29Å; M2635-L2664 PolarHBondContact O-N 3.09Å
2636	L	38.7	Very low	38.1	Very low	53 Å²	53	59.8 Å²	59.8	28%	0.277	31%	0.307	S	S	.	.			trans	-104.4	77.3	-178.1	-70	154	0	0	0	109.8	N2258 N2259 Q2605 V2606 H2607 A2608 T2634 L2664	N2258-L2636 HydrophobicContact CB-CD2 3.81Å; N2258-L2636 WeakPolarHBondContact OD1-CD2 3.25Å; N2259-L2636 PolarHBondContact ND2-O 2.92Å; N2259-L2636 WeakPolarHBondContact OD1-CA 3.46Å; N2259-L2636 WeakPolarHBondContact OD1-CB 3.46Å; N2259-L2636 WeakPolarHBondContact OD1-CD2 3.4Å; N2259-L2636 PolarHBondContact OD1-O 2.97Å; Q2605-L2636 HydrophobicContact CB-CD1 3.92Å; Q2605-L2636 HydrophobicContact CG-CD1 4.25Å; V2606-L2636 WeakPolarHBondContact O-CD1 3.1Å; V2606-L2636 PolarHBondContact O-N 3.36Å; H2607-L2636 WeakPolarHBondContact CA-O 3.31Å; A2608-L2636 PolarHBondContact N-O 2.96Å; T2634-L2636 HydrophobicContact CG2-CD1 4.32Å; T2634-L2636 HydrophobicContact CG2-CD2 4.32Å; T2634-L2636 HydrophobicContact CG2-CG 4.33Å; T2634-L2636 WeakPolarHBondContact O-CD1 2.89Å; L2636-L2664 HydrophobicContact CD2-CB 3.6Å; L2636-L2664 HydrophobicContact CD2-CD1 3.84Å; L2636-L2664 HydrophobicContact CD2-CG 4.39Å; L2636-L2664 HydrophobicContact CG-CB 4.23Å; L2636-L2664 HydrophobicContact CG-CD1 4.18Å
2637	S	40	Very low	37.7	Very low	27.3333 Å²	27.3333	62.3 Å²	62.3	19%	0.191	32%	0.32	C	S	.	.			trans	-152	124	177.4	149	0	0	0	0	110.3	L2639 L2664 S2665	S2637-L2639 VanDerWaalsContact C-N 3.27Å; S2637-L2639 PolarHBondContact O-N 3.01Å; S2637-L2639 WeakPolarHBondContact OG-CG 3.42Å; S2637-L2639 PolarHBondContact OG-N 3Å; S2637-L2664 PolarHBondContact N-O 3.5Å; S2637-S2665 VanDerWaalsContact O-CA 3.25Å; S2637-S2665 WeakPolarHBondContact O-CA 3.15Å; S2637-S2665 WeakPolarHBondContact O-CB 3.26Å
2638	D	35.4	Very low	37.6	Very low	79.6667 Å²	79.6667	60.3 Å²	60.3	43%	0.426	31%	0.309	S	S	.	.	S	Bend	trans	-79.5	6.4	-176.6	-87.3	-17.4	0	0	0	113.1	K2641 Y2663 S2665 E2666	D2638-K2641 WeakPolarHBondContact O-CG 3.47Å; D2638-K2641 PolarHBondContact O-NZ 3.18Å; D2638-K2641 WeakPolarHBondContact OD1-CE 3.07Å; D2638-K2641 IonicContact OD1-NZ 3.79Å; D2638-K2641 PolarHBondContact OD1-NZ 2.75Å; D2638-K2641 IonicContact OD2-NZ 2.84Å; D2638-K2641 PolarHBondContact OD2-NZ 2.77Å; D2638-Y2663 WeakPolarHBondContact CA-OH 3.05Å; D2638-Y2663 PolarHBondContact O-OH 3Å; D2638-Y2663 WeakPolarHBondContact OD1-CE1 3.5Å; D2638-Y2663 PolarHBondContact OD1-OH 3.33Å; D2638-Y2663 VanDerWaalsContact OD1-OH 3.1Å; D2638-S2665 VanDerWaalsContact CG-CA 3.45Å; D2638-S2665 WeakPolarHBondContact OD1-CA 3.4Å; D2638-S2665 WeakPolarHBondContact OD1-CB 3.39Å; D2638-E2666 HydrophobicContact CB-CG 4.45Å; D2638-E2666 PolarHBondContact OD2-N 3.08Å
2639	L	35.2	Very low	37.3	Very low	95.6667 Å²	95.6667	62.4 Å²	62.4	50%	0.501	32%	0.323	S	S	.	.	S	Bend	trans	-109	86.7	-170.4	-63.5	173.8	0	0	0	113	D2611 P2612 S2637 K2641 Y2663 S2665	D2611-L2639 WeakPolarHBondContact OD1-CD2 3.48Å; P2612-L2639 VanDerWaalsContact CD-CD1 3.4Å; P2612-L2639 HydrophobicContact CG-CD1 4.33Å; S2637-L2639 VanDerWaalsContact C-N 3.27Å; S2637-L2639 PolarHBondContact O-N 3.01Å; S2637-L2639 WeakPolarHBondContact OG-CG 3.42Å; S2637-L2639 PolarHBondContact OG-N 3Å; L2639-K2641 VanDerWaalsContact C-N 3.33Å; L2639-K2641 PolarHBondContact O-N 2.83Å; L2639-Y2663 PolarHBondContact O-OH 3.25Å; L2639-S2665 WeakPolarHBondContact O-CB 3.18Å
2640	H	36.6	Very low	36.5	Very low	108 Å²	108	59.9 Å²	59.9	50%	0.5	32%	0.319	S	S	.	.			trans	-50.4	49.8	174	-70.1	-63.5	0	0	0	117.7	S2642 Q2643 E2666	H2640-S2642 PolarHBondContact O-N 2.83Å; H2640-Q2643 PolarHBondContact ND1-OE1 2.82Å; H2640-Q2643 PolarHBondContact O-N 2.94Å; H2640-E2666 PolarHBondContact CE1-O 3.28Å; H2640-E2666 VanDerWaalsContact CE1-O 3.27Å
2641	K	35.4	Very low	35.9	Very low	136 Å²	136	65.4 Å²	65.4	59%	0.591	35%	0.347	S	S	*	.			trans	-75.1	56.2	170.5	-61.3	-174	179	151.4	0	115.4	Q2615 D2638 L2639 E2686	Q2615-K2641 VanDerWaalsContact CG-O 3.3Å; Q2615-K2641 WeakPolarHBondContact CG-O 3.27Å; D2638-K2641 WeakPolarHBondContact O-CG 3.47Å; D2638-K2641 PolarHBondContact O-NZ 3.18Å; D2638-K2641 WeakPolarHBondContact OD1-CE 3.07Å; D2638-K2641 IonicContact OD1-NZ 3.79Å; D2638-K2641 PolarHBondContact OD1-NZ 2.75Å; D2638-K2641 IonicContact OD2-NZ 2.84Å; D2638-K2641 PolarHBondContact OD2-NZ 2.77Å; L2639-K2641 VanDerWaalsContact C-N 3.33Å; L2639-K2641 PolarHBondContact O-N 2.83Å; K2641-E2686 WeakPolarHBondContact CD-OE1 3.48Å; K2641-E2686 VanDerWaalsContact CG-OE1 3.27Å; K2641-E2686 WeakPolarHBondContact CG-OE1 3.24Å
2642	S	32.8	Very low	35.4	Very low	53.6667 Å²	53.6667	68.7 Å²	68.7	38%	0.375	36%	0.364	S	S	.	.			trans	-130	117.1	171.1	58.4	0	0	0	0	113	H2640 V2644 Y2663	H2640-S2642 PolarHBondContact O-N 2.83Å; S2642-V2644 PolarHBondContact O-N 2.84Å; S2642-Y2663 VanDerWaalsContact OG-CE2 3.23Å; S2642-Y2663 WeakPolarHBondContact OG-CE2 3.37Å; S2642-Y2663 PolarHBondContact OG-OH 3.08Å
2643	Q	33.4	Very low	34.8	Very low	86.6667 Å²	86.6667	72 Å²	72	41%	0.405	39%	0.391	S	S	.	.			trans	-96.3	81.6	179.9	-72.1	-175.5	-4	0	0	111.5	Q2615 H2640 I2645	Q2615-Q2643 PolarHBondContact O-NE2 2.8Å; H2640-Q2643 PolarHBondContact ND1-OE1 2.82Å; H2640-Q2643 PolarHBondContact O-N 2.94Å; Q2643-I2645 PolarHBondContact O-N 3.12Å
2644	V	32.9	Very low	34.3	Very low	45.3333 Å²	45.3333	72.9 Å²	72.9	28%	0.275	40%	0.4	S	S	.	.			trans	-90.4	93.7	178.2	-175.9	0	0	0	0	109.9	M2635 S2642 S2646 Y2663 I2685	M2635-V2644 HydrophobicContact CE-CG2 3.86Å; M2635-V2644 HydrophobicContact SD-CB 4.4Å; M2635-V2644 HydrophobicContact SD-CG1 3.91Å; M2635-V2644 HydrophobicContact SD-CG2 3.68Å; M2635-V2644 VanDerWaalsContact SD-CG2 3.6Å; S2642-V2644 PolarHBondContact O-N 2.84Å; V2644-S2646 VanDerWaalsContact C-N 3.3Å; V2644-S2646 PolarHBondContact O-N 2.81Å; V2644-Y2663 HydrophobicContact CG2-CD2 3.82Å; V2644-Y2663 HydrophobicContact CG2-CE2 3.8Å; V2644-I2685 HydrophobicContact CG2-CD1 3.96Å
2645	I	29.7	Very low	34.1	Very low	87 Å²	87	77.8 Å²	77.8	45%	0.446	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	91.1	167.8	-54.7	-178.5	0	0	0	107.7	I2619 K2621 L2622 Q2643 L2647 T2682	I2619-I2645 HydrophobicContact CG2-CD1 3.68Å; I2619-I2645 HydrophobicContact CG2-CG1 4.21Å; K2621-I2645 HydrophobicContact CG-CB 4.24Å; K2621-I2645 HydrophobicContact CG-CG2 4.22Å; L2622-I2645 PolarHBondContact N-O 2.78Å; Q2643-I2645 PolarHBondContact O-N 3.12Å; I2645-L2647 HydrophobicContact CG2-CD1 3.98Å; I2645-L2647 HydrophobicContact CG2-CG 4.13Å; I2645-L2647 PolarHBondContact O-N 3.14Å; I2645-T2682 HydrophobicContact CB-CG2 4.36Å; I2645-T2682 HydrophobicContact CD1-CG2 4.11Å; I2645-T2682 HydrophobicContact CG1-CG2 3.97Å; I2645-T2682 HydrophobicContact CG2-CG2 3.85Å
2646	S	33.5	Very low	34.2	Very low	35.3333 Å²	35.3333	80.4 Å²	80.4	25%	0.247	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	99.8	171	94.3	0	0	0	0	109.6	V2644 L2648	V2644-S2646 VanDerWaalsContact C-N 3.3Å; V2644-S2646 PolarHBondContact O-N 2.81Å; S2646-L2648 PolarHBondContact O-N 3.22Å; S2646-L2648 VanDerWaalsContact O-N 3.12Å
2647	L	31.6	Very low	34.3	Very low	90 Å²	90	78.8 Å²	78.8	47%	0.471	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	93.7	170.2	-89.3	155.7	0	0	0	109.1	T2620 K2621 L2622 I2623 M2624 I2645 N2649 N2680	T2620-L2647 PolarHBondContact O-N 2.73Å; T2620-L2647 VanDerWaalsContact O-N 3.12Å; K2621-L2647 HydrophobicContact CD-CD1 4.49Å; K2621-L2647 HydrophobicContact CG-CD1 4.46Å; L2622-L2647 PolarHBondContact N-O 3.03Å; L2622-L2647 PolarHBondContact O-N 2.89Å; I2623-L2647 HydrophobicContact CB-CB 4.32Å; I2623-L2647 HydrophobicContact CD1-CD1 3.99Å; I2623-L2647 HydrophobicContact CG1-CB 4.17Å; I2623-L2647 HydrophobicContact CG1-CD1 3.88Å; I2623-L2647 HydrophobicContact CG2-CB 3.92Å; M2624-L2647 PolarHBondContact N-O 2.97Å; I2645-L2647 HydrophobicContact CG2-CD1 3.98Å; I2645-L2647 HydrophobicContact CG2-CG 4.13Å; I2645-L2647 PolarHBondContact O-N 3.14Å; L2647-N2649 VanDerWaalsContact C-N 3.27Å; L2647-N2649 PolarHBondContact O-N 3Å; L2647-N2680 HydrophobicContact CD2-CB 4.16Å; L2647-N2680 VanDerWaalsContact CD2-CG 3.45Å; L2647-N2680 VanDerWaalsContact CD2-OD1 3.24Å; L2647-N2680 WeakPolarHBondContact CD2-OD1 3.5Å
2648	L	34.6	Very low	34.5	Very low	56.3333 Å²	56.3333	80.3 Å²	80.3	30%	0.295	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	78.7	170.3	-73.1	174.9	0	0	0	109.6	L2622 I2631 S2646 S2650 I2652 N2657 I2659 R2679	L2622-L2648 HydrophobicContact CB-CD2 4.26Å; L2622-L2648 HydrophobicContact CD2-CD2 3.79Å; I2631-L2648 HydrophobicContact CD1-CD2 3.42Å; I2631-L2648 VanDerWaalsContact CD1-CD2 3.42Å; S2646-L2648 PolarHBondContact O-N 3.22Å; S2646-L2648 VanDerWaalsContact O-N 3.12Å; L2648-S2650 VanDerWaalsContact C-N 3.34Å; L2648-S2650 PolarHBondContact O-N 2.88Å; L2648-S2650 PolarHBondContact O-OG 2.78Å; L2648-I2652 HydrophobicContact CD2-CD1 4.17Å; L2648-N2657 HydrophobicContact CD1-CB 4.01Å; L2648-I2659 HydrophobicContact CD1-CD1 3.87Å; L2648-I2659 HydrophobicContact CD1-CG1 3.79Å; L2648-I2659 HydrophobicContact CD1-CG2 4.29Å; L2648-I2659 HydrophobicContact CD2-CD1 4.22Å; L2648-I2659 HydrophobicContact CG-CD1 4.24Å; L2648-R2679 CarbonylContact C-O 3.55Å; L2648-R2679 PolarHBondContact N-O 2.92Å
2649	N	33.6	Very low	34.9	Very low	103 Å²	103	77.5 Å²	77.5	55%	0.551	42%	0.42	S	S	*	.			trans	-79.9	89.2	175.5	-152.8	9.6	0	0	0	109.2	K2625 L2647 N2651	K2625-N2649 HydrophobicContact CG-CB 4.17Å; L2647-N2649 VanDerWaalsContact C-N 3.27Å; L2647-N2649 PolarHBondContact O-N 3Å; N2649-N2651 PolarHBondContact O-N 3.25Å
2650	S	30.8	Very low	35.3	Very low	50 Å²	50	76.3 Å²	76.3	35%	0.35	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.7	-172.8	52.3	0	0	0	0	111.7	M2624 L2648 I2652 N2657	M2624-S2650 WeakPolarHBondContact O-CA 3.43Å; L2648-S2650 VanDerWaalsContact C-N 3.34Å; L2648-S2650 PolarHBondContact O-N 2.88Å; L2648-S2650 PolarHBondContact O-OG 2.78Å; S2650-I2652 VanDerWaalsContact C-N 3.3Å; S2650-I2652 PolarHBondContact O-N 3.1Å; S2650-I2652 WeakPolarHBondContact OG-CD1 3.43Å; S2650-N2657 PolarHBondContact OG-ND2 2.67Å; S2650-N2657 VanDerWaalsContact OG-ND2 3.16Å
2651	N	30.5	Very low	35.6	Very low	130.667 Å²	130.667	72.3 Å²	72.3	70%	0.699	39%	0.391	S	S	*	.			trans	-100.1	30.4	167.4	-85.4	2	0	0	0	110.9	M2624 N2649 S2653	M2624-N2651 PolarHBondContact O-N 3.06Å; N2649-N2651 PolarHBondContact O-N 3.25Å; N2651-S2653 PolarHBondContact O-N 2.82Å
2652	I	32.6	Very low	36	Very low	77 Å²	77	67.4 Å²	67.4	40%	0.395	37%	0.372	S	S	.	.			trans	-93.4	105.7	177.5	-64.2	174.7	0	0	0	108.8	D2627 I2631 L2648 S2650 S2654 N2657 I2659	D2627-I2652 HydrophobicContact CB-CD1 3.73Å; I2631-I2652 HydrophobicContact CD1-CD1 4.17Å; L2648-I2652 HydrophobicContact CD2-CD1 4.17Å; S2650-I2652 VanDerWaalsContact C-N 3.3Å; S2650-I2652 PolarHBondContact O-N 3.1Å; S2650-I2652 WeakPolarHBondContact OG-CD1 3.43Å; I2652-S2654 VanDerWaalsContact C-N 3.32Å; I2652-S2654 PolarHBondContact O-N 3.49Å; I2652-N2657 HydrophobicContact CG2-CB 4.16Å; I2652-N2657 VanDerWaalsContact CG2-ND2 3.32Å; I2652-N2657 WeakPolarHBondContact CG2-ND2 3.42Å; I2652-I2659 HydrophobicContact CD1-CD1 4.17Å
2653	S	29.5	Very low	36.4	Very low	104 Å²	104	66.6 Å²	66.6	73%	0.727	36%	0.361	S	S	*	.			trans	-98.7	66.4	179.5	48.5	0	0	0	0	111.6	D2627 N2651	D2627-S2653 WeakPolarHBondContact OD1-CA 3.44Å; D2627-S2653 WeakPolarHBondContact OD1-CB 3.4Å; D2627-S2653 PolarHBondContact OD1-N 3.26Å; D2627-S2653 PolarHBondContact OD1-OG 3.33Å; N2651-S2653 PolarHBondContact O-N 2.82Å
2654	S	32.1	Very low	36.7	Very low	44.3333 Å²	44.3333	64.5 Å²	64.5	31%	0.31	35%	0.352	S	S	.	.			trans	-150.6	130.3	166.9	52.8	0	0	0	0	112.1	I2652 N2656 N2657	I2652-S2654 VanDerWaalsContact C-N 3.32Å; I2652-S2654 PolarHBondContact O-N 3.49Å; S2654-N2656 PolarHBondContact O-N 3.45Å; S2654-N2657 VanDerWaalsContact O-CG 3.31Å; S2654-N2657 PolarHBondContact O-N 3.46Å; S2654-N2657 PolarHBondContact O-OD1 3.07Å; S2654-N2657 PolarHBondContact OG-ND2 2.81Å; S2654-N2657 PolarHBondContact OG-OD1 2.8Å
2655	D	36.7	Very low	37.2	Very low	134 Å²	134	63.2 Å²	63.2	72%	0.717	35%	0.346	S	S	*	.	S	Bend	trans	-63.7	41.5	-170.4	-61.1	-57.3	0	0	0	115.2	K2701	D2655-K2701 VanDerWaalsContact CG-NZ 3.35Å; D2655-K2701 IonicContact OD1-NZ 3.19Å; D2655-K2701 PolarHBondContact OD1-NZ 3.16Å; D2655-K2701 IonicContact OD2-NZ 3.78Å; D2655-K2701 PolarHBondContact OD2-NZ 3.25Å
2656	N	41.6	Very low	37.6	Very low	91.3333 Å²	91.3333	66.1 Å²	66.1	49%	0.488	36%	0.357	S	S	.	.			trans	-159.2	45.8	179.7	-65.6	-77.9	0	0	0	114.8	K2629 S2654 E2658 R2675	K2629-N2656 CarbonylContact C-O 3.55Å; K2629-N2656 WeakPolarHBondContact CA-O 3.39Å; K2629-N2656 HydrophobicContact CB-CB 4.33Å; K2629-N2656 HydrophobicContact CD-CB 3.8Å; K2629-N2656 HydrophobicContact CG-CB 3.78Å; K2629-N2656 PolarHBondContact NZ-OD1 3.41Å; S2654-N2656 PolarHBondContact O-N 3.45Å; N2656-E2658 PolarHBondContact O-N 3.43Å; N2656-R2675 VanDerWaalsContact CG-NH2 3.32Å; N2656-R2675 PolarHBondContact OD1-NE 2.82Å; N2656-R2675 PolarHBondContact OD1-NH2 2.65Å
2657	N	42	Very low	37.7	Very low	19.6667 Å²	19.6667	71 Å²	71	11%	0.105	38%	0.38	C	S	.	.			trans	-94.4	115.2	175.4	-66.9	-7.1	0	0	0	110.8	K2628 K2629 L2648 S2650 I2652 S2654 I2659 T2676	K2628-N2657 WeakPolarHBondContact CA-OD1 3.44Å; K2628-N2657 WeakPolarHBondContact O-CB 3.39Å; K2628-N2657 PolarHBondContact O-ND2 2.94Å; K2628-N2657 PolarHBondContact O-OD1 2.85Å; K2628-N2657 VanDerWaalsContact O-OD1 3.09Å; K2629-N2657 PolarHBondContact N-OD1 3.48Å; K2629-N2657 VanDerWaalsContact N-OD1 3.07Å; K2629-N2657 WeakPolarHBondContact O-CA 3.35Å; K2629-N2657 WeakPolarHBondContact O-CB 3.05Å; K2629-N2657 PolarHBondContact O-OD1 3.47Å; L2648-N2657 HydrophobicContact CD1-CB 4.01Å; S2650-N2657 PolarHBondContact OG-ND2 2.67Å; S2650-N2657 VanDerWaalsContact OG-ND2 3.16Å; I2652-N2657 HydrophobicContact CG2-CB 4.16Å; I2652-N2657 VanDerWaalsContact CG2-ND2 3.32Å; I2652-N2657 WeakPolarHBondContact CG2-ND2 3.42Å; S2654-N2657 VanDerWaalsContact O-CG 3.31Å; S2654-N2657 PolarHBondContact O-N 3.46Å; S2654-N2657 PolarHBondContact O-OD1 3.07Å; S2654-N2657 PolarHBondContact OG-ND2 2.81Å; S2654-N2657 PolarHBondContact OG-OD1 2.8Å; N2657-I2659 PolarHBondContact O-N 2.87Å; N2657-T2676 HydrophobicContact CB-CG2 4.42Å; N2657-T2676 PolarHBondContact N-O 3.31Å; N2657-T2676 WeakPolarHBondContact O-CB 3.49Å; N2657-T2676 WeakPolarHBondContact O-CG2 3.39Å; N2657-T2676 PolarHBondContact O-N 3.09Å; N2657-T2676 VanDerWaalsContact O-N 3.1Å; N2657-T2676 PolarHBondContact O-OG1 3.37Å
2658	E	43.3	Very low	37.9	Very low	59.6667 Å²	59.6667	71.7 Å²	71.7	28%	0.279	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.9	174.9	-64.1	-171.2	146.7	0	0	110.5	K2629 S2630 I2631 N2656 Y2660 Y2673 I2674 R2675	K2629-E2658 PolarHBondContact O-N 3.27Å; S2630-E2658 CarbonylContact C-O 3.58Å; S2630-E2658 VanDerWaalsContact CA-O 3.28Å; S2630-E2658 WeakPolarHBondContact CA-O 3.43Å; S2630-E2658 WeakPolarHBondContact CB-O 3.37Å; I2631-E2658 PolarHBondContact N-O 3.23Å; I2631-E2658 VanDerWaalsContact N-O 3.1Å; N2656-E2658 PolarHBondContact O-N 3.43Å; E2658-Y2660 HydrophobicContact CB-CD2 4.29Å; E2658-Y2660 HydrophobicContact CB-CE2 3.59Å; E2658-Y2660 VanDerWaalsContact CB-CE2 3.41Å; E2658-Y2660 HydrophobicContact CG-CE2 4.37Å; E2658-Y2660 WeakPolarHBondContact OE2-CE2 3.19Å; E2658-Y2660 PolarHBondContact OE2-OH 3.15Å; E2658-Y2673 HydrophobicContact CB-CE2 4.26Å; E2658-Y2673 VanDerWaalsContact CD-OH 3.28Å; E2658-Y2673 HydrophobicContact CG-CE2 4.24Å; E2658-Y2673 PolarHBondContact OE1-OH 2.87Å; E2658-I2674 WeakPolarHBondContact CA-O 3.36Å; E2658-R2675 HydrophobicContact CG-CG 4.4Å; E2658-R2675 IonicContact OE1-CZ 3.83Å; E2658-R2675 IonicContact OE1-NE 2.77Å; E2658-R2675 PolarHBondContact OE1-NE 3.48Å; E2658-R2675 IonicContact OE1-NH1 2.74Å; E2658-R2675 IonicContact OE1-NH2 3.71Å; E2658-R2675 PolarHBondContact OE1-NH2 2.87Å
2659	I	43.7	Very low	37.9	Very low	19 Å²	19	76.1 Å²	76.1	10%	0.097	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119	173.9	-51.3	175.4	0	0	0	108.3	I2631 F2633 L2648 I2652 N2657 I2661 I2674	I2631-I2659 HydrophobicContact CB-CG1 4.43Å; I2631-I2659 HydrophobicContact CB-CG2 4.44Å; I2631-I2659 HydrophobicContact CD1-CG1 4.37Å; I2631-I2659 WeakPolarHBondContact O-CA 3.17Å; F2633-I2659 HydrophobicContact CD2-CG2 4.07Å; F2633-I2659 HydrophobicContact CE2-CG2 4.45Å; L2648-I2659 HydrophobicContact CD1-CD1 3.87Å; L2648-I2659 HydrophobicContact CD1-CG1 3.79Å; L2648-I2659 HydrophobicContact CD1-CG2 4.29Å; L2648-I2659 HydrophobicContact CD2-CD1 4.22Å; L2648-I2659 HydrophobicContact CG-CD1 4.24Å; I2652-I2659 HydrophobicContact CD1-CD1 4.17Å; N2657-I2659 PolarHBondContact O-N 2.87Å; I2659-I2661 HydrophobicContact CG2-CG1 4.08Å; I2659-I2674 HydrophobicContact CB-CB 4.2Å; I2659-I2674 HydrophobicContact CB-CD1 4.09Å; I2659-I2674 HydrophobicContact CD1-CB 4.39Å; I2659-I2674 HydrophobicContact CD1-CD1 4Å; I2659-I2674 HydrophobicContact CD1-CG2 4.26Å; I2659-I2674 HydrophobicContact CG1-CB 4.45Å; I2659-I2674 HydrophobicContact CG2-CD1 4.36Å; I2659-I2674 PolarHBondContact N-O 2.98Å; I2659-I2674 PolarHBondContact O-N 3.29Å; I2659-I2674 VanDerWaalsContact O-O 3.11Å
2660	Y	43.8	Very low	38	Very low	71.6667 Å²	71.6667	75 Å²	75	28%	0.281	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.2	174.9	-65	-93.8	0	0	0	108.4	I2631 H2632 F2633 E2658 Y2673	I2631-Y2660 PolarHBondContact O-N 3.25Å; H2632-Y2660 AromaticContact CD2-CD2 3.87Å; H2632-Y2660 AromaticContact CD2-CG 3.9Å; H2632-Y2660 AromaticContact CE1-CD1 3.82Å; H2632-Y2660 AromaticContact CE1-CD2 3.4Å; H2632-Y2660 WeakPolarHBondContact CE1-CD2 3.4Å; H2632-Y2660 AromaticContact CE1-CE2 3.7Å; H2632-Y2660 AromaticContact CE1-CG 3.45Å; H2632-Y2660 VanDerWaalsContact ND1-CB 3.3Å; H2632-Y2660 WeakPolarHBondContact ND1-CB 3.23Å; H2632-Y2660 AromaticContact ND1-CD2 3.66Å; H2632-Y2660 AromaticContact ND1-CG 3.65Å; H2632-Y2660 AromaticContact NE2-CD2 3.51Å; H2632-Y2660 WeakPolarHBondContact NE2-CD2 2.99Å; H2632-Y2660 AromaticContact NE2-CE2 3.86Å; H2632-Y2660 AromaticContact NE2-CG 3.86Å; F2633-Y2660 PolarHBondContact N-O 3.19Å; E2658-Y2660 HydrophobicContact CB-CD2 4.29Å; E2658-Y2660 HydrophobicContact CB-CE2 3.59Å; E2658-Y2660 VanDerWaalsContact CB-CE2 3.41Å; E2658-Y2660 HydrophobicContact CG-CE2 4.37Å; E2658-Y2660 WeakPolarHBondContact OE2-CE2 3.19Å; E2658-Y2660 PolarHBondContact OE2-OH 3.15Å; Y2660-Y2673 AromaticContact CD1-CD2 3.97Å; Y2660-Y2673 HydrophobicContact CD1-CD2 3.97Å; Y2660-Y2673 HydrophobicContact CE1-CD1 4.49Å; Y2660-Y2673 AromaticContact CE1-CD2 3.56Å; Y2660-Y2673 HydrophobicContact CE1-CD2 3.56Å; Y2660-Y2673 AromaticContact CE1-CE2 3.83Å; Y2660-Y2673 HydrophobicContact CE1-CE2 3.83Å; Y2660-Y2673 HydrophobicContact CE2-CD2 4.35Å; Y2660-Y2673 HydrophobicContact CE2-CE2 4.14Å; Y2660-Y2673 AromaticContact CZ-CD2 3.77Å; Y2660-Y2673 AromaticContact CZ-CE2 3.55Å; Y2660-Y2673 WeakPolarHBondContact OH-CE2 3.43Å
2661	I	44.1	Very low	38.1	Very low	22.6667 Å²	22.6667	76 Å²	76	12%	0.116	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	103.7	174.5	-55	179	0	0	0	108	F2633 I2659 Y2663 T2671 V2672 I2674 Y2683	F2633-I2661 HydrophobicContact CB-CG1 4.4Å; F2633-I2661 HydrophobicContact CD1-CG2 4.48Å; F2633-I2661 WeakPolarHBondContact O-CA 3.37Å; I2659-I2661 HydrophobicContact CG2-CG1 4.08Å; I2661-Y2663 HydrophobicContact CG2-CD1 4.47Å; I2661-Y2663 PolarHBondContact O-N 3.31Å; I2661-T2671 WeakPolarHBondContact O-CA 3.34Å; I2661-V2672 HydrophobicContact CB-CB 4.3Å; I2661-V2672 PolarHBondContact N-O 2.91Å; I2661-V2672 PolarHBondContact O-N 3.07Å; I2661-I2674 HydrophobicContact CD1-CB 4.37Å; I2661-I2674 HydrophobicContact CD1-CD1 3.79Å; I2661-I2674 HydrophobicContact CD1-CG1 4.29Å; I2661-I2674 HydrophobicContact CG1-CD1 4.33Å; I2661-Y2683 HydrophobicContact CD1-CD1 4.39Å
2662	D	42.5	Very low	38.4	Very low	34.3333 Å²	34.3333	72.5 Å²	72.5	18%	0.184	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.9	173.8	-77.1	-33	0	0	0	109.2	H2632 F2633 T2634 M2635 L2664 K2669 T2671	H2632-D2662 IonicContact CE1-OD2 2.66Å; H2632-D2662 PolarHBondContact CE1-OD2 3.17Å; F2633-D2662 PolarHBondContact O-N 3.17Å; T2634-D2662 WeakPolarHBondContact CA-O 3.41Å; T2634-D2662 HydrophobicContact CG2-CB 4.13Å; M2635-D2662 PolarHBondContact N-O 3Å; M2635-D2662 VanDerWaalsContact N-O 3.1Å; D2662-L2664 HydrophobicContact CB-CD2 4.49Å; D2662-K2669 WeakPolarHBondContact OD1-CE 3.02Å; D2662-K2669 IonicContact OD1-NZ 3.45Å; D2662-K2669 WeakPolarHBondContact OD2-CE 3.29Å; D2662-K2669 IonicContact OD2-NZ 3.98Å; D2662-K2669 PolarHBondContact OD2-NZ 3.23Å; D2662-T2671 WeakPolarHBondContact OD1-CG2 3.31Å
2663	Y	41.4	Very low	38.4	Very low	36.6667 Å²	36.6667	75 Å²	75	14%	0.144	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.1	172	159.1	-90.8	0	0	0	110.7	N2260 M2635 D2638 L2639 S2642 V2644 I2661 K2670 V2672 I2685	N2260-Y2663 PolarHBondContact OD1-O 3.06Å; M2635-Y2663 HydrophobicContact CB-CD2 4.27Å; D2638-Y2663 WeakPolarHBondContact CA-OH 3.05Å; D2638-Y2663 PolarHBondContact O-OH 3Å; D2638-Y2663 WeakPolarHBondContact OD1-CE1 3.5Å; D2638-Y2663 PolarHBondContact OD1-OH 3.33Å; D2638-Y2663 VanDerWaalsContact OD1-OH 3.1Å; L2639-Y2663 PolarHBondContact O-OH 3.25Å; S2642-Y2663 VanDerWaalsContact OG-CE2 3.23Å; S2642-Y2663 WeakPolarHBondContact OG-CE2 3.37Å; S2642-Y2663 PolarHBondContact OG-OH 3.08Å; V2644-Y2663 HydrophobicContact CG2-CD2 3.82Å; V2644-Y2663 HydrophobicContact CG2-CE2 3.8Å; I2661-Y2663 HydrophobicContact CG2-CD1 4.47Å; I2661-Y2663 PolarHBondContact O-N 3.31Å; Y2663-K2670 HydrophobicContact CD1-CB 4.14Å; Y2663-K2670 WeakPolarHBondContact CD1-O 3.46Å; Y2663-K2670 HydrophobicContact CD2-CB 4.49Å; Y2663-K2670 HydrophobicContact CE1-CB 3.59Å; Y2663-K2670 HydrophobicContact CE2-CB 4Å; Y2663-K2670 HydrophobicContact CE2-CD 4.09Å; Y2663-K2670 PolarHBondContact N-O 3.26Å; Y2663-K2670 PolarHBondContact O-N 3.31Å; Y2663-K2670 VanDerWaalsContact O-O 3.14Å; Y2663-V2672 HydrophobicContact CE1-CG2 3.95Å; Y2663-I2685 HydrophobicContact CD2-CG2 4.27Å; Y2663-I2685 HydrophobicContact CE2-CG2 3.75Å
2664	L	40.5	Very low	38.7	Very low	42.6667 Å²	42.6667	72.5 Å²	72.5	22%	0.223	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	104.5	178.4	-62.8	173.9	0	0	0	109.4	N2259 N2260 T2634 M2635 L2636 S2637 D2662 K2669	N2259-L2664 HydrophobicContact CB-CB 4.28Å; N2259-L2664 HydrophobicContact CB-CD1 4.38Å; N2259-L2664 VanDerWaalsContact O-CD1 3.29Å; N2259-L2664 WeakPolarHBondContact O-CD1 3.49Å; N2259-L2664 WeakPolarHBondContact O-CD2 3.28Å; N2260-L2664 HydrophobicContact CB-CB 3.78Å; N2260-L2664 HydrophobicContact CB-CD2 3.7Å; N2260-L2664 HydrophobicContact CB-CG 4.25Å; N2260-L2664 VanDerWaalsContact OD1-CA 3.23Å; N2260-L2664 WeakPolarHBondContact OD1-CA 3.49Å; T2634-L2664 HydrophobicContact CG2-CD1 3.62Å; T2634-L2664 VanDerWaalsContact CG2-CD1 3.42Å; T2634-L2664 HydrophobicContact CG2-CD2 4.03Å; T2634-L2664 HydrophobicContact CG2-CG 4.18Å; M2635-L2664 WeakPolarHBondContact O-CB 3.12Å; M2635-L2664 WeakPolarHBondContact O-CG 3.29Å; M2635-L2664 PolarHBondContact O-N 3.09Å; L2636-L2664 HydrophobicContact CD2-CB 3.6Å; L2636-L2664 HydrophobicContact CD2-CD1 3.84Å; L2636-L2664 HydrophobicContact CD2-CG 4.39Å; L2636-L2664 HydrophobicContact CG-CB 4.23Å; L2636-L2664 HydrophobicContact CG-CD1 4.18Å; S2637-L2664 PolarHBondContact N-O 3.5Å; D2662-L2664 HydrophobicContact CB-CD2 4.49Å; L2664-K2669 HydrophobicContact CD2-CB 4.32Å; L2664-K2669 HydrophobicContact CD2-CG 3.95Å
2665	S	43.6	Very low	38.6	Very low	18.6667 Å²	18.6667	76.9 Å²	76.9	13%	0.131	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.7	166.3	67.7	0	0	0	0	109.7	N2260 S2637 D2638 L2639 N2667 Q2668 K2670	N2260-S2665 PolarHBondContact OD1-N 2.93Å; N2260-S2665 PolarHBondContact OD1-O 2.73Å; N2260-S2665 VanDerWaalsContact OD1-O 3.12Å; S2637-S2665 VanDerWaalsContact O-CA 3.25Å; S2637-S2665 WeakPolarHBondContact O-CA 3.15Å; S2637-S2665 WeakPolarHBondContact O-CB 3.26Å; D2638-S2665 VanDerWaalsContact CG-CA 3.45Å; D2638-S2665 WeakPolarHBondContact OD1-CA 3.4Å; D2638-S2665 WeakPolarHBondContact OD1-CB 3.39Å; L2639-S2665 WeakPolarHBondContact O-CB 3.18Å; S2665-N2667 PolarHBondContact O-N 2.89Å; S2665-Q2668 PolarHBondContact N-O 2.92Å; S2665-Q2668 PolarHBondContact O-N 2.84Å; S2665-Q2668 PolarHBondContact OG-N 3.34Å; S2665-Q2668 PolarHBondContact OG-O 3.1Å; S2665-K2670 VanDerWaalsContact OG-CD 3.29Å; S2665-K2670 WeakPolarHBondContact OG-CD 3.43Å; S2665-K2670 WeakPolarHBondContact OG-CE 3.45Å; S2665-K2670 PolarHBondContact OG-NZ 2.94Å
2666	E	36.9	Very low	38.6	Very low	146.667 Å²	146.667	74.3 Å²	74.3	69%	0.685	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-24.4	57.4	177.4	-66.5	-174.1	150.6	0	0	112.8	N2262 D2638 H2640 Q2668	N2262-E2666 PolarHBondContact ND2-O 3.42Å; N2262-E2666 PolarHBondContact OD1-O 2.78Å; D2638-E2666 HydrophobicContact CB-CG 4.45Å; D2638-E2666 PolarHBondContact OD2-N 3.08Å; H2640-E2666 PolarHBondContact CE1-O 3.28Å; H2640-E2666 VanDerWaalsContact CE1-O 3.27Å; E2666-Q2668 VanDerWaalsContact C-N 3.26Å; E2666-Q2668 PolarHBondContact O-N 2.97Å; E2666-Q2668 VanDerWaalsContact O-N 3.1Å
2667	N	36.7	Very low	38	Very low	138.667 Å²	138.667	72.6 Å²	72.6	74%	0.742	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-0.4	-178.5	-60.5	-44	0	0	0	116.7	N2262 S2665	N2262-N2667 PolarHBondContact ND2-OD1 3.06Å; S2665-N2667 PolarHBondContact O-N 2.89Å
2668	Q	35.2	Very low	37.5	Very low	105.333 Å²	105.333	76.4 Å²	76.4	49%	0.492	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	122.5	177.5	-66.9	-173.7	7.4	0	0	113	N2260 S2665 E2666 K2670	N2260-Q2668 VanDerWaalsContact ND2-C 3.34Å; N2260-Q2668 VanDerWaalsContact OD1-C 3.29Å; N2260-Q2668 PolarHBondContact OD1-O 3.13Å; S2665-Q2668 PolarHBondContact N-O 2.92Å; S2665-Q2668 PolarHBondContact O-N 2.84Å; S2665-Q2668 PolarHBondContact OG-N 3.34Å; S2665-Q2668 PolarHBondContact OG-O 3.1Å; E2666-Q2668 VanDerWaalsContact C-N 3.26Å; E2666-Q2668 PolarHBondContact O-N 2.97Å; E2666-Q2668 VanDerWaalsContact O-N 3.1Å; Q2668-K2670 PolarHBondContact O-N 3.09Å; Q2668-K2670 VanDerWaalsContact O-N 3.12Å; Q2668-K2670 VanDerWaalsContact OE1-NZ 3.07Å
2669	K	34	Very low	36.9	Very low	147.333 Å²	147.333	81.8 Å²	81.8	64%	0.641	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	104.7	169	-139.4	-178.8	-179.1	177.4	0	109.5	N2260 D2662 L2664 T2671	N2260-K2669 WeakPolarHBondContact ND2-CA 3.24Å; N2260-K2669 WeakPolarHBondContact ND2-CB 3.37Å; N2260-K2669 PolarHBondContact ND2-N 2.84Å; N2260-K2669 WeakPolarHBondContact OD1-CA 3.4Å; N2260-K2669 PolarHBondContact OD1-N 2.94Å; D2662-K2669 WeakPolarHBondContact OD1-CE 3.02Å; D2662-K2669 IonicContact OD1-NZ 3.45Å; D2662-K2669 WeakPolarHBondContact OD2-CE 3.29Å; D2662-K2669 IonicContact OD2-NZ 3.98Å; D2662-K2669 PolarHBondContact OD2-NZ 3.23Å; L2664-K2669 HydrophobicContact CD2-CB 4.32Å; L2664-K2669 HydrophobicContact CD2-CG 3.95Å; K2669-T2671 HydrophobicContact CG-CG2 4.22Å
2670	K	36.8	Very low	36.2	Very low	81 Å²	81	85.8 Å²	85.8	35%	0.352	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.4	170.8	-74.2	-179.1	-179.4	162	0	109.2	Y2663 S2665 Q2668 V2672	Y2663-K2670 HydrophobicContact CD1-CB 4.14Å; Y2663-K2670 WeakPolarHBondContact CD1-O 3.46Å; Y2663-K2670 HydrophobicContact CD2-CB 4.49Å; Y2663-K2670 HydrophobicContact CE1-CB 3.59Å; Y2663-K2670 HydrophobicContact CE2-CB 4Å; Y2663-K2670 HydrophobicContact CE2-CD 4.09Å; Y2663-K2670 PolarHBondContact N-O 3.26Å; Y2663-K2670 PolarHBondContact O-N 3.31Å; Y2663-K2670 VanDerWaalsContact O-O 3.14Å; S2665-K2670 VanDerWaalsContact OG-CD 3.29Å; S2665-K2670 WeakPolarHBondContact OG-CD 3.43Å; S2665-K2670 WeakPolarHBondContact OG-CE 3.45Å; S2665-K2670 PolarHBondContact OG-NZ 2.94Å; Q2668-K2670 PolarHBondContact O-N 3.09Å; Q2668-K2670 VanDerWaalsContact O-N 3.12Å; Q2668-K2670 VanDerWaalsContact OE1-NZ 3.07Å; K2670-V2672 PolarHBondContact O-N 2.91Å
2671	T	32.6	Very low	35.8	Very low	70 Å²	70	87 Å²	87	43%	0.429	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.4	173.8	40.7	0	0	0	0	109.5	I2661 D2662 K2669 Y2673	I2661-T2671 WeakPolarHBondContact O-CA 3.34Å; D2662-T2671 WeakPolarHBondContact OD1-CG2 3.31Å; K2669-T2671 HydrophobicContact CG-CG2 4.22Å; T2671-Y2673 HydrophobicContact CG2-CE2 4.24Å; T2671-Y2673 PolarHBondContact O-N 2.99Å; T2671-Y2673 VanDerWaalsContact O-N 3.15Å
2672	V	36.5	Very low	35	Very low	57 Å²	57	90.9 Å²	90.9	35%	0.345	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	109.5	173.3	176.6	0	0	0	0	107.7	I2661 Y2663 K2670 I2674 Y2683 F2707	I2661-V2672 HydrophobicContact CB-CB 4.3Å; I2661-V2672 PolarHBondContact N-O 2.91Å; I2661-V2672 PolarHBondContact O-N 3.07Å; Y2663-V2672 HydrophobicContact CE1-CG2 3.95Å; K2670-V2672 PolarHBondContact O-N 2.91Å; V2672-I2674 HydrophobicContact CG1-CD1 4.48Å; V2672-I2674 HydrophobicContact CG1-CG1 4.12Å; V2672-I2674 PolarHBondContact O-N 3.32Å; V2672-Y2683 HydrophobicContact CG1-CE1 4.13Å; V2672-Y2683 HydrophobicContact CG1-CE2 4.19Å; V2672-Y2683 HydrophobicContact CG2-CE1 4.19Å; V2672-F2707 HydrophobicContact CG1-CE1 3.93Å; V2672-F2707 HydrophobicContact CG1-CZ 3.73Å
2673	Y	32.2	Very low	34.4	Very low	129.667 Å²	129.667	94.5 Å²	94.5	51%	0.508	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	101.5	175.5	-101.2	-93.9	0	0	0	109.9	E2658 Y2660 T2671 R2675 F2707	E2658-Y2673 HydrophobicContact CB-CE2 4.26Å; E2658-Y2673 VanDerWaalsContact CD-OH 3.28Å; E2658-Y2673 HydrophobicContact CG-CE2 4.24Å; E2658-Y2673 PolarHBondContact OE1-OH 2.87Å; Y2660-Y2673 AromaticContact CD1-CD2 3.97Å; Y2660-Y2673 HydrophobicContact CD1-CD2 3.97Å; Y2660-Y2673 HydrophobicContact CE1-CD1 4.49Å; Y2660-Y2673 AromaticContact CE1-CD2 3.56Å; Y2660-Y2673 HydrophobicContact CE1-CD2 3.56Å; Y2660-Y2673 AromaticContact CE1-CE2 3.83Å; Y2660-Y2673 HydrophobicContact CE1-CE2 3.83Å; Y2660-Y2673 HydrophobicContact CE2-CD2 4.35Å; Y2660-Y2673 HydrophobicContact CE2-CE2 4.14Å; Y2660-Y2673 AromaticContact CZ-CD2 3.77Å; Y2660-Y2673 AromaticContact CZ-CE2 3.55Å; Y2660-Y2673 WeakPolarHBondContact OH-CE2 3.43Å; T2671-Y2673 HydrophobicContact CG2-CE2 4.24Å; T2671-Y2673 PolarHBondContact O-N 2.99Å; T2671-Y2673 VanDerWaalsContact O-N 3.15Å; Y2673-R2675 HydrophobicContact CE1-CB 3.83Å; Y2673-R2675 PolarHBondContact O-N 3.2Å; Y2673-R2675 VanDerWaalsContact O-N 3.12Å; Y2673-F2707 WeakPolarHBondContact O-CE2 3.38Å; Y2673-F2707 VanDerWaalsContact O-CZ 3.23Å; Y2673-F2707 WeakPolarHBondContact O-CZ 3.13Å
2674	I	35.4	Very low	33.9	Very low	51.3333 Å²	51.3333	95.7 Å²	95.7	26%	0.263	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	91.8	163.2	-50.3	176.6	0	0	0	108.4	E2658 I2659 I2661 V2672 T2676 I2681 F2707	E2658-I2674 WeakPolarHBondContact CA-O 3.36Å; I2659-I2674 HydrophobicContact CB-CB 4.2Å; I2659-I2674 HydrophobicContact CB-CD1 4.09Å; I2659-I2674 HydrophobicContact CD1-CB 4.39Å; I2659-I2674 HydrophobicContact CD1-CD1 4Å; I2659-I2674 HydrophobicContact CD1-CG2 4.26Å; I2659-I2674 HydrophobicContact CG1-CB 4.45Å; I2659-I2674 HydrophobicContact CG2-CD1 4.36Å; I2659-I2674 PolarHBondContact N-O 2.98Å; I2659-I2674 PolarHBondContact O-N 3.29Å; I2659-I2674 VanDerWaalsContact O-O 3.11Å; I2661-I2674 HydrophobicContact CD1-CB 4.37Å; I2661-I2674 HydrophobicContact CD1-CD1 3.79Å; I2661-I2674 HydrophobicContact CD1-CG1 4.29Å; I2661-I2674 HydrophobicContact CG1-CD1 4.33Å; V2672-I2674 HydrophobicContact CG1-CD1 4.48Å; V2672-I2674 HydrophobicContact CG1-CG1 4.12Å; V2672-I2674 PolarHBondContact O-N 3.32Å; I2674-T2676 HydrophobicContact CG2-CG2 4.11Å; I2674-I2681 HydrophobicContact CG2-CD1 3.72Å; I2674-F2707 VanDerWaalsContact CA-CE2 3.41Å; I2674-F2707 HydrophobicContact CB-CE2 3.69Å; I2674-F2707 HydrophobicContact CB-CZ 4.08Å; I2674-F2707 HydrophobicContact CG1-CE2 3.47Å; I2674-F2707 VanDerWaalsContact CG1-CE2 3.47Å; I2674-F2707 HydrophobicContact CG1-CZ 3.42Å; I2674-F2707 VanDerWaalsContact CG1-CZ 3.42Å; I2674-F2707 HydrophobicContact CG2-CE2 3.9Å
2675	R	31.7	Very low	33.4	Very low	137 Å²	137	98.2 Å²	98.2	52%	0.517	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.9	155.9	-130.5	179.4	-179.9	169.8	-2.9	108.5	N2656 E2658 Y2673 S2677	N2656-R2675 VanDerWaalsContact CG-NH2 3.32Å; N2656-R2675 PolarHBondContact OD1-NE 2.82Å; N2656-R2675 PolarHBondContact OD1-NH2 2.65Å; E2658-R2675 HydrophobicContact CG-CG 4.4Å; E2658-R2675 IonicContact OE1-CZ 3.83Å; E2658-R2675 IonicContact OE1-NE 2.77Å; E2658-R2675 PolarHBondContact OE1-NE 3.48Å; E2658-R2675 IonicContact OE1-NH1 2.74Å; E2658-R2675 IonicContact OE1-NH2 3.71Å; E2658-R2675 PolarHBondContact OE1-NH2 2.87Å; Y2673-R2675 HydrophobicContact CE1-CB 3.83Å; Y2673-R2675 PolarHBondContact O-N 3.2Å; Y2673-R2675 VanDerWaalsContact O-N 3.12Å; R2675-S2677 VanDerWaalsContact C-N 3.3Å; R2675-S2677 WeakPolarHBondContact CB-OG 3.34Å; R2675-S2677 WeakPolarHBondContact CD-OG 3.34Å; R2675-S2677 WeakPolarHBondContact CG-OG 3.47Å; R2675-S2677 PolarHBondContact O-N 3.06Å; R2675-S2677 PolarHBondContact O-OG 2.88Å
2676	T	34.9	Very low	32.7	Very low	81 Å²	81	104.2 Å²	104.2	50%	0.497	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	70.9	172.6	63.5	0	0	0	0	111.7	N2657 I2674 L2678 I2681	N2657-T2676 HydrophobicContact CB-CG2 4.42Å; N2657-T2676 PolarHBondContact N-O 3.31Å; N2657-T2676 WeakPolarHBondContact O-CB 3.49Å; N2657-T2676 WeakPolarHBondContact O-CG2 3.39Å; N2657-T2676 PolarHBondContact O-N 3.09Å; N2657-T2676 VanDerWaalsContact O-N 3.1Å; N2657-T2676 PolarHBondContact O-OG1 3.37Å; I2674-T2676 HydrophobicContact CG2-CG2 4.11Å; T2676-L2678 PolarHBondContact OG1-N 3.43Å; T2676-I2681 HydrophobicContact CG2-CD1 3.54Å
2677	S	31	Very low	32.4	Very low	54 Å²	54	100.6 Å²	100.6	38%	0.378	50%	0.503	S	S	.	.	S	Bend	trans	-92.6	85.8	171.3	58.8	0	0	0	0	111.1	R2675 R2679	R2675-S2677 VanDerWaalsContact C-N 3.3Å; R2675-S2677 WeakPolarHBondContact CB-OG 3.34Å; R2675-S2677 WeakPolarHBondContact CD-OG 3.34Å; R2675-S2677 WeakPolarHBondContact CG-OG 3.47Å; R2675-S2677 PolarHBondContact O-N 3.06Å; R2675-S2677 PolarHBondContact O-OG 2.88Å; S2677-R2679 PolarHBondContact O-N 2.75Å
2678	L	30	Very low	32	Very low	100.667 Å²	100.667	98.6 Å²	98.6	53%	0.527	50%	0.499	S	S	.	.			trans	-69.1	114.6	172.6	-72.7	174.5	0	0	0	110.9	T2676 N2680 I2681 Y2683 I2685 I2692 I2703 Y2705	T2676-L2678 PolarHBondContact OG1-N 3.43Å; L2678-N2680 VanDerWaalsContact C-N 3.33Å; L2678-N2680 PolarHBondContact O-N 2.92Å; L2678-I2681 HydrophobicContact CB-CG1 4.4Å; L2678-Y2683 HydrophobicContact CB-CD2 3.96Å; L2678-Y2683 HydrophobicContact CD2-CD2 3.9Å; L2678-Y2683 HydrophobicContact CD2-CE2 4.15Å; L2678-Y2683 HydrophobicContact CD2-CG 4.31Å; L2678-I2685 HydrophobicContact CD1-CD1 3.7Å; L2678-I2685 HydrophobicContact CD2-CD1 4.41Å; L2678-I2692 HydrophobicContact CD1-CD1 3.97Å; L2678-I2692 HydrophobicContact CD1-CG1 4.21Å; L2678-I2692 HydrophobicContact CD1-CG2 3.7Å; L2678-I2703 HydrophobicContact CD2-CD1 3.95Å; L2678-Y2705 HydrophobicContact CD1-CE1 4.04Å; L2678-Y2705 WeakPolarHBondContact CD1-OH 3.01Å
2679	R	30.9	Very low	31.6	Very low	171.667 Å²	171.667	100.1 Å²	100.1	65%	0.648	51%	0.506	S	S	*	.			trans	-57.1	62.5	179	-89.7	-177.7	179.4	169.5	-3.6	112.8	L2648 S2677 Y2698	L2648-R2679 CarbonylContact C-O 3.55Å; L2648-R2679 PolarHBondContact N-O 2.92Å; S2677-R2679 PolarHBondContact O-N 2.75Å; R2679-Y2698 WeakPolarHBondContact CD-OH 3.36Å; R2679-Y2698 PolarHBondContact NH1-OH 3.44Å
2680	N	30	Very low	31.4	Very low	103.333 Å²	103.333	98 Å²	98	55%	0.553	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.7	131.2	147.3	-83.2	-9.3	0	0	0	109	L2647 L2678 T2682 Y2683	L2647-N2680 HydrophobicContact CD2-CB 4.16Å; L2647-N2680 VanDerWaalsContact CD2-CG 3.45Å; L2647-N2680 VanDerWaalsContact CD2-OD1 3.24Å; L2647-N2680 WeakPolarHBondContact CD2-OD1 3.5Å; L2678-N2680 VanDerWaalsContact C-N 3.33Å; L2678-N2680 PolarHBondContact O-N 2.92Å; N2680-T2682 PolarHBondContact O-N 2.84Å; N2680-Y2683 HydrophobicContact CB-CD2 3.59Å; N2680-Y2683 HydrophobicContact CB-CE2 3.58Å; N2680-Y2683 HydrophobicContact CB-CG 4.23Å; N2680-Y2683 PolarHBondContact ND2-OH 2.87Å; N2680-Y2683 PolarHBondContact O-N 3.3Å
2681	I	33.8	Very low	31	Very low	98 Å²	98	98.9 Å²	98.9	50%	0.503	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	108.7	144.3	-60.1	171.4	0	0	0	108.4	I2674 T2676 L2678 Y2683 L2690	I2674-I2681 HydrophobicContact CG2-CD1 3.72Å; T2676-I2681 HydrophobicContact CG2-CD1 3.54Å; L2678-I2681 HydrophobicContact CB-CG1 4.4Å; I2681-Y2683 HydrophobicContact CG2-CD2 4.06Å; I2681-L2690 HydrophobicContact CG1-CD2 4.47Å; I2681-L2690 HydrophobicContact CG2-CD1 4.38Å; I2681-L2690 HydrophobicContact CG2-CD2 3.78Å; I2681-L2690 HydrophobicContact CG2-CG 3.92Å
2682	T	28.5	Very low	30.9	Very low	104.667 Å²	104.667	100.3 Å²	100.3	64%	0.642	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	104.2	169.7	17.2	0	0	0	0	110.7	I2645 N2680 I2691	I2645-T2682 HydrophobicContact CB-CG2 4.36Å; I2645-T2682 HydrophobicContact CD1-CG2 4.11Å; I2645-T2682 HydrophobicContact CG1-CG2 3.97Å; I2645-T2682 HydrophobicContact CG2-CG2 3.85Å; N2680-T2682 PolarHBondContact O-N 2.84Å; T2682-I2691 PolarHBondContact N-O 2.89Å; T2682-I2691 PolarHBondContact O-N 3.49Å; T2682-I2691 PolarHBondContact OG1-O 3.04Å
2683	Y	30.8	Very low	30.5	Very low	109.667 Å²	109.667	103.9 Å²	103.9	43%	0.43	53%	0.531	S	S	.	.			trans	-97.8	124.5	165.1	-116.2	-83.3	0	0	0	109.7	I2661 V2672 L2678 N2680 I2681 I2685	I2661-Y2683 HydrophobicContact CD1-CD1 4.39Å; V2672-Y2683 HydrophobicContact CG1-CE1 4.13Å; V2672-Y2683 HydrophobicContact CG1-CE2 4.19Å; V2672-Y2683 HydrophobicContact CG2-CE1 4.19Å; L2678-Y2683 HydrophobicContact CB-CD2 3.96Å; L2678-Y2683 HydrophobicContact CD2-CD2 3.9Å; L2678-Y2683 HydrophobicContact CD2-CE2 4.15Å; L2678-Y2683 HydrophobicContact CD2-CG 4.31Å; N2680-Y2683 HydrophobicContact CB-CD2 3.59Å; N2680-Y2683 HydrophobicContact CB-CE2 3.58Å; N2680-Y2683 HydrophobicContact CB-CG 4.23Å; N2680-Y2683 PolarHBondContact ND2-OH 2.87Å; N2680-Y2683 PolarHBondContact O-N 3.3Å; I2681-Y2683 HydrophobicContact CG2-CD2 4.06Å; Y2683-I2685 HydrophobicContact CD1-CD1 4.42Å; Y2683-I2685 HydrophobicContact CD1-CG1 4.15Å; Y2683-I2685 HydrophobicContact CE1-CG1 4.01Å
2684	S	29.2	Very low	30.2	Very low	62 Å²	62	104.3 Å²	104.3	43%	0.434	54%	0.537	S	S	.	.			trans	-107.6	105.4	162.1	87.9	0	0	0	0	109.8	E2686 S2687 S2688 Q2689	S2684-E2686 PolarHBondContact O-N 3.27Å; S2684-S2687 WeakPolarHBondContact CB-OG 3.37Å; S2684-S2687 PolarHBondContact O-N 2.64Å; S2684-S2687 PolarHBondContact OG-N 2.99Å; S2684-S2687 PolarHBondContact OG-OG 3.42Å; S2684-S2688 PolarHBondContact O-N 2.97Å; S2684-S2688 VanDerWaalsContact O-N 3.08Å; S2684-Q2689 PolarHBondContact N-O 3.44Å
2685	I	31.3	Very low	29.8	Very low	94 Å²	94	107.3 Å²	107.3	48%	0.482	55%	0.553	S	S	.	*			trans	-101.9	67.9	167.3	-59.5	177.5	0	0	0	106.5	V2644 Y2663 L2678 Y2683	V2644-I2685 HydrophobicContact CG2-CD1 3.96Å; Y2663-I2685 HydrophobicContact CD2-CG2 4.27Å; Y2663-I2685 HydrophobicContact CE2-CG2 3.75Å; L2678-I2685 HydrophobicContact CD1-CD1 3.7Å; L2678-I2685 HydrophobicContact CD2-CD1 4.41Å; Y2683-I2685 HydrophobicContact CD1-CD1 4.42Å; Y2683-I2685 HydrophobicContact CD1-CG1 4.15Å; Y2683-I2685 HydrophobicContact CE1-CG1 4.01Å
2686	E	28.4	Very low	29.5	Very low	145.667 Å²	145.667	104.7 Å²	104.7	68%	0.681	55%	0.55	S	S	*	.			trans	-47.5	85.2	141.6	-71	-173.4	146.7	0	0	111.1	K2641 S2684	K2641-E2686 WeakPolarHBondContact CD-OE1 3.48Å; K2641-E2686 VanDerWaalsContact CG-OE1 3.27Å; K2641-E2686 WeakPolarHBondContact CG-OE1 3.24Å; S2684-E2686 PolarHBondContact O-N 3.27Å
2687	S	29.6	Very low	29	Very low	70.6667 Å²	70.6667	104.7 Å²	104.7	49%	0.494	55%	0.546	S	S	.	.			trans	-106.9	95.9	179.3	67	0	0	0	0	112.9	S2684 Q2689	S2684-S2687 WeakPolarHBondContact CB-OG 3.37Å; S2684-S2687 PolarHBondContact O-N 2.64Å; S2684-S2687 PolarHBondContact OG-N 2.99Å; S2684-S2687 PolarHBondContact OG-OG 3.42Å; S2687-Q2689 PolarHBondContact O-N 3Å; S2687-Q2689 VanDerWaalsContact O-N 3.12Å; S2687-Q2689 WeakPolarHBondContact OG-CB 3.26Å; S2687-Q2689 PolarHBondContact OG-N 2.98Å; S2687-Q2689 VanDerWaalsContact OG-N 3.14Å
2688	S	28.7	Very low	28.9	Very low	96 Å²	96	106.9 Å²	106.9	67%	0.671	55%	0.547	S	S	*	.			trans	-98.7	90.9	-171	41.4	0	0	0	0	111.3	S2684	S2684-S2688 PolarHBondContact O-N 2.97Å; S2684-S2688 VanDerWaalsContact O-N 3.08Å
2689	Q	28.4	Very low	28.7	Very low	136.667 Å²	136.667	107 Å²	107	64%	0.639	54%	0.543	S	S	*	.			trans	-73.8	139	167.9	-66	170.8	-9.6	0	0	111	S2684 S2687	S2684-Q2689 PolarHBondContact N-O 3.44Å; S2687-Q2689 PolarHBondContact O-N 3Å; S2687-Q2689 VanDerWaalsContact O-N 3.12Å; S2687-Q2689 WeakPolarHBondContact OG-CB 3.26Å; S2687-Q2689 PolarHBondContact OG-N 2.98Å; S2687-Q2689 VanDerWaalsContact OG-N 3.14Å
2690	L	28.8	Very low	28.5	Very low	103 Å²	103	102.9 Å²	102.9	54%	0.539	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.9	175.8	-115.4	131.9	0	0	0	107.2	I2681 I2692 I2697 F2707	I2681-L2690 HydrophobicContact CG1-CD2 4.47Å; I2681-L2690 HydrophobicContact CG2-CD1 4.38Å; I2681-L2690 HydrophobicContact CG2-CD2 3.78Å; I2681-L2690 HydrophobicContact CG2-CG 3.92Å; L2690-I2692 HydrophobicContact CD2-CD1 4.32Å; L2690-I2692 HydrophobicContact CD2-CG1 3.76Å; L2690-I2697 HydrophobicContact CD2-CG2 3.95Å; L2690-F2707 HydrophobicContact CD1-CD2 3.97Å; L2690-F2707 HydrophobicContact CD1-CE2 3.72Å; L2690-F2707 HydrophobicContact CD1-CZ 4.41Å
2691	I	29.3	Very low	28.4	Very low	101.667 Å²	101.667	104.2 Å²	104.2	52%	0.521	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	112.7	139.8	-62.8	175.6	0	0	0	108.6	T2682	T2682-I2691 PolarHBondContact N-O 2.89Å; T2682-I2691 PolarHBondContact O-N 3.49Å; T2682-I2691 PolarHBondContact OG1-O 3.04Å
2692	I	28.8	Very low	28.1	Very low	99.3333 Å²	99.3333	103.5 Å²	103.5	51%	0.509	54%	0.535	S	S	.	.			trans	-69	113.1	162.3	-57.7	172.5	0	0	0	110.3	L2678 L2690 E2694 Y2705	L2678-I2692 HydrophobicContact CD1-CD1 3.97Å; L2678-I2692 HydrophobicContact CD1-CG1 4.21Å; L2678-I2692 HydrophobicContact CD1-CG2 3.7Å; L2690-I2692 HydrophobicContact CD2-CD1 4.32Å; L2690-I2692 HydrophobicContact CD2-CG1 3.76Å; I2692-E2694 HydrophobicContact CB-CG 4.32Å; I2692-E2694 HydrophobicContact CG2-CG 3.87Å; I2692-E2694 WeakPolarHBondContact CG2-OE1 3.25Å; I2692-E2694 PolarHBondContact O-N 3.48Å; I2692-E2694 VanDerWaalsContact O-N 3.08Å; I2692-Y2705 HydrophobicContact CD1-CE1 3.98Å
2693	N	29.1	Very low	28.1	Very low	132 Å²	132	102 Å²	102	71%	0.706	52%	0.523	S	S	*	.			trans	-110.2	121.2	149.6	-118.5	-5.9	0	0	0	108.3	N2695 N2696	N2693-N2695 PolarHBondContact O-N 3.13Å; N2693-N2696 PolarHBondContact O-N 3.36Å
2694	E	26.2	Very low	27.9	Very low	139 Å²	139	103 Å²	103	65%	0.65	53%	0.529	S	S	*	.			trans	-70.4	5.5	-164.2	-68.7	174.7	160.2	0	0	115.7	I2692 N2696	I2692-E2694 HydrophobicContact CB-CG 4.32Å; I2692-E2694 HydrophobicContact CG2-CG 3.87Å; I2692-E2694 WeakPolarHBondContact CG2-OE1 3.25Å; I2692-E2694 PolarHBondContact O-N 3.48Å; I2692-E2694 VanDerWaalsContact O-N 3.08Å; E2694-N2696 PolarHBondContact O-N 3.18Å
2695	N	25.6	Very low	27.9	Very low	112.333 Å²	112.333	105.3 Å²	105.3	60%	0.601	53%	0.529	S	S	*	.	S	Bend	trans	-85.5	23	172.6	-64.7	-15.5	0	0	0	115.8	W1900 N2693	W1900-N2695 HydrophobicContact CE3-CB 4.36Å; W1900-N2695 HydrophobicContact CZ3-CB 3.96Å; N2693-N2695 PolarHBondContact O-N 3.13Å
2696	N	25.9	Very low	27.7	Very low	82.6667 Å²	82.6667	105.9 Å²	105.9	44%	0.442	53%	0.53	S	S	.	.	S	Bend	trans	-145.1	120.8	168.5	-82.5	-58	0	0	0	111.4	N2693 E2694 Y2698	N2693-N2696 PolarHBondContact O-N 3.36Å; E2694-N2696 PolarHBondContact O-N 3.18Å; N2696-Y2698 HydrophobicContact CB-CD2 4.29Å; N2696-Y2698 HydrophobicContact CB-CE2 4.14Å; N2696-Y2698 VanDerWaalsContact O-CD2 3.29Å; N2696-Y2698 WeakPolarHBondContact O-CD2 2.99Å; N2696-Y2698 PolarHBondContact O-N 2.82Å; N2696-Y2698 WeakPolarHBondContact OD1-CE2 3.47Å
2697	I	25.1	Very low	27.8	Very low	82.3333 Å²	82.3333	103.3 Å²	103.3	42%	0.422	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.4	174.2	-60.6	174.1	0	0	0	109.7	L2690 Y2729 L2731 M2741	L2690-I2697 HydrophobicContact CD2-CG2 3.95Å; I2697-Y2729 HydrophobicContact CB-CD2 4.28Å; I2697-Y2729 HydrophobicContact CG2-CD2 3.96Å; I2697-Y2729 PolarHBondContact O-N 3.28Å; I2697-L2731 HydrophobicContact CD1-CD1 3.81Å; I2697-L2731 HydrophobicContact CG1-CD1 4.26Å; I2697-M2741 HydrophobicContact CD1-CE 4.34Å
2698	Y	27.7	Very low	27.8	Very low	99 Å²	99	104 Å²	104	39%	0.388	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-100.4	113.8	172.4	-65.2	-96	0	0	0	111.1	R2679 N2696 N2728	R2679-Y2698 WeakPolarHBondContact CD-OH 3.36Å; R2679-Y2698 PolarHBondContact NH1-OH 3.44Å; N2696-Y2698 HydrophobicContact CB-CD2 4.29Å; N2696-Y2698 HydrophobicContact CB-CE2 4.14Å; N2696-Y2698 VanDerWaalsContact O-CD2 3.29Å; N2696-Y2698 WeakPolarHBondContact O-CD2 2.99Å; N2696-Y2698 PolarHBondContact O-N 2.82Å; N2696-Y2698 WeakPolarHBondContact OD1-CE2 3.47Å; Y2698-N2728 WeakPolarHBondContact CD1-OD1 2.99Å; Y2698-N2728 WeakPolarHBondContact CE1-OD1 3.2Å
2699	K	26.6	Very low	27.9	Very low	102.667 Å²	102.667	103.5 Å²	103.5	45%	0.446	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.1	170.7	-79.4	-179.7	179.3	178.2	0	111.6	K2701 Q2727 Y2729	K2699-K2701 PolarHBondContact O-N 2.76Å; K2699-Q2727 HydrophobicContact CB-CB 3.83Å; K2699-Q2727 PolarHBondContact N-O 2.92Å; K2699-Q2727 VanDerWaalsContact N-O 3.08Å; K2699-Q2727 PolarHBondContact O-N 2.74Å; K2699-Y2729 HydrophobicContact CB-CE2 4.14Å; K2699-Y2729 HydrophobicContact CD-CE2 4.05Å; K2699-Y2729 HydrophobicContact CG-CE2 4.3Å
2700	N	26.5	Very low	27.9	Very low	86.6667 Å²	86.6667	101.2 Å²	101.2	46%	0.463	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	31.6	82	164.2	-69.1	-8.6	0	0	0	115.3	Y2729	N2700-Y2729 VanDerWaalsContact OD1-CD2 3.25Å; N2700-Y2729 WeakPolarHBondContact OD1-CD2 3.41Å
2701	K	27.7	Very low	28	Very low	130 Å²	130	104.4 Å²	104.4	57%	0.565	51%	0.508	S	S	*	.			trans	-126.7	107.7	158.2	-86.1	-166.3	172.5	-172.9	0	111	D2655 K2699 I2703 S2725	D2655-K2701 VanDerWaalsContact CG-NZ 3.35Å; D2655-K2701 IonicContact OD1-NZ 3.19Å; D2655-K2701 PolarHBondContact OD1-NZ 3.16Å; D2655-K2701 IonicContact OD2-NZ 3.78Å; D2655-K2701 PolarHBondContact OD2-NZ 3.25Å; K2699-K2701 PolarHBondContact O-N 2.76Å; K2701-I2703 PolarHBondContact O-N 2.93Å; K2701-S2725 CarbonylContact C-O 3.02Å; K2701-S2725 PolarHBondContact N-O 2.76Å; K2701-S2725 PolarHBondContact O-OG 3.25Å
2702	T	28.8	Very low	27.9	Very low	83.6667 Å²	83.6667	106.2 Å²	106.2	51%	0.513	52%	0.519	S	S	.	.			trans	-70.2	111.3	172.8	-10.5	0	0	0	0	110.4	K2704 Y2726	T2702-K2704 PolarHBondContact O-N 2.78Å; T2702-Y2726 HydrophobicContact CG2-CD1 3.87Å; T2702-Y2726 HydrophobicContact CG2-CE1 3.36Å
2703	I	28.3	Very low	28	Very low	73.6667 Å²	73.6667	104.7 Å²	104.7	38%	0.378	52%	0.517	S	S	.	.			trans	-86.7	101.9	174.7	-54.7	177.8	0	0	0	108.5	L2678 K2701 Y2705 F2723	L2678-I2703 HydrophobicContact CD2-CD1 3.95Å; K2701-I2703 PolarHBondContact O-N 2.93Å; I2703-Y2705 HydrophobicContact CB-CE2 3.83Å; I2703-Y2705 HydrophobicContact CG2-CD1 4.36Å; I2703-Y2705 HydrophobicContact CG2-CD2 3.93Å; I2703-Y2705 HydrophobicContact CG2-CE1 3.85Å; I2703-Y2705 HydrophobicContact CG2-CE2 3.46Å; I2703-Y2705 VanDerWaalsContact CG2-CE2 3.44Å; I2703-Y2705 HydrophobicContact CG2-CG 4.41Å; I2703-Y2705 PolarHBondContact O-N 2.86Å; I2703-F2723 WeakPolarHBondContact O-CB 3.16Å; I2703-F2723 VanDerWaalsContact O-O 3.07Å
2704	K	26.9	Very low	28.2	Very low	130 Å²	130	108.5 Å²	108.5	57%	0.565	53%	0.528	S	S	*	.			trans	-81.7	108	171.6	-83.8	-177.9	171.5	-164.1	0	110.1	T2702 E2706	T2702-K2704 PolarHBondContact O-N 2.78Å; K2704-E2706 HydrophobicContact CB-CG 4.25Å; K2704-E2706 HydrophobicContact CD-CG 4.39Å; K2704-E2706 VanDerWaalsContact CD-OE1 3.31Å; K2704-E2706 WeakPolarHBondContact CD-OE1 3.27Å; K2704-E2706 WeakPolarHBondContact CE-OE1 3.17Å; K2704-E2706 IonicContact NZ-OE1 2.8Å; K2704-E2706 PolarHBondContact NZ-OE1 2.98Å; K2704-E2706 IonicContact NZ-OE2 2.7Å; K2704-E2706 PolarHBondContact O-N 3.01Å
2705	Y	28.7	Very low	28.5	Very low	110.667 Å²	110.667	111.9 Å²	111.9	43%	0.434	54%	0.535	S	S	.	.			trans	-92.7	118.8	157.7	-62.6	-86.3	0	0	0	107.9	L2678 I2692 I2703 F2723	L2678-Y2705 HydrophobicContact CD1-CE1 4.04Å; L2678-Y2705 WeakPolarHBondContact CD1-OH 3.01Å; I2692-Y2705 HydrophobicContact CD1-CE1 3.98Å; I2703-Y2705 HydrophobicContact CB-CE2 3.83Å; I2703-Y2705 HydrophobicContact CG2-CD1 4.36Å; I2703-Y2705 HydrophobicContact CG2-CD2 3.93Å; I2703-Y2705 HydrophobicContact CG2-CE1 3.85Å; I2703-Y2705 HydrophobicContact CG2-CE2 3.46Å; I2703-Y2705 VanDerWaalsContact CG2-CE2 3.44Å; I2703-Y2705 HydrophobicContact CG2-CG 4.41Å; I2703-Y2705 PolarHBondContact O-N 2.86Å; Y2705-F2723 HydrophobicContact CD2-CB 4.29Å; Y2705-F2723 AromaticContact CD2-CD1 3.75Å; Y2705-F2723 HydrophobicContact CD2-CD1 4.01Å; Y2705-F2723 AromaticContact CD2-CD2 3.69Å; Y2705-F2723 HydrophobicContact CD2-CD2 3.69Å; Y2705-F2723 HydrophobicContact CD2-CE2 4.29Å; Y2705-F2723 HydrophobicContact CD2-CG 4.35Å; Y2705-F2723 AromaticContact CE2-CD1 3.9Å; Y2705-F2723 HydrophobicContact CE2-CD1 3.9Å; Y2705-F2723 HydrophobicContact CE2-CD2 4.49Å; Y2705-F2723 HydrophobicContact CE2-CE1 4.49Å; Y2705-F2723 HydrophobicContact CG-CB 4.48Å; Y2705-F2723 HydrophobicContact CG-CD2 4.42Å; Y2705-F2723 PolarHBondContact N-O 3.02Å
2706	E	26.4	Very low	28.8	Very low	106 Å²	106	115.4 Å²	115.4	50%	0.495	54%	0.544	S	S	.	.			trans	-118	131.9	173.3	-69.7	-168.1	-179.8	0	0	110.3	K2704	K2704-E2706 HydrophobicContact CB-CG 4.25Å; K2704-E2706 HydrophobicContact CD-CG 4.39Å; K2704-E2706 VanDerWaalsContact CD-OE1 3.31Å; K2704-E2706 WeakPolarHBondContact CD-OE1 3.27Å; K2704-E2706 WeakPolarHBondContact CE-OE1 3.17Å; K2704-E2706 IonicContact NZ-OE1 2.8Å; K2704-E2706 PolarHBondContact NZ-OE1 2.98Å; K2704-E2706 IonicContact NZ-OE2 2.7Å; K2704-E2706 PolarHBondContact O-N 3.01Å
2707	F	30.9	Very low	29.1	Very low	91.6667 Å²	91.6667	116.5 Å²	116.5	40%	0.402	55%	0.545	S	S	.	.			trans	84.3	106	174.4	-116.6	-61.5	0	0	0	116.9	V2672 Y2673 I2674 L2690 N2709 D2718 K2720 I2721	V2672-F2707 HydrophobicContact CG1-CE1 3.93Å; V2672-F2707 HydrophobicContact CG1-CZ 3.73Å; Y2673-F2707 WeakPolarHBondContact O-CE2 3.38Å; Y2673-F2707 VanDerWaalsContact O-CZ 3.23Å; Y2673-F2707 WeakPolarHBondContact O-CZ 3.13Å; I2674-F2707 VanDerWaalsContact CA-CE2 3.41Å; I2674-F2707 HydrophobicContact CB-CE2 3.69Å; I2674-F2707 HydrophobicContact CB-CZ 4.08Å; I2674-F2707 HydrophobicContact CG1-CE2 3.47Å; I2674-F2707 VanDerWaalsContact CG1-CE2 3.47Å; I2674-F2707 HydrophobicContact CG1-CZ 3.42Å; I2674-F2707 VanDerWaalsContact CG1-CZ 3.42Å; I2674-F2707 HydrophobicContact CG2-CE2 3.9Å; L2690-F2707 HydrophobicContact CD1-CD2 3.97Å; L2690-F2707 HydrophobicContact CD1-CE2 3.72Å; L2690-F2707 HydrophobicContact CD1-CZ 4.41Å; F2707-N2709 HydrophobicContact CB-CB 4.42Å; F2707-N2709 HydrophobicContact CD1-CB 4.24Å; F2707-N2709 HydrophobicContact CE1-CB 4.26Å; F2707-N2709 WeakPolarHBondContact CE1-ND2 3.17Å; F2707-N2709 PolarHBondContact O-N 2.94Å; F2707-N2709 VanDerWaalsContact O-N 3.08Å; F2707-D2718 HydrophobicContact CE1-CB 3.98Å; F2707-D2718 WeakPolarHBondContact CE1-OD1 3.18Å; F2707-D2718 HydrophobicContact CZ-CB 4.41Å; F2707-K2720 HydrophobicContact CB-CG 4.16Å; F2707-K2720 HydrophobicContact CD1-CG 4.15Å; F2707-K2720 VanDerWaalsContact CD2-CE 3.48Å; F2707-K2720 HydrophobicContact CG-CG 4.06Å; F2707-I2721 PolarHBondContact O-N 2.88Å
2708	I	30	Very low	29.6	Very low	86 Å²	86	115.2 Å²	115.2	44%	0.441	54%	0.539	S	S	.	.			trans	-57.5	96.8	162	-55.5	179.8	0	0	0	109.2	V2710 I2719 I2721	I2708-V2710 HydrophobicContact CG2-CB 4.49Å; I2708-V2710 HydrophobicContact CG2-CG2 4.04Å; I2708-V2710 PolarHBondContact O-N 3.24Å; I2708-I2719 PolarHBondContact N-O 3.25Å; I2708-I2721 HydrophobicContact CD1-CB 4.5Å; I2708-I2721 HydrophobicContact CD1-CD1 3.74Å; I2708-I2721 HydrophobicContact CD1-CG1 4.08Å
2709	N	29.2	Very low	29.9	Very low	84.6667 Å²	84.6667	113 Å²	113	45%	0.453	53%	0.534	S	S	.	.			trans	-103.3	91	177.3	-156.4	-12.3	0	0	0	110.5	F2707 K2711	F2707-N2709 HydrophobicContact CB-CB 4.42Å; F2707-N2709 HydrophobicContact CD1-CB 4.24Å; F2707-N2709 HydrophobicContact CE1-CB 4.26Å; F2707-N2709 WeakPolarHBondContact CE1-ND2 3.17Å; F2707-N2709 PolarHBondContact O-N 2.94Å; F2707-N2709 VanDerWaalsContact O-N 3.08Å; N2709-K2711 VanDerWaalsContact C-N 3.26Å; N2709-K2711 PolarHBondContact O-N 3.35Å; N2709-K2711 VanDerWaalsContact O-N 3.13Å
2710	V	29.6	Very low	30.4	Very low	88.6667 Å²	88.6667	113 Å²	113	54%	0.537	53%	0.533	S	S	.	.			trans	-75.1	83.7	176.7	-177.7	0	0	0	0	109.2	I2708 N2712	I2708-V2710 HydrophobicContact CG2-CB 4.49Å; I2708-V2710 HydrophobicContact CG2-CG2 4.04Å; I2708-V2710 PolarHBondContact O-N 3.24Å; V2710-N2712 PolarHBondContact O-N 3Å; V2710-N2712 VanDerWaalsContact O-N 3.09Å
2711	K	29.7	Very low	30.8	Very low	169.333 Å²	169.333	110.4 Å²	110.4	74%	0.736	52%	0.52	S	S	*	.			trans	-72.4	53.4	176.5	-77.9	-172.2	175.1	-178.6	0	112.8	N2709 S2713	N2709-K2711 VanDerWaalsContact C-N 3.26Å; N2709-K2711 PolarHBondContact O-N 3.35Å; N2709-K2711 VanDerWaalsContact O-N 3.13Å; K2711-S2713 PolarHBondContact O-N 2.85Å; K2711-S2713 VanDerWaalsContact O-N 3.1Å
2712	N	29.1	Very low	31.2	Very low	139 Å²	139	107.9 Å²	107.9	74%	0.743	51%	0.509	S	S	*	.			trans	-107.3	59.8	170.8	-96	-7	0	0	0	113.2	V2710 K2714 R2715	V2710-N2712 PolarHBondContact O-N 3Å; V2710-N2712 VanDerWaalsContact O-N 3.09Å; N2712-K2714 PolarHBondContact O-N 2.82Å; N2712-R2715 PolarHBondContact O-N 2.99Å
2713	S	29.4	Very low	31.4	Very low	69.3333 Å²	69.3333	107 Å²	107	49%	0.485	50%	0.497	S	S	.	.	S	Bend	trans	-120.6	117.9	171	63.8	0	0	0	0	113.3	K2711 R2715 K2717	K2711-S2713 PolarHBondContact O-N 2.85Å; K2711-S2713 VanDerWaalsContact O-N 3.1Å; S2713-R2715 CarbonylContact O-C 3.53Å; S2713-R2715 PolarHBondContact O-N 3.09Å; S2713-R2715 VanDerWaalsContact O-O 3.04Å; S2713-R2715 PolarHBondContact OG-O 2.79Å; S2713-K2717 WeakPolarHBondContact OG-CD 3.3Å; S2713-K2717 WeakPolarHBondContact OG-CE 3.44Å; S2713-K2717 WeakPolarHBondContact OG-CG 3.2Å
2714	K	35	Very low	31.8	Very low	212 Å²	212	104.5 Å²	104.5	92%	0.922	49%	0.485	S	S	*	.	S	Bend	trans	-82.2	7.8	-178.5	-67.6	-175.7	176.2	-179.7	0	115.4	N2712	N2712-K2714 PolarHBondContact O-N 2.82Å
2715	R	31.9	Very low	32.1	Very low	210 Å²	210	100.1 Å²	100.1	79%	0.792	47%	0.47	S	S	*	.	S	Bend	trans	-139.5	135.9	171	-69.6	-174.2	174.8	170.7	-1.9	109.5	N2712 S2713 K2717	N2712-R2715 PolarHBondContact O-N 2.99Å; S2713-R2715 CarbonylContact O-C 3.53Å; S2713-R2715 PolarHBondContact O-N 3.09Å; S2713-R2715 VanDerWaalsContact O-O 3.04Å; S2713-R2715 PolarHBondContact OG-O 2.79Å; R2715-K2717 HydrophobicContact CB-CG 4.48Å; R2715-K2717 PolarHBondContact O-N 2.94Å
2716	K	31	Very low	32.4	Very low	185.333 Å²	185.333	99.2 Å²	99.2	81%	0.806	47%	0.467	S	S	*	.			trans	-62.2	89.4	171.9	-72.4	-179.3	178.3	175.7	0	109.9	D2718 N2754	K2716-D2718 PolarHBondContact O-N 3.23Å; K2716-N2754 PolarHBondContact O-ND2 2.96Å
2717	K	32.7	Very low	32.6	Very low	105.333 Å²	105.333	96.8 Å²	96.8	46%	0.458	46%	0.456	S	S	.	.			trans	-98.1	87.3	171.6	-76.7	-168.7	-179.3	-173.2	0	107.8	S2713 R2715 I2719 I2755 H2790	S2713-K2717 WeakPolarHBondContact OG-CD 3.3Å; S2713-K2717 WeakPolarHBondContact OG-CE 3.44Å; S2713-K2717 WeakPolarHBondContact OG-CG 3.2Å; R2715-K2717 HydrophobicContact CB-CG 4.48Å; R2715-K2717 PolarHBondContact O-N 2.94Å; K2717-I2719 VanDerWaalsContact C-N 3.28Å; K2717-I2719 PolarHBondContact O-N 3.04Å; K2717-I2755 HydrophobicContact CB-CD1 3.77Å; K2717-I2755 HydrophobicContact CB-CG1 4.41Å; K2717-I2755 HydrophobicContact CD-CD1 4.31Å; K2717-I2755 HydrophobicContact CG-CD1 4.15Å; K2717-I2755 HydrophobicContact CG-CG1 4.45Å; K2717-H2790 PolarHBondContact NZ-NE2 3.02Å
2718	D	34.8	Very low	32.5	Very low	56.3333 Å²	56.3333	95.7 Å²	95.7	30%	0.301	45%	0.454	S	S	.	.			trans	-84.5	103.8	179.5	-71.8	14	0	0	0	108.7	F2707 K2716 K2720 N2754	F2707-D2718 HydrophobicContact CE1-CB 3.98Å; F2707-D2718 WeakPolarHBondContact CE1-OD1 3.18Å; F2707-D2718 HydrophobicContact CZ-CB 4.41Å; K2716-D2718 PolarHBondContact O-N 3.23Å; D2718-K2720 PolarHBondContact O-N 2.75Å; D2718-K2720 WeakPolarHBondContact OD2-CE 3.44Å; D2718-K2720 IonicContact OD2-NZ 3.65Å; D2718-K2720 PolarHBondContact OD2-NZ 2.99Å; D2718-N2754 PolarHBondContact N-OD1 3.45Å; D2718-N2754 PolarHBondContact O-OD1 3.09Å
2719	I	35.6	Very low	32.5	Very low	53 Å²	53	93.9 Å²	93.9	27%	0.272	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	99.9	165.4	-56.7	176.1	0	0	0	106.3	I2708 K2717 I2721 L2751 T2753 I2755	I2708-I2719 PolarHBondContact N-O 3.25Å; K2717-I2719 VanDerWaalsContact C-N 3.28Å; K2717-I2719 PolarHBondContact O-N 3.04Å; I2719-I2721 VanDerWaalsContact C-N 3.27Å; I2719-I2721 HydrophobicContact CG2-CD1 4.25Å; I2719-I2721 HydrophobicContact CG2-CG1 3.92Å; I2719-I2721 PolarHBondContact O-N 2.98Å; I2719-L2751 HydrophobicContact CG2-CD2 3.81Å; I2719-T2753 HydrophobicContact CB-CG2 4.42Å; I2719-T2753 HydrophobicContact CG1-CG2 4.4Å; I2719-T2753 HydrophobicContact CG2-CG2 4.2Å; I2719-I2755 HydrophobicContact CD1-CD1 4.03Å; I2719-I2755 HydrophobicContact CG1-CD1 3.51Å; I2719-I2755 VanDerWaalsContact CG1-CD1 3.45Å; I2719-I2755 HydrophobicContact CG1-CG1 4.47Å
2720	K	35.6	Very low	32.4	Very low	100.667 Å²	100.667	93.7 Å²	93.7	44%	0.438	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	103.1	174.9	-77.4	-179	-179.5	177.8	0	108.9	F2707 D2718 K2722 N2752	F2707-K2720 HydrophobicContact CB-CG 4.16Å; F2707-K2720 HydrophobicContact CD1-CG 4.15Å; F2707-K2720 VanDerWaalsContact CD2-CE 3.48Å; F2707-K2720 HydrophobicContact CG-CG 4.06Å; D2718-K2720 PolarHBondContact O-N 2.75Å; D2718-K2720 WeakPolarHBondContact OD2-CE 3.44Å; D2718-K2720 IonicContact OD2-NZ 3.65Å; D2718-K2720 PolarHBondContact OD2-NZ 2.99Å; K2720-K2722 PolarHBondContact O-N 2.88Å; K2720-N2752 HydrophobicContact CB-CB 3.94Å; K2720-N2752 PolarHBondContact N-O 3.3Å; K2720-N2752 PolarHBondContact O-N 3.16Å
2721	I	35	Very low	32.3	Very low	33.6667 Å²	33.6667	93.9 Å²	93.9	17%	0.173	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	113	170.4	-50	-172.4	0	0	0	107.3	F2707 I2708 I2719 F2723 F2749 I2750 L2751 F2792	F2707-I2721 PolarHBondContact O-N 2.88Å; I2708-I2721 HydrophobicContact CD1-CB 4.5Å; I2708-I2721 HydrophobicContact CD1-CD1 3.74Å; I2708-I2721 HydrophobicContact CD1-CG1 4.08Å; I2719-I2721 VanDerWaalsContact C-N 3.27Å; I2719-I2721 HydrophobicContact CG2-CD1 4.25Å; I2719-I2721 HydrophobicContact CG2-CG1 3.92Å; I2719-I2721 PolarHBondContact O-N 2.98Å; I2721-F2723 HydrophobicContact CG2-CD2 4.33Å; I2721-F2723 HydrophobicContact CG2-CE2 4.11Å; I2721-F2749 HydrophobicContact CG2-CB 4.36Å; I2721-F2749 HydrophobicContact CG2-CD1 3.68Å; I2721-F2749 HydrophobicContact CG2-CG 4.42Å; I2721-I2750 CarbonylContact C-O 3.47Å; I2721-I2750 WeakPolarHBondContact CA-O 3.47Å; I2721-L2751 HydrophobicContact CD1-CD2 4.24Å; I2721-L2751 HydrophobicContact CG1-CD1 4.21Å; I2721-L2751 HydrophobicContact CG1-CD2 3.97Å; I2721-F2792 HydrophobicContact CD1-CD2 4.46Å; I2721-F2792 HydrophobicContact CD1-CE1 4Å; I2721-F2792 HydrophobicContact CD1-CE2 3.73Å; I2721-F2792 HydrophobicContact CD1-CZ 3.47Å
2722	K	36	Very low	32.2	Very low	77 Å²	77	91.1 Å²	91.1	34%	0.335	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	106.2	173.1	177.3	-178.5	178.2	-173.7	0	108.4	K2720 I2724 F2749 I2750	K2720-K2722 PolarHBondContact O-N 2.88Å; K2722-I2724 HydrophobicContact CD-CD1 4.1Å; K2722-I2724 HydrophobicContact CD-CG1 3.95Å; K2722-I2724 HydrophobicContact CG-CD1 4.34Å; K2722-I2724 HydrophobicContact CG-CG1 4.04Å; K2722-F2749 CarbonylContact O-C 3.59Å; K2722-F2749 WeakPolarHBondContact O-CA 3.28Å; K2722-I2750 HydrophobicContact CB-CB 4.22Å; K2722-I2750 HydrophobicContact CD-CD1 4.28Å; K2722-I2750 PolarHBondContact N-O 2.85Å; K2722-I2750 PolarHBondContact O-N 3.16Å
2723	F	34.5	Very low	32.1	Very low	63.6667 Å²	63.6667	89.3 Å²	89.3	28%	0.279	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.6	169.9	-145.7	-96	0	0	0	109.5	I2703 Y2705 I2721 A2747 F2749	I2703-F2723 WeakPolarHBondContact O-CB 3.16Å; I2703-F2723 VanDerWaalsContact O-O 3.07Å; Y2705-F2723 HydrophobicContact CD2-CB 4.29Å; Y2705-F2723 AromaticContact CD2-CD1 3.75Å; Y2705-F2723 HydrophobicContact CD2-CD1 4.01Å; Y2705-F2723 AromaticContact CD2-CD2 3.69Å; Y2705-F2723 HydrophobicContact CD2-CD2 3.69Å; Y2705-F2723 HydrophobicContact CD2-CE2 4.29Å; Y2705-F2723 HydrophobicContact CD2-CG 4.35Å; Y2705-F2723 AromaticContact CE2-CD1 3.9Å; Y2705-F2723 HydrophobicContact CE2-CD1 3.9Å; Y2705-F2723 HydrophobicContact CE2-CD2 4.49Å; Y2705-F2723 HydrophobicContact CE2-CE1 4.49Å; Y2705-F2723 HydrophobicContact CG-CB 4.48Å; Y2705-F2723 HydrophobicContact CG-CD2 4.42Å; Y2705-F2723 PolarHBondContact N-O 3.02Å; I2721-F2723 HydrophobicContact CG2-CD2 4.33Å; I2721-F2723 HydrophobicContact CG2-CE2 4.11Å; F2723-A2747 HydrophobicContact CE2-CB 4.14Å; F2723-A2747 HydrophobicContact CZ-CB 4.25Å; F2723-F2749 HydrophobicContact CD2-CB 4.22Å; F2723-F2749 HydrophobicContact CD2-CD1 4.17Å; F2723-F2749 AromaticContact CD2-CE1 3.76Å; F2723-F2749 HydrophobicContact CD2-CE1 3.76Å; F2723-F2749 HydrophobicContact CD2-CZ 4.25Å
2724	I	36.6	Very low	32.1	Very low	22.3333 Å²	22.3333	92.4 Å²	92.4	12%	0.115	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.9	176.6	-52.7	-177.5	0	0	0	108.2	K2722 Y2726 A2747 G2748 I2750	K2722-I2724 HydrophobicContact CD-CD1 4.1Å; K2722-I2724 HydrophobicContact CD-CG1 3.95Å; K2722-I2724 HydrophobicContact CG-CD1 4.34Å; K2722-I2724 HydrophobicContact CG-CG1 4.04Å; I2724-Y2726 HydrophobicContact CB-CE2 4.45Å; I2724-Y2726 HydrophobicContact CG2-CD1 4.14Å; I2724-Y2726 HydrophobicContact CG2-CD2 3.65Å; I2724-Y2726 HydrophobicContact CG2-CE1 3.77Å; I2724-Y2726 HydrophobicContact CG2-CE2 3.8Å; I2724-Y2726 HydrophobicContact CG2-CG 4.15Å; I2724-Y2726 VanDerWaalsContact CG2-CZ 3.46Å; I2724-A2747 WeakPolarHBondContact O-CA 3.33Å; I2724-G2748 PolarHBondContact N-O 2.98Å; I2724-G2748 PolarHBondContact O-N 3.16Å; I2724-G2748 VanDerWaalsContact O-O 3.09Å; I2724-I2750 HydrophobicContact CD1-CD1 3.48Å; I2724-I2750 HydrophobicContact CD1-CG1 3.87Å; I2724-I2750 HydrophobicContact CG1-CD1 4.47Å; I2724-I2750 HydrophobicContact CG1-CG1 4.44Å
2725	S	33.2	Very low	31.8	Very low	37 Å²	37	90.1 Å²	90.1	26%	0.259	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.9	163	41.2	0	0	0	0	109.5	K2701 Y2746	K2701-S2725 CarbonylContact C-O 3.02Å; K2701-S2725 PolarHBondContact N-O 2.76Å; K2701-S2725 PolarHBondContact O-OG 3.25Å; S2725-Y2746 CarbonylContact C-O 3.46Å; S2725-Y2746 WeakPolarHBondContact CA-O 3.36Å; S2725-Y2746 WeakPolarHBondContact CB-O 3.15Å
2726	Y	33.2	Very low	31.7	Very low	92.6667 Å²	92.6667	90.3 Å²	90.3	36%	0.363	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.1	169.7	-69.5	-77.5	0	0	0	109	T2702 I2724 Y2746 Y2848	T2702-Y2726 HydrophobicContact CG2-CD1 3.87Å; T2702-Y2726 HydrophobicContact CG2-CE1 3.36Å; I2724-Y2726 HydrophobicContact CB-CE2 4.45Å; I2724-Y2726 HydrophobicContact CG2-CD1 4.14Å; I2724-Y2726 HydrophobicContact CG2-CD2 3.65Å; I2724-Y2726 HydrophobicContact CG2-CE1 3.77Å; I2724-Y2726 HydrophobicContact CG2-CE2 3.8Å; I2724-Y2726 HydrophobicContact CG2-CG 4.15Å; I2724-Y2726 VanDerWaalsContact CG2-CZ 3.46Å; Y2726-Y2746 AromaticContact CD2-CD1 3.85Å; Y2726-Y2746 HydrophobicContact CD2-CD1 3.85Å; Y2726-Y2746 HydrophobicContact CD2-CD2 4.25Å; Y2726-Y2746 HydrophobicContact CD2-CE1 4.46Å; Y2726-Y2746 AromaticContact CD2-CG 3.71Å; Y2726-Y2746 HydrophobicContact CD2-CG 3.71Å; Y2726-Y2746 HydrophobicContact CE2-CD1 4.46Å; Y2726-Y2746 HydrophobicContact CG-CG 4.45Å; Y2726-Y2746 PolarHBondContact N-O 2.97Å; Y2726-Y2746 PolarHBondContact O-N 3.24Å; Y2726-Y2848 HydrophobicContact CE2-CE1 4.06Å; Y2726-Y2848 PolarHBondContact OH-OH 3.31Å
2727	Q	31.9	Very low	31.4	Very low	56 Å²	56	84.7 Å²	84.7	26%	0.262	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	102.8	161.4	-74.1	-170.2	-20.6	0	0	107.7	K2699 Y2729 Q2745	K2699-Q2727 HydrophobicContact CB-CB 3.83Å; K2699-Q2727 PolarHBondContact N-O 2.92Å; K2699-Q2727 VanDerWaalsContact N-O 3.08Å; K2699-Q2727 PolarHBondContact O-N 2.74Å; Q2727-Y2729 PolarHBondContact O-N 3.42Å; Q2727-Q2745 HydrophobicContact CG-CG 4.26Å; Q2727-Q2745 VanDerWaalsContact NE2-NE2 3.18Å
2728	N	29	Very low	31.2	Very low	67 Å²	67	86.8 Å²	86.8	36%	0.358	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	109.8	171.7	-88.4	8	0	0	0	109.5	Y2698 I2730 L2744 Y2746	Y2698-N2728 WeakPolarHBondContact CD1-OD1 2.99Å; Y2698-N2728 WeakPolarHBondContact CE1-OD1 3.2Å; N2728-I2730 PolarHBondContact O-N 3.27Å; N2728-L2744 HydrophobicContact CB-CB 4.04Å; N2728-L2744 PolarHBondContact N-O 2.6Å; N2728-L2744 PolarHBondContact O-N 3.12Å; N2728-L2744 VanDerWaalsContact O-N 3.09Å; N2728-Y2746 HydrophobicContact CB-CE2 3.99Å; N2728-Y2746 PolarHBondContact ND2-OH 3.37Å
2729	Y	28.6	Very low	30.8	Very low	49.3333 Å²	49.3333	90.9 Å²	90.9	19%	0.193	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	103.2	159	-76	-90.1	0	0	0	108.2	I2697 K2699 N2700 Q2727 L2731 M2741 R2743	I2697-Y2729 HydrophobicContact CB-CD2 4.28Å; I2697-Y2729 HydrophobicContact CG2-CD2 3.96Å; I2697-Y2729 PolarHBondContact O-N 3.28Å; K2699-Y2729 HydrophobicContact CB-CE2 4.14Å; K2699-Y2729 HydrophobicContact CD-CE2 4.05Å; K2699-Y2729 HydrophobicContact CG-CE2 4.3Å; N2700-Y2729 VanDerWaalsContact OD1-CD2 3.25Å; N2700-Y2729 WeakPolarHBondContact OD1-CD2 3.41Å; Q2727-Y2729 PolarHBondContact O-N 3.42Å; Y2729-L2731 VanDerWaalsContact C-N 3.25Å; Y2729-L2731 HydrophobicContact CD1-CD2 4.49Å; Y2729-L2731 HydrophobicContact CD1-CG 4.34Å; Y2729-L2731 PolarHBondContact O-N 3.45Å; Y2729-L2731 VanDerWaalsContact O-N 3.09Å; Y2729-M2741 HydrophobicContact CD1-CE 3.97Å; Y2729-M2741 HydrophobicContact CD1-SD 4.15Å; Y2729-M2741 HydrophobicContact CE1-CE 4.2Å; Y2729-M2741 HydrophobicContact CG-CE 3.95Å; Y2729-R2743 HydrophobicContact CE1-CG 4.27Å
2730	I	28.5	Very low	30.6	Very low	81 Å²	81	95 Å²	95	42%	0.415	49%	0.487	S	S	.	.			trans	-77.2	102.9	165.6	-59	-178	0	0	0	106.5	N2728 D2732 L2744	N2728-I2730 PolarHBondContact O-N 3.27Å; I2730-D2732 VanDerWaalsContact C-N 3.26Å; I2730-D2732 HydrophobicContact CG2-CB 4.29Å; I2730-D2732 PolarHBondContact O-N 3.01Å; I2730-D2732 VanDerWaalsContact O-N 3.13Å; I2730-L2744 HydrophobicContact CD1-CD1 3.73Å; I2730-L2744 HydrophobicContact CG1-CD1 4.36Å
2731	L	25.9	Very low	30.2	Very low	91 Å²	91	94.2 Å²	94.2	48%	0.476	49%	0.486	S	S	.	.			trans	-82.9	94.3	164.4	-87.6	155.6	0	0	0	107.1	I2697 Y2729 S2733 M2741	I2697-L2731 HydrophobicContact CD1-CD1 3.81Å; I2697-L2731 HydrophobicContact CG1-CD1 4.26Å; Y2729-L2731 VanDerWaalsContact C-N 3.25Å; Y2729-L2731 HydrophobicContact CD1-CD2 4.49Å; Y2729-L2731 HydrophobicContact CD1-CG 4.34Å; Y2729-L2731 PolarHBondContact O-N 3.45Å; Y2729-L2731 VanDerWaalsContact O-N 3.09Å; L2731-S2733 VanDerWaalsContact C-N 3.29Å; L2731-S2733 PolarHBondContact O-N 3.11Å; L2731-S2733 VanDerWaalsContact O-N 3.14Å; L2731-S2733 PolarHBondContact O-OG 2.93Å; L2731-M2741 HydrophobicContact CG-SD 4.05Å
2732	D	28.2	Very low	29.9	Very low	111.333 Å²	111.333	98 Å²	98	60%	0.595	50%	0.503	S	S	*	.			trans	-67.3	100.8	169.2	-148.9	13.9	0	0	0	107.5	I2730 D2734	I2730-D2732 VanDerWaalsContact C-N 3.26Å; I2730-D2732 HydrophobicContact CG2-CB 4.29Å; I2730-D2732 PolarHBondContact O-N 3.01Å; I2730-D2732 VanDerWaalsContact O-N 3.13Å; D2732-D2734 PolarHBondContact O-N 2.96Å; D2732-D2734 VanDerWaalsContact O-N 3.15Å
2733	S	28.1	Very low	29.6	Very low	101.667 Å²	101.667	100.5 Å²	100.5	71%	0.711	51%	0.51	S	S	*	.			trans	-79.7	-8	-165.8	28.3	0	0	0	0	114.2	L2731	L2731-S2733 VanDerWaalsContact C-N 3.29Å; L2731-S2733 PolarHBondContact O-N 3.11Å; L2731-S2733 VanDerWaalsContact O-N 3.14Å; L2731-S2733 PolarHBondContact O-OG 2.93Å
2734	D	29.5	Very low	29.5	Very low	134 Å²	134	99.6 Å²	99.6	72%	0.717	51%	0.508	S	S	*	.	S	Bend	trans	-118.1	21.7	-164.1	-82.2	-3.5	0	0	0	113.7	D2732	D2732-D2734 PolarHBondContact O-N 2.96Å; D2732-D2734 VanDerWaalsContact O-N 3.15Å
2735	K	28.6	Very low	29.3	Very low	163.333 Å²	163.333	101.8 Å²	101.8	71%	0.71	52%	0.518	S	S	*	.			trans	-136.2	129.9	170.2	-82.1	166.6	-175.3	172.1	0	112.4	G2737	K2735-G2737 PolarHBondContact O-N 2.78Å
2736	K	28.2	Very low	29.4	Very low	215.333 Å²	215.333	102.7 Å²	102.7	94%	0.936	52%	0.516	S	S	*	.			trans	-83.7	122.7	171	-65.1	178.5	178.5	178.4	0	109.4
2737	G	26.6	Very low	29.4	Very low	66.3333 Å²	66.3333	99.6 Å²	99.6	68%	0.684	51%	0.509	S	S	*	.	S	Bend	trans	135.6	130.9	173.5	0	0	0	0	0	112.8	K2735 D2739	K2735-G2737 PolarHBondContact O-N 2.78Å; G2737-D2739 PolarHBondContact O-N 3.24Å
2738	D	28.1	Very low	29.4	Very low	149.333 Å²	149.333	97.2 Å²	97.2	80%	0.799	50%	0.5	S	S	*	.			trans	-35.4	107.3	174.1	-55.5	-27.8	0	0	0	115.4	H2740 K3282	D2738-H2740 PolarHBondContact O-N 3.49Å; D2738-K3282 IonicContact OD2-NZ 3.64Å; D2738-K3282 PolarHBondContact OD2-NZ 2.87Å; D2738-K3282 VanDerWaalsContact OD2-NZ 3.15Å
2739	D	26.5	Very low	29.8	Very low	143 Å²	143	96.4 Å²	96.4	77%	0.765	49%	0.493	S	S	*	.			trans	-158	108.9	154.2	-114.9	-11.9	0	0	0	115	G2737	G2737-D2739 PolarHBondContact O-N 3.24Å
2740	H	29.7	Very low	30.3	Very low	138.667 Å²	138.667	95.6 Å²	95.6	64%	0.642	49%	0.492	S	S	*	.			trans	20.4	100	165.7	-63	-49.8	0	0	0	118.3	D2738 E2742	D2738-H2740 PolarHBondContact O-N 3.49Å; H2740-E2742 PolarHBondContact O-N 2.98Å; H2740-E2742 VanDerWaalsContact O-N 3.14Å
2741	M	27.8	Very low	30.7	Very low	85 Å²	85	93 Å²	93	42%	0.419	48%	0.479	S	S	.	.			trans	-88.1	97.1	165.1	-71.4	-106.2	-82.9	0	0	110.7	I2697 Y2729 L2731 R2743	I2697-M2741 HydrophobicContact CD1-CE 4.34Å; Y2729-M2741 HydrophobicContact CD1-CE 3.97Å; Y2729-M2741 HydrophobicContact CD1-SD 4.15Å; Y2729-M2741 HydrophobicContact CE1-CE 4.2Å; Y2729-M2741 HydrophobicContact CG-CE 3.95Å; L2731-M2741 HydrophobicContact CG-SD 4.05Å; M2741-R2743 WeakPolarHBondContact O-CG 3.39Å; M2741-R2743 PolarHBondContact O-N 3.25Å
2742	E	29	Very low	31.4	Very low	113.667 Å²	113.667	92 Å²	92	53%	0.531	47%	0.474	S	S	.	.			trans	-62.1	106.9	174.5	-73.9	-163.1	144.4	0	0	111.6	H2740 L2744 K2769	H2740-E2742 PolarHBondContact O-N 2.98Å; H2740-E2742 VanDerWaalsContact O-N 3.14Å; E2742-L2744 VanDerWaalsContact C-N 3.31Å; E2742-L2744 PolarHBondContact O-N 3.16Å; E2742-K2769 WeakPolarHBondContact OE1-CE 3.35Å; E2742-K2769 IonicContact OE1-NZ 3.43Å; E2742-K2769 PolarHBondContact OE1-NZ 3.14Å
2743	R	30	Very low	31.9	Very low	129.667 Å²	129.667	87.5 Å²	87.5	49%	0.489	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	79.7	179.8	-71.5	-175.2	171.5	173.2	-0.6	112.3	Y2729 M2741 Q2745 E2802 H2804	Y2729-R2743 HydrophobicContact CE1-CG 4.27Å; M2741-R2743 WeakPolarHBondContact O-CG 3.39Å; M2741-R2743 PolarHBondContact O-N 3.25Å; R2743-Q2745 PolarHBondContact O-N 3.21Å; R2743-Q2745 VanDerWaalsContact O-N 3.13Å; R2743-E2802 WeakPolarHBondContact CB-OE2 3.42Å; R2743-H2804 VanDerWaalsContact C-CE1 3.46Å; R2743-H2804 PolarHBondContact O-CE1 3.27Å; R2743-H2804 PolarHBondContact O-ND1 2.77Å; R2743-H2804 PolarHBondContact O-NE2 3.28Å
2744	L	31.8	Very low	32.5	Very low	44.3333 Å²	44.3333	87.4 Å²	87.4	23%	0.232	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	96.4	172.8	-70.6	170.9	0	0	0	112	N2728 I2730 E2742 Y2746 K2766	N2728-L2744 HydrophobicContact CB-CB 4.04Å; N2728-L2744 PolarHBondContact N-O 2.6Å; N2728-L2744 PolarHBondContact O-N 3.12Å; N2728-L2744 VanDerWaalsContact O-N 3.09Å; I2730-L2744 HydrophobicContact CD1-CD1 3.73Å; I2730-L2744 HydrophobicContact CG1-CD1 4.36Å; E2742-L2744 VanDerWaalsContact C-N 3.31Å; E2742-L2744 PolarHBondContact O-N 3.16Å; L2744-Y2746 HydrophobicContact CB-CD2 4.34Å; L2744-Y2746 HydrophobicContact CB-CE2 4.05Å; L2744-Y2746 HydrophobicContact CD1-CE2 4.39Å; L2744-Y2746 HydrophobicContact CG-CE2 4.46Å; L2744-K2766 HydrophobicContact CD2-CG 4.49Å
2745	Q	32.1	Very low	32.8	Very low	69 Å²	69	84.3 Å²	84.3	32%	0.322	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.9	169.2	-62.3	-169.4	6.9	0	0	109.9	Q2727 R2743 I2767 H2804	Q2727-Q2745 HydrophobicContact CG-CG 4.26Å; Q2727-Q2745 VanDerWaalsContact NE2-NE2 3.18Å; R2743-Q2745 PolarHBondContact O-N 3.21Å; R2743-Q2745 VanDerWaalsContact O-N 3.13Å; Q2745-I2767 HydrophobicContact CB-CD1 4.47Å; Q2745-H2804 HydrophobicContact CB-CB 4.28Å; Q2745-H2804 PolarHBondContact N-ND1 2.96Å
2746	Y	35.5	Very low	33.3	Very low	56 Å²	56	78.2 Å²	78.2	22%	0.22	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.8	172.9	-63.4	-90.4	0	0	0	109.7	S2725 Y2726 N2728 L2744 K2766 L2807 F2809	S2725-Y2746 CarbonylContact C-O 3.46Å; S2725-Y2746 WeakPolarHBondContact CA-O 3.36Å; S2725-Y2746 WeakPolarHBondContact CB-O 3.15Å; Y2726-Y2746 AromaticContact CD2-CD1 3.85Å; Y2726-Y2746 HydrophobicContact CD2-CD1 3.85Å; Y2726-Y2746 HydrophobicContact CD2-CD2 4.25Å; Y2726-Y2746 HydrophobicContact CD2-CE1 4.46Å; Y2726-Y2746 AromaticContact CD2-CG 3.71Å; Y2726-Y2746 HydrophobicContact CD2-CG 3.71Å; Y2726-Y2746 HydrophobicContact CE2-CD1 4.46Å; Y2726-Y2746 HydrophobicContact CG-CG 4.45Å; Y2726-Y2746 PolarHBondContact N-O 2.97Å; Y2726-Y2746 PolarHBondContact O-N 3.24Å; N2728-Y2746 HydrophobicContact CB-CE2 3.99Å; N2728-Y2746 PolarHBondContact ND2-OH 3.37Å; L2744-Y2746 HydrophobicContact CB-CD2 4.34Å; L2744-Y2746 HydrophobicContact CB-CE2 4.05Å; L2744-Y2746 HydrophobicContact CD1-CE2 4.39Å; L2744-Y2746 HydrophobicContact CG-CE2 4.46Å; Y2746-K2766 HydrophobicContact CE1-CB 4.22Å; Y2746-K2766 HydrophobicContact CE1-CD 4.48Å; Y2746-K2766 HydrophobicContact CE1-CG 4.15Å; Y2746-L2807 HydrophobicContact CD1-CB 4.17Å; Y2746-L2807 HydrophobicContact CD1-CD1 3.62Å; Y2746-L2807 HydrophobicContact CE1-CB 3.66Å; Y2746-L2807 HydrophobicContact CE1-CD1 4.31Å; Y2746-L2807 HydrophobicContact CG-CD1 4.1Å; Y2746-F2809 HydrophobicContact CE1-CD2 4.48Å; Y2746-F2809 HydrophobicContact CE1-CE2 4.16Å
2747	A	34	Very low	33.7	Very low	26.3333 Å²	26.3333	76.2 Å²	76.2	22%	0.218	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.1	167.6	0	0	0	0	0	109.5	F2723 I2724 S2765 W2796 F2800 L2807	F2723-A2747 HydrophobicContact CE2-CB 4.14Å; F2723-A2747 HydrophobicContact CZ-CB 4.25Å; I2724-A2747 WeakPolarHBondContact O-CA 3.33Å; A2747-S2765 PolarHBondContact O-N 2.97Å; A2747-S2765 VanDerWaalsContact O-N 3.17Å; A2747-S2765 PolarHBondContact O-OG 3.45Å; A2747-W2796 HydrophobicContact CB-CH2 3.78Å; A2747-W2796 HydrophobicContact CB-CZ2 4.03Å; A2747-W2796 HydrophobicContact CB-CZ3 3.64Å; A2747-F2800 HydrophobicContact CB-CZ 4.25Å; A2747-L2807 PolarHBondContact O-N 3.15Å; A2747-L2807 VanDerWaalsContact O-N 3.12Å
2748	G	32.5	Very low	34.1	Very low	6 Å²	6	80.5 Å²	80.5	6%	0.062	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	160.3	176.9	0	0	0	0	0	114	I2724 I2763 L2807	I2724-G2748 PolarHBondContact N-O 2.98Å; I2724-G2748 PolarHBondContact O-N 3.16Å; I2724-G2748 VanDerWaalsContact O-O 3.09Å; G2748-I2763 WeakPolarHBondContact CA-O 3.43Å; G2748-L2807 WeakPolarHBondContact CA-O 3.41Å
2749	F	37.4	Very low	34.3	Very low	50.6667 Å²	50.6667	74.4 Å²	74.4	22%	0.222	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.7	177.1	22.6	-86.8	0	0	0	110.1	I2721 K2722 F2723 L2751 I2763 V2794 W2796 L2808 F2809 F2847	I2721-F2749 HydrophobicContact CG2-CB 4.36Å; I2721-F2749 HydrophobicContact CG2-CD1 3.68Å; I2721-F2749 HydrophobicContact CG2-CG 4.42Å; K2722-F2749 CarbonylContact O-C 3.59Å; K2722-F2749 WeakPolarHBondContact O-CA 3.28Å; F2723-F2749 HydrophobicContact CD2-CB 4.22Å; F2723-F2749 HydrophobicContact CD2-CD1 4.17Å; F2723-F2749 AromaticContact CD2-CE1 3.76Å; F2723-F2749 HydrophobicContact CD2-CE1 3.76Å; F2723-F2749 HydrophobicContact CD2-CZ 4.25Å; F2749-L2751 HydrophobicContact CD2-CD1 4.26Å; F2749-L2751 PolarHBondContact O-N 3.19Å; F2749-I2763 HydrophobicContact CD2-CB 4.5Å; F2749-I2763 HydrophobicContact CE1-CB 4.21Å; F2749-I2763 HydrophobicContact CE1-CG2 4.3Å; F2749-I2763 HydrophobicContact CE2-CB 3.81Å; F2749-I2763 HydrophobicContact CE2-CD1 3.74Å; F2749-I2763 HydrophobicContact CE2-CG1 3.84Å; F2749-I2763 HydrophobicContact CZ-CB 3.65Å; F2749-I2763 HydrophobicContact CZ-CD1 4.12Å; F2749-I2763 HydrophobicContact CZ-CG1 4.03Å; F2749-I2763 HydrophobicContact CZ-CG2 3.89Å; F2749-V2794 HydrophobicContact CE1-CG1 4.41Å; F2749-V2794 HydrophobicContact CE2-CG1 3.76Å; F2749-V2794 HydrophobicContact CZ-CG1 3.47Å; F2749-V2794 VanDerWaalsContact CZ-CG1 3.47Å; F2749-W2796 HydrophobicContact CE2-CH2 4.37Å; F2749-W2796 AromaticContact CE2-CZ2 3.65Å; F2749-W2796 HydrophobicContact CE2-CZ2 3.65Å; F2749-W2796 HydrophobicContact CZ-CZ2 4.27Å; F2749-L2808 HydrophobicContact CD2-CD1 4.28Å; F2749-F2809 CarbonylContact O-C 3.57Å; F2749-F2809 WeakPolarHBondContact O-CB 3.38Å; F2749-F2809 PolarHBondContact O-N 3.21Å; F2749-F2847 HydrophobicContact CE1-CB 4.29Å; F2749-F2847 HydrophobicContact CE2-CB 4.49Å; F2749-F2847 HydrophobicContact CE2-CD2 4.03Å; F2749-F2847 HydrophobicContact CZ-CB 3.92Å; F2749-F2847 HydrophobicContact CZ-CD2 4.05Å; F2749-F2847 HydrophobicContact CZ-CG 4.26Å
2750	I	38.1	Very low	34.8	Very low	32 Å²	32	69.1 Å²	69.1	16%	0.164	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.6	166.8	-58	-173.4	0	0	0	107.6	I2721 K2722 I2724 N2752 F2809 K2811	I2721-I2750 CarbonylContact C-O 3.47Å; I2721-I2750 WeakPolarHBondContact CA-O 3.47Å; K2722-I2750 HydrophobicContact CB-CB 4.22Å; K2722-I2750 HydrophobicContact CD-CD1 4.28Å; K2722-I2750 PolarHBondContact N-O 2.85Å; K2722-I2750 PolarHBondContact O-N 3.16Å; I2724-I2750 HydrophobicContact CD1-CD1 3.48Å; I2724-I2750 HydrophobicContact CD1-CG1 3.87Å; I2724-I2750 HydrophobicContact CG1-CD1 4.47Å; I2724-I2750 HydrophobicContact CG1-CG1 4.44Å; I2750-N2752 WeakPolarHBondContact CG2-OD1 3.46Å; I2750-N2752 PolarHBondContact O-N 3.14Å; I2750-F2809 WeakPolarHBondContact CA-O 3.41Å; I2750-F2809 HydrophobicContact CG1-CB 3.93Å; I2750-F2809 HydrophobicContact CG1-CG 4.46Å; I2750-K2811 HydrophobicContact CG2-CB 4.19Å
2751	L	37.7	Very low	35.2	Very low	26.6667 Å²	26.6667	63.2 Å²	63.2	14%	0.14	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	91.5	173.4	-111.5	142	0	0	0	110.2	I2719 I2721 F2749 T2753 L2756 M2780 F2809 L2810	I2719-L2751 HydrophobicContact CG2-CD2 3.81Å; I2721-L2751 HydrophobicContact CD1-CD2 4.24Å; I2721-L2751 HydrophobicContact CG1-CD1 4.21Å; I2721-L2751 HydrophobicContact CG1-CD2 3.97Å; F2749-L2751 HydrophobicContact CD2-CD1 4.26Å; F2749-L2751 PolarHBondContact O-N 3.19Å; L2751-T2753 HydrophobicContact CB-CG2 4.4Å; L2751-T2753 HydrophobicContact CD2-CG2 4.06Å; L2751-T2753 HydrophobicContact CG-CG2 4.23Å; L2751-T2753 PolarHBondContact O-N 3.22Å; L2751-L2756 HydrophobicContact CD2-CD1 4.29Å; L2751-M2780 HydrophobicContact CD1-CE 4Å; L2751-M2780 HydrophobicContact CD2-CE 4.22Å; L2751-F2809 PolarHBondContact N-O 2.73Å; L2751-L2810 HydrophobicContact CB-CD2 4.26Å; L2751-L2810 HydrophobicContact CD1-CD2 3.76Å
2752	N	39.8	Very low	35.7	Very low	69 Å²	69	61.2 Å²	61.2	37%	0.369	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	100.1	171.3	-81.4	-12.4	0	0	0	108.6	K2720 I2750 Q2844	K2720-N2752 HydrophobicContact CB-CB 3.94Å; K2720-N2752 PolarHBondContact N-O 3.3Å; K2720-N2752 PolarHBondContact O-N 3.16Å; I2750-N2752 WeakPolarHBondContact CG2-OD1 3.46Å; I2750-N2752 PolarHBondContact O-N 3.14Å; N2752-Q2844 WeakPolarHBondContact OD1-CG 3.48Å; N2752-Q2844 PolarHBondContact OD1-NE2 3.42Å
2753	T	39.6	Very low	36.2	Very low	16.6667 Å²	16.6667	57.1 Å²	57.1	10%	0.102	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.9	178.3	117.4	0	0	0	0	111.2	I2719 L2751 I2755 L2756	I2719-T2753 HydrophobicContact CB-CG2 4.42Å; I2719-T2753 HydrophobicContact CG1-CG2 4.4Å; I2719-T2753 HydrophobicContact CG2-CG2 4.2Å; L2751-T2753 HydrophobicContact CB-CG2 4.4Å; L2751-T2753 HydrophobicContact CD2-CG2 4.06Å; L2751-T2753 HydrophobicContact CG-CG2 4.23Å; L2751-T2753 PolarHBondContact O-N 3.22Å; T2753-I2755 PolarHBondContact O-N 3.12Å; T2753-I2755 WeakPolarHBondContact OG1-CB 3.26Å; T2753-I2755 PolarHBondContact OG1-N 2.92Å; T2753-L2756 HydrophobicContact CG2-CB 4.33Å; T2753-L2756 HydrophobicContact CG2-CD1 3.37Å; T2753-L2756 HydrophobicContact CG2-CG 3.6Å; T2753-L2756 PolarHBondContact OG1-N 3.26Å
2754	N	39.2	Very low	36.5	Very low	100 Å²	100	54 Å²	54	54%	0.535	28%	0.278	S	S	.	.	S	Bend	trans	-88	10.8	170.3	-31.1	-4.6	0	0	0	112.2	K2716 D2718 H2841	K2716-N2754 PolarHBondContact O-ND2 2.96Å; D2718-N2754 PolarHBondContact N-OD1 3.45Å; D2718-N2754 PolarHBondContact O-OD1 3.09Å; N2754-H2841 PolarHBondContact O-CE1 3.36Å; N2754-H2841 PolarHBondContact O-ND1 2.74Å
2755	I	37.6	Very low	36.6	Very low	69.6667 Å²	69.6667	53.3 Å²	53.3	36%	0.357	28%	0.277	S	S	.	.			trans	-98.3	-24.5	-167.3	-58.9	172.7	0	0	0	111.8	K2717 I2719 T2753 K2757	K2717-I2755 HydrophobicContact CB-CD1 3.77Å; K2717-I2755 HydrophobicContact CB-CG1 4.41Å; K2717-I2755 HydrophobicContact CD-CD1 4.31Å; K2717-I2755 HydrophobicContact CG-CD1 4.15Å; K2717-I2755 HydrophobicContact CG-CG1 4.45Å; I2719-I2755 HydrophobicContact CD1-CD1 4.03Å; I2719-I2755 HydrophobicContact CG1-CD1 3.51Å; I2719-I2755 VanDerWaalsContact CG1-CD1 3.45Å; I2719-I2755 HydrophobicContact CG1-CG1 4.47Å; T2753-I2755 PolarHBondContact O-N 3.12Å; T2753-I2755 WeakPolarHBondContact OG1-CB 3.26Å; T2753-I2755 PolarHBondContact OG1-N 2.92Å; I2755-K2757 PolarHBondContact O-N 3.18Å
2756	L	38.6	Very low	36.8	Very low	35.6667 Å²	35.6667	55 Å²	55	19%	0.187	28%	0.283	C	S	.	.			trans	-80.8	87.1	178.2	-65.9	167.2	0	0	0	110.9	L2751 T2753 Q2758 I2761 T2812 N2814 L2817	L2751-L2756 HydrophobicContact CD2-CD1 4.29Å; T2753-L2756 HydrophobicContact CG2-CB 4.33Å; T2753-L2756 HydrophobicContact CG2-CD1 3.37Å; T2753-L2756 HydrophobicContact CG2-CG 3.6Å; T2753-L2756 PolarHBondContact OG1-N 3.26Å; L2756-Q2758 PolarHBondContact O-N 2.9Å; L2756-I2761 HydrophobicContact CD1-CD1 4.1Å; L2756-I2761 HydrophobicContact CD2-CD1 4.14Å; L2756-I2761 HydrophobicContact CD2-CG1 4.05Å; L2756-T2812 HydrophobicContact CD1-CG2 3.67Å; L2756-N2814 PolarHBondContact N-ND2 2.86Å; L2756-N2814 VanDerWaalsContact O-CB 3.29Å; L2756-N2814 WeakPolarHBondContact O-CB 3.44Å; L2756-N2814 PolarHBondContact O-ND2 2.9Å; L2756-L2817 HydrophobicContact CD1-CD1 3.9Å
2757	K	35.4	Very low	36.7	Very low	171.667 Å²	171.667	56.1 Å²	56.1	75%	0.746	29%	0.292	S	S	*	.	S	Bend	trans	-80.1	10.5	177.4	-92.7	-170	174.4	-172.3	0	113.1	I2755 H2841	I2755-K2757 PolarHBondContact O-N 3.18Å; K2757-H2841 VanDerWaalsContact CE-CD2 3.46Å; K2757-H2841 WeakPolarHBondContact CE-CD2 3.48Å; K2757-H2841 WeakPolarHBondContact CE-NE2 3.38Å
2758	Q	34.7	Very low	36.7	Very low	157.667 Å²	157.667	56.1 Å²	56.1	74%	0.737	29%	0.291	S	S	*	.	S	Bend	trans	147.7	95.9	169.2	-90.6	168.8	-7.7	0	0	109.1	L2756 G2783	L2756-Q2758 PolarHBondContact O-N 2.9Å; Q2758-G2783 PolarHBondContact O-N 2.88Å
2759	G	34.1	Very low	36.7	Very low	21.3333 Å²	21.3333	65.4 Å²	65.4	22%	0.22	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	154.3	177.8	0	0	0	0	0	112.8	N2781 I2836	G2759-N2781 CarbonylContact C-O 3.22Å; G2759-N2781 VanDerWaalsContact CA-O 3.23Å; G2759-N2781 WeakPolarHBondContact CA-O 3.38Å; G2759-I2836 VanDerWaalsContact O-O 3.08Å
2760	S	36.5	Very low	36.6	Very low	31.3333 Å²	31.3333	65 Å²	65	22%	0.219	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.4	176.2	53.7	0	0	0	0	110	N2762 N2781 N2818	S2760-N2762 PolarHBondContact O-N 3.31Å; S2760-N2781 PolarHBondContact N-O 2.99Å; S2760-N2781 PolarHBondContact O-N 3.04Å; S2760-N2781 WeakPolarHBondContact OG-CB 3.23Å; S2760-N2781 PolarHBondContact OG-O 2.95Å; S2760-N2818 CarbonylContact C-O 3.58Å; S2760-N2818 VanDerWaalsContact CA-O 3.28Å; S2760-N2818 WeakPolarHBondContact CA-O 3.41Å
2761	I	38.8	Very low	36.3	Very low	14.3333 Å²	14.3333	68.8 Å²	68.8	7%	0.074	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	112.8	168	-55.7	175.4	0	0	0	107.2	L2756 I2763 V2778 M2780 L2817 N2818 L2819 T2820 F2847	L2756-I2761 HydrophobicContact CD1-CD1 4.1Å; L2756-I2761 HydrophobicContact CD2-CD1 4.14Å; L2756-I2761 HydrophobicContact CD2-CG1 4.05Å; I2761-I2763 HydrophobicContact CG2-CD1 4.41Å; I2761-I2763 HydrophobicContact CG2-CG1 3.95Å; I2761-V2778 HydrophobicContact CG2-CG1 4.09Å; I2761-M2780 HydrophobicContact CD1-CE 4.01Å; I2761-M2780 HydrophobicContact CG1-CE 4.24Å; I2761-M2780 HydrophobicContact CG2-CE 4.48Å; I2761-M2780 HydrophobicContact CG2-CG 4.45Å; I2761-L2817 HydrophobicContact CD1-CD1 3.8Å; I2761-L2817 HydrophobicContact CG1-CD1 4.45Å; I2761-N2818 PolarHBondContact N-O 3.09Å; I2761-L2819 HydrophobicContact CB-CD2 4.14Å; I2761-L2819 HydrophobicContact CG2-CD2 4.47Å; I2761-T2820 PolarHBondContact O-N 3.11Å; I2761-T2820 PolarHBondContact O-OG1 3.13Å; I2761-F2847 HydrophobicContact CB-CZ 4.24Å; I2761-F2847 HydrophobicContact CD1-CE2 3.96Å; I2761-F2847 HydrophobicContact CD1-CZ 3.84Å; I2761-F2847 HydrophobicContact CG2-CE2 4.5Å; I2761-F2847 HydrophobicContact CG2-CZ 4.03Å
2762	N	37.6	Very low	36	Very low	42.6667 Å²	42.6667	72 Å²	72	23%	0.228	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.5	169.4	-74.2	-24.9	0	0	0	108.2	S2760 T2779 N2781 T2820	S2760-N2762 PolarHBondContact O-N 3.31Å; N2762-T2779 WeakPolarHBondContact CA-O 3.42Å; N2762-T2779 WeakPolarHBondContact CB-O 3.4Å; N2762-T2779 VanDerWaalsContact CB-OG1 3.26Å; N2762-T2779 WeakPolarHBondContact CB-OG1 3.35Å; N2762-T2779 PolarHBondContact N-O 3.07Å; N2762-T2779 WeakPolarHBondContact O-CA 3.2Å; N2762-T2779 PolarHBondContact O-N 3.37Å; N2762-T2779 VanDerWaalsContact O-O 3.09Å; N2762-T2779 PolarHBondContact O-OG1 3.04Å; N2762-N2781 VanDerWaalsContact ND2-CG 3.28Å; N2762-N2781 PolarHBondContact ND2-OD1 3.41Å; N2762-T2820 WeakPolarHBondContact CA-O 3.47Å; N2762-T2820 WeakPolarHBondContact OD1-CB 3.32Å; N2762-T2820 PolarHBondContact OD1-O 3.2Å; N2762-T2820 PolarHBondContact OD1-OG1 3.2Å
2763	I	39.2	Very low	35.7	Very low	29 Å²	29	71.3 Å²	71.3	15%	0.149	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116	172.2	-56.3	-176.2	0	0	0	107.1	G2748 F2749 I2761 L2776 V2778 L2808 L2819 A2822 F2847	G2748-I2763 WeakPolarHBondContact CA-O 3.43Å; F2749-I2763 HydrophobicContact CD2-CB 4.5Å; F2749-I2763 HydrophobicContact CE1-CB 4.21Å; F2749-I2763 HydrophobicContact CE1-CG2 4.3Å; F2749-I2763 HydrophobicContact CE2-CB 3.81Å; F2749-I2763 HydrophobicContact CE2-CD1 3.74Å; F2749-I2763 HydrophobicContact CE2-CG1 3.84Å; F2749-I2763 HydrophobicContact CZ-CB 3.65Å; F2749-I2763 HydrophobicContact CZ-CD1 4.12Å; F2749-I2763 HydrophobicContact CZ-CG1 4.03Å; F2749-I2763 HydrophobicContact CZ-CG2 3.89Å; I2761-I2763 HydrophobicContact CG2-CD1 4.41Å; I2761-I2763 HydrophobicContact CG2-CG1 3.95Å; I2763-L2776 HydrophobicContact CG2-CD1 4.44Å; I2763-L2776 HydrophobicContact CG2-CD2 3.37Å; I2763-V2778 HydrophobicContact CD1-CG2 4.4Å; I2763-V2778 HydrophobicContact CG1-CG1 4.36Å; I2763-V2778 HydrophobicContact CG1-CG2 4.41Å; I2763-V2778 HydrophobicContact CG2-CG2 4.35Å; I2763-L2808 HydrophobicContact CD1-CD2 3.67Å; I2763-L2819 HydrophobicContact CD1-CD2 4.15Å; I2763-A2822 PolarHBondContact O-N 3.41Å; I2763-F2847 HydrophobicContact CD1-CB 4.18Å; I2763-F2847 HydrophobicContact CD1-CD1 3.41Å; I2763-F2847 VanDerWaalsContact CD1-CD1 3.41Å; I2763-F2847 HydrophobicContact CD1-CD2 4.39Å; I2763-F2847 HydrophobicContact CD1-CE1 3.71Å; I2763-F2847 HydrophobicContact CD1-CG 3.77Å; I2763-F2847 HydrophobicContact CD1-CZ 4.33Å
2764	L	35.6	Very low	35.5	Very low	64 Å²	64	73.1 Å²	73.1	34%	0.335	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.9	178.6	-73.1	164	0	0	0	108.4	I2777 T2779 A2822	L2764-I2777 CarbonylContact C-O 3.53Å; L2764-I2777 WeakPolarHBondContact CA-O 3.35Å; L2764-I2777 HydrophobicContact CB-CB 4.21Å; L2764-I2777 HydrophobicContact CB-CG2 4.42Å; L2764-I2777 PolarHBondContact N-O 3.07Å; L2764-I2777 CarbonylContact O-C 3.34Å; L2764-I2777 WeakPolarHBondContact O-CA 3.24Å; L2764-I2777 WeakPolarHBondContact O-CB 3.28Å; L2764-I2777 PolarHBondContact O-N 3.03Å; L2764-I2777 VanDerWaalsContact O-O 3.05Å; L2764-T2779 HydrophobicContact CD1-CG2 4.4Å; L2764-T2779 WeakPolarHBondContact CD1-OG1 3.45Å; L2764-A2822 HydrophobicContact CD2-CB 4.41Å
2765	S	35	Very low	35.4	Very low	30 Å²	30	71.1 Å²	71.1	21%	0.21	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	132	168.5	70.8	0	0	0	0	109.5	A2747 Y2823 L2830	A2747-S2765 PolarHBondContact O-N 2.97Å; A2747-S2765 VanDerWaalsContact O-N 3.17Å; A2747-S2765 PolarHBondContact O-OG 3.45Å; S2765-Y2823 PolarHBondContact N-O 2.94Å; S2765-Y2823 PolarHBondContact OG-O 2.62Å; S2765-L2830 WeakPolarHBondContact OG-CB 3.12Å; S2765-L2830 PolarHBondContact OG-O 3.28Å
2766	K	35.5	Very low	35.4	Very low	103.333 Å²	103.333	70.3 Å²	70.3	45%	0.449	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	106.6	172.2	-173.2	179.2	-178.2	-178.3	0	108.9	L2744 Y2746 S2768 Q2775 I2777	L2744-K2766 HydrophobicContact CD2-CG 4.49Å; Y2746-K2766 HydrophobicContact CE1-CB 4.22Å; Y2746-K2766 HydrophobicContact CE1-CD 4.48Å; Y2746-K2766 HydrophobicContact CE1-CG 4.15Å; K2766-S2768 PolarHBondContact O-N 3.07Å; K2766-Q2775 CarbonylContact C-O 3.56Å; K2766-Q2775 HydrophobicContact CB-CB 4.33Å; K2766-Q2775 PolarHBondContact N-O 3.02Å; K2766-Q2775 CarbonylContact O-C 3.23Å; K2766-Q2775 WeakPolarHBondContact O-CA 3.28Å; K2766-Q2775 WeakPolarHBondContact O-CB 3.34Å; K2766-Q2775 PolarHBondContact O-N 2.95Å; K2766-Q2775 VanDerWaalsContact O-O 3.07Å; K2766-I2777 HydrophobicContact CB-CD1 4.05Å; K2766-I2777 HydrophobicContact CD-CD1 4.34Å
2767	I	34	Very low	35.4	Very low	81 Å²	81	70 Å²	70	42%	0.415	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	126.3	168.8	-61.5	167.1	0	0	0	107.1	Q2745 T2774 Q2826	Q2745-I2767 HydrophobicContact CB-CD1 4.47Å; I2767-T2774 HydrophobicContact CG1-CG2 4.26Å; I2767-Q2826 HydrophobicContact CD1-CB 3.54Å; I2767-Q2826 HydrophobicContact CD1-CG 4.49Å
2768	S	33	Very low	35.7	Very low	26 Å²	26	62.6 Å²	62.6	18%	0.182	34%	0.335	C	S	.	.			trans	-83.7	169.8	179.5	77	0	0	0	0	110.7	K2766 S2770 N2773	K2766-S2768 PolarHBondContact O-N 3.07Å; S2768-S2770 PolarHBondContact O-N 2.9Å; S2768-S2770 VanDerWaalsContact O-N 3.12Å; S2768-S2770 PolarHBondContact OG-O 3.01Å; S2768-S2770 PolarHBondContact OG-OG 3.06Å; S2768-N2773 WeakPolarHBondContact CB-O 3.49Å; S2768-N2773 PolarHBondContact N-O 3.32Å; S2768-N2773 VanDerWaalsContact OG-CB 3.3Å; S2768-N2773 WeakPolarHBondContact OG-CB 3.34Å; S2768-N2773 PolarHBondContact OG-O 3.4Å
2769	K	32.6	Very low	35.9	Very low	200.333 Å²	200.333	55.7 Å²	55.7	87%	0.871	30%	0.304	S	S	*	.	S	Bend	trans	-63.2	-13.3	-173.1	-78.3	-173.2	176.3	-179.4	0	115.1	E2742	E2742-K2769 WeakPolarHBondContact OE1-CE 3.35Å; E2742-K2769 IonicContact OE1-NZ 3.43Å; E2742-K2769 PolarHBondContact OE1-NZ 3.14Å
2770	S	35.5	Very low	36.1	Very low	42 Å²	42	56.9 Å²	56.9	29%	0.294	30%	0.304	S	S	.	.	S	Bend	trans	-99.3	134.8	171.7	57.5	0	0	0	0	110.4	S2768 D2772 N2773	S2768-S2770 PolarHBondContact O-N 2.9Å; S2768-S2770 VanDerWaalsContact O-N 3.12Å; S2768-S2770 PolarHBondContact OG-O 3.01Å; S2768-S2770 PolarHBondContact OG-OG 3.06Å; S2770-D2772 WeakPolarHBondContact CB-OD2 3.42Å; S2770-D2772 PolarHBondContact O-N 3.01Å; S2770-N2773 PolarHBondContact O-N 3.14Å; S2770-N2773 VanDerWaalsContact O-N 3.14Å; S2770-N2773 PolarHBondContact OG-ND2 2.79Å
2771	P	32.5	Very low	36.4	Very low	113.333 Å²	113.333	57.8 Å²	57.8	74%	0.736	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.8	175.4	25.4	-33.3	0	0	0	112.7	N2773 H2798	P2771-N2773 VanDerWaalsContact C-N 3.29Å; P2771-N2773 PolarHBondContact O-N 2.98Å; P2771-H2798 PolarHBondContact O-CD2 2.85Å; P2771-H2798 VanDerWaalsContact O-CD2 3.25Å
2772	D	32.1	Very low	36.4	Very low	92 Å²	92	61.5 Å²	61.5	49%	0.492	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.9	-177.1	-33.3	-85.8	0	0	0	114.5	S2770 P2797 H2798	S2770-D2772 WeakPolarHBondContact CB-OD2 3.42Å; S2770-D2772 PolarHBondContact O-N 3.01Å; D2772-P2797 WeakPolarHBondContact O-CA 3.41Å; D2772-H2798 PolarHBondContact O-N 2.77Å; D2772-H2798 VanDerWaalsContact O-N 3.08Å
2773	N	33.1	Very low	36.2	Very low	54.6667 Å²	54.6667	61.7 Å²	61.7	29%	0.292	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	107.4	-172.5	-92	-88.9	0	0	0	114.4	S2768 S2770 P2771 T2795 W2796	S2768-N2773 WeakPolarHBondContact CB-O 3.49Å; S2768-N2773 PolarHBondContact N-O 3.32Å; S2768-N2773 VanDerWaalsContact OG-CB 3.3Å; S2768-N2773 WeakPolarHBondContact OG-CB 3.34Å; S2768-N2773 PolarHBondContact OG-O 3.4Å; S2770-N2773 PolarHBondContact O-N 3.14Å; S2770-N2773 VanDerWaalsContact O-N 3.14Å; S2770-N2773 PolarHBondContact OG-ND2 2.79Å; P2771-N2773 VanDerWaalsContact C-N 3.29Å; P2771-N2773 PolarHBondContact O-N 2.98Å; N2773-T2795 WeakPolarHBondContact OD1-CB 3.08Å; N2773-W2796 WeakPolarHBondContact CA-O 3.04Å; N2773-W2796 PolarHBondContact ND2-O 2.98Å; N2773-W2796 VanDerWaalsContact ND2-O 3.16Å; N2773-W2796 PolarHBondContact OD1-O 2.98Å
2774	T	35.3	Very low	35.7	Very low	54.6667 Å²	54.6667	69.2 Å²	69.2	34%	0.335	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.2	169.7	-5.8	0	0	0	0	110.5	I2767 W2796	I2767-T2774 HydrophobicContact CG1-CG2 4.26Å; T2774-W2796 PolarHBondContact N-O 2.75Å; T2774-W2796 VanDerWaalsContact N-O 3.17Å; T2774-W2796 PolarHBondContact O-N 3.03Å; T2774-W2796 PolarHBondContact OG1-O 3.04Å
2775	Q	37.2	Very low	35.4	Very low	58.6667 Å²	58.6667	76.3 Å²	76.3	27%	0.274	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.6	174.3	-53	-174.6	-25.8	0	0	110	K2766 V2794 T2795	K2766-Q2775 CarbonylContact C-O 3.56Å; K2766-Q2775 HydrophobicContact CB-CB 4.33Å; K2766-Q2775 PolarHBondContact N-O 3.02Å; K2766-Q2775 CarbonylContact O-C 3.23Å; K2766-Q2775 WeakPolarHBondContact O-CA 3.28Å; K2766-Q2775 WeakPolarHBondContact O-CB 3.34Å; K2766-Q2775 PolarHBondContact O-N 2.95Å; K2766-Q2775 VanDerWaalsContact O-O 3.07Å; Q2775-V2794 CarbonylContact C-O 3.59Å; Q2775-V2794 VanDerWaalsContact CA-O 3.31Å; Q2775-V2794 WeakPolarHBondContact CA-O 2.91Å; Q2775-T2795 HydrophobicContact CB-CG2 4.22Å; Q2775-T2795 HydrophobicContact CG-CG2 4.05Å
2776	L	37.8	Very low	35.2	Very low	52.6667 Å²	52.6667	78 Å²	78	28%	0.276	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110.4	175.8	-158.6	138.7	0	0	0	108.4	I2763 V2778 V2794	I2763-L2776 HydrophobicContact CG2-CD1 4.44Å; I2763-L2776 HydrophobicContact CG2-CD2 3.37Å; L2776-V2778 HydrophobicContact CD2-CG2 3.78Å; L2776-V2794 WeakPolarHBondContact CA-O 3.46Å; L2776-V2794 HydrophobicContact CB-CB 4.39Å; L2776-V2794 WeakPolarHBondContact CB-O 3.28Å; L2776-V2794 HydrophobicContact CD2-CB 4.43Å; L2776-V2794 PolarHBondContact N-O 3.08Å; L2776-V2794 WeakPolarHBondContact O-CB 3.38Å; L2776-V2794 PolarHBondContact O-N 2.93Å
2777	I	39	Very low	34.9	Very low	29.3333 Å²	29.3333	78.7 Å²	78.7	15%	0.15	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.7	-177.8	-55	174.3	0	0	0	107.8	L2764 K2766 T2779 I2793	L2764-I2777 CarbonylContact C-O 3.53Å; L2764-I2777 WeakPolarHBondContact CA-O 3.35Å; L2764-I2777 HydrophobicContact CB-CB 4.21Å; L2764-I2777 HydrophobicContact CB-CG2 4.42Å; L2764-I2777 PolarHBondContact N-O 3.07Å; L2764-I2777 CarbonylContact O-C 3.34Å; L2764-I2777 WeakPolarHBondContact O-CA 3.24Å; L2764-I2777 WeakPolarHBondContact O-CB 3.28Å; L2764-I2777 PolarHBondContact O-N 3.03Å; L2764-I2777 VanDerWaalsContact O-O 3.05Å; K2766-I2777 HydrophobicContact CB-CD1 4.05Å; K2766-I2777 HydrophobicContact CD-CD1 4.34Å; I2777-T2779 HydrophobicContact CG2-CG2 4.38Å; I2777-I2793 HydrophobicContact CG1-CG1 4.42Å; I2777-I2793 HydrophobicContact CG1-CG2 4.47Å; I2777-I2793 HydrophobicContact CG2-CG1 4.34Å
2778	V	41	Very low	34.8	Very low	15.3333 Å²	15.3333	77.2 Å²	77.2	9%	0.093	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	110.5	173.3	-177	0	0	0	0	108.2	I2761 I2763 L2776 M2780 F2792	I2761-V2778 HydrophobicContact CG2-CG1 4.09Å; I2763-V2778 HydrophobicContact CD1-CG2 4.4Å; I2763-V2778 HydrophobicContact CG1-CG1 4.36Å; I2763-V2778 HydrophobicContact CG1-CG2 4.41Å; I2763-V2778 HydrophobicContact CG2-CG2 4.35Å; L2776-V2778 HydrophobicContact CD2-CG2 3.78Å; V2778-M2780 HydrophobicContact CG1-CE 4.2Å; V2778-M2780 HydrophobicContact CG1-CG 4.39Å; V2778-F2792 HydrophobicContact CB-CB 4.32Å; V2778-F2792 HydrophobicContact CB-CD1 4.45Å; V2778-F2792 PolarHBondContact N-O 3.05Å; V2778-F2792 WeakPolarHBondContact O-CA 3.35Å; V2778-F2792 WeakPolarHBondContact O-CB 3.46Å; V2778-F2792 PolarHBondContact O-N 3.39Å
2779	T	38.7	Very low	35	Very low	14.3333 Å²	14.3333	81 Å²	81	9%	0.088	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.1	173.6	31.1	0	0	0	0	109.6	N2762 L2764 I2777 N2781 Q2791	N2762-T2779 WeakPolarHBondContact CA-O 3.42Å; N2762-T2779 WeakPolarHBondContact CB-O 3.4Å; N2762-T2779 VanDerWaalsContact CB-OG1 3.26Å; N2762-T2779 WeakPolarHBondContact CB-OG1 3.35Å; N2762-T2779 PolarHBondContact N-O 3.07Å; N2762-T2779 WeakPolarHBondContact O-CA 3.2Å; N2762-T2779 PolarHBondContact O-N 3.37Å; N2762-T2779 VanDerWaalsContact O-O 3.09Å; N2762-T2779 PolarHBondContact O-OG1 3.04Å; L2764-T2779 HydrophobicContact CD1-CG2 4.4Å; L2764-T2779 WeakPolarHBondContact CD1-OG1 3.45Å; I2777-T2779 HydrophobicContact CG2-CG2 4.38Å; T2779-N2781 PolarHBondContact O-N 2.9Å; T2779-Q2791 HydrophobicContact CG2-CB 4.42Å; T2779-Q2791 HydrophobicContact CG2-CG 3.99Å
2780	M	38.4	Very low	35.3	Very low	45 Å²	45	77.1 Å²	77.1	22%	0.222	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	103.9	174.9	-69.9	-172.3	173.5	0	0	109.7	L2751 I2761 V2778 H2782 H2790	L2751-M2780 HydrophobicContact CD1-CE 4Å; L2751-M2780 HydrophobicContact CD2-CE 4.22Å; I2761-M2780 HydrophobicContact CD1-CE 4.01Å; I2761-M2780 HydrophobicContact CG1-CE 4.24Å; I2761-M2780 HydrophobicContact CG2-CE 4.48Å; I2761-M2780 HydrophobicContact CG2-CG 4.45Å; V2778-M2780 HydrophobicContact CG1-CE 4.2Å; V2778-M2780 HydrophobicContact CG1-CG 4.39Å; M2780-H2782 PolarHBondContact O-N 3.35Å; M2780-H2790 PolarHBondContact N-O 2.98Å; M2780-H2790 VanDerWaalsContact N-O 3.15Å
2781	N	41.9	Very low	35.3	Very low	50.6667 Å²	50.6667	81 Å²	81	27%	0.271	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	108.1	177.1	-78.3	41.3	0	0	0	109.6	G2759 S2760 N2762 T2779 D2789	G2759-N2781 CarbonylContact C-O 3.22Å; G2759-N2781 VanDerWaalsContact CA-O 3.23Å; G2759-N2781 WeakPolarHBondContact CA-O 3.38Å; S2760-N2781 PolarHBondContact N-O 2.99Å; S2760-N2781 PolarHBondContact O-N 3.04Å; S2760-N2781 WeakPolarHBondContact OG-CB 3.23Å; S2760-N2781 PolarHBondContact OG-O 2.95Å; N2762-N2781 VanDerWaalsContact ND2-CG 3.28Å; N2762-N2781 PolarHBondContact ND2-OD1 3.41Å; T2779-N2781 PolarHBondContact O-N 2.9Å; N2781-D2789 PolarHBondContact ND2-OD1 3.1Å; N2781-D2789 PolarHBondContact OD1-OD1 3.1Å
2782	H	39.2	Very low	35.5	Very low	92.3333 Å²	92.3333	78.8 Å²	78.8	43%	0.427	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.2	167.2	-69.2	-64.3	0	0	0	109.3	M2780 S2786	M2780-H2782 PolarHBondContact O-N 3.35Å; H2782-S2786 VanDerWaalsContact CB-OG 3.32Å; H2782-S2786 WeakPolarHBondContact CB-OG 3.19Å
2783	G	32.9	Very low	35.7	Very low	46.3333 Å²	46.3333	78.1 Å²	78.1	48%	0.478	43%	0.425	S	S	.	.	S	Bend	trans	-60	140.5	-175.8	0	0	0	0	0	113.4	Q2758	Q2758-G2783 PolarHBondContact O-N 2.88Å
2784	H	28.6	Very low	35.8	Very low	186.333 Å²	186.333	76.6 Å²	76.6	86%	0.863	42%	0.418	S	S	*	.	S	Bend	trans	34.6	114.3	172.8	-68.8	-73.7	0	0	0	118.2
2785	K	30.9	Very low	35.6	Very low	215 Å²	215	76.9 Å²	76.9	94%	0.935	42%	0.42	S	S	*	.	S	Bend	trans	97.2	4.3	161.1	-59.7	-177.1	176.3	-178	0	119.8
2786	S	29.8	Very low	35.5	Very low	65.6667 Å²	65.6667	78.7 Å²	78.7	46%	0.459	42%	0.424	S	S	.	.			trans	-99.8	116.6	170.9	56.4	0	0	0	0	112.7	H2782 A2788	H2782-S2786 VanDerWaalsContact CB-OG 3.32Å; H2782-S2786 WeakPolarHBondContact CB-OG 3.19Å; S2786-A2788 PolarHBondContact O-N 3.24Å; S2786-A2788 VanDerWaalsContact O-N 3.12Å
2787	A	29.5	Very low	35.1	Very low	117 Å²	117	80.1 Å²	80.1	97%	0.967	44%	0.436	S	S	*	.			trans	-76.8	37.7	178	0	0	0	0	0	113.8
2788	A	32.3	Very low	34.8	Very low	49.3333 Å²	49.3333	85.1 Å²	85.1	41%	0.408	46%	0.459	S	S	.	.			trans	-142.7	81.5	-175.6	0	0	0	0	0	110.5	S2786 H2790	S2786-A2788 PolarHBondContact O-N 3.24Å; S2786-A2788 VanDerWaalsContact O-N 3.12Å; A2788-H2790 PolarHBondContact O-N 3.18Å; A2788-H2790 VanDerWaalsContact O-N 3.08Å; A2788-H2790 PolarHBondContact O-ND1 2.75Å
2789	D	36.2	Very low	34.2	Very low	107 Å²	107	89.1 Å²	89.1	57%	0.572	48%	0.483	S	S	*	.			trans	-62.3	110.1	167.6	-72.5	-30.4	0	0	0	108.8	N2781 Q2791	N2781-D2789 PolarHBondContact ND2-OD1 3.1Å; N2781-D2789 PolarHBondContact OD1-OD1 3.1Å; D2789-Q2791 PolarHBondContact O-N 3.18Å; D2789-Q2791 VanDerWaalsContact O-N 3.16Å
2790	H	38.5	Very low	33.8	Very low	116.667 Å²	116.667	94.3 Å²	94.3	54%	0.54	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	102.3	174.5	-70.3	-11.2	0	0	0	109	K2717 M2780 A2788	K2717-H2790 PolarHBondContact NZ-NE2 3.02Å; M2780-H2790 PolarHBondContact N-O 2.98Å; M2780-H2790 VanDerWaalsContact N-O 3.15Å; A2788-H2790 PolarHBondContact O-N 3.18Å; A2788-H2790 VanDerWaalsContact O-N 3.08Å; A2788-H2790 PolarHBondContact O-ND1 2.75Å
2791	Q	36.6	Very low	33.2	Very low	124 Å²	124	101.3 Å²	101.3	58%	0.579	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.1	174.9	-61.2	-175.8	-0.2	0	0	110	T2779 D2789	T2779-Q2791 HydrophobicContact CG2-CB 4.42Å; T2779-Q2791 HydrophobicContact CG2-CG 3.99Å; D2789-Q2791 PolarHBondContact O-N 3.18Å; D2789-Q2791 VanDerWaalsContact O-N 3.16Å
2792	F	37.5	Very low	32.6	Very low	68.6667 Å²	68.6667	103.9 Å²	103.9	30%	0.301	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.4	170.5	-163.5	-102.2	0	0	0	109	I2721 V2778 V2794	I2721-F2792 HydrophobicContact CD1-CD2 4.46Å; I2721-F2792 HydrophobicContact CD1-CE1 4Å; I2721-F2792 HydrophobicContact CD1-CE2 3.73Å; I2721-F2792 HydrophobicContact CD1-CZ 3.47Å; V2778-F2792 HydrophobicContact CB-CB 4.32Å; V2778-F2792 HydrophobicContact CB-CD1 4.45Å; V2778-F2792 PolarHBondContact N-O 3.05Å; V2778-F2792 WeakPolarHBondContact O-CA 3.35Å; V2778-F2792 WeakPolarHBondContact O-CB 3.46Å; V2778-F2792 PolarHBondContact O-N 3.39Å; F2792-V2794 HydrophobicContact CD1-CG2 3.72Å; F2792-V2794 HydrophobicContact CE1-CG2 3.47Å; F2792-V2794 HydrophobicContact CZ-CG2 4.2Å
2793	I	34.9	Very low	32.1	Very low	76.3333 Å²	76.3333	108.3 Å²	108.3	39%	0.391	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101	123.2	-178	-57	174.2	0	0	0	108.5	I2777 T2795	I2777-I2793 HydrophobicContact CG1-CG1 4.42Å; I2777-I2793 HydrophobicContact CG1-CG2 4.47Å; I2777-I2793 HydrophobicContact CG2-CG1 4.34Å; I2793-T2795 HydrophobicContact CG2-CG2 4.27Å
2794	V	35.2	Very low	32	Very low	23.3333 Å²	23.3333	107.8 Å²	107.8	14%	0.141	55%	0.55	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-117	115.7	173.7	-176	0	0	0	0	109.2	F2749 Q2775 L2776 F2792	F2749-V2794 HydrophobicContact CE1-CG1 4.41Å; F2749-V2794 HydrophobicContact CE2-CG1 3.76Å; F2749-V2794 HydrophobicContact CZ-CG1 3.47Å; F2749-V2794 VanDerWaalsContact CZ-CG1 3.47Å; Q2775-V2794 CarbonylContact C-O 3.59Å; Q2775-V2794 VanDerWaalsContact CA-O 3.31Å; Q2775-V2794 WeakPolarHBondContact CA-O 2.91Å; L2776-V2794 WeakPolarHBondContact CA-O 3.46Å; L2776-V2794 HydrophobicContact CB-CB 4.39Å; L2776-V2794 WeakPolarHBondContact CB-O 3.28Å; L2776-V2794 HydrophobicContact CD2-CB 4.43Å; L2776-V2794 PolarHBondContact N-O 3.08Å; L2776-V2794 WeakPolarHBondContact O-CB 3.38Å; L2776-V2794 PolarHBondContact O-N 2.93Å; F2792-V2794 HydrophobicContact CD1-CG2 3.72Å; F2792-V2794 HydrophobicContact CE1-CG2 3.47Å; F2792-V2794 HydrophobicContact CZ-CG2 4.2Å
2795	T	31.5	Very low	32.1	Very low	61.3333 Å²	61.3333	103.9 Å²	103.9	38%	0.376	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.5	173	51.3	0	0	0	0	110.4	N2773 Q2775 I2793	N2773-T2795 WeakPolarHBondContact OD1-CB 3.08Å; Q2775-T2795 HydrophobicContact CB-CG2 4.22Å; Q2775-T2795 HydrophobicContact CG-CG2 4.05Å; I2793-T2795 HydrophobicContact CG2-CG2 4.27Å
2796	W	35.8	Very low	32.1	Very low	96 Å²	96	95.4 Å²	95.4	36%	0.364	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.2	171	-78.4	52.2	0	0	0	110.1	A2747 F2749 N2773 T2774 H2798 F2800 P2806	A2747-W2796 HydrophobicContact CB-CH2 3.78Å; A2747-W2796 HydrophobicContact CB-CZ2 4.03Å; A2747-W2796 HydrophobicContact CB-CZ3 3.64Å; F2749-W2796 HydrophobicContact CE2-CH2 4.37Å; F2749-W2796 AromaticContact CE2-CZ2 3.65Å; F2749-W2796 HydrophobicContact CE2-CZ2 3.65Å; F2749-W2796 HydrophobicContact CZ-CZ2 4.27Å; N2773-W2796 WeakPolarHBondContact CA-O 3.04Å; N2773-W2796 PolarHBondContact ND2-O 2.98Å; N2773-W2796 VanDerWaalsContact ND2-O 3.16Å; N2773-W2796 PolarHBondContact OD1-O 2.98Å; T2774-W2796 PolarHBondContact N-O 2.75Å; T2774-W2796 VanDerWaalsContact N-O 3.17Å; T2774-W2796 PolarHBondContact O-N 3.03Å; T2774-W2796 PolarHBondContact OG1-O 3.04Å; W2796-H2798 VanDerWaalsContact C-N 3.32Å; W2796-H2798 PolarHBondContact O-N 3.2Å; W2796-F2800 AromaticContact CE3-CE2 4Å; W2796-F2800 HydrophobicContact CE3-CE2 4Å; W2796-F2800 HydrophobicContact CE3-CZ 4.3Å; W2796-F2800 AromaticContact CZ3-CE2 3.78Å; W2796-F2800 HydrophobicContact CZ3-CE2 3.78Å; W2796-F2800 AromaticContact CZ3-CZ 3.82Å; W2796-F2800 HydrophobicContact CZ3-CZ 3.82Å; W2796-P2806 HydrophobicContact CH2-CB 4.22Å; W2796-P2806 HydrophobicContact CZ2-CB 4.16Å
2797	P	29.1	Very low	32.2	Very low	81.3333 Å²	81.3333	93.9 Å²	93.9	53%	0.528	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	106.9	172.4	33.7	-32.2	0	0	0	112.2	D2772 V2799	D2772-P2797 WeakPolarHBondContact O-CA 3.41Å; P2797-V2799 VanDerWaalsContact C-N 3.32Å; P2797-V2799 PolarHBondContact O-N 3.22Å
2798	H	31.6	Very low	32.5	Very low	135 Å²	135	89.4 Å²	89.4	63%	0.625	44%	0.441	S	S	*	.			trans	-126.2	120.1	174.7	-111.4	-73.5	0	0	0	109.4	P2771 D2772 W2796	P2771-H2798 PolarHBondContact O-CD2 2.85Å; P2771-H2798 VanDerWaalsContact O-CD2 3.25Å; D2772-H2798 PolarHBondContact O-N 2.77Å; D2772-H2798 VanDerWaalsContact O-N 3.08Å; W2796-H2798 VanDerWaalsContact C-N 3.32Å; W2796-H2798 PolarHBondContact O-N 3.2Å
2799	V	29.2	Very low	32.5	Very low	99 Å²	99	89.6 Å²	89.6	60%	0.6	43%	0.433	S	S	*	.			trans	-112.2	111.6	134.5	-175.4	0	0	0	0	109.8	P2797 E2801	P2797-V2799 VanDerWaalsContact C-N 3.32Å; P2797-V2799 PolarHBondContact O-N 3.22Å; V2799-E2801 HydrophobicContact CG1-CG 4.16Å; V2799-E2801 PolarHBondContact O-N 3.48Å
2800	F	29.6	Very low	32.5	Very low	124 Å²	124	85.2 Å²	85.2	54%	0.544	41%	0.41	S	S	.	.			trans	-102.3	110.8	158.4	-79.2	-79.2	0	0	0	107.7	A2747 W2796 E2802 H2804	A2747-F2800 HydrophobicContact CB-CZ 4.25Å; W2796-F2800 AromaticContact CE3-CE2 4Å; W2796-F2800 HydrophobicContact CE3-CE2 4Å; W2796-F2800 HydrophobicContact CE3-CZ 4.3Å; W2796-F2800 AromaticContact CZ3-CE2 3.78Å; W2796-F2800 HydrophobicContact CZ3-CE2 3.78Å; W2796-F2800 AromaticContact CZ3-CZ 3.82Å; W2796-F2800 HydrophobicContact CZ3-CZ 3.82Å; F2800-E2802 PolarHBondContact O-N 2.86Å; F2800-H2804 HydrophobicContact CB-CB 4.21Å; F2800-H2804 HydrophobicContact CD1-CB 3.64Å; F2800-H2804 AromaticContact CD1-CD2 3.74Å; F2800-H2804 HydrophobicContact CE1-CB 4.03Å; F2800-H2804 HydrophobicContact CG-CB 3.92Å
2801	E	27.5	Very low	32.3	Very low	193 Å²	193	83.3 Å²	83.3	90%	0.902	40%	0.4	S	S	*	.			trans	-73	-7.2	179.9	-70.5	-174.4	135.7	0	0	113.5	V2799	V2799-E2801 HydrophobicContact CG1-CG 4.16Å; V2799-E2801 PolarHBondContact O-N 3.48Å
2802	E	27.7	Very low	32.3	Very low	105 Å²	105	78.2 Å²	78.2	49%	0.491	38%	0.377	S	S	.	.	S	Bend	trans	-127.5	160.6	175.7	-74	-179.5	-171.7	0	0	111.3	R2743 F2800 H2804	R2743-E2802 WeakPolarHBondContact CB-OE2 3.42Å; F2800-E2802 PolarHBondContact O-N 2.86Å; E2802-H2804 VanDerWaalsContact C-N 3.29Å; E2802-H2804 VanDerWaalsContact CB-CE1 3.49Å; E2802-H2804 WeakPolarHBondContact CB-CE1 3.43Å; E2802-H2804 VanDerWaalsContact CB-NE2 3.33Å; E2802-H2804 WeakPolarHBondContact CB-NE2 3.4Å; E2802-H2804 PolarHBondContact O-CD2 3.19Å; E2802-H2804 VanDerWaalsContact O-CD2 3.26Å; E2802-H2804 PolarHBondContact O-N 3.27Å; E2802-H2804 IonicContact OE2-CE1 3.23Å; E2802-H2804 IonicContact OE2-NE2 3.53Å; E2802-H2804 PolarHBondContact OE2-NE2 3.08Å; E2802-H2804 VanDerWaalsContact OE2-NE2 3.16Å
2803	K	28.6	Very low	32.1	Very low	185 Å²	185	80.1 Å²	80.1	80%	0.804	39%	0.39	S	S	*	.			trans	-71.4	66	-168.8	-60.5	175.3	-175.4	171.6	0	112.9	Y2805	K2803-Y2805 HydrophobicContact CB-CE2 4.46Å; K2803-Y2805 VanDerWaalsContact O-CD2 3.25Å; K2803-Y2805 WeakPolarHBondContact O-CD2 3.16Å; K2803-Y2805 WeakPolarHBondContact O-CE2 3.49Å
2804	H	31	Very low	32	Very low	35 Å²	35	77.8 Å²	77.8	16%	0.162	38%	0.379	C	S	.	.			trans	-96.6	129.4	-179.6	-62	-42.8	0	0	0	110.6	R2743 Q2745 F2800 E2802 P2806	R2743-H2804 VanDerWaalsContact C-CE1 3.46Å; R2743-H2804 PolarHBondContact O-CE1 3.27Å; R2743-H2804 PolarHBondContact O-ND1 2.77Å; R2743-H2804 PolarHBondContact O-NE2 3.28Å; Q2745-H2804 HydrophobicContact CB-CB 4.28Å; Q2745-H2804 PolarHBondContact N-ND1 2.96Å; F2800-H2804 HydrophobicContact CB-CB 4.21Å; F2800-H2804 HydrophobicContact CD1-CB 3.64Å; F2800-H2804 AromaticContact CD1-CD2 3.74Å; F2800-H2804 HydrophobicContact CE1-CB 4.03Å; F2800-H2804 HydrophobicContact CG-CB 3.92Å; E2802-H2804 VanDerWaalsContact C-N 3.29Å; E2802-H2804 VanDerWaalsContact CB-CE1 3.49Å; E2802-H2804 WeakPolarHBondContact CB-CE1 3.43Å; E2802-H2804 VanDerWaalsContact CB-NE2 3.33Å; E2802-H2804 WeakPolarHBondContact CB-NE2 3.4Å; E2802-H2804 PolarHBondContact O-CD2 3.19Å; E2802-H2804 VanDerWaalsContact O-CD2 3.26Å; E2802-H2804 PolarHBondContact O-N 3.27Å; E2802-H2804 IonicContact OE2-CE1 3.23Å; E2802-H2804 IonicContact OE2-NE2 3.53Å; E2802-H2804 PolarHBondContact OE2-NE2 3.08Å; E2802-H2804 VanDerWaalsContact OE2-NE2 3.16Å; H2804-P2806 VanDerWaalsContact O-CD 3.22Å; H2804-P2806 WeakPolarHBondContact O-CD 3.5Å
2805	Y	30.9	Very low	31.9	Very low	104 Å²	104	83.4 Å²	83.4	41%	0.408	40%	0.401	S	S	.	.			trans	-107.9	131.1	-177.1	-56.6	-98.8	0	0	0	108.5	K2803 L2807 N2831 K2851	K2803-Y2805 HydrophobicContact CB-CE2 4.46Å; K2803-Y2805 VanDerWaalsContact O-CD2 3.25Å; K2803-Y2805 WeakPolarHBondContact O-CD2 3.16Å; K2803-Y2805 WeakPolarHBondContact O-CE2 3.49Å; Y2805-L2807 PolarHBondContact O-N 3.1Å; Y2805-L2807 VanDerWaalsContact O-N 3.1Å; Y2805-N2831 HydrophobicContact CD1-CB 3.51Å; Y2805-N2831 VanDerWaalsContact CD1-O 3.24Å; Y2805-N2831 WeakPolarHBondContact CD1-O 3.27Å; Y2805-N2831 HydrophobicContact CE1-CB 3.5Å; Y2805-K2851 HydrophobicContact CD1-CG 4.49Å; Y2805-K2851 HydrophobicContact CD2-CG 4.42Å; Y2805-K2851 HydrophobicContact CG-CG 4.27Å
2806	P	31.1	Very low	31.9	Very low	37 Å²	37	82.6 Å²	82.6	24%	0.24	40%	0.396	C	S	.	.			trans	-66.6	138.2	173.8	1.7	2.6	0	0	0	111.3	W2796 H2804 L2830 T2832 W2849 K2850	W2796-P2806 HydrophobicContact CH2-CB 4.22Å; W2796-P2806 HydrophobicContact CZ2-CB 4.16Å; H2804-P2806 VanDerWaalsContact O-CD 3.22Å; H2804-P2806 WeakPolarHBondContact O-CD 3.5Å; P2806-L2830 HydrophobicContact CG-CD2 3.92Å; P2806-T2832 HydrophobicContact CG-CG2 3.76Å; P2806-W2849 CarbonylContact C-O 3.48Å; P2806-W2849 WeakPolarHBondContact CB-O 3.35Å; P2806-W2849 VanDerWaalsContact O-O 3.14Å; P2806-K2850 WeakPolarHBondContact O-CA 3.39Å
2807	L	32.9	Very low	31.9	Very low	33.5 Å²	33.5	78.8 Å²	78.8	18%	0.175	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.5	-178.2	-119.1	170.5	0	0	0	110.9	Y2746 A2747 G2748 Y2805 F2809 S2833 Y2848 W2849 K2850	Y2746-L2807 HydrophobicContact CD1-CB 4.17Å; Y2746-L2807 HydrophobicContact CD1-CD1 3.62Å; Y2746-L2807 HydrophobicContact CE1-CB 3.66Å; Y2746-L2807 HydrophobicContact CE1-CD1 4.31Å; Y2746-L2807 HydrophobicContact CG-CD1 4.1Å; A2747-L2807 PolarHBondContact O-N 3.15Å; A2747-L2807 VanDerWaalsContact O-N 3.12Å; G2748-L2807 WeakPolarHBondContact CA-O 3.41Å; Y2805-L2807 PolarHBondContact O-N 3.1Å; Y2805-L2807 VanDerWaalsContact O-N 3.1Å; L2807-F2809 HydrophobicContact CB-CD2 4.04Å; L2807-F2809 HydrophobicContact CB-CE2 4.01Å; L2807-F2809 HydrophobicContact CB-CZ 4.31Å; L2807-F2809 HydrophobicContact CD1-CE2 4.16Å; L2807-F2809 HydrophobicContact CD1-CZ 4.11Å; L2807-F2809 HydrophobicContact CD2-CD2 4.39Å; L2807-F2809 HydrophobicContact CD2-CE2 4.14Å; L2807-F2809 HydrophobicContact CD2-CZ 4.37Å; L2807-F2809 HydrophobicContact CG-CE2 4.33Å; L2807-F2809 PolarHBondContact O-N 2.74Å; L2807-S2833 WeakPolarHBondContact CD2-OG 3.41Å; L2807-S2833 WeakPolarHBondContact CG-OG 3.43Å; L2807-Y2848 WeakPolarHBondContact O-CB 2.98Å; L2807-W2849 CarbonylContact C-O 3.51Å; L2807-W2849 WeakPolarHBondContact CA-O 3.5Å; L2807-W2849 PolarHBondContact N-O 3.42Å; L2807-K2850 HydrophobicContact CD2-CD 4.26Å; L2807-K2850 HydrophobicContact CD2-CG 4.46Å
2808	L	34.5	Very low	32.2	Very low	22 Å²	22	77.5 Å²	77.5	12%	0.115	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118.2	179.8	-169	112.9	0	0	0	111.3	F2749 I2763 L2810 S2833 L2834 Q2835 W2849 K2850	F2749-L2808 HydrophobicContact CD2-CD1 4.28Å; I2763-L2808 HydrophobicContact CD1-CD2 3.67Å; L2808-L2810 HydrophobicContact CD2-CD1 4.16Å; L2808-L2810 HydrophobicContact CD2-CD2 4.08Å; L2808-L2810 HydrophobicContact CD2-CG 4.1Å; L2808-L2810 HydrophobicContact CG-CD2 4.02Å; L2808-L2810 HydrophobicContact CG-CG 4.09Å; L2808-L2810 PolarHBondContact O-N 3.36Å; L2808-S2833 PolarHBondContact N-O 3.4Å; L2808-S2833 VanDerWaalsContact N-O 3.09Å; L2808-L2834 HydrophobicContact CB-CD1 4.21Å; L2808-L2834 HydrophobicContact CD2-CD1 3.9Å; L2808-L2834 HydrophobicContact CG-CD1 4.47Å; L2808-Q2835 PolarHBondContact O-N 3.04Å; L2808-Q2835 VanDerWaalsContact O-N 3.1Å; L2808-W2849 PolarHBondContact N-O 3.36Å; L2808-K2850 HydrophobicContact CB-CB 4.17Å
2809	F	33.2	Very low	32.3	Very low	53.5 Å²	53.5	72.9 Å²	72.9	24%	0.235	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.5	176.4	-74.9	-84.1	0	0	0	111.5	Y2746 F2749 I2750 L2751 L2807 K2811 Q2835 Y2848 L2858	Y2746-F2809 HydrophobicContact CE1-CD2 4.48Å; Y2746-F2809 HydrophobicContact CE1-CE2 4.16Å; F2749-F2809 CarbonylContact O-C 3.57Å; F2749-F2809 WeakPolarHBondContact O-CB 3.38Å; F2749-F2809 PolarHBondContact O-N 3.21Å; I2750-F2809 WeakPolarHBondContact CA-O 3.41Å; I2750-F2809 HydrophobicContact CG1-CB 3.93Å; I2750-F2809 HydrophobicContact CG1-CG 4.46Å; L2751-F2809 PolarHBondContact N-O 2.73Å; L2807-F2809 HydrophobicContact CB-CD2 4.04Å; L2807-F2809 HydrophobicContact CB-CE2 4.01Å; L2807-F2809 HydrophobicContact CB-CZ 4.31Å; L2807-F2809 HydrophobicContact CD1-CE2 4.16Å; L2807-F2809 HydrophobicContact CD1-CZ 4.11Å; L2807-F2809 HydrophobicContact CD2-CD2 4.39Å; L2807-F2809 HydrophobicContact CD2-CE2 4.14Å; L2807-F2809 HydrophobicContact CD2-CZ 4.37Å; L2807-F2809 HydrophobicContact CG-CE2 4.33Å; L2807-F2809 PolarHBondContact O-N 2.74Å; F2809-K2811 PolarHBondContact O-N 2.96Å; F2809-K2811 VanDerWaalsContact O-N 3.15Å; F2809-Q2835 HydrophobicContact CD1-CB 4.15Å; F2809-Q2835 HydrophobicContact CD1-CG 4.4Å; F2809-Q2835 HydrophobicContact CE1-CB 4.42Å; F2809-Y2848 HydrophobicContact CB-CD2 4.14Å; F2809-Y2848 HydrophobicContact CB-CE2 4.23Å; F2809-Y2848 WeakPolarHBondContact O-CD2 3.31Å; F2809-L2858 HydrophobicContact CD1-CB 4.42Å; F2809-L2858 HydrophobicContact CE1-CB 4.33Å; F2809-L2858 HydrophobicContact CE1-CD1 4.47Å
2810	L	35	Very low	32.6	Very low	16.5 Å²	16.5	70 Å²	70	9%	0.086	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	105.2	177.1	-70.4	169	0	0	0	110	L2751 L2808 L2817 L2819 L2834 Q2835 I2836 I2837 L2857	L2751-L2810 HydrophobicContact CB-CD2 4.26Å; L2751-L2810 HydrophobicContact CD1-CD2 3.76Å; L2808-L2810 HydrophobicContact CD2-CD1 4.16Å; L2808-L2810 HydrophobicContact CD2-CD2 4.08Å; L2808-L2810 HydrophobicContact CD2-CG 4.1Å; L2808-L2810 HydrophobicContact CG-CD2 4.02Å; L2808-L2810 HydrophobicContact CG-CG 4.09Å; L2808-L2810 PolarHBondContact O-N 3.36Å; L2810-L2817 HydrophobicContact CD2-CD2 3.88Å; L2810-L2819 HydrophobicContact CD1-CD1 4.03Å; L2810-L2819 HydrophobicContact CD1-CD2 3.59Å; L2810-L2819 HydrophobicContact CD1-CG 4.36Å; L2810-L2834 HydrophobicContact CD1-CD1 4.09Å; L2810-Q2835 PolarHBondContact N-O 3.27Å; L2810-I2836 WeakPolarHBondContact O-CA 3.32Å; L2810-I2837 PolarHBondContact O-N 3.33Å; L2810-L2857 HydrophobicContact CD1-CD2 3.57Å
2811	K	35.2	Very low	32.5	Very low	76.5 Å²	76.5	66.1 Å²	66.1	33%	0.333	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	114	168.9	-177.5	165.4	-171.3	148.2	0	109.7	I2750 F2809 I2837 K2846 D2860	I2750-K2811 HydrophobicContact CG2-CB 4.19Å; F2809-K2811 PolarHBondContact O-N 2.96Å; F2809-K2811 VanDerWaalsContact O-N 3.15Å; K2811-I2837 WeakPolarHBondContact CA-O 3.26Å; K2811-I2837 HydrophobicContact CB-CB 4.13Å; K2811-I2837 HydrophobicContact CD-CB 4.28Å; K2811-I2837 HydrophobicContact CD-CG2 3.83Å; K2811-I2837 HydrophobicContact CG-CB 4.09Å; K2811-I2837 HydrophobicContact CG-CG2 4.01Å; K2811-K2846 HydrophobicContact CB-CD 4.14Å; K2811-D2860 HydrophobicContact CB-CB 4.32Å; K2811-D2860 HydrophobicContact CD-CB 4.29Å; K2811-D2860 VanDerWaalsContact CD-OD2 3.26Å; K2811-D2860 WeakPolarHBondContact CD-OD2 3.39Å; K2811-D2860 VanDerWaalsContact CE-CG 3.44Å; K2811-D2860 WeakPolarHBondContact CE-OD1 3.24Å; K2811-D2860 VanDerWaalsContact CE-OD2 3.24Å; K2811-D2860 WeakPolarHBondContact CE-OD2 3.31Å; K2811-D2860 HydrophobicContact CG-CB 4.12Å; K2811-D2860 VanDerWaalsContact NZ-CG 3.28Å; K2811-D2860 IonicContact NZ-OD1 2.62Å; K2811-D2860 PolarHBondContact NZ-OD1 3.47Å; K2811-D2860 VanDerWaalsContact NZ-OD1 3.1Å; K2811-D2860 IonicContact NZ-OD2 3.1Å; K2811-D2860 PolarHBondContact NZ-OD2 3.44Å
2812	T	36.9	Very low	32.5	Very low	16.5 Å²	16.5	59.1 Å²	59.1	10%	0.101	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.1	-179.6	69.5	0	0	0	0	111.6	L2756 N2814 L2817 I2837	L2756-T2812 HydrophobicContact CD1-CG2 3.67Å; T2812-N2814 PolarHBondContact OG1-O 2.81Å; T2812-N2814 VanDerWaalsContact OG1-O 3.09Å; T2812-L2817 HydrophobicContact CG2-CB 4.15Å; T2812-L2817 HydrophobicContact CG2-CD1 3.97Å; T2812-L2817 HydrophobicContact CG2-CD2 4.12Å; T2812-L2817 HydrophobicContact CG2-CG 4.16Å; T2812-I2837 PolarHBondContact N-O 3.02Å; T2812-I2837 VanDerWaalsContact N-O 3.12Å
2813	L	32.8	Very low	32.5	Very low	109 Å²	109	59.8 Å²	59.8	57%	0.571	30%	0.303	S	S	*	.			trans	-104.3	24.4	174.5	-61.7	175.4	0	0	0	111.3
2814	N	32.9	Very low	32.4	Very low	27.5 Å²	27.5	57.1 Å²	57.1	15%	0.147	29%	0.291	C	S	.	.	S	Bend	trans	-133.8	142.1	-163.9	-65.3	40.6	0	0	0	112.2	L2756 T2812 T2816 E2840 H2842 T2843 Q2844	L2756-N2814 PolarHBondContact N-ND2 2.86Å; L2756-N2814 VanDerWaalsContact O-CB 3.29Å; L2756-N2814 WeakPolarHBondContact O-CB 3.44Å; L2756-N2814 PolarHBondContact O-ND2 2.9Å; T2812-N2814 PolarHBondContact OG1-O 2.81Å; T2812-N2814 VanDerWaalsContact OG1-O 3.09Å; N2814-T2816 PolarHBondContact O-N 2.97Å; N2814-E2840 WeakPolarHBondContact CA-OE2 3.38Å; N2814-E2840 VanDerWaalsContact CB-OE2 3.29Å; N2814-E2840 WeakPolarHBondContact CB-OE2 3.47Å; N2814-E2840 PolarHBondContact ND2-OE2 3.47Å; N2814-H2842 PolarHBondContact ND2-O 2.95Å; N2814-T2843 HydrophobicContact CB-CG2 4.35Å; N2814-Q2844 PolarHBondContact OD1-N 2.77Å
2815	K	32.4	Very low	32.1	Very low	141.5 Å²	141.5	61.8 Å²	61.8	62%	0.615	31%	0.313	S	S	*	.	S	Bend	trans	-78	-10.1	-177.8	-104.1	-178.4	-176.6	-174.1	0	115.1	E2840 E2864	K2815-E2840 WeakPolarHBondContact CE-OE2 3.39Å; K2815-E2840 WeakPolarHBondContact CG-OE2 3.46Å; K2815-E2840 PolarHBondContact N-OE1 3.4Å; K2815-E2840 IonicContact NZ-OE2 3.82Å; K2815-E2864 WeakPolarHBondContact CE-OE2 3.41Å; K2815-E2864 IonicContact NZ-OE1 3.16Å; K2815-E2864 PolarHBondContact NZ-OE1 3.01Å; K2815-E2864 IonicContact NZ-OE2 2.91Å; K2815-E2864 PolarHBondContact NZ-OE2 3.41Å
2816	T	32.5	Very low	31.9	Very low	43.5 Å²	43.5	64 Å²	64	27%	0.267	33%	0.327	S	S	.	.			trans	-131.7	98.1	177.6	49.1	0	0	0	0	112	N2814 N2839 E2840	N2814-T2816 PolarHBondContact O-N 2.97Å; T2816-N2839 HydrophobicContact CG2-CB 4.26Å; T2816-N2839 PolarHBondContact OG1-N 2.85Å; T2816-E2840 WeakPolarHBondContact CB-OE1 3.22Å; T2816-E2840 PolarHBondContact N-OE1 2.93Å; T2816-E2840 WeakPolarHBondContact OG1-CG 3.44Å; T2816-E2840 PolarHBondContact OG1-N 2.82Å; T2816-E2840 PolarHBondContact OG1-OE1 3.49Å
2817	L	35.9	Very low	31.6	Very low	17 Å²	17	68.1 Å²	68.1	9%	0.089	36%	0.357	C	S	.	.			trans	-120	87.7	173.5	-176.5	86.9	0	0	0	109.9	L2756 I2761 L2810 T2812 L2819 I2836 T2838 T2843 Q2844 C2845	L2756-L2817 HydrophobicContact CD1-CD1 3.9Å; I2761-L2817 HydrophobicContact CD1-CD1 3.8Å; I2761-L2817 HydrophobicContact CG1-CD1 4.45Å; L2810-L2817 HydrophobicContact CD2-CD2 3.88Å; T2812-L2817 HydrophobicContact CG2-CB 4.15Å; T2812-L2817 HydrophobicContact CG2-CD1 3.97Å; T2812-L2817 HydrophobicContact CG2-CD2 4.12Å; T2812-L2817 HydrophobicContact CG2-CG 4.16Å; L2817-L2819 HydrophobicContact CD2-CD1 4.03Å; L2817-L2819 HydrophobicContact CD2-CG 4.22Å; L2817-L2819 HydrophobicContact CG-CG 4.24Å; L2817-L2819 PolarHBondContact O-N 3.11Å; L2817-L2819 VanDerWaalsContact O-N 3.12Å; L2817-I2836 HydrophobicContact CD1-CD1 4.21Å; L2817-I2836 HydrophobicContact CD1-CG2 3.58Å; L2817-I2836 HydrophobicContact CD2-CG2 3.61Å; L2817-I2836 HydrophobicContact CG-CG2 3.84Å; L2817-T2838 HydrophobicContact CD1-CG2 4.49Å; L2817-T2843 HydrophobicContact CB-CG2 4.46Å; L2817-Q2844 CarbonylContact O-C 3.58Å; L2817-C2845 VanDerWaalsContact CD1-SG 3.55Å
2818	N	35.5	Very low	31.3	Very low	53.5 Å²	53.5	68.9 Å²	68.9	29%	0.286	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	123.1	174	-73.3	-34	0	0	0	109.6	S2760 I2761 I2836 I2837 K2846	S2760-N2818 CarbonylContact C-O 3.58Å; S2760-N2818 VanDerWaalsContact CA-O 3.28Å; S2760-N2818 WeakPolarHBondContact CA-O 3.41Å; I2761-N2818 PolarHBondContact N-O 3.09Å; N2818-I2836 WeakPolarHBondContact O-CA 2.97Å; N2818-I2837 HydrophobicContact CB-CB 4.14Å; N2818-I2837 PolarHBondContact N-O 3.49Å; N2818-K2846 PolarHBondContact OD1-NZ 2.82Å
2819	L	34	Very low	30.8	Very low	38 Å²	38	73.4 Å²	73.4	20%	0.199	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.7	165.9	-75.7	164.3	0	0	0	109.6	I2761 I2763 L2810 L2817 L2834 I2836 K2846 L2857	I2761-L2819 HydrophobicContact CB-CD2 4.14Å; I2761-L2819 HydrophobicContact CG2-CD2 4.47Å; I2763-L2819 HydrophobicContact CD1-CD2 4.15Å; L2810-L2819 HydrophobicContact CD1-CD1 4.03Å; L2810-L2819 HydrophobicContact CD1-CD2 3.59Å; L2810-L2819 HydrophobicContact CD1-CG 4.36Å; L2817-L2819 HydrophobicContact CD2-CD1 4.03Å; L2817-L2819 HydrophobicContact CD2-CG 4.22Å; L2817-L2819 HydrophobicContact CG-CG 4.24Å; L2817-L2819 PolarHBondContact O-N 3.11Å; L2817-L2819 VanDerWaalsContact O-N 3.12Å; L2819-L2834 HydrophobicContact CD1-CD2 4.26Å; L2819-L2834 HydrophobicContact CD2-CD1 4.2Å; L2819-L2834 HydrophobicContact CD2-CD2 3.89Å; L2819-L2834 HydrophobicContact CD2-CG 4.19Å; L2819-I2836 HydrophobicContact CD1-CD1 3.51Å; L2819-I2836 HydrophobicContact CD1-CG1 4.27Å; L2819-I2836 HydrophobicContact CD2-CD1 4.47Å; L2819-I2836 HydrophobicContact CD2-CG1 4.36Å; L2819-K2846 CarbonylContact C-O 3.35Å; L2819-K2846 CarbonylContact O-C 3.2Å; L2819-K2846 WeakPolarHBondContact O-CA 3.42Å; L2819-K2846 VanDerWaalsContact O-CB 3.26Å; L2819-K2846 WeakPolarHBondContact O-CB 3.42Å; L2819-K2846 PolarHBondContact O-N 3.22Å; L2819-K2846 VanDerWaalsContact O-N 3.07Å; L2819-L2857 HydrophobicContact CD1-CD2 4.12Å
2820	T	34.5	Very low	30.6	Very low	39 Å²	39	73.8 Å²	73.8	24%	0.239	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	92.3	171.8	42.1	0	0	0	0	109.3	I2761 N2762 Q2835 K2846 Y2848	I2761-T2820 PolarHBondContact O-N 3.11Å; I2761-T2820 PolarHBondContact O-OG1 3.13Å; N2762-T2820 WeakPolarHBondContact CA-O 3.47Å; N2762-T2820 WeakPolarHBondContact OD1-CB 3.32Å; N2762-T2820 PolarHBondContact OD1-O 3.2Å; N2762-T2820 PolarHBondContact OD1-OG1 3.2Å; T2820-Q2835 PolarHBondContact N-O 3.5Å; T2820-K2846 HydrophobicContact CG2-CB 4.08Å; T2820-Y2848 HydrophobicContact CG2-CE2 3.96Å
2821	G	28.4	Very low	30.2	Very low	41 Å²	41	75.8 Å²	75.8	42%	0.423	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134.8	177.3	0	0	0	0	0	111.8	Y2848	G2821-Y2848 WeakPolarHBondContact O-CB 3.29Å; G2821-Y2848 WeakPolarHBondContact O-CD2 3.03Å; G2821-Y2848 PolarHBondContact O-N 3.46Å
2822	A	27.2	Very low	30	Very low	47.5 Å²	47.5	73.5 Å²	73.5	39%	0.393	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.6	177.1	0	0	0	0	0	111.1	I2763 L2764	I2763-A2822 PolarHBondContact O-N 3.41Å; L2764-A2822 HydrophobicContact CD2-CB 4.41Å
2823	Y	26.1	Very low	29.7	Very low	119.5 Å²	119.5	74.1 Å²	74.1	47%	0.469	41%	0.408	S	S	.	.			trans	148.8	116.3	-176.6	-122.1	-96.6	0	0	0	113	S2765 Q2825 Q2872	S2765-Y2823 PolarHBondContact N-O 2.94Å; S2765-Y2823 PolarHBondContact OG-O 2.62Å; Y2823-Q2825 HydrophobicContact CD1-CB 4.14Å; Y2823-Q2825 HydrophobicContact CE1-CB 4.05Å; Y2823-Q2872 PolarHBondContact OH-OE1 3.32Å
2824	F	27	Very low	29.8	Very low	128 Å²	128	70.2 Å²	70.2	56%	0.561	39%	0.388	S	S	*	.			trans	-134	120.2	155.4	-83.6	-95.2	0	0	0	107.9	L2830 W2849 W2852	F2824-L2830 HydrophobicContact CE1-CD1 4.49Å; F2824-W2849 HydrophobicContact CD2-CE3 4.38Å; F2824-W2849 HydrophobicContact CD2-CZ3 4.08Å; F2824-W2849 HydrophobicContact CE2-CE3 4.48Å; F2824-W2849 AromaticContact CE2-CZ3 3.74Å; F2824-W2849 HydrophobicContact CE2-CZ3 3.74Å; F2824-W2852 HydrophobicContact CE1-CZ2 4.29Å; F2824-W2852 HydrophobicContact CE2-CZ2 4.06Å; F2824-W2852 AromaticContact CZ-CZ2 3.78Å; F2824-W2852 HydrophobicContact CZ-CZ2 3.78Å
2825	Q	25.6	Very low	29.8	Very low	132.5 Å²	132.5	72 Å²	72	62%	0.619	40%	0.395	S	S	*	.			trans	-134.3	80	-170.5	-171	-168.3	-53.8	0	0	112.5	Y2823	Y2823-Q2825 HydrophobicContact CD1-CB 4.14Å; Y2823-Q2825 HydrophobicContact CE1-CB 4.05Å
2826	Q	26.1	Very low	30	Very low	151.5 Å²	151.5	65.3 Å²	65.3	71%	0.708	37%	0.366	S	S	*	.	S	Bend	trans	-155.8	155.3	156.9	-116.6	175.6	-8.2	0	0	110.9	I2767 G2828	I2767-Q2826 HydrophobicContact CD1-CB 3.54Å; I2767-Q2826 HydrophobicContact CD1-CG 4.49Å; Q2826-G2828 PolarHBondContact O-N 3.06Å
2827	S	25.3	Very low	30.1	Very low	123.5 Å²	123.5	65.4 Å²	65.4	86%	0.864	37%	0.365	S	S	*	.	S	Bend		-93.6	63.3	-97.1	50.5	0	0	0	0	111.6
2828	G	25.6	Very low	30.3	Very low	49 Å²	49	64.8 Å²	64.8	51%	0.505	36%	0.361	S	S	.	.	S	Bend	trans	165.5	70.1	-176.8	0	0	0	0	0	112.2	Q2826 L2830	Q2826-G2828 PolarHBondContact O-N 3.06Å; G2828-L2830 VanDerWaalsContact C-N 3.28Å; G2828-L2830 PolarHBondContact O-N 2.9Å
2829	I	25.2	Very low	30.2	Very low	116.5 Å²	116.5	66.5 Å²	66.5	60%	0.597	37%	0.371	S	S	*	.			trans	-72.5	99	175.3	-57.1	173.1	0	0	0	109.3	N2831	I2829-N2831 VanDerWaalsContact C-N 3.3Å; I2829-N2831 PolarHBondContact O-N 3.08Å; I2829-N2831 VanDerWaalsContact O-N 3.09Å
2830	L	28.3	Very low	30.2	Very low	62.5 Å²	62.5	68 Å²	68	33%	0.327	38%	0.377	S	S	.	.			trans	-86.3	77.7	176.1	-121.5	172.2	0	0	0	109.7	S2765 P2806 F2824 G2828 T2832 W2849 W2852	S2765-L2830 WeakPolarHBondContact OG-CB 3.12Å; S2765-L2830 PolarHBondContact OG-O 3.28Å; P2806-L2830 HydrophobicContact CG-CD2 3.92Å; F2824-L2830 HydrophobicContact CE1-CD1 4.49Å; G2828-L2830 VanDerWaalsContact C-N 3.28Å; G2828-L2830 PolarHBondContact O-N 2.9Å; L2830-T2832 HydrophobicContact CD2-CG2 3.61Å; L2830-T2832 WeakPolarHBondContact CD2-OG1 3.48Å; L2830-T2832 PolarHBondContact O-N 3.1Å; L2830-T2832 PolarHBondContact O-OG1 3.13Å; L2830-W2849 HydrophobicContact CD2-CE3 4.49Å; L2830-W2849 HydrophobicContact CD2-CZ3 4.44Å; L2830-W2852 VanDerWaalsContact CD1-NE1 3.27Å
2831	N	27.5	Very low	30.4	Very low	58.5 Å²	58.5	71.8 Å²	71.8	31%	0.313	39%	0.391	S	S	.	.			trans	-76.8	80.1	169	-80.3	-17.8	0	0	0	109.9	Y2805 I2829	Y2805-N2831 HydrophobicContact CD1-CB 3.51Å; Y2805-N2831 VanDerWaalsContact CD1-O 3.24Å; Y2805-N2831 WeakPolarHBondContact CD1-O 3.27Å; Y2805-N2831 HydrophobicContact CE1-CB 3.5Å; I2829-N2831 VanDerWaalsContact C-N 3.3Å; I2829-N2831 PolarHBondContact O-N 3.08Å; I2829-N2831 VanDerWaalsContact O-N 3.09Å
2832	T	30.7	Very low	30.7	Very low	27.5 Å²	27.5	76 Å²	76	17%	0.169	40%	0.4	C	S	.	.			trans	-92.4	91.9	176.4	28.5	0	0	0	0	111.1	P2806 L2830 L2834 W2849 W2852	P2806-T2832 HydrophobicContact CG-CG2 3.76Å; L2830-T2832 HydrophobicContact CD2-CG2 3.61Å; L2830-T2832 WeakPolarHBondContact CD2-OG1 3.48Å; L2830-T2832 PolarHBondContact O-N 3.1Å; L2830-T2832 PolarHBondContact O-OG1 3.13Å; T2832-L2834 PolarHBondContact O-N 3.03Å; T2832-W2849 HydrophobicContact CG2-CH2 3.5Å; T2832-W2849 VanDerWaalsContact CG2-CH2 3.5Å; T2832-W2849 HydrophobicContact CG2-CZ2 3.6Å; T2832-W2849 HydrophobicContact CG2-CZ3 3.98Å; T2832-W2852 HydrophobicContact CG2-CH2 4.49Å; T2832-W2852 WeakPolarHBondContact O-CZ3 3.29Å; T2832-W2852 WeakPolarHBondContact OG1-CH2 3.07Å; T2832-W2852 WeakPolarHBondContact OG1-CZ2 3.39Å
2833	S	30.4	Very low	31	Very low	30.5 Å²	30.5	73.8 Å²	73.8	21%	0.213	38%	0.382	C	S	.	.			trans	-77.6	124.1	176.7	44.2	0	0	0	0	111	L2807 L2808	L2807-S2833 WeakPolarHBondContact CD2-OG 3.41Å; L2807-S2833 WeakPolarHBondContact CG-OG 3.43Å; L2808-S2833 PolarHBondContact N-O 3.4Å; L2808-S2833 VanDerWaalsContact N-O 3.09Å
2834	L	33.9	Very low	31.3	Very low	27 Å²	27	71.1 Å²	71.1	14%	0.141	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	97.6	-177.5	-173.9	99.9	0	0	0	109.4	L2808 L2810 L2819 T2832 I2836 F2847 L2857	L2808-L2834 HydrophobicContact CB-CD1 4.21Å; L2808-L2834 HydrophobicContact CD2-CD1 3.9Å; L2808-L2834 HydrophobicContact CG-CD1 4.47Å; L2810-L2834 HydrophobicContact CD1-CD1 4.09Å; L2819-L2834 HydrophobicContact CD1-CD2 4.26Å; L2819-L2834 HydrophobicContact CD2-CD1 4.2Å; L2819-L2834 HydrophobicContact CD2-CD2 3.89Å; L2819-L2834 HydrophobicContact CD2-CG 4.19Å; T2832-L2834 PolarHBondContact O-N 3.03Å; L2834-I2836 HydrophobicContact CD2-CD1 3.77Å; L2834-I2836 HydrophobicContact CD2-CG1 3.86Å; L2834-I2836 HydrophobicContact CG-CD1 4.34Å; L2834-I2836 HydrophobicContact CG-CG1 4.05Å; L2834-F2847 HydrophobicContact CD2-CD1 4.03Å; L2834-F2847 HydrophobicContact CD2-CE1 3.77Å; L2834-F2847 HydrophobicContact CD2-CZ 3.94Å; L2834-L2857 HydrophobicContact CD2-CD2 4.45Å
2835	Q	33.2	Very low	31.7	Very low	63.5 Å²	63.5	65.1 Å²	65.1	30%	0.297	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.7	179.2	-171.5	172.1	2.3	0	0	110.2	L2808 F2809 L2810 T2820 I2837 L2858	L2808-Q2835 PolarHBondContact O-N 3.04Å; L2808-Q2835 VanDerWaalsContact O-N 3.1Å; F2809-Q2835 HydrophobicContact CD1-CB 4.15Å; F2809-Q2835 HydrophobicContact CD1-CG 4.4Å; F2809-Q2835 HydrophobicContact CE1-CB 4.42Å; L2810-Q2835 PolarHBondContact N-O 3.27Å; T2820-Q2835 PolarHBondContact N-O 3.5Å; Q2835-I2837 HydrophobicContact CG-CG1 4.19Å; Q2835-L2858 HydrophobicContact CG-CB 3.87Å
2836	I	37.4	Very low	31.9	Very low	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.2	178.3	-50.4	-174.9	0	0	0	109.5	G2759 L2810 L2817 N2818 L2819 L2834 T2838 T2843 F2847 L2857 L2858	G2759-I2836 VanDerWaalsContact O-O 3.08Å; L2810-I2836 WeakPolarHBondContact O-CA 3.32Å; L2817-I2836 HydrophobicContact CD1-CD1 4.21Å; L2817-I2836 HydrophobicContact CD1-CG2 3.58Å; L2817-I2836 HydrophobicContact CD2-CG2 3.61Å; L2817-I2836 HydrophobicContact CG-CG2 3.84Å; N2818-I2836 WeakPolarHBondContact O-CA 2.97Å; L2819-I2836 HydrophobicContact CD1-CD1 3.51Å; L2819-I2836 HydrophobicContact CD1-CG1 4.27Å; L2819-I2836 HydrophobicContact CD2-CD1 4.47Å; L2819-I2836 HydrophobicContact CD2-CG1 4.36Å; L2834-I2836 HydrophobicContact CD2-CD1 3.77Å; L2834-I2836 HydrophobicContact CD2-CG1 3.86Å; L2834-I2836 HydrophobicContact CG-CD1 4.34Å; L2834-I2836 HydrophobicContact CG-CG1 4.05Å; I2836-T2838 HydrophobicContact CG2-CG2 3.98Å; I2836-T2843 HydrophobicContact CG2-CG2 4.27Å; I2836-F2847 HydrophobicContact CD1-CD1 4.29Å; I2836-F2847 HydrophobicContact CD1-CE1 3.29Å; I2836-F2847 HydrophobicContact CD1-CE2 4.43Å; I2836-F2847 HydrophobicContact CD1-CZ 3.38Å; I2836-F2847 HydrophobicContact CG1-CE1 3.98Å; I2836-F2847 HydrophobicContact CG1-CZ 4.11Å; I2836-L2857 HydrophobicContact CD1-CD2 3.88Å; I2836-L2857 HydrophobicContact CG1-CD2 4.28Å; I2836-L2858 VanDerWaalsContact O-O 3.08Å
2837	I	35.4	Very low	32.2	Very low	47 Å²	47	54.8 Å²	54.8	24%	0.241	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.9	176.3	-57.7	171.6	0	0	0	108.3	L2810 K2811 T2812 N2818 Q2835	L2810-I2837 PolarHBondContact O-N 3.33Å; K2811-I2837 WeakPolarHBondContact CA-O 3.26Å; K2811-I2837 HydrophobicContact CB-CB 4.13Å; K2811-I2837 HydrophobicContact CD-CB 4.28Å; K2811-I2837 HydrophobicContact CD-CG2 3.83Å; K2811-I2837 HydrophobicContact CG-CB 4.09Å; K2811-I2837 HydrophobicContact CG-CG2 4.01Å; T2812-I2837 PolarHBondContact N-O 3.02Å; T2812-I2837 VanDerWaalsContact N-O 3.12Å; N2818-I2837 HydrophobicContact CB-CB 4.14Å; N2818-I2837 PolarHBondContact N-O 3.49Å; Q2835-I2837 HydrophobicContact CG-CG1 4.19Å
2838	T	38.2	Very low	32.4	Very low	3.5 Å²	3.5	51.3 Å²	51.3	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.9	179.4	54.3	0	0	0	0	111.8	L2817 I2836 T2843 N2861	L2817-T2838 HydrophobicContact CD1-CG2 4.49Å; I2836-T2838 HydrophobicContact CG2-CG2 3.98Å; T2838-T2843 HydrophobicContact CG2-CG2 3.71Å; T2838-T2843 PolarHBondContact OG1-OG1 2.99Å; T2838-N2861 PolarHBondContact O-ND2 2.8Å
2839	N	33.4	Very low	32.8	Very low	90 Å²	90	52.2 Å²	52.2	48%	0.481	25%	0.254	S	S	.	.			trans	-91.5	-19.6	178.5	-69.7	-8.2	0	0	0	113.4	T2816 N2861	T2816-N2839 HydrophobicContact CG2-CB 4.26Å; T2816-N2839 PolarHBondContact OG1-N 2.85Å; N2839-N2861 PolarHBondContact O-ND2 2.76Å
2840	E	35.1	Very low	33	Very low	68.5 Å²	68.5	52.5 Å²	52.5	32%	0.32	25%	0.251	S	S	.	.	S	Bend	trans	-109.6	145.9	-172.9	-69.8	174.3	-143.6	0	0	113.4	N2814 K2815 T2816 H2842 T2843	N2814-E2840 WeakPolarHBondContact CA-OE2 3.38Å; N2814-E2840 VanDerWaalsContact CB-OE2 3.29Å; N2814-E2840 WeakPolarHBondContact CB-OE2 3.47Å; N2814-E2840 PolarHBondContact ND2-OE2 3.47Å; K2815-E2840 WeakPolarHBondContact CE-OE2 3.39Å; K2815-E2840 WeakPolarHBondContact CG-OE2 3.46Å; K2815-E2840 PolarHBondContact N-OE1 3.4Å; K2815-E2840 IonicContact NZ-OE2 3.82Å; T2816-E2840 WeakPolarHBondContact CB-OE1 3.22Å; T2816-E2840 PolarHBondContact N-OE1 2.93Å; T2816-E2840 WeakPolarHBondContact OG1-CG 3.44Å; T2816-E2840 PolarHBondContact OG1-N 2.82Å; T2816-E2840 PolarHBondContact OG1-OE1 3.49Å; E2840-H2842 PolarHBondContact O-N 3.14Å; E2840-T2843 HydrophobicContact CB-CG2 4.38Å; E2840-T2843 PolarHBondContact O-N 2.88Å; E2840-T2843 PolarHBondContact O-OG1 3.29Å
2841	H	37.8	Very low	33	Very low	118.5 Å²	118.5	55.1 Å²	55.1	55%	0.549	26%	0.26	S	S	.	.	S	Bend	trans	-63.9	-9	-163.5	-115.8	-52.9	0	0	0	117.1	N2754 K2757 H2862	N2754-H2841 PolarHBondContact O-CE1 3.36Å; N2754-H2841 PolarHBondContact O-ND1 2.74Å; K2757-H2841 VanDerWaalsContact CE-CD2 3.46Å; K2757-H2841 WeakPolarHBondContact CE-CD2 3.48Å; K2757-H2841 WeakPolarHBondContact CE-NE2 3.38Å; H2841-H2862 WeakPolarHBondContact O-CB 3.08Å
2842	H	34.3	Very low	33.1	Very low	129.5 Å²	129.5	56.2 Å²	56.2	60%	0.6	26%	0.26	S	S	*	.			trans	-130.3	107.2	173.5	-80.1	-72.9	0	0	0	111.5	N2814 E2840	N2814-H2842 PolarHBondContact ND2-O 2.95Å; E2840-H2842 PolarHBondContact O-N 3.14Å
2843	T	34.4	Very low	32.9	Very low	2 Å²	2	60 Å²	60	1%	0.012	28%	0.279	C	S	.	.			trans	-118.9	112.2	178.1	-15.2	0	0	0	0	111.1	N2814 L2817 I2836 T2838 E2840 H2862 L2863 E2864	N2814-T2843 HydrophobicContact CB-CG2 4.35Å; L2817-T2843 HydrophobicContact CB-CG2 4.46Å; I2836-T2843 HydrophobicContact CG2-CG2 4.27Å; T2838-T2843 HydrophobicContact CG2-CG2 3.71Å; T2838-T2843 PolarHBondContact OG1-OG1 2.99Å; E2840-T2843 HydrophobicContact CB-CG2 4.38Å; E2840-T2843 PolarHBondContact O-N 2.88Å; E2840-T2843 PolarHBondContact O-OG1 3.29Å; T2843-H2862 VanDerWaalsContact CB-O 3.31Å; T2843-H2862 WeakPolarHBondContact CB-O 2.77Å; T2843-H2862 PolarHBondContact N-O 3.22Å; T2843-H2862 PolarHBondContact OG1-O 3.38Å; T2843-L2863 HydrophobicContact CG2-CD1 4.14Å; T2843-E2864 PolarHBondContact O-N 3.15Å
2844	Q	32.8	Very low	32.7	Very low	63 Å²	63	60.5 Å²	60.5	29%	0.294	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	97.2	174.2	-82.2	-169.1	-21	0	0	110.9	N2752 N2814 L2817 E2864	N2752-Q2844 WeakPolarHBondContact OD1-CG 3.48Å; N2752-Q2844 PolarHBondContact OD1-NE2 3.42Å; N2814-Q2844 PolarHBondContact OD1-N 2.77Å; L2817-Q2844 CarbonylContact O-C 3.58Å; Q2844-E2864 HydrophobicContact CG-CB 4.24Å; Q2844-E2864 HydrophobicContact CG-CG 4.36Å; Q2844-E2864 WeakPolarHBondContact CG-OE2 3.21Å; Q2844-E2864 PolarHBondContact NE2-OE2 2.75Å
2845	C	35.2	Very low	32.4	Very low	1 Å²	1	63 Å²	63	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.9	174.8	-60.7	0	0	0	0	110.4	L2817 F2847 E2864 L2865 N2866	L2817-C2845 VanDerWaalsContact CD1-SG 3.55Å; C2845-F2847 HydrophobicContact CB-CD2 4.18Å; C2845-F2847 HydrophobicContact CB-CE1 4.31Å; C2845-F2847 HydrophobicContact CB-CE2 3.57Å; C2845-F2847 HydrophobicContact CB-CZ 3.9Å; C2845-E2864 PolarHBondContact N-O 2.85Å; C2845-L2865 HydrophobicContact CB-CD2 4.28Å; C2845-N2866 PolarHBondContact O-N 3.27Å
2846	K	30.1	Very low	32.2	Very low	50.5 Å²	50.5	64.7 Å²	64.7	22%	0.22	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.8	169	-73.1	172.1	-175.2	157.8	0	109.3	K2811 N2818 L2819 T2820 Y2848 N2866	K2811-K2846 HydrophobicContact CB-CD 4.14Å; N2818-K2846 PolarHBondContact OD1-NZ 2.82Å; L2819-K2846 CarbonylContact C-O 3.35Å; L2819-K2846 CarbonylContact O-C 3.2Å; L2819-K2846 WeakPolarHBondContact O-CA 3.42Å; L2819-K2846 VanDerWaalsContact O-CB 3.26Å; L2819-K2846 WeakPolarHBondContact O-CB 3.42Å; L2819-K2846 PolarHBondContact O-N 3.22Å; L2819-K2846 VanDerWaalsContact O-N 3.07Å; T2820-K2846 HydrophobicContact CG2-CB 4.08Å; K2846-Y2848 HydrophobicContact CB-CE2 4.47Å; K2846-N2866 WeakPolarHBondContact CA-O 3.3Å; K2846-N2866 HydrophobicContact CD-CB 4.45Å; K2846-N2866 HydrophobicContact CG-CB 3.52Å
2847	F	31	Very low	31.8	Very low	17.5 Å²	17.5	67.3 Å²	67.3	8%	0.077	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.3	-170.6	-74	-62.1	0	0	0	110.4	F2749 I2761 I2763 L2834 I2836 C2845 W2849 L2865	F2749-F2847 HydrophobicContact CE1-CB 4.29Å; F2749-F2847 HydrophobicContact CE2-CB 4.49Å; F2749-F2847 HydrophobicContact CE2-CD2 4.03Å; F2749-F2847 HydrophobicContact CZ-CB 3.92Å; F2749-F2847 HydrophobicContact CZ-CD2 4.05Å; F2749-F2847 HydrophobicContact CZ-CG 4.26Å; I2761-F2847 HydrophobicContact CB-CZ 4.24Å; I2761-F2847 HydrophobicContact CD1-CE2 3.96Å; I2761-F2847 HydrophobicContact CD1-CZ 3.84Å; I2761-F2847 HydrophobicContact CG2-CE2 4.5Å; I2761-F2847 HydrophobicContact CG2-CZ 4.03Å; I2763-F2847 HydrophobicContact CD1-CB 4.18Å; I2763-F2847 HydrophobicContact CD1-CD1 3.41Å; I2763-F2847 VanDerWaalsContact CD1-CD1 3.41Å; I2763-F2847 HydrophobicContact CD1-CD2 4.39Å; I2763-F2847 HydrophobicContact CD1-CE1 3.71Å; I2763-F2847 HydrophobicContact CD1-CG 3.77Å; I2763-F2847 HydrophobicContact CD1-CZ 4.33Å; L2834-F2847 HydrophobicContact CD2-CD1 4.03Å; L2834-F2847 HydrophobicContact CD2-CE1 3.77Å; L2834-F2847 HydrophobicContact CD2-CZ 3.94Å; I2836-F2847 HydrophobicContact CD1-CD1 4.29Å; I2836-F2847 HydrophobicContact CD1-CE1 3.29Å; I2836-F2847 HydrophobicContact CD1-CE2 4.43Å; I2836-F2847 HydrophobicContact CD1-CZ 3.38Å; I2836-F2847 HydrophobicContact CG1-CE1 3.98Å; I2836-F2847 HydrophobicContact CG1-CZ 4.11Å; C2845-F2847 HydrophobicContact CB-CD2 4.18Å; C2845-F2847 HydrophobicContact CB-CE1 4.31Å; C2845-F2847 HydrophobicContact CB-CE2 3.57Å; C2845-F2847 HydrophobicContact CB-CZ 3.9Å; F2847-W2849 AromaticContact CD1-CE2 3.73Å; F2847-W2849 AromaticContact CD1-CZ2 3.58Å; F2847-W2849 HydrophobicContact CD1-CZ2 3.58Å; F2847-W2849 AromaticContact CD1-NE1 3.35Å; F2847-W2849 AromaticContact CE1-CZ2 3.89Å; F2847-W2849 HydrophobicContact CE1-CZ2 3.89Å; F2847-W2849 HydrophobicContact CG-CZ2 4.47Å; F2847-W2849 AromaticContact CG-NE1 3.37Å; F2847-L2865 HydrophobicContact CD2-CD2 3.89Å; F2847-L2865 HydrophobicContact CE2-CD2 3.63Å
2848	Y	31.1	Very low	31.5	Very low	51 Å²	51	69.6 Å²	69.6	20%	0.2	33%	0.329	C	S	.	.			trans	-131.5	134.8	170.2	-48.2	-93.1	0	0	0	108.1	Y2726 L2807 F2809 T2820 G2821 K2846 N2868 I2870	Y2726-Y2848 HydrophobicContact CE2-CE1 4.06Å; Y2726-Y2848 PolarHBondContact OH-OH 3.31Å; L2807-Y2848 WeakPolarHBondContact O-CB 2.98Å; F2809-Y2848 HydrophobicContact CB-CD2 4.14Å; F2809-Y2848 HydrophobicContact CB-CE2 4.23Å; F2809-Y2848 WeakPolarHBondContact O-CD2 3.31Å; T2820-Y2848 HydrophobicContact CG2-CE2 3.96Å; G2821-Y2848 WeakPolarHBondContact O-CB 3.29Å; G2821-Y2848 WeakPolarHBondContact O-CD2 3.03Å; G2821-Y2848 PolarHBondContact O-N 3.46Å; K2846-Y2848 HydrophobicContact CB-CE2 4.47Å; Y2848-N2868 HydrophobicContact CD1-CB 3.91Å; Y2848-N2868 WeakPolarHBondContact CD1-O 3.45Å; Y2848-N2868 HydrophobicContact CE1-CB 3.34Å; Y2848-N2868 PolarHBondContact OH-ND2 3.48Å; Y2848-I2870 HydrophobicContact CD1-CD1 3.59Å; Y2848-I2870 HydrophobicContact CD1-CG1 3.86Å; Y2848-I2870 HydrophobicContact CE1-CD1 3.33Å; Y2848-I2870 HydrophobicContact CE1-CG1 3.79Å
2849	W	33.8	Very low	31.2	Very low	67 Å²	67	71.9 Å²	71.9	25%	0.254	34%	0.34	S	S	.	.			trans	-133	171.1	-179	-93	89.8	0	0	0	111.7	P2806 L2807 L2808 F2824 L2830 T2832 F2847 W2852	P2806-W2849 CarbonylContact C-O 3.48Å; P2806-W2849 WeakPolarHBondContact CB-O 3.35Å; P2806-W2849 VanDerWaalsContact O-O 3.14Å; L2807-W2849 CarbonylContact C-O 3.51Å; L2807-W2849 WeakPolarHBondContact CA-O 3.5Å; L2807-W2849 PolarHBondContact N-O 3.42Å; L2808-W2849 PolarHBondContact N-O 3.36Å; F2824-W2849 HydrophobicContact CD2-CE3 4.38Å; F2824-W2849 HydrophobicContact CD2-CZ3 4.08Å; F2824-W2849 HydrophobicContact CE2-CE3 4.48Å; F2824-W2849 AromaticContact CE2-CZ3 3.74Å; F2824-W2849 HydrophobicContact CE2-CZ3 3.74Å; L2830-W2849 HydrophobicContact CD2-CE3 4.49Å; L2830-W2849 HydrophobicContact CD2-CZ3 4.44Å; T2832-W2849 HydrophobicContact CG2-CH2 3.5Å; T2832-W2849 VanDerWaalsContact CG2-CH2 3.5Å; T2832-W2849 HydrophobicContact CG2-CZ2 3.6Å; T2832-W2849 HydrophobicContact CG2-CZ3 3.98Å; F2847-W2849 AromaticContact CD1-CE2 3.73Å; F2847-W2849 AromaticContact CD1-CZ2 3.58Å; F2847-W2849 HydrophobicContact CD1-CZ2 3.58Å; F2847-W2849 AromaticContact CD1-NE1 3.35Å; F2847-W2849 AromaticContact CE1-CZ2 3.89Å; F2847-W2849 HydrophobicContact CE1-CZ2 3.89Å; F2847-W2849 HydrophobicContact CG-CZ2 4.47Å; F2847-W2849 AromaticContact CG-NE1 3.37Å; W2849-W2852 AromaticContact CE3-CD1 3.94Å; W2849-W2852 HydrophobicContact CE3-CD2 4.34Å; W2849-W2852 AromaticContact CE3-CE2 3.66Å; W2849-W2852 AromaticContact CE3-CZ2 3.94Å; W2849-W2852 HydrophobicContact CE3-CZ2 3.94Å; W2849-W2852 AromaticContact CE3-NE1 3.46Å; W2849-W2852 AromaticContact CH2-CH2 3.79Å; W2849-W2852 HydrophobicContact CH2-CH2 3.79Å; W2849-W2852 AromaticContact CH2-CZ2 3.53Å; W2849-W2852 HydrophobicContact CH2-CZ2 3.53Å; W2849-W2852 HydrophobicContact CZ2-CH2 4.44Å; W2849-W2852 HydrophobicContact CZ2-CZ2 4.43Å; W2849-W2852 HydrophobicContact CZ3-CD2 4.43Å; W2849-W2852 AromaticContact CZ3-CE2 3.48Å; W2849-W2852 VanDerWaalsContact CZ3-CE2 3.48Å; W2849-W2852 AromaticContact CZ3-CH2 3.99Å; W2849-W2852 HydrophobicContact CZ3-CH2 3.99Å; W2849-W2852 AromaticContact CZ3-CZ2 3.24Å; W2849-W2852 HydrophobicContact CZ3-CZ2 3.24Å; W2849-W2852 AromaticContact CZ3-NE1 3.64Å
2850	K	28.1	Very low	30.9	Very low	122.5 Å²	122.5	71.2 Å²	71.2	53%	0.533	34%	0.337	S	S	.	.	S	Bend	trans	-131.3	-94.3	-176.3	-149.1	173.9	-177.3	178.8	0	113.7	P2806 L2807 L2808	P2806-K2850 WeakPolarHBondContact O-CA 3.39Å; L2807-K2850 HydrophobicContact CD2-CD 4.26Å; L2807-K2850 HydrophobicContact CD2-CG 4.46Å; L2808-K2850 HydrophobicContact CB-CB 4.17Å
2851	K	29.2	Very low	30.7	Very low	118.5 Å²	118.5	71.8 Å²	71.8	52%	0.515	34%	0.342	S	S	.	.			trans	-114.7	132.9	164.4	-98	179.9	175.5	-178.4	0	110.7	Y2805 N2853	Y2805-K2851 HydrophobicContact CD1-CG 4.49Å; Y2805-K2851 HydrophobicContact CD2-CG 4.42Å; Y2805-K2851 HydrophobicContact CG-CG 4.27Å; K2851-N2853 PolarHBondContact O-N 3.4Å; K2851-N2853 VanDerWaalsContact O-N 3.13Å
2852	W	30	Very low	30.2	Very low	80.5 Å²	80.5	71.5 Å²	71.5	31%	0.305	34%	0.341	S	S	.	.			trans	-106.9	55.2	-177.4	-75.7	25.3	0	0	0	111.6	F2824 L2830 T2832 W2849 S2854 I2855 F2889	F2824-W2852 HydrophobicContact CE1-CZ2 4.29Å; F2824-W2852 HydrophobicContact CE2-CZ2 4.06Å; F2824-W2852 AromaticContact CZ-CZ2 3.78Å; F2824-W2852 HydrophobicContact CZ-CZ2 3.78Å; L2830-W2852 VanDerWaalsContact CD1-NE1 3.27Å; T2832-W2852 HydrophobicContact CG2-CH2 4.49Å; T2832-W2852 WeakPolarHBondContact O-CZ3 3.29Å; T2832-W2852 WeakPolarHBondContact OG1-CH2 3.07Å; T2832-W2852 WeakPolarHBondContact OG1-CZ2 3.39Å; W2849-W2852 AromaticContact CE3-CD1 3.94Å; W2849-W2852 HydrophobicContact CE3-CD2 4.34Å; W2849-W2852 AromaticContact CE3-CE2 3.66Å; W2849-W2852 AromaticContact CE3-CZ2 3.94Å; W2849-W2852 HydrophobicContact CE3-CZ2 3.94Å; W2849-W2852 AromaticContact CE3-NE1 3.46Å; W2849-W2852 AromaticContact CH2-CH2 3.79Å; W2849-W2852 HydrophobicContact CH2-CH2 3.79Å; W2849-W2852 AromaticContact CH2-CZ2 3.53Å; W2849-W2852 HydrophobicContact CH2-CZ2 3.53Å; W2849-W2852 HydrophobicContact CZ2-CH2 4.44Å; W2849-W2852 HydrophobicContact CZ2-CZ2 4.43Å; W2849-W2852 HydrophobicContact CZ3-CD2 4.43Å; W2849-W2852 AromaticContact CZ3-CE2 3.48Å; W2849-W2852 VanDerWaalsContact CZ3-CE2 3.48Å; W2849-W2852 AromaticContact CZ3-CH2 3.99Å; W2849-W2852 HydrophobicContact CZ3-CH2 3.99Å; W2849-W2852 AromaticContact CZ3-CZ2 3.24Å; W2849-W2852 HydrophobicContact CZ3-CZ2 3.24Å; W2849-W2852 AromaticContact CZ3-NE1 3.64Å; W2852-S2854 PolarHBondContact O-N 2.99Å; W2852-I2855 HydrophobicContact CE3-CD1 4.4Å; W2852-I2855 HydrophobicContact CE3-CG1 3.83Å; W2852-I2855 HydrophobicContact CZ3-CG1 4.1Å; W2852-F2889 WeakPolarHBondContact O-CZ 3.46Å
2853	N	25.5	Very low	30	Very low	108 Å²	108	68 Å²	68	58%	0.578	33%	0.326	S	S	*	.	S	Bend	trans	-82.4	-25.9	-165.6	-56.5	79.1	0	0	0	115.4	K2851 D2887	K2851-N2853 PolarHBondContact O-N 3.4Å; K2851-N2853 VanDerWaalsContact O-N 3.13Å; N2853-D2887 PolarHBondContact ND2-OD1 3.33Å
2854	S	26.8	Very low	29.7	Very low	41 Å²	41	71.7 Å²	71.7	29%	0.287	34%	0.344	S	S	.	.			trans	-159.6	140.2	-176	57.4	0	0	0	0	112.9	W2852	W2852-S2854 PolarHBondContact O-N 2.99Å
2855	I	28.5	Very low	29.5	Very low	79 Å²	79	73 Å²	73	41%	0.405	35%	0.352	S	S	.	.			trans	-110.8	112.2	171.4	-57.3	173.2	0	0	0	108.2	W2852 L2857 F2889	W2852-I2855 HydrophobicContact CE3-CD1 4.4Å; W2852-I2855 HydrophobicContact CE3-CG1 3.83Å; W2852-I2855 HydrophobicContact CZ3-CG1 4.1Å; I2855-L2857 HydrophobicContact CG2-CD1 4.35Å; I2855-L2857 HydrophobicContact CG2-CD2 3.97Å; I2855-L2857 HydrophobicContact CG2-CG 3.92Å; I2855-F2889 HydrophobicContact CD1-CE1 4.21Å; I2855-F2889 HydrophobicContact CG1-CE1 4.17Å
2856	H	28.4	Very low	29.2	Very low	99 Å²	99	76.4 Å²	76.4	46%	0.458	37%	0.37	S	S	.	.			trans	-99.6	110.9	169	-72.7	-88	0	0	0	109.7
2857	L	28.9	Very low	29	Very low	55.5 Å²	55.5	80.7 Å²	80.7	29%	0.291	39%	0.386	S	S	.	.			trans	-97.4	109.1	173.3	-78.1	162.1	0	0	0	109.4	L2810 L2819 L2834 I2836 I2855 I2859 L2863	L2810-L2857 HydrophobicContact CD1-CD2 3.57Å; L2819-L2857 HydrophobicContact CD1-CD2 4.12Å; L2834-L2857 HydrophobicContact CD2-CD2 4.45Å; I2836-L2857 HydrophobicContact CD1-CD2 3.88Å; I2836-L2857 HydrophobicContact CG1-CD2 4.28Å; I2855-L2857 HydrophobicContact CG2-CD1 4.35Å; I2855-L2857 HydrophobicContact CG2-CD2 3.97Å; I2855-L2857 HydrophobicContact CG2-CG 3.92Å; L2857-I2859 HydrophobicContact CB-CD1 3.77Å; L2857-I2859 HydrophobicContact CB-CG1 4.13Å; L2857-L2863 HydrophobicContact CD1-CD2 3.92Å
2858	L	29.2	Very low	28.8	Very low	96.5 Å²	96.5	83.3 Å²	83.3	51%	0.505	40%	0.4	S	S	.	.			trans	-104.4	112.6	171.2	-126.7	161.7	0	0	0	108	F2809 Q2835 I2836	F2809-L2858 HydrophobicContact CD1-CB 4.42Å; F2809-L2858 HydrophobicContact CE1-CB 4.33Å; F2809-L2858 HydrophobicContact CE1-CD1 4.47Å; Q2835-L2858 HydrophobicContact CG-CB 3.87Å; I2836-L2858 VanDerWaalsContact O-O 3.08Å
2859	I	31.4	Very low	28.6	Very low	50.5 Å²	50.5	85.7 Å²	85.7	26%	0.259	42%	0.416	S	S	.	.			trans	-118	120.2	-168.9	-58.2	149.2	0	0	0	109.5	L2857 N2861 L2863 Y2893	L2857-I2859 HydrophobicContact CB-CD1 3.77Å; L2857-I2859 HydrophobicContact CB-CG1 4.13Å; I2859-N2861 VanDerWaalsContact C-N 3.3Å; I2859-N2861 VanDerWaalsContact CG2-O 3.29Å; I2859-N2861 WeakPolarHBondContact CG2-O 3.3Å; I2859-N2861 PolarHBondContact O-N 2.98Å; I2859-L2863 HydrophobicContact CB-CD1 4.45Å; I2859-L2863 HydrophobicContact CD1-CB 4.01Å; I2859-L2863 HydrophobicContact CD1-CD1 3.68Å; I2859-L2863 HydrophobicContact CD1-CD2 3.78Å; I2859-L2863 HydrophobicContact CD1-CG 4.08Å; I2859-L2863 HydrophobicContact CG1-CD1 4.06Å; I2859-L2863 HydrophobicContact CG2-CB 4.13Å; I2859-L2863 HydrophobicContact CG2-CD1 3.73Å; I2859-L2863 HydrophobicContact CG2-CG 4.46Å; I2859-Y2893 HydrophobicContact CD1-CE1 4.07Å
2860	D	27	Very low	28.3	Very low	75.5 Å²	75.5	88 Å²	88	40%	0.404	43%	0.432	S	S	.	.	S	Bend	trans	-87.1	59.6	178	-118.1	-41.1	0	0	0	111.2	K2811	K2811-D2860 HydrophobicContact CB-CB 4.32Å; K2811-D2860 HydrophobicContact CD-CB 4.29Å; K2811-D2860 VanDerWaalsContact CD-OD2 3.26Å; K2811-D2860 WeakPolarHBondContact CD-OD2 3.39Å; K2811-D2860 VanDerWaalsContact CE-CG 3.44Å; K2811-D2860 WeakPolarHBondContact CE-OD1 3.24Å; K2811-D2860 VanDerWaalsContact CE-OD2 3.24Å; K2811-D2860 WeakPolarHBondContact CE-OD2 3.31Å; K2811-D2860 HydrophobicContact CG-CB 4.12Å; K2811-D2860 VanDerWaalsContact NZ-CG 3.28Å; K2811-D2860 IonicContact NZ-OD1 2.62Å; K2811-D2860 PolarHBondContact NZ-OD1 3.47Å; K2811-D2860 VanDerWaalsContact NZ-OD1 3.1Å; K2811-D2860 IonicContact NZ-OD2 3.1Å; K2811-D2860 PolarHBondContact NZ-OD2 3.44Å
2861	N	30.3	Very low	28.2	Very low	80.5 Å²	80.5	90.6 Å²	90.6	43%	0.43	44%	0.44	S	S	.	.	S	Bend	trans	138.6	-168.5	-170.2	-71.1	-89.6	0	0	0	112.8	T2838 N2839 I2859 K2931	T2838-N2861 PolarHBondContact O-ND2 2.8Å; N2839-N2861 PolarHBondContact O-ND2 2.76Å; I2859-N2861 VanDerWaalsContact C-N 3.3Å; I2859-N2861 VanDerWaalsContact CG2-O 3.29Å; I2859-N2861 WeakPolarHBondContact CG2-O 3.3Å; I2859-N2861 PolarHBondContact O-N 2.98Å; N2861-K2931 WeakPolarHBondContact OD1-CE 3.37Å; N2861-K2931 PolarHBondContact OD1-NZ 3.2Å
2862	H	28	Very low	28.1	Very low	112 Å²	112	90.8 Å²	90.8	52%	0.519	44%	0.443	S	S	.	.			trans	-81.4	138.5	-166.3	-98.8	-72.2	0	0	0	113.8	H2841 T2843 K2928	H2841-H2862 WeakPolarHBondContact O-CB 3.08Å; T2843-H2862 VanDerWaalsContact CB-O 3.31Å; T2843-H2862 WeakPolarHBondContact CB-O 2.77Å; T2843-H2862 PolarHBondContact N-O 3.22Å; T2843-H2862 PolarHBondContact OG1-O 3.38Å; H2862-K2928 VanDerWaalsContact NE2-CG 3.3Å; H2862-K2928 WeakPolarHBondContact NE2-CG 3.37Å
2863	L	30.5	Very low	27.9	Very low	57 Å²	57	94 Å²	94	30%	0.298	47%	0.466	S	S	.	.			trans	-120.9	132.1	175.3	-148.4	120.2	0	0	0	110.4	T2843 L2857 I2859 L2865	T2843-L2863 HydrophobicContact CG2-CD1 4.14Å; L2857-L2863 HydrophobicContact CD1-CD2 3.92Å; I2859-L2863 HydrophobicContact CB-CD1 4.45Å; I2859-L2863 HydrophobicContact CD1-CB 4.01Å; I2859-L2863 HydrophobicContact CD1-CD1 3.68Å; I2859-L2863 HydrophobicContact CD1-CD2 3.78Å; I2859-L2863 HydrophobicContact CD1-CG 4.08Å; I2859-L2863 HydrophobicContact CG1-CD1 4.06Å; I2859-L2863 HydrophobicContact CG2-CB 4.13Å; I2859-L2863 HydrophobicContact CG2-CD1 3.73Å; I2859-L2863 HydrophobicContact CG2-CG 4.46Å; L2863-L2865 HydrophobicContact CD2-CD1 4Å; L2863-L2865 HydrophobicContact CD2-CD2 3.92Å; L2863-L2865 HydrophobicContact CD2-CG 3.73Å; L2863-L2865 HydrophobicContact CG-CG 4.46Å; L2863-L2865 PolarHBondContact O-N 2.82Å
2864	E	27.3	Very low	28	Very low	80.5 Å²	80.5	97.9 Å²	97.9	38%	0.376	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	110.3	168.4	-166.8	171	-110.4	0	0	107.7	K2815 T2843 Q2844 C2845 N2866 Q2926	K2815-E2864 WeakPolarHBondContact CE-OE2 3.41Å; K2815-E2864 IonicContact NZ-OE1 3.16Å; K2815-E2864 PolarHBondContact NZ-OE1 3.01Å; K2815-E2864 IonicContact NZ-OE2 2.91Å; K2815-E2864 PolarHBondContact NZ-OE2 3.41Å; T2843-E2864 PolarHBondContact O-N 3.15Å; Q2844-E2864 HydrophobicContact CG-CB 4.24Å; Q2844-E2864 HydrophobicContact CG-CG 4.36Å; Q2844-E2864 WeakPolarHBondContact CG-OE2 3.21Å; Q2844-E2864 PolarHBondContact NE2-OE2 2.75Å; C2845-E2864 PolarHBondContact N-O 2.85Å; E2864-N2866 PolarHBondContact O-N 2.79Å; E2864-Q2926 HydrophobicContact CG-CG 4.42Å; E2864-Q2926 PolarHBondContact OE1-NE2 3.09Å
2865	L	28.2	Very low	28	Very low	90 Å²	90	102.5 Å²	102.5	47%	0.471	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	110.2	-178.5	-77.5	161.6	0	0	0	110	C2845 F2847 L2863 Y2867 L2925	C2845-L2865 HydrophobicContact CB-CD2 4.28Å; F2847-L2865 HydrophobicContact CD2-CD2 3.89Å; F2847-L2865 HydrophobicContact CE2-CD2 3.63Å; L2863-L2865 HydrophobicContact CD2-CD1 4Å; L2863-L2865 HydrophobicContact CD2-CD2 3.92Å; L2863-L2865 HydrophobicContact CD2-CG 3.73Å; L2863-L2865 HydrophobicContact CG-CG 4.46Å; L2863-L2865 PolarHBondContact O-N 2.82Å; L2865-Y2867 PolarHBondContact O-N 3.13Å; L2865-L2925 PolarHBondContact N-O 2.96Å; L2865-L2925 PolarHBondContact O-N 2.77Å
2866	N	28.9	Very low	27.9	Very low	71 Å²	71	105.6 Å²	105.6	38%	0.38	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	96.1	171.5	-104.6	-51.8	0	0	0	108.9	C2845 K2846 E2864 N2868 I2924	C2845-N2866 PolarHBondContact O-N 3.27Å; K2846-N2866 WeakPolarHBondContact CA-O 3.3Å; K2846-N2866 HydrophobicContact CD-CB 4.45Å; K2846-N2866 HydrophobicContact CG-CB 3.52Å; E2864-N2866 PolarHBondContact O-N 2.79Å; N2866-N2868 PolarHBondContact O-N 3.36Å; N2866-I2924 WeakPolarHBondContact OD1-CD1 2.79Å; N2866-I2924 WeakPolarHBondContact OD1-CG1 3.11Å
2867	Y	26.8	Very low	27.8	Very low	141 Å²	141	107.2 Å²	107.2	55%	0.553	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	56.1	-177.2	-156.1	-95.6	0	0	0	112.3	L2865 L2869 T2923	L2865-Y2867 PolarHBondContact O-N 3.13Å; Y2867-L2869 HydrophobicContact CE1-CB 3.92Å; Y2867-L2869 HydrophobicContact CE1-CD1 4.15Å; Y2867-L2869 HydrophobicContact CE1-CG 3.95Å; Y2867-L2869 PolarHBondContact O-N 3.36Å; Y2867-T2923 CarbonylContact C-O 3.6Å; Y2867-T2923 WeakPolarHBondContact CA-O 3.24Å; Y2867-T2923 WeakPolarHBondContact CB-O 3.32Å; Y2867-T2923 PolarHBondContact N-O 2.65Å; Y2867-T2923 PolarHBondContact O-N 3.14Å
2868	N	27.2	Very low	27.6	Very low	72.5 Å²	72.5	111.6 Å²	111.6	39%	0.388	55%	0.547	S	S	.	.			trans	-101.7	47.7	-173.2	-75	-13.1	0	0	0	112.5	Y2848 N2866 I2870 K2922	Y2848-N2868 HydrophobicContact CD1-CB 3.91Å; Y2848-N2868 WeakPolarHBondContact CD1-O 3.45Å; Y2848-N2868 HydrophobicContact CE1-CB 3.34Å; Y2848-N2868 PolarHBondContact OH-ND2 3.48Å; N2866-N2868 PolarHBondContact O-N 3.36Å; N2868-I2870 PolarHBondContact O-N 3.35Å; N2868-I2870 VanDerWaalsContact O-N 3.11Å; N2868-K2922 WeakPolarHBondContact OD1-CG 3.15Å
2869	L	27.4	Very low	27.4	Very low	102 Å²	102	116.1 Å²	116.1	53%	0.534	56%	0.558	S	S	.	*			trans	-93.6	34.7	-175.5	-121.2	165.4	0	0	0	112.6	Y2867 Y2871	Y2867-L2869 HydrophobicContact CE1-CB 3.92Å; Y2867-L2869 HydrophobicContact CE1-CD1 4.15Å; Y2867-L2869 HydrophobicContact CE1-CG 3.95Å; Y2867-L2869 PolarHBondContact O-N 3.36Å; L2869-Y2871 HydrophobicContact CD2-CD2 4.31Å; L2869-Y2871 HydrophobicContact CD2-CE2 4.27Å; L2869-Y2871 PolarHBondContact O-N 2.77Å; L2869-Y2871 VanDerWaalsContact O-N 3.15Å
2870	I	27.4	Very low	27.1	Very low	114.5 Å²	114.5	120.6 Å²	120.6	59%	0.587	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	43.1	177.5	-62.7	178.3	0	0	0	110.7	Y2848 N2868 Q2872 Y2874	Y2848-I2870 HydrophobicContact CD1-CD1 3.59Å; Y2848-I2870 HydrophobicContact CD1-CG1 3.86Å; Y2848-I2870 HydrophobicContact CE1-CD1 3.33Å; Y2848-I2870 HydrophobicContact CE1-CG1 3.79Å; N2868-I2870 PolarHBondContact O-N 3.35Å; N2868-I2870 VanDerWaalsContact O-N 3.11Å; I2870-Q2872 VanDerWaalsContact C-N 3.33Å; I2870-Q2872 PolarHBondContact O-N 2.81Å; I2870-Y2874 HydrophobicContact CG2-CE2 4.44Å
2871	Y	26	Very low	27	Very low	178.5 Å²	178.5	123.9 Å²	123.9	70%	0.7	59%	0.594	S	S	*	*	S	Bend	trans	-71.6	50.5	168.7	-110.8	-95.3	0	0	0	112	L2869 N2873	L2869-Y2871 HydrophobicContact CD2-CD2 4.31Å; L2869-Y2871 HydrophobicContact CD2-CE2 4.27Å; L2869-Y2871 PolarHBondContact O-N 2.77Å; L2869-Y2871 VanDerWaalsContact O-N 3.15Å; Y2871-N2873 PolarHBondContact O-N 3.43Å
2872	Q	27.2	Very low	26.7	Very low	122.5 Å²	122.5	128.8 Å²	128.8	57%	0.572	61%	0.612	S	S	*	*	S	Bend	trans	-89.5	38.8	175.6	-73.6	-167	-42.8	0	0	112.5	Y2823 I2870 Y2874	Y2823-Q2872 PolarHBondContact OH-OE1 3.32Å; I2870-Q2872 VanDerWaalsContact C-N 3.33Å; I2870-Q2872 PolarHBondContact O-N 2.81Å; Q2872-Y2874 VanDerWaalsContact C-N 3.26Å; Q2872-Y2874 HydrophobicContact CB-CD2 4.14Å; Q2872-Y2874 HydrophobicContact CB-CE2 4.36Å; Q2872-Y2874 PolarHBondContact O-N 3.12Å
2873	N	25.6	Very low	26.6	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	62%	0.622	S	S	*	*	S	Bend	trans	-83.1	44.4	170.5	-79.1	-16.5	0	0	0	111.8	Y2871 N2875	Y2871-N2873 PolarHBondContact O-N 3.43Å; N2873-N2875 PolarHBondContact O-N 3.47Å
2874	Y	26.2	Very low	26.2	Very low	188 Å²	188	135.6 Å²	135.6	74%	0.737	64%	0.639	S	S	*	*			trans	-81.6	72.7	163.8	-96.4	-88.1	0	0	0	111.3	I2870 Q2872 N2876	I2870-Y2874 HydrophobicContact CG2-CE2 4.44Å; Q2872-Y2874 VanDerWaalsContact C-N 3.26Å; Q2872-Y2874 HydrophobicContact CB-CD2 4.14Å; Q2872-Y2874 HydrophobicContact CB-CE2 4.36Å; Q2872-Y2874 PolarHBondContact O-N 3.12Å; Y2874-N2876 PolarHBondContact O-N 2.9Å
2875	N	27.1	Very low	26.2	Very low	137.5 Å²	137.5	142.1 Å²	142.1	74%	0.735	66%	0.662	S	S	*	*	S	Bend	trans	-80.8	68	-163.6	-82	-8.4	0	0	0	116.5	N2873	N2873-N2875 PolarHBondContact O-N 3.47Å
2876	N	26.8	Very low	26	Very low	145 Å²	145	146.9 Å²	146.9	78%	0.775	68%	0.675	S	S	*	*	S	Bend	trans	150.9	111.9	166.8	-65.2	-22.4	0	0	0	115.8	Y2874	Y2874-N2876 PolarHBondContact O-N 2.9Å
2877	N	27.1	Very low	25.9	Very low	133 Å²	133	148.5 Å²	148.5	71%	0.711	68%	0.684	S	S	*	*			trans	62.4	122.5	152.8	-64.9	-28.6	0	0	0	118.4	Y2879	N2877-Y2879 HydrophobicContact CB-CD2 3.89Å; N2877-Y2879 HydrophobicContact CB-CE2 3.58Å; N2877-Y2879 PolarHBondContact O-N 2.92Å; N2877-Y2879 VanDerWaalsContact O-N 3.16Å
2878	I	24.3	Very low	25.8	Very low	148 Å²	148	148.5 Å²	148.5	76%	0.759	69%	0.692	S	S	*	*			trans	-157.7	95.4	155.7	-59.4	158.5	0	0	0	113
2879	Y	24.3	Very low	25.7	Very low	190 Å²	190	151.5 Å²	151.5	75%	0.745	70%	0.702	S	S	*	*			trans	-29.4	123.6	143.5	-74.6	-79.8	0	0	0	117.3	N2877 I2881	N2877-Y2879 HydrophobicContact CB-CD2 3.89Å; N2877-Y2879 HydrophobicContact CB-CE2 3.58Å; N2877-Y2879 PolarHBondContact O-N 2.92Å; N2877-Y2879 VanDerWaalsContact O-N 3.16Å; Y2879-I2881 PolarHBondContact O-N 3Å
2880	H	24.9	Very low	25.5	Very low	146.5 Å²	146.5	154.4 Å²	154.4	68%	0.678	71%	0.713	S	S	*	*			trans	7.3	102.7	163.3	-65.1	-59.1	0	0	0	115.5	K2882 L2951	H2880-K2882 PolarHBondContact O-N 2.9Å; H2880-K2882 VanDerWaalsContact O-N 3.12Å; H2880-L2951 HydrophobicContact CB-CD2 4.46Å; H2880-L2951 VanDerWaalsContact CE1-CD1 3.48Å; H2880-L2951 WeakPolarHBondContact CE1-CD1 3.14Å; H2880-L2951 VanDerWaalsContact ND1-CD2 3.32Å; H2880-L2951 WeakPolarHBondContact ND1-CD2 3.42Å
2881	I	25.9	Very low	25.5	Very low	143 Å²	143	152.6 Å²	152.6	73%	0.733	71%	0.707	S	S	*	*			trans	-124.6	124	140.9	-61.6	165.6	0	0	0	109.2	Y2879 Y2883	Y2879-I2881 PolarHBondContact O-N 3Å; I2881-Y2883 HydrophobicContact CB-CD2 4.16Å; I2881-Y2883 HydrophobicContact CB-CE2 3.86Å; I2881-Y2883 HydrophobicContact CD1-CE2 4.3Å; I2881-Y2883 HydrophobicContact CG2-CD2 3.76Å; I2881-Y2883 HydrophobicContact CG2-CE1 4.29Å; I2881-Y2883 HydrophobicContact CG2-CE2 3.29Å; I2881-Y2883 HydrophobicContact CG2-CG 4.43Å; I2881-Y2883 PolarHBondContact O-N 3.07Å
2882	K	23	Very low	25.4	Very low	185 Å²	185	149.6 Å²	149.6	80%	0.804	70%	0.702	S	S	*	*			trans	-68.7	133.7	-178.8	-74.2	179.7	171.7	179.9	0	112.8	H2880	H2880-K2882 PolarHBondContact O-N 2.9Å; H2880-K2882 VanDerWaalsContact O-N 3.12Å
2883	Y	25.6	Very low	25.3	Very low	186.5 Å²	186.5	151 Å²	151	73%	0.731	70%	0.703	S	S	*	*			trans	146	126	147	-79.8	-74.9	0	0	0	117.5	I2881	I2881-Y2883 HydrophobicContact CB-CD2 4.16Å; I2881-Y2883 HydrophobicContact CB-CE2 3.86Å; I2881-Y2883 HydrophobicContact CD1-CE2 4.3Å; I2881-Y2883 HydrophobicContact CG2-CD2 3.76Å; I2881-Y2883 HydrophobicContact CG2-CE1 4.29Å; I2881-Y2883 HydrophobicContact CG2-CE2 3.29Å; I2881-Y2883 HydrophobicContact CG2-CG 4.43Å; I2881-Y2883 PolarHBondContact O-N 3.07Å
2884	D	23.7	Very low	25.3	Very low	124.5 Å²	124.5	151.9 Å²	151.9	67%	0.666	70%	0.702	S	S	*	*			trans	8.2	137.8	158.5	-52.8	-51	0	0	0	115.5
2885	Y	25.7	Very low	25.2	Very low	217 Å²	217	149.3 Å²	149.3	85%	0.851	70%	0.701	S	S	*	*			trans	141.4	128.6	140.7	-83.2	-83	0	0	0	113.5
2886	Y	24.1	Very low	25.2	Very low	190.5 Å²	190.5	151.7 Å²	151.7	75%	0.747	71%	0.707	S	S	*	*			trans	-95.8	111.7	-174.2	-81.8	-101.9	0	0	0	110.4	F2889	Y2886-F2889 HydrophobicContact CE1-CD2 4.27Å
2887	D	26.6	Very low	25.1	Very low	105.5 Å²	105.5	150.6 Å²	150.6	56%	0.564	70%	0.701	S	S	*	*			trans	-126.5	107.1	161.9	-86.6	-28.2	0	0	0	110.6	N2853 F2889	N2853-D2887 PolarHBondContact ND2-OD1 3.33Å; D2887-F2889 HydrophobicContact CB-CE2 4.29Å; D2887-F2889 PolarHBondContact O-N 2.89Å
2888	I	24.9	Very low	25	Very low	141.5 Å²	141.5	151.8 Å²	151.8	73%	0.726	70%	0.702	S	S	*	*			trans	2.1	105.7	167.9	-54.4	176	0	0	0	114.4	Q2890	I2888-Q2890 PolarHBondContact O-N 3.34Å
2889	F	25	Very low	25.1	Very low	135 Å²	135	151.2 Å²	151.2	59%	0.592	70%	0.701	S	S	*	*			trans	-102.9	114.5	177.2	-112.6	-80.9	0	0	0	108.6	W2852 I2855 Y2886 D2887 V2891	W2852-F2889 WeakPolarHBondContact O-CZ 3.46Å; I2855-F2889 HydrophobicContact CD1-CE1 4.21Å; I2855-F2889 HydrophobicContact CG1-CE1 4.17Å; Y2886-F2889 HydrophobicContact CE1-CD2 4.27Å; D2887-F2889 HydrophobicContact CB-CE2 4.29Å; D2887-F2889 PolarHBondContact O-N 2.89Å; F2889-V2891 HydrophobicContact CD1-CG2 3.43Å; F2889-V2891 VanDerWaalsContact CD1-CG2 3.43Å; F2889-V2891 HydrophobicContact CE1-CG2 3.69Å; F2889-V2891 PolarHBondContact O-N 3.17Å
2890	Q	24.6	Very low	25.1	Very low	162 Å²	162	150.3 Å²	150.3	76%	0.757	70%	0.696	S	S	*	*			trans	-128.1	99.1	162.1	-134.2	178.4	18.3	0	0	108.8	I2888 I2892	I2888-Q2890 PolarHBondContact O-N 3.34Å; Q2890-I2892 HydrophobicContact CG-CD1 4.44Å; Q2890-I2892 HydrophobicContact CG-CG1 4.04Å; Q2890-I2892 PolarHBondContact O-N 3.03Å
2891	V	26.6	Very low	25.1	Very low	78 Å²	78	149.4 Å²	149.4	47%	0.473	70%	0.696	S	S	.	*				-17.1	100.7	123.7	-168.4	0	0	0	0	109.7	F2889 Y2893 L2937	F2889-V2891 HydrophobicContact CD1-CG2 3.43Å; F2889-V2891 VanDerWaalsContact CD1-CG2 3.43Å; F2889-V2891 HydrophobicContact CE1-CG2 3.69Å; F2889-V2891 PolarHBondContact O-N 3.17Å; V2891-Y2893 HydrophobicContact CG1-CD2 3.92Å; V2891-Y2893 HydrophobicContact CG1-CE2 3.52Å; V2891-Y2893 PolarHBondContact O-N 3.24Å; V2891-L2937 HydrophobicContact CB-CD1 4.08Å; V2891-L2937 HydrophobicContact CG1-CD1 4.39Å
2892	I	23.6	Very low	25	Very low	115.5 Å²	115.5	150.2 Å²	150.2	59%	0.592	70%	0.699	S	S	*	*				-124.7	128.3	128.2	-64.9	174.7	0	0	0	108.1	Q2890 Q2894	Q2890-I2892 HydrophobicContact CG-CD1 4.44Å; Q2890-I2892 HydrophobicContact CG-CG1 4.04Å; Q2890-I2892 PolarHBondContact O-N 3.03Å; I2892-Q2894 HydrophobicContact CG2-CB 4.35Å; I2892-Q2894 HydrophobicContact CG2-CG 4.19Å
2893	Y	26.6	Very low	25	Very low	151 Å²	151	146.9 Å²	146.9	59%	0.592	69%	0.694	S	S	*	*				-176.2	87.4	87.9	-113.6	-95.8	0	0	0	114.7	I2859 V2891 I2929 L2937	I2859-Y2893 HydrophobicContact CD1-CE1 4.07Å; V2891-Y2893 HydrophobicContact CG1-CD2 3.92Å; V2891-Y2893 HydrophobicContact CG1-CE2 3.52Å; V2891-Y2893 PolarHBondContact O-N 3.24Å; Y2893-I2929 HydrophobicContact CE1-CD1 4.24Å; Y2893-L2937 HydrophobicContact CD2-CD1 3.94Å; Y2893-L2937 HydrophobicContact CE2-CD1 3.99Å
2894	Q	23.7	Very low	25	Very low	166.5 Å²	166.5	143.2 Å²	143.2	78%	0.778	69%	0.691	S	S	*	*			trans	-138.6	122.7	169.7	-116.9	178.8	-0.8	0	0	110.7	I2892	I2892-Q2894 HydrophobicContact CG2-CB 4.35Å; I2892-Q2894 HydrophobicContact CG2-CG 4.19Å
2895	L	26.1	Very low	25	Very low	134 Å²	134	144.5 Å²	144.5	70%	0.702	70%	0.698	S	S	*	*			trans	169.5	100.8	-179.5	-64.2	168.7	0	0	0	112.1	N2897	L2895-N2897 HydrophobicContact CD2-CB 4.33Å
2896	H	25.4	Very low	25	Very low	188 Å²	188	141.8 Å²	141.8	87%	0.87	70%	0.698	S	S	*	*				-36.1	94.3	97.2	-111.3	-64.3	0	0	0	112.3
2897	N	25.2	Very low	25	Very low	121 Å²	121	135.4 Å²	135.4	65%	0.647	69%	0.69	S	S	*	*			trans	-140.4	126.3	155.9	-109.6	-5.2	0	0	0	107.8	L2895	L2895-N2897 HydrophobicContact CD2-CB 4.33Å
2898	Q	24.5	Very low	25.1	Very low	158.5 Å²	158.5	138.4 Å²	138.4	74%	0.741	71%	0.706	S	S	*	*			trans	148.1	126.6	136.1	-66.1	175.9	-25.5	0	0	107.2
2899	D	27	Very low	25.1	Very low	136 Å²	136	139.3 Å²	139.3	73%	0.727	71%	0.712	S	S	*	*				142.4	102.1	117.1	-75.1	-38	0	0	0	113.8
2900	R	24.7	Very low	25.1	Very low	170 Å²	170	140.1 Å²	140.1	64%	0.642	72%	0.721	S	S	*	*			trans	-24.4	132.9	132.4	-52.7	177.7	-169.9	166.8	2.1	113.1
2901	N	24.9	Very low	25.1	Very low	129 Å²	129	135.6 Å²	135.6	69%	0.69	71%	0.712	S	S	*	*			trans	137.7	140.5	148.4	-78.4	-28.6	0	0	0	111.8
2902	M	23.1	Very low	25	Very low	158.5 Å²	158.5	137.8 Å²	137.8	78%	0.781	72%	0.719	S	S	*	*	S	Bend		119.8	138.1	85.4	-92.8	178.8	65.5	0	0	111.3
2903	V	23.6	Very low	25.1	Very low	115.5 Å²	115.5	140.5 Å²	140.5	70%	0.7	73%	0.727	S	S	*	*			trans	69.5	97.6	144.8	-175.6	0	0	0	0	116.8
2904	V	25.2	Very low	25	Very low	110.5 Å²	110.5	138 Å²	138	67%	0.67	73%	0.731	S	S	*	*			trans	-34.6	125.8	137.9	-179.7	0	0	0	0	111.7
2905	N	25.1	Very low	25.1	Very low	151.5 Å²	151.5	135.4 Å²	135.4	81%	0.81	73%	0.727	S	S	*	*			trans	-142.1	133.2	150.8	-130.9	-5.4	0	0	0	110	G2907	N2905-G2907 PolarHBondContact O-N 3.08Å
2906	N	24.6	Very low	25	Very low	159 Å²	159	136.6 Å²	136.6	85%	0.85	73%	0.732	S	S	*	*			trans	-70.5	129.4	-176.2	-68.6	-33.3	0	0	0	111.6
2907	G	24.7	Very low	25	Very low	57.5 Å²	57.5	130.6 Å²	130.6	59%	0.593	72%	0.722	S	S	*	*			trans	151.4	129.3	176.9	0	0	0	0	0	110.6	N2905	N2905-G2907 PolarHBondContact O-N 3.08Å
2908	D	27.3	Very low	24.9	Very low	168.5 Å²	168.5	130.1 Å²	130.1	90%	0.901	73%	0.727	S	S	*	*				140.6	103.1	113.4	-63.3	-30.1	0	0	0	115.4
2909	L	25.4	Very low	25	Very low	160.5 Å²	160.5	129.1 Å²	129.1	84%	0.84	73%	0.727	S	S	*	*			trans	-67.5	148	166.5	-84.8	96	0	0	0	111.9	A2911	L2909-A2911 HydrophobicContact CD2-CB 4.21Å
2910	L	25.4	Very low	24.9	Very low	152 Å²	152	130.5 Å²	130.5	80%	0.796	73%	0.73	S	S	*	*			trans	-65.8	111.1	157.9	-97.4	124.2	0	0	0	112.6	I2912	L2910-I2912 HydrophobicContact CD2-CD1 4.21Å; L2910-I2912 HydrophobicContact CD2-CG1 3.93Å; L2910-I2912 PolarHBondContact O-N 2.93Å
2911	A	24	Very low	25	Very low	67 Å²	67	129.1 Å²	129.1	55%	0.554	73%	0.73	S	S	*	*			trans	-105.4	107.6	161.8	0	0	0	0	0	109.5	L2909 K2913 K2928	L2909-A2911 HydrophobicContact CD2-CB 4.21Å; A2911-K2913 PolarHBondContact O-N 3.05Å; A2911-K2928 WeakPolarHBondContact O-CD 3.21Å
2912	I	25.8	Very low	25	Very low	123.5 Å²	123.5	130.3 Å²	130.3	63%	0.633	73%	0.729	S	S	*	*			trans	-103.3	112.2	167.1	-60.9	176.6	0	0	0	107.3	L2910 K2928	L2910-I2912 HydrophobicContact CD2-CD1 4.21Å; L2910-I2912 HydrophobicContact CD2-CG1 3.93Å; L2910-I2912 PolarHBondContact O-N 2.93Å; I2912-K2928 HydrophobicContact CG1-CB 4.1Å
2913	K	24.3	Very low	25.1	Very low	172 Å²	172	128.4 Å²	128.4	75%	0.748	73%	0.726	S	S	*	*			trans	-99.7	106.5	167.5	-85.2	-175.7	173.2	179.5	0	109.5	A2911 V2915 Q2926	A2911-K2913 PolarHBondContact O-N 3.05Å; K2913-V2915 HydrophobicContact CB-CG2 4.22Å; K2913-V2915 PolarHBondContact O-N 2.98Å; K2913-Q2926 PolarHBondContact O-OE1 2.67Å
2914	S	24.9	Very low	25.1	Very low	98.5 Å²	98.5	128.5 Å²	128.5	69%	0.689	72%	0.722	S	S	*	*			trans	-79.6	112.7	157.8	54.6	0	0	0	0	109.1
2915	V	25.4	Very low	25.2	Very low	112.5 Å²	112.5	129.3 Å²	129.3	68%	0.682	72%	0.721	S	S	*	*			trans	-92.4	116.7	174.4	177.1	0	0	0	0	108.6	K2913 G2917	K2913-V2915 HydrophobicContact CB-CG2 4.22Å; K2913-V2915 PolarHBondContact O-N 2.98Å; V2915-G2917 PolarHBondContact O-N 2.95Å; V2915-G2917 VanDerWaalsContact O-N 3.15Å
2916	I	24.5	Very low	25.2	Very low	159 Å²	159	127.9 Å²	127.9	82%	0.815	71%	0.71	S	S	*	*			trans	-70.1	107.1	169.7	-61.5	171.3	0	0	0	107.6
2917	G	24.9	Very low	25.4	Very low	63 Å²	63	123.8 Å²	123.8	65%	0.649	69%	0.691	S	S	*	*			trans	-111.2	118.2	173.1	0	0	0	0	0	109.8	V2915 D2919	V2915-G2917 PolarHBondContact O-N 2.95Å; V2915-G2917 VanDerWaalsContact O-N 3.15Å; G2917-D2919 VanDerWaalsContact C-N 3.34Å; G2917-D2919 PolarHBondContact O-N 3.24Å
2918	S	23.2	Very low	25.4	Very low	109.5 Å²	109.5	128.4 Å²	128.4	77%	0.766	69%	0.694	S	S	*	*			trans	-70.6	112.6	176.5	51.7	0	0	0	0	112
2919	D	26.2	Very low	25.5	Very low	138.5 Å²	138.5	124.6 Å²	124.6	74%	0.741	67%	0.673	S	S	*	*	S	Bend	trans	143	127.5	160.5	-71.3	-35.3	0	0	0	113.4	G2917 K2922	G2917-D2919 VanDerWaalsContact C-N 3.34Å; G2917-D2919 PolarHBondContact O-N 3.24Å; D2919-K2922 PolarHBondContact O-NZ 3.03Å; D2919-K2922 VanDerWaalsContact O-NZ 3.07Å
2920	E	25.2	Very low	25.6	Very low	165.5 Å²	165.5	122.3 Å²	122.3	77%	0.773	67%	0.666	S	S	*	*	S	Bend	trans	5.8	126.7	174.8	-60.1	-179.7	160.3	0	0	118.9	K2922	E2920-K2922 PolarHBondContact O-NZ 3.46Å
2921	H	27	Very low	25.6	Very low	139 Å²	139	123.4 Å²	123.4	64%	0.644	66%	0.664	S	S	*	*	S	Bend	trans	63.1	83.2	152.4	-57.3	-65	0	0	0	120.9
2922	K	24.7	Very low	25.7	Very low	155.5 Å²	155.5	126.1 Å²	126.1	68%	0.676	67%	0.67	S	S	*	*			trans	153.6	131.7	165.4	-55.9	179.8	-171.6	119.3	0	115.9	N2868 D2919 E2920	N2868-K2922 WeakPolarHBondContact OD1-CG 3.15Å; D2919-K2922 PolarHBondContact O-NZ 3.03Å; D2919-K2922 VanDerWaalsContact O-NZ 3.07Å; E2920-K2922 PolarHBondContact O-NZ 3.46Å
2923	T	25.3	Very low	25.8	Very low	117.5 Å²	117.5	129.5 Å²	129.5	72%	0.721	68%	0.676	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-144.5	126.1	161.3	-34.5	0	0	0	0	110.9	Y2867	Y2867-T2923 CarbonylContact C-O 3.6Å; Y2867-T2923 WeakPolarHBondContact CA-O 3.24Å; Y2867-T2923 WeakPolarHBondContact CB-O 3.32Å; Y2867-T2923 PolarHBondContact N-O 2.65Å; Y2867-T2923 PolarHBondContact O-N 3.14Å
2924	I	23.9	Very low	25.8	Very low	118 Å²	118	125.3 Å²	125.3	61%	0.605	68%	0.682	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.6	135.2	-176.2	-61.4	170	0	0	0	108.6	N2866	N2866-I2924 WeakPolarHBondContact OD1-CD1 2.79Å; N2866-I2924 WeakPolarHBondContact OD1-CG1 3.11Å
2925	L	26.7	Very low	25.8	Very low	127 Å²	127	124.7 Å²	124.7	67%	0.665	68%	0.682	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127.4	102.6	177	-133.3	160.4	0	0	0	110.6	L2865 V2927	L2865-L2925 PolarHBondContact N-O 2.96Å; L2865-L2925 PolarHBondContact O-N 2.77Å; L2925-V2927 HydrophobicContact CD2-CG2 3.6Å; L2925-V2927 PolarHBondContact O-N 3.47Å
2926	Q	24.9	Very low	25.8	Very low	122.5 Å²	122.5	127.4 Å²	127.4	57%	0.572	69%	0.69	S	S	*	*			trans	-89.7	115.8	-179	-173.1	-177.1	49.2	0	0	109.3	E2864 K2913	E2864-Q2926 HydrophobicContact CG-CG 4.42Å; E2864-Q2926 PolarHBondContact OE1-NE2 3.09Å; K2913-Q2926 PolarHBondContact O-OE1 2.67Å
2927	V	29.2	Very low	25.8	Very low	73.5 Å²	73.5	125.1 Å²	125.1	45%	0.445	68%	0.678	S	S	.	*			trans	-110	123.3	175.2	-168.5	0	0	0	0	110.2	L2925 I2929 L2937	L2925-V2927 HydrophobicContact CD2-CG2 3.6Å; L2925-V2927 PolarHBondContact O-N 3.47Å; V2927-I2929 HydrophobicContact CG1-CD1 4.13Å; V2927-I2929 HydrophobicContact CG1-CG1 3.8Å; V2927-L2937 HydrophobicContact CB-CD1 3.94Å; V2927-L2937 HydrophobicContact CG1-CD1 3.98Å; V2927-L2937 HydrophobicContact CG2-CD1 3.89Å; V2927-L2937 HydrophobicContact CG2-CD2 4.24Å
2928	K	25.6	Very low	25.8	Very low	152.5 Å²	152.5	128.7 Å²	128.7	66%	0.663	68%	0.678	S	S	*	*			trans	-106.1	102.1	179.2	-162.3	-176.3	-174.8	-178.7	0	109.3	H2862 A2911 I2912	H2862-K2928 VanDerWaalsContact NE2-CG 3.3Å; H2862-K2928 WeakPolarHBondContact NE2-CG 3.37Å; A2911-K2928 WeakPolarHBondContact O-CD 3.21Å; I2912-K2928 HydrophobicContact CG1-CB 4.1Å
2929	I	29.4	Very low	25.9	Very low	90.5 Å²	90.5	128.9 Å²	128.9	46%	0.464	68%	0.675	S	S	.	*			trans	-107.7	119.4	177.6	-51.5	-176.5	0	0	0	109.4	Y2893 V2927 A2935 L2937	Y2893-I2929 HydrophobicContact CE1-CD1 4.24Å; V2927-I2929 HydrophobicContact CG1-CD1 4.13Å; V2927-I2929 HydrophobicContact CG1-CG1 3.8Å; I2929-A2935 HydrophobicContact CD1-CB 4.14Å; I2929-L2937 HydrophobicContact CD1-CD1 3.85Å
2930	T	27.2	Very low	25.8	Very low	111.5 Å²	111.5	126.7 Å²	126.7	68%	0.684	67%	0.666	S	S	*	*			trans	-78.6	153.7	175.7	40.1	0	0	0	0	111.6	N2932	T2930-N2932 PolarHBondContact O-N 2.68Å
2931	K	26.1	Very low	25.7	Very low	174 Å²	174	122.7 Å²	122.7	76%	0.757	66%	0.657	S	S	*	*	S	Bend	trans	-56.7	71.9	-172.6	-87	-179.6	176.2	177.1	0	115.4	N2861	N2861-K2931 WeakPolarHBondContact OD1-CE 3.37Å; N2861-K2931 PolarHBondContact OD1-NZ 3.2Å
2932	N	26.3	Very low	25.6	Very low	125.5 Å²	125.5	123.3 Å²	123.3	67%	0.671	66%	0.659	S	S	*	*	S	Bend	trans	170.4	76.8	169.2	-62.4	-6.8	0	0	0	115.1	T2930	T2930-N2932 PolarHBondContact O-N 2.68Å
2933	Y	27.1	Very low	25.7	Very low	193 Å²	193	124.1 Å²	124.1	76%	0.757	67%	0.666	S	S	*	*			trans	146	124	175.2	-59.2	-77.5	0	0	0	113.5	A2935	Y2933-A2935 PolarHBondContact O-N 3.26Å
2934	G	24	Very low	25.8	Very low	85 Å²	85	125.8 Å²	125.8	88%	0.876	67%	0.665	S	S	*	*			trans	-76.6	116.9	170.5	0	0	0	0	0	110.3
2935	A	25.4	Very low	25.9	Very low	85 Å²	85	125.2 Å²	125.2	70%	0.702	67%	0.672	S	S	*	*			trans	-112.8	131.3	174.5	0	0	0	0	0	110.2	I2929 Y2933 L2937	I2929-A2935 HydrophobicContact CD1-CB 4.14Å; Y2933-A2935 PolarHBondContact O-N 3.26Å; A2935-L2937 PolarHBondContact O-N 2.98Å
2936	M	24.5	Very low	25.8	Very low	170.5 Å²	170.5	126.5 Å²	126.5	84%	0.84	68%	0.678	S	S	*	*			trans	-75.2	124.7	171.6	-116.9	167.8	64.8	0	0	109.8	Q2938	M2936-Q2938 PolarHBondContact O-N 3.25Å; M2936-Q2938 VanDerWaalsContact O-N 3.12Å
2937	L	25.5	Very low	25.8	Very low	110 Å²	110	127 Å²	127	58%	0.576	68%	0.684	S	S	*	*			trans	-79.3	102.8	167	-100.2	159	0	0	0	109.2	V2891 Y2893 V2927 I2929 A2935	V2891-L2937 HydrophobicContact CB-CD1 4.08Å; V2891-L2937 HydrophobicContact CG1-CD1 4.39Å; Y2893-L2937 HydrophobicContact CD2-CD1 3.94Å; Y2893-L2937 HydrophobicContact CE2-CD1 3.99Å; V2927-L2937 HydrophobicContact CB-CD1 3.94Å; V2927-L2937 HydrophobicContact CG1-CD1 3.98Å; V2927-L2937 HydrophobicContact CG2-CD1 3.89Å; V2927-L2937 HydrophobicContact CG2-CD2 4.24Å; I2929-L2937 HydrophobicContact CD1-CD1 3.85Å; A2935-L2937 PolarHBondContact O-N 2.98Å
2938	Q	24.1	Very low	25.6	Very low	139 Å²	139	132.3 Å²	132.3	65%	0.65	70%	0.704	S	S	*	*			trans	-97.2	117.2	168.7	-173.3	172.3	-9.4	0	0	109.2	M2936 T2940	M2936-Q2938 PolarHBondContact O-N 3.25Å; M2936-Q2938 VanDerWaalsContact O-N 3.12Å; Q2938-T2940 HydrophobicContact CG-CG2 4.15Å
2939	V	24.9	Very low	25.6	Very low	113.5 Å²	113.5	129.9 Å²	129.9	69%	0.688	71%	0.706	S	S	*	*			trans	-104.2	113.1	177.6	178.9	0	0	0	0	107.8	D2960	V2939-D2960 HydrophobicContact CG1-CB 3.64Å; V2939-D2960 VanDerWaalsContact CG1-OD1 3.31Å; V2939-D2960 WeakPolarHBondContact CG1-OD1 3.19Å
2940	T	24	Very low	25.3	Very low	91.5 Å²	91.5	132.8 Å²	132.8	56%	0.561	72%	0.723	S	S	*	*			trans	-120.6	118	178.9	46	0	0	0	0	110.4	Q2938 H2942 D2960 S2962	Q2938-T2940 HydrophobicContact CG-CG2 4.15Å; T2940-H2942 PolarHBondContact O-N 3.33Å; T2940-D2960 PolarHBondContact N-OD1 3.07Å; T2940-S2962 VanDerWaalsContact O-CB 3.26Å; T2940-S2962 WeakPolarHBondContact O-CB 3.14Å; T2940-S2962 PolarHBondContact O-OG 3.06Å
2941	S	24.7	Very low	25.3	Very low	82 Å²	82	133.1 Å²	133.1	57%	0.573	72%	0.72	S	S	*	*			trans	-104.9	131.4	-176.3	68	0	0	0	0	113.2	H2943 I2959 S2962	S2941-H2943 PolarHBondContact O-N 2.97Å; S2941-I2959 WeakPolarHBondContact CB-O 3.49Å; S2941-I2959 PolarHBondContact OG-O 3.45Å; S2941-S2962 VanDerWaalsContact C-OG 3.23Å; S2941-S2962 WeakPolarHBondContact CA-OG 3.37Å; S2941-S2962 PolarHBondContact N-OG 3.14Å
2942	H	25	Very low	25.2	Very low	151.5 Å²	151.5	132.4 Å²	132.4	70%	0.701	72%	0.724	S	S	*	*	B	Isolated β-bridge	trans	-122.6	114.9	169.5	-84.6	-41.6	0	0	0	109.7	T2940 H2961 S2962 N2963	T2940-H2942 PolarHBondContact O-N 3.33Å; H2942-H2961 CarbonylContact C-O 3.39Å; H2942-H2961 PolarHBondContact N-O 3.01Å; H2942-S2962 PolarHBondContact N-OG 2.67Å; H2942-S2962 CarbonylContact O-C 3.58Å; H2942-S2962 WeakPolarHBondContact O-CA 3.41Å; H2942-N2963 HydrophobicContact CB-CB 4.09Å; H2942-N2963 VanDerWaalsContact CB-ND2 3.34Å; H2942-N2963 WeakPolarHBondContact CB-ND2 3.35Å; H2942-N2963 WeakPolarHBondContact CB-OD1 3.49Å; H2942-N2963 PolarHBondContact O-N 2.97Å; H2942-N2963 PolarHBondContact O-OD1 3.23Å
2943	H	26.8	Very low	25.1	Very low	173.5 Å²	173.5	129.7 Å²	129.7	80%	0.803	73%	0.726	S	S	*	*			trans	-120.9	134.7	159.8	-99.1	-75.9	0	0	0	111.3	S2941	S2941-H2943 PolarHBondContact O-N 2.97Å
2944	Q	26.3	Very low	25	Very low	151.5 Å²	151.5	129.9 Å²	129.9	71%	0.708	73%	0.725	S	S	*	*			trans	-98.5	131.4	155.4	-71.4	179.5	-18.3	0	0	109.2	H2966	Q2944-H2966 PolarHBondContact NE2-CD2 3.45Å; Q2944-H2966 PolarHBondContact NE2-NE2 3.28Å
2945	S	26.4	Very low	25	Very low	107 Å²	107	132.6 Å²	132.6	75%	0.748	72%	0.719	S	S	*	*			trans	-139	126.2	174.4	60	0	0	0	0	110.4
2946	I	24.7	Very low	25	Very low	153.5 Å²	153.5	133.1 Å²	133.1	79%	0.787	71%	0.709	S	S	*	*			trans	-106.6	113	179.7	-62.2	167.8	0	0	0	109.2
2947	N	25.5	Very low	25.1	Very low	134 Å²	134	129.5 Å²	129.5	72%	0.717	70%	0.696	S	S	*	*	S	Bend	trans	117.6	137.5	158.9	-65.4	-55.3	0	0	0	114
2948	Q	24.8	Very low	25.2	Very low	184.5 Å²	184.5	130.2 Å²	130.2	86%	0.862	70%	0.696	S	S	*	*			trans	55.3	135	151.8	-51	-176.3	58.2	0	0	117.5
2949	S	25.1	Very low	25.3	Very low	101.5 Å²	101.5	128.3 Å²	128.3	71%	0.71	69%	0.69	S	S	*	*				-117.4	145.6	94.1	52.4	0	0	0	0	112.7
2950	N	23.6	Very low	25.5	Very low	151 Å²	151	125.3 Å²	125.3	81%	0.807	67%	0.669	S	S	*	*			trans	113.7	123.8	150.7	-76.1	-19.4	0	0	0	116.6
2951	L	25.6	Very low	25.7	Very low	118.5 Å²	118.5	128.4 Å²	128.4	62%	0.62	68%	0.677	S	S	*	*			trans	-108.1	139.3	145.8	-99.4	97	0	0	0	113.7	H2880 G2953 W2971	H2880-L2951 HydrophobicContact CB-CD2 4.46Å; H2880-L2951 VanDerWaalsContact CE1-CD1 3.48Å; H2880-L2951 WeakPolarHBondContact CE1-CD1 3.14Å; H2880-L2951 VanDerWaalsContact ND1-CD2 3.32Å; H2880-L2951 WeakPolarHBondContact ND1-CD2 3.42Å; L2951-G2953 VanDerWaalsContact C-N 3.28Å; L2951-G2953 PolarHBondContact O-N 2.96Å; L2951-G2953 VanDerWaalsContact O-N 3.09Å; L2951-W2971 HydrophobicContact CD2-CE3 4.48Å; L2951-W2971 HydrophobicContact CD2-CH2 3.13Å; L2951-W2971 HydrophobicContact CD2-CZ2 3.79Å; L2951-W2971 HydrophobicContact CD2-CZ3 3.53Å
2952	N	24.4	Very low	25.8	Very low	159.5 Å²	159.5	127.7 Å²	127.7	85%	0.853	67%	0.672	S	S	*	*			trans	-79.6	96.9	175.3	-74.3	-46.8	0	0	0	111.8	R2954	N2952-R2954 PolarHBondContact O-N 3.21Å
2953	G	24.6	Very low	25.9	Very low	68 Å²	68	125.3 Å²	125.3	70%	0.701	66%	0.664	S	S	*	*			trans	-100.8	117.6	160.8	0	0	0	0	0	109.4	L2951	L2951-G2953 VanDerWaalsContact C-N 3.28Å; L2951-G2953 PolarHBondContact O-N 2.96Å; L2951-G2953 VanDerWaalsContact O-N 3.09Å
2954	R	24.5	Very low	25.9	Very low	196.5 Å²	196.5	122.1 Å²	122.1	74%	0.742	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91	131.4	177.4	-74.1	-178.1	175.3	178.8	-3.7	110.2	N2952 I2956 Y2970	N2952-R2954 PolarHBondContact O-N 3.21Å; R2954-I2956 PolarHBondContact O-N 3.14Å; R2954-Y2970 PolarHBondContact O-N 2.8Å
2955	L	25.2	Very low	25.9	Very low	142 Å²	142	119.9 Å²	119.9	74%	0.743	65%	0.645	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.5	114.4	173	-137.8	151.7	0	0	0	110.3	L2967	L2955-L2967 HydrophobicContact CD2-CD2 3.58Å
2956	I	24.4	Very low	25.9	Very low	97 Å²	97	119 Å²	119	50%	0.497	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.4	122.8	156.9	-55.8	179.6	0	0	0	106.7	R2954 F2968 Y2970	R2954-I2956 PolarHBondContact O-N 3.14Å; I2956-F2968 HydrophobicContact CB-CB 3.96Å; I2956-F2968 HydrophobicContact CG2-CB 4.46Å; I2956-F2968 PolarHBondContact N-O 2.83Å; I2956-F2968 WeakPolarHBondContact O-CB 3.4Å; I2956-F2968 PolarHBondContact O-N 3.25Å; I2956-Y2970 HydrophobicContact CD1-CD2 3.49Å; I2956-Y2970 VanDerWaalsContact CD1-CD2 3.49Å; I2956-Y2970 HydrophobicContact CD1-CE2 4.21Å; I2956-Y2970 HydrophobicContact CD1-CG 3.81Å
2957	V	26.7	Very low	26	Very low	93 Å²	93	118.1 Å²	118.1	56%	0.564	63%	0.625	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-44.2	116.5	165.3	-177.2	0	0	0	0	111.9	L2965	V2957-L2965 HydrophobicContact CG1-CD1 4.27Å
2958	H	28.1	Very low	26	Very low	126.5 Å²	126.5	117.7 Å²	117.7	59%	0.586	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)		-121.3	130.6	88.4	-124	-90.8	0	0	0	109.1	H2966 F2968	H2958-H2966 HydrophobicContact CB-CB 4.27Å; H2958-H2966 PolarHBondContact N-O 3.15Å; H2958-H2966 WeakPolarHBondContact O-CA 3.5Å; H2958-H2966 VanDerWaalsContact O-CB 3.31Å; H2958-H2966 WeakPolarHBondContact O-CB 3.25Å; H2958-H2966 PolarHBondContact O-N 2.62Å; H2958-F2968 HydrophobicContact CB-CD2 3.79Å; H2958-F2968 HydrophobicContact CB-CE2 3.66Å
2959	I	26.4	Very low	25.9	Very low	99 Å²	99	112.4 Å²	112.4	51%	0.508	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.8	118.2	-176.4	-54.4	175	0	0	0	108.2	S2941	S2941-I2959 WeakPolarHBondContact CB-O 3.49Å; S2941-I2959 PolarHBondContact OG-O 3.45Å
2960	D	28.2	Very low	25.9	Very low	49 Å²	49	116.2 Å²	116.2	26%	0.262	60%	0.6	S	S	.	*			trans	-86.8	165.8	171.8	142.8	17.4	0	0	0	110.8	V2939 T2940 S2962 N2963 I2964 H2966	V2939-D2960 HydrophobicContact CG1-CB 3.64Å; V2939-D2960 VanDerWaalsContact CG1-OD1 3.31Å; V2939-D2960 WeakPolarHBondContact CG1-OD1 3.19Å; T2940-D2960 PolarHBondContact N-OD1 3.07Å; D2960-S2962 PolarHBondContact O-N 2.81Å; D2960-S2962 VanDerWaalsContact O-N 3.07Å; D2960-S2962 VanDerWaalsContact OD1-CA 3.3Å; D2960-S2962 WeakPolarHBondContact OD1-CA 3.39Å; D2960-S2962 WeakPolarHBondContact OD1-CB 3.45Å; D2960-S2962 PolarHBondContact OD1-N 3.43Å; D2960-S2962 PolarHBondContact OD1-OG 2.95Å; D2960-S2962 WeakPolarHBondContact OD2-CB 3.38Å; D2960-S2962 PolarHBondContact OD2-OG 3.12Å; D2960-N2963 PolarHBondContact O-N 2.92Å; D2960-N2963 PolarHBondContact OD1-N 3.11Å; D2960-I2964 PolarHBondContact N-O 3.2Å; D2960-I2964 WeakPolarHBondContact OD1-CB 3.34Å; D2960-I2964 PolarHBondContact OD1-N 3.39Å; D2960-H2966 IonicContact OD1-NE2 2.68Å; D2960-H2966 IonicContact OD2-CD2 2.73Å; D2960-H2966 IonicContact OD2-CE1 3.78Å; D2960-H2966 IonicContact OD2-NE2 3.88Å; D2960-H2966 PolarHBondContact OD2-NE2 2.77Å
2961	H	27.8	Very low	26	Very low	158 Å²	158	117.2 Å²	117.2	73%	0.731	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn		-103.9	81.7	108.9	-58.7	-47.5	0	0	0	113.9	H2942	H2942-H2961 CarbonylContact C-O 3.39Å; H2942-H2961 PolarHBondContact N-O 3.01Å
2962	S	27.8	Very low	26	Very low	66 Å²	66	119.5 Å²	119.5	46%	0.462	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.2	62.4	178.3	-58.6	0	0	0	0	114.6	T2940 S2941 H2942 D2960 I2964	T2940-S2962 VanDerWaalsContact O-CB 3.26Å; T2940-S2962 WeakPolarHBondContact O-CB 3.14Å; T2940-S2962 PolarHBondContact O-OG 3.06Å; S2941-S2962 VanDerWaalsContact C-OG 3.23Å; S2941-S2962 WeakPolarHBondContact CA-OG 3.37Å; S2941-S2962 PolarHBondContact N-OG 3.14Å; H2942-S2962 PolarHBondContact N-OG 2.67Å; H2942-S2962 CarbonylContact O-C 3.58Å; H2942-S2962 WeakPolarHBondContact O-CA 3.41Å; D2960-S2962 PolarHBondContact O-N 2.81Å; D2960-S2962 VanDerWaalsContact O-N 3.07Å; D2960-S2962 VanDerWaalsContact OD1-CA 3.3Å; D2960-S2962 WeakPolarHBondContact OD1-CA 3.39Å; D2960-S2962 WeakPolarHBondContact OD1-CB 3.45Å; D2960-S2962 PolarHBondContact OD1-N 3.43Å; D2960-S2962 PolarHBondContact OD1-OG 2.95Å; D2960-S2962 WeakPolarHBondContact OD2-CB 3.38Å; D2960-S2962 PolarHBondContact OD2-OG 3.12Å; S2962-I2964 PolarHBondContact O-N 3.26Å
2963	N	27.8	Very low	26	Very low	101 Å²	101	116.9 Å²	116.9	54%	0.54	59%	0.585	S	S	.	*			trans	48.1	46	164.8	-74.7	-18	0	0	0	115.9	H2942 D2960	H2942-N2963 HydrophobicContact CB-CB 4.09Å; H2942-N2963 VanDerWaalsContact CB-ND2 3.34Å; H2942-N2963 WeakPolarHBondContact CB-ND2 3.35Å; H2942-N2963 WeakPolarHBondContact CB-OD1 3.49Å; H2942-N2963 PolarHBondContact O-N 2.97Å; H2942-N2963 PolarHBondContact O-OD1 3.23Å; D2960-N2963 PolarHBondContact O-N 2.92Å; D2960-N2963 PolarHBondContact OD1-N 3.11Å
2964	I	25.8	Very low	26	Very low	106.5 Å²	106.5	120 Å²	120	55%	0.546	58%	0.581	S	S	.	*	S	Bend	trans	-69.1	139.5	153.4	-62.8	169.1	0	0	0	108.4	D2960 S2962 H2966	D2960-I2964 PolarHBondContact N-O 3.2Å; D2960-I2964 WeakPolarHBondContact OD1-CB 3.34Å; D2960-I2964 PolarHBondContact OD1-N 3.39Å; S2962-I2964 PolarHBondContact O-N 3.26Å; I2964-H2966 PolarHBondContact O-CD2 3Å; I2964-H2966 PolarHBondContact O-N 3.03Å; I2964-H2966 VanDerWaalsContact O-N 3.17Å
2965	L	26.2	Very low	26.2	Very low	106 Å²	106	114.3 Å²	114.3	56%	0.555	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	7.9	40	172.9	-123.6	130	0	0	0	115	V2957 L2967	V2957-L2965 HydrophobicContact CG1-CD1 4.27Å; L2965-L2967 VanDerWaalsContact C-N 3.28Å; L2965-L2967 HydrophobicContact CD2-CD1 3.79Å; L2965-L2967 HydrophobicContact CD2-CG 3.76Å; L2965-L2967 PolarHBondContact O-N 3.04Å
2966	H	27.2	Very low	26.3	Very low	88.5 Å²	88.5	111.8 Å²	111.8	41%	0.41	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.4	58.9	-175.6	-98.5	-76.4	0	0	0	113.9	Q2944 H2958 D2960 I2964 F2968	Q2944-H2966 PolarHBondContact NE2-CD2 3.45Å; Q2944-H2966 PolarHBondContact NE2-NE2 3.28Å; H2958-H2966 HydrophobicContact CB-CB 4.27Å; H2958-H2966 PolarHBondContact N-O 3.15Å; H2958-H2966 WeakPolarHBondContact O-CA 3.5Å; H2958-H2966 VanDerWaalsContact O-CB 3.31Å; H2958-H2966 WeakPolarHBondContact O-CB 3.25Å; H2958-H2966 PolarHBondContact O-N 2.62Å; D2960-H2966 IonicContact OD1-NE2 2.68Å; D2960-H2966 IonicContact OD2-CD2 2.73Å; D2960-H2966 IonicContact OD2-CE1 3.78Å; D2960-H2966 IonicContact OD2-NE2 3.88Å; D2960-H2966 PolarHBondContact OD2-NE2 2.77Å; I2964-H2966 PolarHBondContact O-CD2 3Å; I2964-H2966 PolarHBondContact O-N 3.03Å; I2964-H2966 VanDerWaalsContact O-N 3.17Å; H2966-F2968 HydrophobicContact CB-CD2 3.76Å; H2966-F2968 HydrophobicContact CB-CE2 3.25Å; H2966-F2968 HydrophobicContact CB-CZ 3.72Å; H2966-F2968 AromaticContact CG-CE2 3.95Å; H2966-F2968 PolarHBondContact O-N 3.46Å
2967	L	25.8	Very low	26.3	Very low	134.5 Å²	134.5	113.5 Å²	113.5	70%	0.704	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.9	68.8	171.4	-92.7	164.9	0	0	0	111.1	L2955 L2965	L2955-L2967 HydrophobicContact CD2-CD2 3.58Å; L2965-L2967 VanDerWaalsContact C-N 3.28Å; L2965-L2967 HydrophobicContact CD2-CD1 3.79Å; L2965-L2967 HydrophobicContact CD2-CG 3.76Å; L2965-L2967 PolarHBondContact O-N 3.04Å
2968	F	25.3	Very low	26.3	Very low	125.5 Å²	125.5	113.8 Å²	113.8	55%	0.55	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.4	54.9	166.8	-89.2	-78.4	0	0	0	111.2	I2956 H2958 H2966 Y2970	I2956-F2968 HydrophobicContact CB-CB 3.96Å; I2956-F2968 HydrophobicContact CG2-CB 4.46Å; I2956-F2968 PolarHBondContact N-O 2.83Å; I2956-F2968 WeakPolarHBondContact O-CB 3.4Å; I2956-F2968 PolarHBondContact O-N 3.25Å; H2958-F2968 HydrophobicContact CB-CD2 3.79Å; H2958-F2968 HydrophobicContact CB-CE2 3.66Å; H2966-F2968 HydrophobicContact CB-CD2 3.76Å; H2966-F2968 HydrophobicContact CB-CE2 3.25Å; H2966-F2968 HydrophobicContact CB-CZ 3.72Å; H2966-F2968 AromaticContact CG-CE2 3.95Å; H2966-F2968 PolarHBondContact O-N 3.46Å; F2968-Y2970 PolarHBondContact O-N 3.06Å
2969	S	24.5	Very low	26.2	Very low	72 Å²	72	110.6 Å²	110.6	50%	0.503	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.2	118.7	167.6	51.3	0	0	0	0	109.9	W2971	S2969-W2971 PolarHBondContact O-N 3.04Å
2970	Y	24.4	Very low	26.3	Very low	182 Å²	182	109.5 Å²	109.5	71%	0.714	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	0.5	101.3	176.3	-101.4	-85.6	0	0	0	112.9	R2954 I2956 F2968	R2954-Y2970 PolarHBondContact O-N 2.8Å; I2956-Y2970 HydrophobicContact CD1-CD2 3.49Å; I2956-Y2970 VanDerWaalsContact CD1-CD2 3.49Å; I2956-Y2970 HydrophobicContact CD1-CE2 4.21Å; I2956-Y2970 HydrophobicContact CD1-CG 3.81Å; F2968-Y2970 PolarHBondContact O-N 3.06Å
2971	W	26.1	Very low	26.2	Very low	171.5 Å²	171.5	114.2 Å²	114.2	65%	0.65	58%	0.577	S	S	*	*			trans	-92.6	144	157.1	-66.1	38.6	0	0	0	108.1	L2951 S2969 P2973 K2988	L2951-W2971 HydrophobicContact CD2-CE3 4.48Å; L2951-W2971 HydrophobicContact CD2-CH2 3.13Å; L2951-W2971 HydrophobicContact CD2-CZ2 3.79Å; L2951-W2971 HydrophobicContact CD2-CZ3 3.53Å; S2969-W2971 PolarHBondContact O-N 3.04Å; W2971-P2973 WeakPolarHBondContact O-CD 3.46Å; W2971-K2988 VanDerWaalsContact CZ2-NZ 3.33Å
2972	R	23.8	Very low	26.1	Very low	167 Å²	167	109.5 Å²	109.5	63%	0.63	56%	0.562	S	S	*	*			trans	-97.5	142.8	163	-94.6	-169.9	172.5	-156.3	2.9	110.2	E2974 I2975	R2972-E2974 WeakPolarHBondContact CD-OE2 3.37Å; R2972-E2974 IonicContact CZ-OE2 2.78Å; R2972-E2974 IonicContact NE-OE2 2.78Å; R2972-E2974 IonicContact NH1-OE2 3.34Å; R2972-E2974 PolarHBondContact NH1-OE2 3.24Å; R2972-E2974 PolarHBondContact O-N 2.99Å; R2972-I2975 HydrophobicContact CB-CD1 4.28Å; R2972-I2975 HydrophobicContact CB-CG1 4.42Å
2973	P	25.2	Very low	26.2	Very low	105.5 Å²	105.5	111.6 Å²	111.6	69%	0.685	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	1.1	179.8	-10.4	27.7	0	0	0	114.6	W2971 I2975	W2971-P2973 WeakPolarHBondContact O-CD 3.46Å; P2973-I2975 VanDerWaalsContact C-N 3.3Å; P2973-I2975 PolarHBondContact O-N 3.37Å
2974	E	25.8	Very low	26.3	Very low	133 Å²	133	113.3 Å²	113.3	62%	0.621	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	2	-167.2	-67.8	161.1	150.8	0	0	114	R2972 C2976	R2972-E2974 WeakPolarHBondContact CD-OE2 3.37Å; R2972-E2974 IonicContact CZ-OE2 2.78Å; R2972-E2974 IonicContact NE-OE2 2.78Å; R2972-E2974 IonicContact NH1-OE2 3.34Å; R2972-E2974 PolarHBondContact NH1-OE2 3.24Å; R2972-E2974 PolarHBondContact O-N 2.99Å; E2974-C2976 VanDerWaalsContact C-N 3.27Å; E2974-C2976 PolarHBondContact O-N 2.78Å
2975	I	26.7	Very low	26.2	Very low	77 Å²	77	116.6 Å²	116.6	40%	0.395	59%	0.589	S	S	.	*	H	α-helix	trans	-89.9	5.1	-177.5	-58.3	177.7	0	0	0	111.9	R2972 P2973 E2977 D2978 V2979	R2972-I2975 HydrophobicContact CB-CD1 4.28Å; R2972-I2975 HydrophobicContact CB-CG1 4.42Å; P2973-I2975 VanDerWaalsContact C-N 3.3Å; P2973-I2975 PolarHBondContact O-N 3.37Å; I2975-E2977 VanDerWaalsContact C-N 3.26Å; I2975-E2977 PolarHBondContact O-N 3.11Å; I2975-D2978 HydrophobicContact CG2-CB 3.87Å; I2975-D2978 VanDerWaalsContact CG2-CB 3.47Å; I2975-D2978 CarbonylContact O-C 3.4Å; I2975-D2978 PolarHBondContact O-N 3.18Å; I2975-D2978 VanDerWaalsContact O-N 3.07Å; I2975-V2979 HydrophobicContact CB-CG2 4.21Å; I2975-V2979 HydrophobicContact CG2-CG2 3.84Å; I2975-V2979 WeakPolarHBondContact O-CB 3.42Å; I2975-V2979 VanDerWaalsContact O-CG2 3.31Å; I2975-V2979 WeakPolarHBondContact O-CG2 3.39Å; I2975-V2979 PolarHBondContact O-N 3.15Å
2976	C	27.4	Very low	26.2	Very low	89.5 Å²	89.5	119 Å²	119	61%	0.605	60%	0.595	S	S	*	*	H	α-helix	trans	-68.1	-22	-173.8	-75.1	0	0	0	0	115.7	E2974 S2980	E2974-C2976 VanDerWaalsContact C-N 3.27Å; E2974-C2976 PolarHBondContact O-N 2.78Å; C2976-S2980 PolarHBondContact O-OG 2.68Å
2977	E	24.7	Very low	26.2	Very low	132.5 Å²	132.5	119.9 Å²	119.9	62%	0.619	61%	0.609	S	S	*	*	H	α-helix	trans	-90.6	-32.9	170.5	-69.1	-175.4	144.3	0	0	111.8	I2975 V2979 S2980 L2981 Y3285	I2975-E2977 VanDerWaalsContact C-N 3.26Å; I2975-E2977 PolarHBondContact O-N 3.11Å; E2977-V2979 PolarHBondContact O-N 3.11Å; E2977-S2980 PolarHBondContact O-N 3.42Å; E2977-S2980 PolarHBondContact O-OG 2.97Å; E2977-L2981 WeakPolarHBondContact O-CB 3.25Å; E2977-L2981 WeakPolarHBondContact O-CD1 3.34Å; E2977-L2981 WeakPolarHBondContact O-CG 3.18Å; E2977-L2981 PolarHBondContact O-N 3.02Å; E2977-Y3285 WeakPolarHBondContact OE1-CD2 3.19Å; E2977-Y3285 VanDerWaalsContact OE1-CE2 3.25Å; E2977-Y3285 WeakPolarHBondContact OE1-CE2 3.43Å
2978	D	26.9	Very low	26.3	Very low	98.5 Å²	98.5	119.5 Å²	119.5	53%	0.527	60%	0.601	S	S	.	*	H	α-helix	trans	-65.5	-31	167.5	-75.8	-37.1	0	0	0	112.5	I2975 S2980 L2981 S2982	I2975-D2978 HydrophobicContact CG2-CB 3.87Å; I2975-D2978 VanDerWaalsContact CG2-CB 3.47Å; I2975-D2978 CarbonylContact O-C 3.4Å; I2975-D2978 PolarHBondContact O-N 3.18Å; I2975-D2978 VanDerWaalsContact O-N 3.07Å; D2978-S2980 VanDerWaalsContact C-N 3.28Å; D2978-S2980 PolarHBondContact O-N 3.4Å; D2978-L2981 CarbonylContact O-C 3.59Å; D2978-L2981 PolarHBondContact O-N 3.31Å; D2978-S2982 CarbonylContact O-C 3.48Å; D2978-S2982 WeakPolarHBondContact O-CA 3.3Å; D2978-S2982 VanDerWaalsContact O-CB 3.25Å; D2978-S2982 WeakPolarHBondContact O-CB 3.45Å; D2978-S2982 PolarHBondContact O-N 3.07Å; D2978-S2982 PolarHBondContact O-OG 3.22Å
2979	V	26.9	Very low	26.3	Very low	59.5 Å²	59.5	121.2 Å²	121.2	36%	0.361	61%	0.611	S	S	.	*	H	α-helix	trans	-71.5	-35.8	-179.3	151.6	0	0	0	0	111.1	I2975 E2977 L2981 I2983	I2975-V2979 HydrophobicContact CB-CG2 4.21Å; I2975-V2979 HydrophobicContact CG2-CG2 3.84Å; I2975-V2979 WeakPolarHBondContact O-CB 3.42Å; I2975-V2979 VanDerWaalsContact O-CG2 3.31Å; I2975-V2979 WeakPolarHBondContact O-CG2 3.39Å; I2975-V2979 PolarHBondContact O-N 3.15Å; E2977-V2979 PolarHBondContact O-N 3.11Å; V2979-L2981 PolarHBondContact O-N 3.46Å; V2979-I2983 HydrophobicContact CB-CG1 4.16Å; V2979-I2983 HydrophobicContact CG1-CD1 3.58Å; V2979-I2983 HydrophobicContact CG1-CG1 3.67Å; V2979-I2983 HydrophobicContact CG2-CG1 4.35Å; V2979-I2983 WeakPolarHBondContact O-CB 3.07Å; V2979-I2983 WeakPolarHBondContact O-CD1 3.43Å; V2979-I2983 WeakPolarHBondContact O-CG1 3.41Å; V2979-I2983 PolarHBondContact O-N 3.16Å
2980	S	27.2	Very low	26.3	Very low	77 Å²	77	125.2 Å²	125.2	54%	0.538	63%	0.626	S	S	.	*	H	α-helix	trans	-72.8	-21.1	172.7	37.7	0	0	0	0	113.7	C2976 E2977 D2978	C2976-S2980 PolarHBondContact O-OG 2.68Å; E2977-S2980 PolarHBondContact O-N 3.42Å; E2977-S2980 PolarHBondContact O-OG 2.97Å; D2978-S2980 VanDerWaalsContact C-N 3.28Å; D2978-S2980 PolarHBondContact O-N 3.4Å
2981	L	26.8	Very low	26.3	Very low	147 Å²	147	122.7 Å²	122.7	77%	0.77	63%	0.625	S	S	*	*	H	α-helix	trans	-105.5	-15.7	179.8	-71.3	167.3	0	0	0	114.2	E2977 D2978 V2979	E2977-L2981 WeakPolarHBondContact O-CB 3.25Å; E2977-L2981 WeakPolarHBondContact O-CD1 3.34Å; E2977-L2981 WeakPolarHBondContact O-CG 3.18Å; E2977-L2981 PolarHBondContact O-N 3.02Å; D2978-L2981 CarbonylContact O-C 3.59Å; D2978-L2981 PolarHBondContact O-N 3.31Å; V2979-L2981 PolarHBondContact O-N 3.46Å
2982	S	26.4	Very low	26.3	Very low	59.5 Å²	59.5	118.8 Å²	118.8	42%	0.416	62%	0.624	S	S	.	*	H	α-helix	trans	-125.5	24.9	-177.1	62.8	0	0	0	0	115.2	D2978 N2984 E2985	D2978-S2982 CarbonylContact O-C 3.48Å; D2978-S2982 WeakPolarHBondContact O-CA 3.3Å; D2978-S2982 VanDerWaalsContact O-CB 3.25Å; D2978-S2982 WeakPolarHBondContact O-CB 3.45Å; D2978-S2982 PolarHBondContact O-N 3.07Å; D2978-S2982 PolarHBondContact O-OG 3.22Å; S2982-N2984 PolarHBondContact O-N 3Å; S2982-E2985 PolarHBondContact O-N 3.32Å
2983	I	28.3	Very low	26.3	Very low	110 Å²	110	116.7 Å²	116.7	56%	0.564	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-5	174.1	-90.5	167.7	0	0	0	114.4	V2979 E2985	V2979-I2983 HydrophobicContact CB-CG1 4.16Å; V2979-I2983 HydrophobicContact CG1-CD1 3.58Å; V2979-I2983 HydrophobicContact CG1-CG1 3.67Å; V2979-I2983 HydrophobicContact CG2-CG1 4.35Å; V2979-I2983 WeakPolarHBondContact O-CB 3.07Å; V2979-I2983 WeakPolarHBondContact O-CD1 3.43Å; V2979-I2983 WeakPolarHBondContact O-CG1 3.41Å; V2979-I2983 PolarHBondContact O-N 3.16Å; I2983-E2985 PolarHBondContact O-N 3.14Å
2984	N	30	Very low	26.4	Very low	136 Å²	136	116.5 Å²	116.5	73%	0.727	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-4.5	-172.7	-71.1	-29.5	0	0	0	115.5	S2982	S2982-N2984 PolarHBondContact O-N 3Å
2985	E	24.8	Very low	26.4	Very low	176.5 Å²	176.5	117.4 Å²	117.4	83%	0.825	62%	0.621	S	S	*	*			trans	-125.3	54.5	179.7	-65.1	-164.3	160.2	0	0	113.9	S2982 I2983	S2982-E2985 PolarHBondContact O-N 3.32Å; I2983-E2985 PolarHBondContact O-N 3.14Å
2986	F	26.2	Very low	26.4	Very low	157.5 Å²	157.5	119.9 Å²	119.9	69%	0.691	63%	0.634	S	S	*	*			trans	-105.2	112.6	163.6	-109.4	-73.5	0	0	0	112.1	K2988	F2986-K2988 HydrophobicContact CD1-CD 4.01Å; F2986-K2988 HydrophobicContact CD1-CG 4.37Å; F2986-K2988 HydrophobicContact CE1-CD 4.27Å; F2986-K2988 PolarHBondContact O-N 3.1Å
2987	P	27.5	Very low	26.4	Very low	106 Å²	106	119.3 Å²	119.3	69%	0.688	63%	0.631	S	S	*	*			trans	-71.8	110.4	-177.8	9.8	-3.7	0	0	0	111.4	Q2989	P2987-Q2989 PolarHBondContact O-N 3.26Å
2988	K	26.3	Very low	26.5	Very low	126 Å²	126	119.9 Å²	119.9	55%	0.548	63%	0.632	S	S	.	*			trans	-98.7	67.1	178.7	-115.5	-176.2	177.9	174.8	0	113.1	N2359 W2971 F2986 L2990	N2359-K2988 PolarHBondContact OD1-NZ 3.4Å; W2971-K2988 VanDerWaalsContact CZ2-NZ 3.33Å; F2986-K2988 HydrophobicContact CD1-CD 4.01Å; F2986-K2988 HydrophobicContact CD1-CG 4.37Å; F2986-K2988 HydrophobicContact CE1-CD 4.27Å; F2986-K2988 PolarHBondContact O-N 3.1Å; K2988-L2990 HydrophobicContact CB-CD1 4.17Å; K2988-L2990 HydrophobicContact CB-CG 4.27Å; K2988-L2990 HydrophobicContact CD-CD1 4.09Å; K2988-L2990 PolarHBondContact O-N 3.4Å
2989	Q	25.6	Very low	26.7	Very low	162.5 Å²	162.5	117.4 Å²	117.4	76%	0.759	63%	0.625	S	S	*	*			trans	-81.6	25.5	172.1	-72.3	133	-47.4	0	0	111.9	P2987 N2991	P2987-Q2989 PolarHBondContact O-N 3.26Å; Q2989-N2991 PolarHBondContact O-N 3.22Å
2990	L	24.2	Very low	26.8	Very low	154.5 Å²	154.5	120.5 Å²	120.5	81%	0.809	63%	0.634	S	S	*	*			trans	-88.9	100.9	173.8	-87.1	164.7	0	0	0	110.2	K2988	K2988-L2990 HydrophobicContact CB-CD1 4.17Å; K2988-L2990 HydrophobicContact CB-CG 4.27Å; K2988-L2990 HydrophobicContact CD-CD1 4.09Å; K2988-L2990 PolarHBondContact O-N 3.4Å
2991	N	24.5	Very low	26.8	Very low	130 Å²	130	121.1 Å²	121.1	70%	0.695	63%	0.63	S	S	*	*			trans	-65.5	146.9	179.5	-93.2	-26	0	0	0	112.4	Q2989 L2993 I2994	Q2989-N2991 PolarHBondContact O-N 3.22Å; N2991-L2993 HydrophobicContact CB-CD1 4.49Å; N2991-L2993 PolarHBondContact O-N 3.4Å; N2991-I2994 PolarHBondContact O-N 3.01Å
2992	S	26.3	Very low	26.9	Very low	90 Å²	90	118.8 Å²	118.8	63%	0.629	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	6.4	52.8	168.5	55.8	0	0	0	0	117.1
2993	L	25.4	Very low	26.9	Very low	122.5 Å²	122.5	120.8 Å²	120.8	64%	0.641	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.4	39.1	158.8	-88.9	146.5	0	0	0	111.8	N2991 L2996 S2997 F3057	N2991-L2993 HydrophobicContact CB-CD1 4.49Å; N2991-L2993 PolarHBondContact O-N 3.4Å; L2993-L2996 PolarHBondContact O-N 2.96Å; L2993-S2997 PolarHBondContact O-N 3.39Å; L2993-S2997 PolarHBondContact O-OG 2.92Å; L2993-F3057 WeakPolarHBondContact CD1-O 3.38Å
2994	I	25.7	Very low	26.8	Very low	102 Å²	102	121.8 Å²	121.8	52%	0.523	61%	0.612	S	S	.	*	S	Bend	trans	-14.6	37.2	163.6	-57.9	177.3	0	0	0	115.2	N2991 L2996 S2997 F2998	N2991-I2994 PolarHBondContact O-N 3.01Å; I2994-L2996 PolarHBondContact O-N 2.93Å; I2994-S2997 WeakPolarHBondContact CA-OG 3.2Å; I2994-S2997 PolarHBondContact O-N 2.91Å; I2994-S2997 VanDerWaalsContact O-N 3.15Å; I2994-S2997 PolarHBondContact O-OG 3.38Å; I2994-F2998 HydrophobicContact CG2-CD2 4.3Å; I2994-F2998 PolarHBondContact O-N 2.97Å; I2994-F2998 VanDerWaalsContact O-N 3.13Å
2995	Q	26.2	Very low	27.1	Very low	151.5 Å²	151.5	118.3 Å²	118.3	71%	0.708	61%	0.608	S	S	*	*	H	α-helix	trans	-16.3	50.1	155	-68.6	172	-32.8	0	0	115.8	S2997 A2999	Q2995-S2997 VanDerWaalsContact C-N 3.27Å; Q2995-S2997 PolarHBondContact O-N 3.29Å; Q2995-A2999 PolarHBondContact O-N 3.25Å
2996	L	26.8	Very low	27.3	Very low	128.5 Å²	128.5	115.4 Å²	115.4	67%	0.673	60%	0.595	S	S	*	*	H	α-helix	trans	4.1	40	168.4	-84.8	158.3	0	0	0	116.1	L2993 I2994 F2998	L2993-L2996 PolarHBondContact O-N 2.96Å; I2994-L2996 PolarHBondContact O-N 2.93Å; L2996-F2998 HydrophobicContact CD2-CD2 4.03Å; L2996-F2998 HydrophobicContact CD2-CE2 3.94Å
2997	S	26.9	Very low	27.4	Very low	78 Å²	78	111.4 Å²	111.4	55%	0.545	58%	0.578	S	S	.	*	H	α-helix	trans	-126.1	20.9	161.3	35.5	0	0	0	0	110.3	L2993 I2994 Q2995 A2999 K3000	L2993-S2997 PolarHBondContact O-N 3.39Å; L2993-S2997 PolarHBondContact O-OG 2.92Å; I2994-S2997 WeakPolarHBondContact CA-OG 3.2Å; I2994-S2997 PolarHBondContact O-N 2.91Å; I2994-S2997 VanDerWaalsContact O-N 3.15Å; I2994-S2997 PolarHBondContact O-OG 3.38Å; Q2995-S2997 VanDerWaalsContact C-N 3.27Å; Q2995-S2997 PolarHBondContact O-N 3.29Å; S2997-A2999 PolarHBondContact O-N 3.19Å; S2997-K3000 PolarHBondContact O-N 3.2Å
2998	F	28.5	Very low	27.5	Very low	144 Å²	144	107.3 Å²	107.3	63%	0.632	55%	0.552	S	S	*	*	H	α-helix	trans	-65.5	-28.5	-176.4	-98.2	-88.7	0	0	0	113.9	I2994 L2996 K3000 F3016	I2994-F2998 HydrophobicContact CG2-CD2 4.3Å; I2994-F2998 PolarHBondContact O-N 2.97Å; I2994-F2998 VanDerWaalsContact O-N 3.13Å; L2996-F2998 HydrophobicContact CD2-CD2 4.03Å; L2996-F2998 HydrophobicContact CD2-CE2 3.94Å; F2998-K3000 VanDerWaalsContact C-N 3.26Å; F2998-K3000 PolarHBondContact O-N 3.36Å; F2998-F3016 AromaticContact CD1-CD2 3.76Å; F2998-F3016 HydrophobicContact CD1-CD2 3.76Å; F2998-F3016 AromaticContact CD1-CE2 3.59Å; F2998-F3016 HydrophobicContact CD1-CE2 3.59Å; F2998-F3016 HydrophobicContact CD1-CZ 4.35Å; F2998-F3016 HydrophobicContact CE1-CD2 4.05Å; F2998-F3016 HydrophobicContact CE1-CE2 4.03Å
2999	A	29.1	Very low	27.7	Very low	46.5 Å²	46.5	102.8 Å²	102.8	38%	0.384	53%	0.534	S	S	.	.	H	α-helix	trans	-101.1	-112.5	175.7	0	0	0	0	0	111.4	Q2995 S2997 F3028	Q2995-A2999 PolarHBondContact O-N 3.25Å; S2997-A2999 PolarHBondContact O-N 3.19Å; A2999-F3028 HydrophobicContact CB-CE2 4.29Å; A2999-F3028 HydrophobicContact CB-CZ 3.83Å
3000	K	29.4	Very low	28.1	Very low	125.5 Å²	125.5	95.9 Å²	95.9	55%	0.546	50%	0.502	S	S	.	.	H	α-helix	trans	-101.8	42.6	171.3	-72.5	-173.9	177.3	-177.5	0	110.9	S2997 F2998 Y3002 L3011	S2997-K3000 PolarHBondContact O-N 3.2Å; F2998-K3000 VanDerWaalsContact C-N 3.26Å; F2998-K3000 PolarHBondContact O-N 3.36Å; K3000-Y3002 HydrophobicContact CB-CD2 4.13Å; K3000-Y3002 HydrophobicContact CB-CE2 3.43Å; K3000-Y3002 VanDerWaalsContact CB-CE2 3.43Å; K3000-Y3002 HydrophobicContact CD-CE2 4.13Å; K3000-Y3002 WeakPolarHBondContact CD-OH 3.09Å; K3000-Y3002 HydrophobicContact CG-CE2 4.43Å; K3000-L3011 PolarHBondContact O-N 3.31Å
3001	I	28.3	Very low	28.5	Very low	89 Å²	89	91.5 Å²	91.5	46%	0.456	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.1	172.3	-60.5	172.6	0	0	0	106.3	I3009 I3039	I3001-I3009 WeakPolarHBondContact CA-O 3.47Å; I3001-I3039 HydrophobicContact CD1-CD1 4.49Å
3002	Y	29.1	Very low	29	Very low	99 Å²	99	86.9 Å²	86.9	39%	0.388	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.3	171	-62.1	-95.4	0	0	0	109	K3000 I3009 L3011	K3000-Y3002 HydrophobicContact CB-CD2 4.13Å; K3000-Y3002 HydrophobicContact CB-CE2 3.43Å; K3000-Y3002 VanDerWaalsContact CB-CE2 3.43Å; K3000-Y3002 HydrophobicContact CD-CE2 4.13Å; K3000-Y3002 WeakPolarHBondContact CD-OH 3.09Å; K3000-Y3002 HydrophobicContact CG-CE2 4.43Å; Y3002-I3009 PolarHBondContact N-O 2.9Å; Y3002-I3009 PolarHBondContact O-N 3.35Å; Y3002-L3011 HydrophobicContact CD2-CD1 3.67Å; Y3002-L3011 HydrophobicContact CE2-CD1 3.35Å
3003	Q	26.5	Very low	29.5	Very low	101 Å²	101	85.9 Å²	85.9	47%	0.472	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.5	168.5	-171.1	177.8	2.8	0	0	107.8
3004	Y	26	Very low	30	Very low	131 Å²	131	82 Å²	82	51%	0.514	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	92.8	178.5	-130.3	-88.9	0	0	0	108.9	Q3006 Q3007	Y3004-Q3006 PolarHBondContact O-N 3.13Å; Y3004-Q3006 VanDerWaalsContact O-N 3.1Å; Y3004-Q3007 PolarHBondContact N-O 3.23Å; Y3004-Q3007 WeakPolarHBondContact O-CB 3.23Å; Y3004-Q3007 WeakPolarHBondContact O-CG 3.22Å; Y3004-Q3007 PolarHBondContact O-N 3.05Å
3005	G	34.9	Very low	30.5	Very low	63 Å²	63	83.7 Å²	83.7	65%	0.649	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-116.3	-171.2	0	0	0	0	0	111.4	Q3007	G3005-Q3007 VanDerWaalsContact C-N 3.31Å
3006	Q	29.4	Very low	30.9	Very low	115 Å²	115	77.9 Å²	77.9	54%	0.537	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	13.4	178.7	-67.3	-172.8	-15.4	0	0	114.4	Y3004 N3099 I3100	Y3004-Q3006 PolarHBondContact O-N 3.13Å; Y3004-Q3006 VanDerWaalsContact O-N 3.1Å; Q3006-N3099 PolarHBondContact NE2-O 3.28Å; Q3006-I3100 CarbonylContact C-O 3.57Å; Q3006-I3100 WeakPolarHBondContact CA-O 3.23Å; Q3006-I3100 WeakPolarHBondContact CB-O 3.47Å; Q3006-I3100 WeakPolarHBondContact CG-O 3.27Å
3007	Q	28.1	Very low	31.4	Very low	74 Å²	74	73.5 Å²	73.5	35%	0.346	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.3	-169.8	-41	-161.3	-46.1	0	0	112.2	Y3004 G3005 S3103	Y3004-Q3007 PolarHBondContact N-O 3.23Å; Y3004-Q3007 WeakPolarHBondContact O-CB 3.23Å; Y3004-Q3007 WeakPolarHBondContact O-CG 3.22Å; Y3004-Q3007 PolarHBondContact O-N 3.05Å; G3005-Q3007 VanDerWaalsContact C-N 3.31Å; Q3007-S3103 WeakPolarHBondContact CG-OG 3.4Å; Q3007-S3103 PolarHBondContact NE2-OG 2.93Å
3008	S	29.6	Very low	31.9	Very low	20 Å²	20	74.4 Å²	74.4	14%	0.14	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.2	169.2	-51.1	0	0	0	0	109.2	Y3101 L3105	S3008-Y3101 WeakPolarHBondContact OG-CD1 3.42Å; S3008-Y3101 WeakPolarHBondContact OG-CE1 3.28Å; S3008-L3105 PolarHBondContact O-N 2.99Å; S3008-L3105 VanDerWaalsContact O-N 3.12Å
3009	I	31.6	Very low	32.4	Very low	32 Å²	32	71 Å²	71	16%	0.164	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.7	177.1	-55.5	170.7	0	0	0	108.8	I3001 Y3002 L3011	I3001-I3009 WeakPolarHBondContact CA-O 3.47Å; Y3002-I3009 PolarHBondContact N-O 2.9Å; Y3002-I3009 PolarHBondContact O-N 3.35Å; I3009-L3011 HydrophobicContact CG2-CD1 4.33Å; I3009-L3011 HydrophobicContact CG2-CG 4.38Å
3010	I	32.7	Very low	32.7	Very low	17 Å²	17	70.1 Å²	70.1	9%	0.087	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.8	173.4	-55.5	175.4	0	0	0	108.5	F3012 I3032 L3105 Y3107	I3010-F3012 HydrophobicContact CB-CE2 4.39Å; I3010-F3012 HydrophobicContact CG2-CD2 4.19Å; I3010-F3012 HydrophobicContact CG2-CE1 4.45Å; I3010-F3012 HydrophobicContact CG2-CE2 3.61Å; I3010-F3012 HydrophobicContact CG2-CZ 3.78Å; I3010-I3032 HydrophobicContact CD1-CD1 4.11Å; I3010-L3105 PolarHBondContact N-O 3.2Å; I3010-Y3107 PolarHBondContact O-N 2.97Å
3011	L	33.8	Very low	33.1	Very low	63 Å²	63	68 Å²	68	33%	0.33	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.3	179.4	-89.7	146.6	0	0	0	111.2	K3000 Y3002 I3009 Y3107	K3000-L3011 PolarHBondContact O-N 3.31Å; Y3002-L3011 HydrophobicContact CD2-CD1 3.67Å; Y3002-L3011 HydrophobicContact CE2-CD1 3.35Å; I3009-L3011 HydrophobicContact CG2-CD1 4.33Å; I3009-L3011 HydrophobicContact CG2-CG 4.38Å; L3011-Y3107 HydrophobicContact CD2-CD1 3.54Å; L3011-Y3107 HydrophobicContact CD2-CE1 4.15Å; L3011-Y3107 HydrophobicContact CD2-CG 4.3Å
3012	F	35.4	Very low	33.6	Very low	33 Å²	33	70.4 Å²	70.4	15%	0.145	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.6	173.7	-67.7	-79.5	0	0	0	111.9	I3010 F3016 M3017 F3028 I3106	I3010-F3012 HydrophobicContact CB-CE2 4.39Å; I3010-F3012 HydrophobicContact CG2-CD2 4.19Å; I3010-F3012 HydrophobicContact CG2-CE1 4.45Å; I3010-F3012 HydrophobicContact CG2-CE2 3.61Å; I3010-F3012 HydrophobicContact CG2-CZ 3.78Å; F3012-F3016 HydrophobicContact CD1-CD1 4.01Å; F3012-F3016 HydrophobicContact CD1-CE1 4.39Å; F3012-F3016 HydrophobicContact CE1-CD1 4.43Å; F3012-F3016 HydrophobicContact CE1-CE1 4.38Å; F3012-M3017 HydrophobicContact CB-CG 4.25Å; F3012-M3017 HydrophobicContact CD1-SD 4.35Å; F3012-M3017 HydrophobicContact CG-SD 4.49Å; F3012-F3028 HydrophobicContact CE1-CD1 4.18Å; F3012-F3028 AromaticContact CE1-CE1 3.47Å; F3012-F3028 HydrophobicContact CE1-CE1 3.47Å; F3012-F3028 VanDerWaalsContact CE1-CE1 3.47Å; F3012-F3028 HydrophobicContact CE1-CZ 4.09Å; F3012-F3028 HydrophobicContact CZ-CD1 4.41Å; F3012-F3028 AromaticContact CZ-CE1 3.7Å; F3012-F3028 HydrophobicContact CZ-CE1 3.7Å; F3012-I3106 HydrophobicContact CD2-CG2 4.41Å; F3012-I3106 HydrophobicContact CE2-CG2 4.22Å
3013	S	37	Very low	34	Very low	68 Å²	68	71 Å²	71	48%	0.476	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-86.7	145.8	168.2	65	0	0	0	0	111.4	D3015 F3016 M3017	S3013-D3015 PolarHBondContact O-N 2.82Å; S3013-F3016 PolarHBondContact O-N 3.44Å; S3013-F3016 VanDerWaalsContact O-N 3.08Å; S3013-M3017 PolarHBondContact O-N 3.3Å
3014	N	35.6	Very low	34.6	Very low	41 Å²	41	70.4 Å²	70.4	22%	0.219	38%	0.376	C	S	.	.	H	α-helix	trans	-58.6	-30	-178.8	-93.4	-28.4	0	0	0	114.1	F3016 N3018 K3109 N3111	N3014-F3016 VanDerWaalsContact C-N 3.31Å; N3014-N3018 PolarHBondContact O-ND2 3.49Å; N3014-K3109 PolarHBondContact ND2-O 2.91Å; N3014-K3109 PolarHBondContact OD1-O 2.8Å; N3014-N3111 PolarHBondContact ND2-N 3.42Å; N3014-N3111 PolarHBondContact ND2-OD1 2.99Å
3015	D	34.8	Very low	35.3	Very low	137 Å²	137	65.2 Å²	65.2	73%	0.733	36%	0.357	S	S	*	.	H	α-helix	trans	-70.8	-30.2	179.3	-64.7	-28.8	0	0	0	111.5	S3013 S3019	S3013-D3015 PolarHBondContact O-N 2.82Å; D3015-S3019 WeakPolarHBondContact O-CB 3.26Å; D3015-S3019 PolarHBondContact O-OG 2.79Å
3016	F	35.4	Very low	35.6	Very low	31 Å²	31	65.7 Å²	65.7	14%	0.136	34%	0.344	C	S	.	.	H	α-helix	trans	-74.8	-49.9	-179.1	-167.2	-122.5	0	0	0	111.7	F2998 F3012 S3013 N3014 N3018 S3019 I3020	F2998-F3016 AromaticContact CD1-CD2 3.76Å; F2998-F3016 HydrophobicContact CD1-CD2 3.76Å; F2998-F3016 AromaticContact CD1-CE2 3.59Å; F2998-F3016 HydrophobicContact CD1-CE2 3.59Å; F2998-F3016 HydrophobicContact CD1-CZ 4.35Å; F2998-F3016 HydrophobicContact CE1-CD2 4.05Å; F2998-F3016 HydrophobicContact CE1-CE2 4.03Å; F3012-F3016 HydrophobicContact CD1-CD1 4.01Å; F3012-F3016 HydrophobicContact CD1-CE1 4.39Å; F3012-F3016 HydrophobicContact CE1-CD1 4.43Å; F3012-F3016 HydrophobicContact CE1-CE1 4.38Å; S3013-F3016 PolarHBondContact O-N 3.44Å; S3013-F3016 VanDerWaalsContact O-N 3.08Å; N3014-F3016 VanDerWaalsContact C-N 3.31Å; F3016-N3018 PolarHBondContact O-N 3.31Å; F3016-N3018 VanDerWaalsContact O-N 3.11Å; F3016-S3019 WeakPolarHBondContact CA-OG 3.1Å; F3016-S3019 PolarHBondContact O-N 3.26Å; F3016-S3019 PolarHBondContact O-OG 2.99Å; F3016-I3020 HydrophobicContact CD1-CD1 3.16Å; F3016-I3020 HydrophobicContact CD1-CG1 3.98Å; F3016-I3020 HydrophobicContact CD2-CD1 4.14Å; F3016-I3020 HydrophobicContact CD2-CG1 4.04Å; F3016-I3020 HydrophobicContact CE1-CD1 3.13Å; F3016-I3020 HydrophobicContact CE1-CG1 3.84Å; F3016-I3020 HydrophobicContact CE2-CD1 4.11Å; F3016-I3020 HydrophobicContact CE2-CG1 3.89Å; F3016-I3020 HydrophobicContact CG-CD1 3.69Å; F3016-I3020 HydrophobicContact CG-CG1 4.07Å; F3016-I3020 HydrophobicContact CZ-CD1 3.63Å; F3016-I3020 HydrophobicContact CZ-CG1 3.78Å; F3016-I3020 VanDerWaalsContact O-CG1 3.25Å; F3016-I3020 WeakPolarHBondContact O-CG1 3.35Å; F3016-I3020 PolarHBondContact O-N 3.24Å
3017	M	37.8	Very low	36.2	Very low	36 Å²	36	65.6 Å²	65.6	18%	0.177	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-23	-179.7	-72.7	-63.9	-73.6	0	0	114	F3012 S3013 I3020	F3012-M3017 HydrophobicContact CB-CG 4.25Å; F3012-M3017 HydrophobicContact CD1-SD 4.35Å; F3012-M3017 HydrophobicContact CG-SD 4.49Å; S3013-M3017 PolarHBondContact O-N 3.3Å; M3017-I3020 HydrophobicContact SD-CD1 4.21Å
3018	N	36.2	Very low	36.8	Very low	96 Å²	96	63.6 Å²	63.6	51%	0.513	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-13.7	174.1	-74.2	-43.8	0	0	0	113.8	N3014 F3016	N3014-N3018 PolarHBondContact O-ND2 3.49Å; F3016-N3018 PolarHBondContact O-N 3.31Å; F3016-N3018 VanDerWaalsContact O-N 3.11Å
3019	S	38.8	Very low	37.3	Very low	74 Å²	74	65.8 Å²	65.8	52%	0.517	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-19.2	-176.4	70.2	0	0	0	0	114.4	D3015 F3016 Q3024	D3015-S3019 WeakPolarHBondContact O-CB 3.26Å; D3015-S3019 PolarHBondContact O-OG 2.79Å; F3016-S3019 WeakPolarHBondContact CA-OG 3.1Å; F3016-S3019 PolarHBondContact O-N 3.26Å; F3016-S3019 PolarHBondContact O-OG 2.99Å; S3019-Q3024 PolarHBondContact O-OE1 3.39Å
3020	I	35.7	Very low	37.7	Very low	26 Å²	26	69 Å²	69	13%	0.133	36%	0.362	C	S	.	.			trans	-78.3	122.8	-179.7	-65.2	160.1	0	0	0	110.5	F3016 M3017 Q3024 L3025	F3016-I3020 HydrophobicContact CD1-CD1 3.16Å; F3016-I3020 HydrophobicContact CD1-CG1 3.98Å; F3016-I3020 HydrophobicContact CD2-CD1 4.14Å; F3016-I3020 HydrophobicContact CD2-CG1 4.04Å; F3016-I3020 HydrophobicContact CE1-CD1 3.13Å; F3016-I3020 HydrophobicContact CE1-CG1 3.84Å; F3016-I3020 HydrophobicContact CE2-CD1 4.11Å; F3016-I3020 HydrophobicContact CE2-CG1 3.89Å; F3016-I3020 HydrophobicContact CG-CD1 3.69Å; F3016-I3020 HydrophobicContact CG-CG1 4.07Å; F3016-I3020 HydrophobicContact CZ-CD1 3.63Å; F3016-I3020 HydrophobicContact CZ-CG1 3.78Å; F3016-I3020 VanDerWaalsContact O-CG1 3.25Å; F3016-I3020 WeakPolarHBondContact O-CG1 3.35Å; F3016-I3020 PolarHBondContact O-N 3.24Å; M3017-I3020 HydrophobicContact SD-CD1 4.21Å; I3020-Q3024 HydrophobicContact CG2-CB 3.87Å; I3020-L3025 HydrophobicContact CD1-CD1 4.33Å; I3020-L3025 HydrophobicContact CG2-CB 3.66Å; I3020-L3025 HydrophobicContact CG2-CD1 3.82Å; I3020-L3025 HydrophobicContact CG2-CG 4.38Å; I3020-L3025 VanDerWaalsContact CG2-N 3.34Å
3021	N	38.3	Very low	37.9	Very low	83 Å²	83	72.4 Å²	72.4	44%	0.444	38%	0.379	S	S	.	.			trans	-85	164.8	162.6	65.9	22.4	0	0	0	111.4	I3023 Q3024 L3025	N3021-I3023 PolarHBondContact O-N 3.38Å; N3021-I3023 VanDerWaalsContact O-N 3.09Å; N3021-I3023 PolarHBondContact OD1-N 2.82Å; N3021-Q3024 PolarHBondContact O-N 2.8Å; N3021-Q3024 WeakPolarHBondContact OD1-CB 3.32Å; N3021-Q3024 WeakPolarHBondContact OD1-CG 3.16Å; N3021-Q3024 PolarHBondContact OD1-N 2.65Å; N3021-Q3024 PolarHBondContact OD1-OE1 3.46Å; N3021-L3025 PolarHBondContact O-N 3.32Å
3022	E	38.4	Very low	38	Very low	138 Å²	138	71 Å²	71	65%	0.645	37%	0.371	S	S	*	.	H	α-helix	trans	-52	-35.3	-176.5	-166.9	176.2	-172.4	0	0	113.5	L3025 N3026	E3022-L3025 PolarHBondContact O-N 3.41Å; E3022-N3026 WeakPolarHBondContact O-CB 3.27Å; E3022-N3026 VanDerWaalsContact O-CG 3.3Å; E3022-N3026 PolarHBondContact O-N 3.49Å; E3022-N3026 PolarHBondContact O-ND2 3Å
3023	I	37.9	Very low	38	Very low	111 Å²	111	74.7 Å²	74.7	57%	0.569	39%	0.389	S	S	*	.	H	α-helix	trans	-67.8	-45.1	177.8	-61.8	170.8	0	0	0	111.3	N3021 L3025 N3026 Q3027	N3021-I3023 PolarHBondContact O-N 3.38Å; N3021-I3023 VanDerWaalsContact O-N 3.09Å; N3021-I3023 PolarHBondContact OD1-N 2.82Å; I3023-L3025 VanDerWaalsContact C-N 3.32Å; I3023-N3026 PolarHBondContact O-N 3.27Å; I3023-Q3027 WeakPolarHBondContact O-CB 3.26Å; I3023-Q3027 VanDerWaalsContact O-CG 3.31Å; I3023-Q3027 WeakPolarHBondContact O-CG 3.17Å; I3023-Q3027 PolarHBondContact O-N 3.01Å
3024	Q	39.4	Very low	37.9	Very low	90 Å²	90	76.4 Å²	76.4	42%	0.421	39%	0.393	S	S	.	.	H	α-helix	trans	-67.6	-32.9	177.6	-74.4	167.7	-18.9	0	0	111.9	S3019 I3020 N3021 F3028	S3019-Q3024 PolarHBondContact O-OE1 3.39Å; I3020-Q3024 HydrophobicContact CG2-CB 3.87Å; N3021-Q3024 PolarHBondContact O-N 2.8Å; N3021-Q3024 WeakPolarHBondContact OD1-CB 3.32Å; N3021-Q3024 WeakPolarHBondContact OD1-CG 3.16Å; N3021-Q3024 PolarHBondContact OD1-N 2.65Å; N3021-Q3024 PolarHBondContact OD1-OE1 3.46Å; Q3024-F3028 VanDerWaalsContact O-CB 3.28Å; Q3024-F3028 WeakPolarHBondContact O-CB 3.48Å; Q3024-F3028 PolarHBondContact O-N 2.68Å
3025	L	40.5	Very low	37.8	Very low	22 Å²	22	78.3 Å²	78.3	12%	0.115	40%	0.403	C	S	.	.	H	α-helix	trans	-66.4	-46.2	172.9	-159.5	89.8	0	0	0	110.8	I3020 N3021 E3022 I3023 Q3027 F3028 I3029	I3020-L3025 HydrophobicContact CD1-CD1 4.33Å; I3020-L3025 HydrophobicContact CG2-CB 3.66Å; I3020-L3025 HydrophobicContact CG2-CD1 3.82Å; I3020-L3025 HydrophobicContact CG2-CG 4.38Å; I3020-L3025 VanDerWaalsContact CG2-N 3.34Å; N3021-L3025 PolarHBondContact O-N 3.32Å; E3022-L3025 PolarHBondContact O-N 3.41Å; I3023-L3025 VanDerWaalsContact C-N 3.32Å; L3025-Q3027 VanDerWaalsContact C-N 3.35Å; L3025-Q3027 PolarHBondContact O-N 2.78Å; L3025-F3028 PolarHBondContact O-N 3.47Å; L3025-I3029 HydrophobicContact CD2-CD1 4.1Å; L3025-I3029 HydrophobicContact CG-CD1 4.14Å; L3025-I3029 WeakPolarHBondContact O-CB 3.38Å; L3025-I3029 VanDerWaalsContact O-CG1 3.26Å; L3025-I3029 WeakPolarHBondContact O-CG1 3.22Å; L3025-I3029 PolarHBondContact O-N 3.26Å
3026	N	41.3	Very low	37.6	Very low	72 Å²	72	75.4 Å²	75.4	39%	0.385	39%	0.387	S	S	.	.	H	α-helix	trans	-64.7	-37.5	177.2	-73.7	-21.2	0	0	0	112.3	E3022 I3023 N3030	E3022-N3026 WeakPolarHBondContact O-CB 3.27Å; E3022-N3026 VanDerWaalsContact O-CG 3.3Å; E3022-N3026 PolarHBondContact O-N 3.49Å; E3022-N3026 PolarHBondContact O-ND2 3Å; I3023-N3026 PolarHBondContact O-N 3.27Å; N3026-N3030 WeakPolarHBondContact O-CB 3.33Å; N3026-N3030 VanDerWaalsContact O-CG 3.31Å; N3026-N3030 PolarHBondContact O-N 3.24Å
3027	Q	41.8	Very low	37.4	Very low	113 Å²	113	80.6 Å²	80.6	53%	0.528	41%	0.412	S	S	.	.	H	α-helix	trans	-64.7	-41.5	172.3	-75.3	174.2	-12.9	0	0	111.7	I3023 L3025 N3030 I3031	I3023-Q3027 WeakPolarHBondContact O-CB 3.26Å; I3023-Q3027 VanDerWaalsContact O-CG 3.31Å; I3023-Q3027 WeakPolarHBondContact O-CG 3.17Å; I3023-Q3027 PolarHBondContact O-N 3.01Å; L3025-Q3027 VanDerWaalsContact C-N 3.35Å; L3025-Q3027 PolarHBondContact O-N 2.78Å; Q3027-N3030 PolarHBondContact O-N 3.25Å; Q3027-I3031 WeakPolarHBondContact O-CB 3.38Å; Q3027-I3031 WeakPolarHBondContact O-CD1 3.39Å; Q3027-I3031 WeakPolarHBondContact O-CG1 3.33Å; Q3027-I3031 PolarHBondContact O-N 3.27Å
3028	F	41	Very low	37	Very low	32 Å²	32	84.1 Å²	84.1	14%	0.14	42%	0.423	C	S	.	.	H	α-helix	trans	-67.6	-39.1	177.1	-173.3	-103	0	0	0	112.5	A2999 F3012 Q3024 L3025 I3031 I3032	A2999-F3028 HydrophobicContact CB-CE2 4.29Å; A2999-F3028 HydrophobicContact CB-CZ 3.83Å; F3012-F3028 HydrophobicContact CE1-CD1 4.18Å; F3012-F3028 AromaticContact CE1-CE1 3.47Å; F3012-F3028 HydrophobicContact CE1-CE1 3.47Å; F3012-F3028 VanDerWaalsContact CE1-CE1 3.47Å; F3012-F3028 HydrophobicContact CE1-CZ 4.09Å; F3012-F3028 HydrophobicContact CZ-CD1 4.41Å; F3012-F3028 AromaticContact CZ-CE1 3.7Å; F3012-F3028 HydrophobicContact CZ-CE1 3.7Å; Q3024-F3028 VanDerWaalsContact O-CB 3.28Å; Q3024-F3028 WeakPolarHBondContact O-CB 3.48Å; Q3024-F3028 PolarHBondContact O-N 2.68Å; L3025-F3028 PolarHBondContact O-N 3.47Å; F3028-I3031 PolarHBondContact O-N 3.05Å; F3028-I3032 HydrophobicContact CD1-CD1 3.57Å; F3028-I3032 HydrophobicContact CD1-CG1 4.42Å; F3028-I3032 HydrophobicContact CE1-CD1 3.22Å; F3028-I3032 HydrophobicContact CE1-CG1 4.15Å; F3028-I3032 HydrophobicContact CG-CD1 4.44Å; F3028-I3032 HydrophobicContact CZ-CD1 3.84Å; F3028-I3032 HydrophobicContact CZ-CG1 4.37Å; F3028-I3032 WeakPolarHBondContact O-CG1 2.89Å; F3028-I3032 PolarHBondContact O-N 2.94Å
3029	I	40.2	Very low	36.8	Very low	66 Å²	66	82.5 Å²	82.5	34%	0.338	41%	0.414	S	S	.	.	H	α-helix	trans	-63.5	-42.9	172.9	-69.2	165	0	0	0	110.4	L3025 I3032 H3033	L3025-I3029 HydrophobicContact CD2-CD1 4.1Å; L3025-I3029 HydrophobicContact CG-CD1 4.14Å; L3025-I3029 WeakPolarHBondContact O-CB 3.38Å; L3025-I3029 VanDerWaalsContact O-CG1 3.26Å; L3025-I3029 WeakPolarHBondContact O-CG1 3.22Å; L3025-I3029 PolarHBondContact O-N 3.26Å; I3029-I3032 PolarHBondContact O-N 3.24Å; I3029-H3033 WeakPolarHBondContact O-CB 3.24Å; I3029-H3033 PolarHBondContact O-N 3.19Å
3030	N	39.3	Very low	36.4	Very low	101 Å²	101	81 Å²	81	54%	0.54	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-35.4	174.5	-76.4	-12.1	0	0	0	112.8	N3026 Q3027 H3033 N3034	N3026-N3030 WeakPolarHBondContact O-CB 3.33Å; N3026-N3030 VanDerWaalsContact O-CG 3.31Å; N3026-N3030 PolarHBondContact O-N 3.24Å; Q3027-N3030 PolarHBondContact O-N 3.25Å; N3030-H3033 PolarHBondContact O-N 3.06Å; N3030-N3034 WeakPolarHBondContact O-CB 3.37Å; N3030-N3034 VanDerWaalsContact O-CG 3.29Å; N3030-N3034 PolarHBondContact O-N 2.86Å; N3030-N3034 PolarHBondContact O-ND2 3.2Å
3031	I	36.7	Very low	36	Very low	87 Å²	87	86.3 Å²	86.3	45%	0.446	43%	0.428	S	S	.	.	H	α-helix	trans	-66.1	-46	173.8	-71.4	162.5	0	0	0	110.1	Q3027 F3028 H3033 N3034 D3035	Q3027-I3031 WeakPolarHBondContact O-CB 3.38Å; Q3027-I3031 WeakPolarHBondContact O-CD1 3.39Å; Q3027-I3031 WeakPolarHBondContact O-CG1 3.33Å; Q3027-I3031 PolarHBondContact O-N 3.27Å; F3028-I3031 PolarHBondContact O-N 3.05Å; I3031-H3033 VanDerWaalsContact C-N 3.32Å; I3031-H3033 PolarHBondContact O-N 3.02Å; I3031-N3034 PolarHBondContact O-N 2.77Å; I3031-D3035 VanDerWaalsContact CG2-OD2 3.25Å; I3031-D3035 WeakPolarHBondContact CG2-OD2 3.46Å; I3031-D3035 WeakPolarHBondContact O-CB 3.46Å; I3031-D3035 PolarHBondContact O-N 3.29Å
3032	I	36.6	Very low	35.5	Very low	33 Å²	33	86.4 Å²	86.4	17%	0.169	43%	0.428	C	S	.	.	H	α-helix	trans	-60.1	-42.5	175.2	-70.6	165.6	0	0	0	111	I3010 F3028 I3029 L3036	I3010-I3032 HydrophobicContact CD1-CD1 4.11Å; F3028-I3032 HydrophobicContact CD1-CD1 3.57Å; F3028-I3032 HydrophobicContact CD1-CG1 4.42Å; F3028-I3032 HydrophobicContact CE1-CD1 3.22Å; F3028-I3032 HydrophobicContact CE1-CG1 4.15Å; F3028-I3032 HydrophobicContact CG-CD1 4.44Å; F3028-I3032 HydrophobicContact CZ-CD1 3.84Å; F3028-I3032 HydrophobicContact CZ-CG1 4.37Å; F3028-I3032 WeakPolarHBondContact O-CG1 2.89Å; F3028-I3032 PolarHBondContact O-N 2.94Å; I3029-I3032 PolarHBondContact O-N 3.24Å; I3032-L3036 HydrophobicContact CG2-CD1 3.65Å; I3032-L3036 HydrophobicContact CG2-CG 4.34Å; I3032-L3036 VanDerWaalsContact O-CB 3.26Å; I3032-L3036 WeakPolarHBondContact O-CB 3.06Å; I3032-L3036 VanDerWaalsContact O-CD1 3.32Å; I3032-L3036 WeakPolarHBondContact O-CD1 3.28Å; I3032-L3036 WeakPolarHBondContact O-CG 3.15Å; I3032-L3036 PolarHBondContact O-N 3.14Å
3033	H	36	Very low	35.2	Very low	111 Å²	111	85.1 Å²	85.1	51%	0.514	42%	0.421	S	S	.	.	H	α-helix	trans	-69.4	-34.9	-178.1	-139.8	-53.4	0	0	0	112.8	I3029 N3030 I3031	I3029-H3033 WeakPolarHBondContact O-CB 3.24Å; I3029-H3033 PolarHBondContact O-N 3.19Å; N3030-H3033 PolarHBondContact O-N 3.06Å; I3031-H3033 VanDerWaalsContact C-N 3.32Å; I3031-H3033 PolarHBondContact O-N 3.02Å
3034	N	33.9	Very low	34.8	Very low	105 Å²	105	86 Å²	86	56%	0.561	43%	0.426	S	S	*	.	H	α-helix	trans	-81.7	-35.5	176.4	-72.1	-15.6	0	0	0	112.8	N3030 I3031 L3036 E3037 Y3038	N3030-N3034 WeakPolarHBondContact O-CB 3.37Å; N3030-N3034 VanDerWaalsContact O-CG 3.29Å; N3030-N3034 PolarHBondContact O-N 2.86Å; N3030-N3034 PolarHBondContact O-ND2 3.2Å; I3031-N3034 PolarHBondContact O-N 2.77Å; N3034-L3036 VanDerWaalsContact C-N 3.34Å; N3034-E3037 PolarHBondContact O-N 3.2Å; N3034-Y3038 PolarHBondContact O-N 3.24Å
3035	D	33.5	Very low	34.2	Very low	80 Å²	80	91 Å²	91	43%	0.428	44%	0.442	S	S	.	.	H	α-helix	trans	-72.3	-26.9	175.9	-78	-18.4	0	0	0	111.5	I3031 Y3038 I3039	I3031-D3035 VanDerWaalsContact CG2-OD2 3.25Å; I3031-D3035 WeakPolarHBondContact CG2-OD2 3.46Å; I3031-D3035 WeakPolarHBondContact O-CB 3.46Å; I3031-D3035 PolarHBondContact O-N 3.29Å; D3035-Y3038 PolarHBondContact O-N 2.83Å; D3035-I3039 WeakPolarHBondContact O-CB 3.43Å; D3035-I3039 WeakPolarHBondContact O-CD1 2.95Å; D3035-I3039 WeakPolarHBondContact O-CG1 3.18Å; D3035-I3039 PolarHBondContact O-N 3.11Å
3036	L	31.1	Very low	33.7	Very low	76 Å²	76	94.3 Å²	94.3	40%	0.398	47%	0.466	S	S	.	.	H	α-helix	trans	-67.9	-35.4	173.4	-82.7	164.6	0	0	0	112.9	I3032 N3034 S3040	I3032-L3036 HydrophobicContact CG2-CD1 3.65Å; I3032-L3036 HydrophobicContact CG2-CG 4.34Å; I3032-L3036 VanDerWaalsContact O-CB 3.26Å; I3032-L3036 WeakPolarHBondContact O-CB 3.06Å; I3032-L3036 VanDerWaalsContact O-CD1 3.32Å; I3032-L3036 WeakPolarHBondContact O-CD1 3.28Å; I3032-L3036 WeakPolarHBondContact O-CG 3.15Å; I3032-L3036 PolarHBondContact O-N 3.14Å; N3034-L3036 VanDerWaalsContact C-N 3.34Å; L3036-S3040 PolarHBondContact O-OG 3.41Å
3037	E	31.7	Very low	33.1	Very low	141 Å²	141	97.5 Å²	97.5	66%	0.659	48%	0.483	S	S	*	.	H	α-helix	trans	-67.8	-35.7	169.2	-98.1	-173.1	154.3	0	0	111.8	N3034 S3040	N3034-E3037 PolarHBondContact O-N 3.2Å; E3037-S3040 PolarHBondContact O-OG 3.19Å
3038	Y	29.3	Very low	32.2	Very low	109 Å²	109	101.7 Å²	101.7	43%	0.427	50%	0.495	S	S	.	.	H	α-helix	trans	-77.5	-33.7	-179.5	-157.6	-113.6	0	0	0	113.1	N3034 D3035 S3040 H3041 L3042 F3076	N3034-Y3038 PolarHBondContact O-N 3.24Å; D3035-Y3038 PolarHBondContact O-N 2.83Å; Y3038-S3040 VanDerWaalsContact C-N 3.31Å; Y3038-S3040 PolarHBondContact O-N 2.94Å; Y3038-H3041 WeakPolarHBondContact O-CA 3.41Å; Y3038-H3041 WeakPolarHBondContact O-CB 3.28Å; Y3038-H3041 PolarHBondContact O-N 2.95Å; Y3038-L3042 HydrophobicContact CD1-CD1 3.82Å; Y3038-L3042 HydrophobicContact CE1-CD1 3.49Å; Y3038-L3042 VanDerWaalsContact CE1-CD1 3.49Å; Y3038-L3042 PolarHBondContact O-N 2.62Å; Y3038-F3076 HydrophobicContact CD2-CE2 4.4Å; Y3038-F3076 HydrophobicContact CD2-CZ 4.35Å; Y3038-F3076 AromaticContact CE2-CE2 3.93Å; Y3038-F3076 HydrophobicContact CE2-CE2 3.93Å; Y3038-F3076 HydrophobicContact CE2-CZ 4.15Å
3039	I	31.7	Very low	31.4	Very low	62 Å²	62	106.9 Å²	106.9	32%	0.318	52%	0.524	S	S	.	.	H	α-helix	trans	-59.5	-40.8	174.5	-78.5	162.8	0	0	0	110.9	I3001 D3035 H3041 L3042 F3043	I3001-I3039 HydrophobicContact CD1-CD1 4.49Å; D3035-I3039 WeakPolarHBondContact O-CB 3.43Å; D3035-I3039 WeakPolarHBondContact O-CD1 2.95Å; D3035-I3039 WeakPolarHBondContact O-CG1 3.18Å; D3035-I3039 PolarHBondContact O-N 3.11Å; I3039-H3041 PolarHBondContact O-N 3.28Å; I3039-L3042 PolarHBondContact O-N 2.94Å; I3039-L3042 VanDerWaalsContact O-N 3.14Å; I3039-F3043 HydrophobicContact CG2-CD2 4.49Å; I3039-F3043 WeakPolarHBondContact O-CB 3.05Å; I3039-F3043 PolarHBondContact O-N 3.12Å
3040	S	29.8	Very low	30.5	Very low	44 Å²	44	112.1 Å²	112.1	31%	0.308	55%	0.547	S	S	.	.	H	α-helix	trans	-59	-30	173.8	24.2	0	0	0	0	113.5	L3036 E3037 Y3038	L3036-S3040 PolarHBondContact O-OG 3.41Å; E3037-S3040 PolarHBondContact O-OG 3.19Å; Y3038-S3040 VanDerWaalsContact C-N 3.31Å; Y3038-S3040 PolarHBondContact O-N 2.94Å
3041	H	27.6	Very low	29.6	Very low	136 Å²	136	114.6 Å²	114.6	63%	0.63	56%	0.559	S	S	*	*	H	α-helix	trans	-82.2	-33.4	174.8	-83.9	-65.5	0	0	0	113	Y3038 I3039	Y3038-H3041 WeakPolarHBondContact O-CA 3.41Å; Y3038-H3041 WeakPolarHBondContact O-CB 3.28Å; Y3038-H3041 PolarHBondContact O-N 2.95Å; I3039-H3041 PolarHBondContact O-N 3.28Å
3042	L	28.7	Very low	29	Very low	86 Å²	86	119.8 Å²	119.8	45%	0.45	58%	0.579	S	S	.	*	H	α-helix	trans	-71.9	-34.8	175.9	-120.9	97.8	0	0	0	112.7	Y3038 I3039 L3044 Y3045 C3046	Y3038-L3042 HydrophobicContact CD1-CD1 3.82Å; Y3038-L3042 HydrophobicContact CE1-CD1 3.49Å; Y3038-L3042 VanDerWaalsContact CE1-CD1 3.49Å; Y3038-L3042 PolarHBondContact O-N 2.62Å; I3039-L3042 PolarHBondContact O-N 2.94Å; I3039-L3042 VanDerWaalsContact O-N 3.14Å; L3042-L3044 VanDerWaalsContact C-N 3.27Å; L3042-L3044 PolarHBondContact O-N 3.31Å; L3042-Y3045 PolarHBondContact O-N 3.37Å; L3042-C3046 PolarHBondContact O-N 3.44Å; L3042-C3046 PolarHBondContact O-SG 2.69Å; L3042-C3046 VanDerWaalsContact O-SG 3.4Å
3043	F	30.9	Very low	28.3	Very low	111 Å²	111	125.8 Å²	125.8	49%	0.487	61%	0.612	S	S	.	*	H	α-helix	trans	-64.8	-30.8	179.4	-129.2	-91.7	0	0	0	112.7	I3039 L3047	I3039-F3043 HydrophobicContact CG2-CD2 4.49Å; I3039-F3043 WeakPolarHBondContact O-CB 3.05Å; I3039-F3043 PolarHBondContact O-N 3.12Å; F3043-L3047 HydrophobicContact CD1-CD1 4.17Å
3044	L	30.3	Very low	27.7	Very low	130 Å²	130	126.2 Å²	126.2	68%	0.681	62%	0.616	S	S	*	*	H	α-helix	trans	-73.5	-24.4	172.4	-99.3	146.5	0	0	0	113	L3042	L3042-L3044 VanDerWaalsContact C-N 3.27Å; L3042-L3044 PolarHBondContact O-N 3.31Å
3045	Y	27.2	Very low	27.1	Very low	193 Å²	193	126.6 Å²	126.6	76%	0.757	63%	0.628	S	S	*	*	H	α-helix	trans	-89.5	-29.9	178.9	-140.8	-90.2	0	0	0	112.5	L3042	L3042-Y3045 PolarHBondContact O-N 3.37Å
3046	C	29.2	Very low	26.6	Very low	92 Å²	92	129.4 Å²	129.4	62%	0.622	64%	0.641	S	S	*	*	H	α-helix	trans	-82.1	-18.3	-178.8	-70.7	0	0	0	0	114.7	L3042 Y3048	L3042-C3046 PolarHBondContact O-N 3.44Å; L3042-C3046 PolarHBondContact O-SG 2.69Å; L3042-C3046 VanDerWaalsContact O-SG 3.4Å; C3046-Y3048 VanDerWaalsContact C-N 3.32Å
3047	L	27.7	Very low	26.2	Very low	140 Å²	140	134.3 Å²	134.3	73%	0.733	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-2.2	176.8	-87.9	161.5	0	0	0	114.1	F3043	F3043-L3047 HydrophobicContact CD1-CD1 4.17Å
3048	Y	23.8	Very low	25.8	Very low	201 Å²	201	135.3 Å²	135.3	79%	0.788	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	0.9	-173.5	-123.8	-85	0	0	0	115.8	C3046	C3046-Y3048 VanDerWaalsContact C-N 3.32Å
3049	N	23.2	Very low	25.5	Very low	141 Å²	141	137 Å²	137	75%	0.754	68%	0.678	S	S	*	*			trans	-136.6	114.3	178	-80.1	-39.5	0	0	0	112.5
3050	E	21.3	Very low	25.1	Very low	176 Å²	176	141.4 Å²	141.4	82%	0.822	70%	0.701	S	S	*	*			trans	-59.3	148.5	171.8	-61.7	178.1	143.8	0	0	112.2
3051	L	21.6	Very low	24.8	Very low	152 Å²	152	145.8 Å²	145.8	80%	0.796	72%	0.72	S	S	*	*			trans	60.7	116.7	159.2	-69.7	149.5	0	0	0	117.7
3052	F	23.8	Very low	24.6	Very low	196 Å²	196	145 Å²	145	86%	0.86	73%	0.727	S	S	*	*			trans	-164.4	129.9	130.6	-107.3	-71.2	0	0	0	113.5	I3054	F3052-I3054 HydrophobicContact CD1-CD1 3.63Å; F3052-I3054 HydrophobicContact CD1-CG1 3.73Å; F3052-I3054 HydrophobicContact CE1-CD1 4.09Å; F3052-I3054 HydrophobicContact CE1-CG1 4.4Å; F3052-I3054 HydrophobicContact CG-CD1 4.32Å
3053	N	22.7	Very low	24.3	Very low	160 Å²	160	146.2 Å²	146.2	86%	0.856	73%	0.733	S	S	*	*			trans	-110.5	111.7	176.6	-172.3	15.3	0	0	0	106.5
3054	I	23.6	Very low	23.8	Very low	119 Å²	119	150.5 Å²	150.5	61%	0.61	75%	0.751	S	S	*	*			trans	-149.6	134.1	179.5	-57.1	179.5	0	0	0	110.7	F3052	F3052-I3054 HydrophobicContact CD1-CD1 3.63Å; F3052-I3054 HydrophobicContact CD1-CG1 3.73Å; F3052-I3054 HydrophobicContact CE1-CD1 4.09Å; F3052-I3054 HydrophobicContact CE1-CG1 4.4Å; F3052-I3054 HydrophobicContact CG-CD1 4.32Å
3055	S	20	Very low	23.4	Very low	114 Å²	114	150.3 Å²	150.3	80%	0.797	75%	0.75	S	S	*	*			trans	-131.7	22.8	-178.6	71.3	0	0	0	0	114.7
3056	I	22.5	Very low	23.1	Very low	139 Å²	139	148.4 Å²	148.4	71%	0.713	75%	0.753	S	S	*	*			trans	-124.7	64.4	-160.5	-41.2	-178.2	0	0	0	112.7
3057	F	24.5	Very low	22.9	Very low	179 Å²	179	150.4 Å²	150.4	79%	0.785	76%	0.756	S	S	*	*			trans	-128.1	63.9	161.8	-89.4	-77.1	0	0	0	110.9	L2993	L2993-F3057 WeakPolarHBondContact CD1-O 3.38Å
3058	K	22.4	Very low	22.6	Very low	162 Å²	162	148.6 Å²	148.6	70%	0.704	75%	0.751	S	S	*	*			trans	-86.2	136.9	161	-102.4	-179.4	176.3	176.7	0	108.5
3059	N	22.7	Very low	22.5	Very low	145 Å²	145	147.6 Å²	147.6	78%	0.775	75%	0.751	S	S	*	*			trans	82.9	101.2	175.6	-51.4	-20.6	0	0	0	114.8
3060	I	23.6	Very low	22.6	Very low	153 Å²	153	147.5 Å²	147.5	79%	0.785	75%	0.75	S	S	*	*				-178.7	118.2	129.5	-85.4	148.3	0	0	0	108.2
3061	L	24.1	Very low	22.9	Very low	137 Å²	137	143.9 Å²	143.9	72%	0.717	74%	0.736	S	S	*	*			trans	37.5	135.8	161.8	-82	100	0	0	0	123.4	I3063	L3061-I3063 PolarHBondContact O-N 3.05Å
3062	P	22.1	Very low	23.2	Very low	118 Å²	118	143.6 Å²	143.6	77%	0.766	73%	0.733	S	S	*	*			trans	-82.2	114.7	169.4	34	-27.6	0	0	0	110.3
3063	I	23.1	Very low	23.4	Very low	113 Å²	113	144.3 Å²	144.3	58%	0.579	73%	0.731	S	S	*	*			trans	-95	109.6	168	-53.6	-178.9	0	0	0	108.3	L3061 L3065	L3061-I3063 PolarHBondContact O-N 3.05Å; I3063-L3065 HydrophobicContact CG2-CD1 4.45Å; I3063-L3065 HydrophobicContact CG2-CD2 4Å; I3063-L3065 HydrophobicContact CG2-CG 3.77Å; I3063-L3065 PolarHBondContact O-N 2.86Å
3064	K	20.6	Very low	23.7	Very low	201 Å²	201	142.6 Å²	142.6	87%	0.874	72%	0.718	S	S	*	*			trans	-66	119.7	159.7	-81.4	177.4	173.6	175.6	0	107.8
3065	L	22.5	Very low	24.1	Very low	125 Å²	125	142.6 Å²	142.6	65%	0.654	72%	0.717	S	S	*	*			trans	-120.4	149.3	173.9	-79.5	175.8	0	0	0	112.8	I3063 I3067	I3063-L3065 HydrophobicContact CG2-CD1 4.45Å; I3063-L3065 HydrophobicContact CG2-CD2 4Å; I3063-L3065 HydrophobicContact CG2-CG 3.77Å; I3063-L3065 PolarHBondContact O-N 2.86Å; L3065-I3067 HydrophobicContact CD1-CD1 4.3Å; L3065-I3067 HydrophobicContact CD2-CD1 3.93Å; L3065-I3067 HydrophobicContact CD2-CG1 4.16Å
3066	N	20.9	Very low	24.5	Very low	153 Å²	153	142.4 Å²	142.4	82%	0.818	70%	0.703	S	S	*	*			trans	-148	45.8	-178.6	-158.5	111.9	0	0	0	111.2
3067	I	24.2	Very low	24.9	Very low	135 Å²	135	140.8 Å²	140.8	69%	0.692	69%	0.692	S	S	*	*			trans	-76.3	149.2	-174.9	-63.1	172.9	0	0	0	111.3	L3065	L3065-I3067 HydrophobicContact CD1-CD1 4.3Å; L3065-I3067 HydrophobicContact CD2-CD1 3.93Å; L3065-I3067 HydrophobicContact CD2-CG1 4.16Å
3068	T	22.5	Very low	25.2	Very low	102 Å²	102	139.8 Å²	139.8	63%	0.626	69%	0.69	S	S	*	*			trans	-141.5	139.8	171.5	68.9	0	0	0	0	112.1
3069	K	21.4	Very low	25.7	Very low	179 Å²	179	137 Å²	137	78%	0.778	68%	0.682	S	S	*	*	S	Bend	trans	70.8	164.7	171.5	-38.2	169.7	-170.1	173.7	0	116.4
3070	L	25.3	Very low	26.1	Very low	140 Å²	140	136.9 Å²	136.9	73%	0.733	67%	0.674	S	S	*	*	S	Bend	trans	64.3	174.4	156.4	-67.1	167.7	0	0	0	118.4	I3072	L3070-I3072 PolarHBondContact O-N 3.3Å
3071	N	26.8	Very low	26.5	Very low	99 Å²	99	136.7 Å²	136.7	53%	0.529	67%	0.67	S	S	.	*	S	Bend	trans	55.9	-26.4	171.2	-52.5	100.3	0	0	0	119.6	W3073 E3074	N3071-W3073 PolarHBondContact O-N 3.32Å; N3071-E3074 PolarHBondContact ND2-OE2 2.9Å; N3071-E3074 WeakPolarHBondContact O-CB 3.49Å; N3071-E3074 PolarHBondContact O-N 2.87Å
3072	I	28.4	Very low	26.8	Very low	146 Å²	146	135.2 Å²	135.2	75%	0.749	67%	0.667	S	S	*	*	H	α-helix	trans	-61.5	-30.4	176.4	-58.8	174.5	0	0	0	111.1	L3070 E3074	L3070-I3072 PolarHBondContact O-N 3.3Å; I3072-E3074 VanDerWaalsContact C-N 3.27Å; I3072-E3074 PolarHBondContact O-N 3.37Å
3073	W	28.2	Very low	27.1	Very low	211 Å²	211	133.8 Å²	133.8	80%	0.799	66%	0.656	S	S	*	*	H	α-helix	trans	-71.6	-16	176.1	-144.2	41.2	0	0	0	113.6	N3071	N3071-W3073 PolarHBondContact O-N 3.32Å
3074	E	28.8	Very low	27.3	Very low	125 Å²	125	134.3 Å²	134.3	58%	0.584	66%	0.66	S	S	*	*	H	α-helix	trans	-81.8	-33.9	178.8	-69.4	173.9	152.7	0	0	112	N3071 I3072 F3076 Q3077	N3071-E3074 PolarHBondContact ND2-OE2 2.9Å; N3071-E3074 WeakPolarHBondContact O-CB 3.49Å; N3071-E3074 PolarHBondContact O-N 2.87Å; I3072-E3074 VanDerWaalsContact C-N 3.27Å; I3072-E3074 PolarHBondContact O-N 3.37Å; E3074-F3076 PolarHBondContact O-N 3.42Å; E3074-Q3077 PolarHBondContact O-N 2.94Å
3075	I	31.8	Very low	27.7	Very low	118 Å²	118	129.8 Å²	129.8	61%	0.605	65%	0.654	S	S	*	*	H	α-helix	trans	-67.6	-25.9	174.6	-59.8	175.4	0	0	0	111.1
3076	F	29.1	Very low	28	Very low	111 Å²	111	130.5 Å²	130.5	49%	0.487	66%	0.657	S	S	.	*	H	α-helix	trans	-79.6	-23.9	-178.9	-146.2	-92.4	0	0	0	113.5	Y3038 E3074	Y3038-F3076 HydrophobicContact CD2-CE2 4.4Å; Y3038-F3076 HydrophobicContact CD2-CZ 4.35Å; Y3038-F3076 AromaticContact CE2-CE2 3.93Å; Y3038-F3076 HydrophobicContact CE2-CE2 3.93Å; Y3038-F3076 HydrophobicContact CE2-CZ 4.15Å; E3074-F3076 PolarHBondContact O-N 3.42Å
3077	Q	31.1	Very low	28.2	Very low	105 Å²	105	129.1 Å²	129.1	49%	0.491	65%	0.649	S	S	.	*	H	α-helix	trans	-76.8	-33	177.4	-75.4	-86.9	3.4	0	0	112	E3074 L3079 K3080	E3074-Q3077 PolarHBondContact O-N 2.94Å; Q3077-L3079 PolarHBondContact O-N 3.08Å; Q3077-K3080 PolarHBondContact O-N 2.82Å
3078	E	30.6	Very low	28.3	Very low	157 Å²	157	132.3 Å²	132.3	73%	0.734	66%	0.658	S	S	*	*	H	α-helix	trans	-68.9	-31	176.7	-77.4	-174.9	148.1	0	0	113.1
3079	L	31.7	Very low	28.4	Very low	105 Å²	105	136 Å²	136	55%	0.55	67%	0.666	S	S	.	*	H	α-helix	trans	-81.2	-17.3	178.1	-75.5	163.7	0	0	0	113.8	Q3077 H3081 T3082	Q3077-L3079 PolarHBondContact O-N 3.08Å; L3079-H3081 VanDerWaalsContact C-N 3.31Å; L3079-T3082 PolarHBondContact O-OG1 2.85Å
3080	K	30.9	Very low	28.6	Very low	141 Å²	141	134 Å²	134	61%	0.613	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-15.9	-179.8	-150.4	174.8	-176	179.5	0	113	Q3077	Q3077-K3080 PolarHBondContact O-N 2.82Å
3081	H	33	Very low	28.6	Very low	150 Å²	150	134.9 Å²	134.9	69%	0.694	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-13.2	-179.2	-89.6	-72.2	0	0	0	114.8	L3079	L3079-H3081 VanDerWaalsContact C-N 3.31Å
3082	T	29.8	Very low	28.7	Very low	106 Å²	106	135.8 Å²	135.8	65%	0.65	67%	0.673	S	S	*	*	S	Bend	trans	-99.9	-3.1	-172.9	45.3	0	0	0	0	115.1	L3079	L3079-T3082 PolarHBondContact O-OG1 2.85Å
3083	T	28.9	Very low	28.5	Very low	87 Å²	87	133.4 Å²	133.4	53%	0.534	66%	0.661	S	S	.	*			trans	-121.7	21.1	-169	49.4	0	0	0	0	115.5	S3085	T3083-S3085 PolarHBondContact O-N 3.25Å
3084	N	27.8	Very low	28.5	Very low	124 Å²	124	129.7 Å²	129.7	66%	0.663	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	5.9	178.2	-89.7	-21.8	0	0	0	116.1
3085	S	28.1	Very low	28.5	Very low	107 Å²	107	129.5 Å²	129.5	75%	0.748	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	2	-173.1	55.9	0	0	0	0	116	T3083	T3083-S3085 PolarHBondContact O-N 3.25Å
3086	L	28.4	Very low	28.3	Very low	139 Å²	139	131.2 Å²	131.2	73%	0.728	65%	0.654	S	S	*	*			trans	-109.3	19	-174.3	-80	159.3	0	0	0	115.1	K3088	L3086-K3088 PolarHBondContact O-N 2.82Å
3087	I	26.2	Very low	28.3	Very low	124 Å²	124	130.3 Å²	130.3	64%	0.636	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	6.8	-175.9	-66.4	169.8	0	0	0	114.3
3088	K	25.7	Very low	28.3	Very low	203 Å²	203	128.7 Å²	128.7	88%	0.883	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	5.5	-172.1	-95.5	-177.6	177.1	179.6	0	117.6	L3086	L3086-K3088 PolarHBondContact O-N 2.82Å
3089	F	25	Very low	28.2	Very low	180 Å²	180	126.5 Å²	126.5	79%	0.789	64%	0.639	S	S	*	*			trans	-103.7	26.6	175.9	-103	-87.4	0	0	0	114.4	L3091	F3089-L3091 PolarHBondContact O-N 3.3Å
3090	N	25.5	Very low	28.1	Very low	137 Å²	137	123.6 Å²	123.6	73%	0.733	62%	0.623	S	S	*	*			trans	-71.1	103.5	167.6	-79.6	-19.3	0	0	0	109.5
3091	L	25.6	Very low	28	Very low	157 Å²	157	120.4 Å²	120.4	82%	0.822	61%	0.608	S	S	*	*	S	Bend	trans	170.4	-14	140.8	-92.5	152.7	0	0	0	116.1	F3089	F3089-L3091 PolarHBondContact O-N 3.3Å
3092	N	27.3	Very low	27.9	Very low	119 Å²	119	117.7 Å²	117.7	64%	0.636	59%	0.594	S	S	*	*	S	Bend	trans	-111	-9.4	-176.9	-86.6	-3.7	0	0	0	116.1	Y3096	N3092-Y3096 PolarHBondContact O-N 2.8Å
3093	L	25.6	Very low	27.8	Very low	96 Å²	96	113.4 Å²	113.4	50%	0.503	57%	0.568	S	S	.	*	H	α-helix	trans	-83.1	-29.3	-175	-85.7	156	0	0	0	113.8	Y3096 F3097	L3093-Y3096 CarbonylContact O-C 3.52Å; L3093-Y3096 WeakPolarHBondContact O-CA 3.02Å; L3093-Y3096 VanDerWaalsContact O-CB 3.32Å; L3093-Y3096 WeakPolarHBondContact O-CB 3.39Å; L3093-Y3096 PolarHBondContact O-N 2.81Å; L3093-Y3096 VanDerWaalsContact O-N 3.11Å; L3093-F3097 WeakPolarHBondContact O-CD2 3.46Å; L3093-F3097 PolarHBondContact O-N 3.06Å
3094	I	28.4	Very low	27.9	Very low	132 Å²	132	113 Å²	113	68%	0.677	56%	0.562	S	S	*	*	H	α-helix	trans	-67.4	-39.6	174.8	-62.9	172.8	0	0	0	110.5	Y3096 F3097 D3098	I3094-Y3096 VanDerWaalsContact C-N 3.3Å; I3094-Y3096 PolarHBondContact O-N 3.01Å; I3094-F3097 PolarHBondContact O-N 3.16Å; I3094-D3098 WeakPolarHBondContact O-CB 3.38Å; I3094-D3098 PolarHBondContact O-N 3.22Å
3095	Q	28.6	Very low	28.2	Very low	122 Å²	122	108.4 Å²	108.4	57%	0.57	54%	0.537	S	S	*	.	H	α-helix	trans	-64.5	-33.3	168.9	-83.8	-177.9	-27.7	0	0	112.6	N3099	Q3095-N3099 VanDerWaalsContact O-CB 3.25Å; Q3095-N3099 WeakPolarHBondContact O-CB 3.43Å; Q3095-N3099 VanDerWaalsContact O-CG 3.22Å; Q3095-N3099 PolarHBondContact O-N 3.06Å; Q3095-N3099 VanDerWaalsContact O-N 3.14Å; Q3095-N3099 PolarHBondContact O-ND2 2.9Å
3096	Y	26.9	Very low	28.4	Very low	153 Å²	153	105.6 Å²	105.6	60%	0.6	51%	0.513	S	S	*	.	H	α-helix	trans	-68.3	-36.7	174.4	-138.2	-107.4	0	0	0	111.3	N3092 L3093 I3094 I3100	N3092-Y3096 PolarHBondContact O-N 2.8Å; L3093-Y3096 CarbonylContact O-C 3.52Å; L3093-Y3096 WeakPolarHBondContact O-CA 3.02Å; L3093-Y3096 VanDerWaalsContact O-CB 3.32Å; L3093-Y3096 WeakPolarHBondContact O-CB 3.39Å; L3093-Y3096 PolarHBondContact O-N 2.81Å; L3093-Y3096 VanDerWaalsContact O-N 3.11Å; I3094-Y3096 VanDerWaalsContact C-N 3.3Å; I3094-Y3096 PolarHBondContact O-N 3.01Å; Y3096-I3100 HydrophobicContact CD1-CD1 3.17Å; Y3096-I3100 HydrophobicContact CD1-CG1 4.42Å; Y3096-I3100 HydrophobicContact CE1-CD1 3.24Å; Y3096-I3100 HydrophobicContact CG-CD1 3.99Å; Y3096-I3100 WeakPolarHBondContact O-CB 3.14Å; Y3096-I3100 WeakPolarHBondContact O-CD1 3.46Å; Y3096-I3100 WeakPolarHBondContact O-CG1 3.43Å; Y3096-I3100 PolarHBondContact O-N 3.31Å
3097	F	29.6	Very low	28.5	Very low	93 Å²	93	101.8 Å²	101.8	41%	0.408	49%	0.49	S	S	.	.	H	α-helix	trans	-74.9	-41.2	176.1	-93.5	-89	0	0	0	112.9	L3093 I3094 N3099 I3100 Y3101	L3093-F3097 WeakPolarHBondContact O-CD2 3.46Å; L3093-F3097 PolarHBondContact O-N 3.06Å; I3094-F3097 PolarHBondContact O-N 3.16Å; F3097-N3099 PolarHBondContact O-N 3.46Å; F3097-I3100 PolarHBondContact O-N 3.2Å; F3097-Y3101 AromaticContact CD1-CD2 3.48Å; F3097-Y3101 HydrophobicContact CD1-CD2 3.48Å; F3097-Y3101 VanDerWaalsContact CD1-CD2 3.48Å; F3097-Y3101 AromaticContact CD1-CE2 3.5Å; F3097-Y3101 HydrophobicContact CD1-CE2 3.5Å; F3097-Y3101 VanDerWaalsContact CD1-CE2 3.5Å; F3097-Y3101 AromaticContact CE1-CD2 3.86Å; F3097-Y3101 HydrophobicContact CE1-CD2 3.86Å; F3097-Y3101 AromaticContact CE1-CE2 3.37Å; F3097-Y3101 HydrophobicContact CE1-CE2 3.37Å; F3097-Y3101 HydrophobicContact CG-CD2 4.42Å; F3097-Y3101 HydrophobicContact CZ-CE2 4.31Å; F3097-Y3101 PolarHBondContact O-N 3.45Å
3098	D	30.9	Very low	29	Very low	71 Å²	71	96.3 Å²	96.3	38%	0.38	46%	0.462	S	S	.	.	H	α-helix	trans	-62	-27.2	173.2	-79.4	-20.6	0	0	0	112.4	I3094 K3102	I3094-D3098 WeakPolarHBondContact O-CB 3.38Å; I3094-D3098 PolarHBondContact O-N 3.22Å; D3098-K3102 WeakPolarHBondContact O-CE 3.3Å
3099	N	28.6	Very low	29.4	Very low	111 Å²	111	90.9 Å²	90.9	59%	0.594	44%	0.439	S	S	*	.	H	α-helix	trans	-90.6	-21.9	176.3	-76.1	-22.1	0	0	0	114	Q3006 Q3095 F3097	Q3006-N3099 PolarHBondContact NE2-O 3.28Å; Q3095-N3099 VanDerWaalsContact O-CB 3.25Å; Q3095-N3099 WeakPolarHBondContact O-CB 3.43Å; Q3095-N3099 VanDerWaalsContact O-CG 3.22Å; Q3095-N3099 PolarHBondContact O-N 3.06Å; Q3095-N3099 VanDerWaalsContact O-N 3.14Å; Q3095-N3099 PolarHBondContact O-ND2 2.9Å; F3097-N3099 PolarHBondContact O-N 3.46Å
3100	I	30.3	Very low	29.7	Very low	43 Å²	43	82.7 Å²	82.7	22%	0.221	40%	0.404	C	S	.	.	H	α-helix	trans	-103.8	-20	-173.2	-69.3	172	0	0	0	113.5	Q3006 Y3096 F3097	Q3006-I3100 CarbonylContact C-O 3.57Å; Q3006-I3100 WeakPolarHBondContact CA-O 3.23Å; Q3006-I3100 WeakPolarHBondContact CB-O 3.47Å; Q3006-I3100 WeakPolarHBondContact CG-O 3.27Å; Y3096-I3100 HydrophobicContact CD1-CD1 3.17Å; Y3096-I3100 HydrophobicContact CD1-CG1 4.42Å; Y3096-I3100 HydrophobicContact CE1-CD1 3.24Å; Y3096-I3100 HydrophobicContact CG-CD1 3.99Å; Y3096-I3100 WeakPolarHBondContact O-CB 3.14Å; Y3096-I3100 WeakPolarHBondContact O-CD1 3.46Å; Y3096-I3100 WeakPolarHBondContact O-CG1 3.43Å; Y3096-I3100 PolarHBondContact O-N 3.31Å; F3097-I3100 PolarHBondContact O-N 3.2Å
3101	Y	27.6	Very low	30.2	Very low	75 Å²	75	81 Å²	81	29%	0.294	40%	0.395	S	S	.	.			trans	-130.6	113	179.1	-63.8	-86	0	0	0	111.2	S3008 F3097	S3008-Y3101 WeakPolarHBondContact OG-CD1 3.42Å; S3008-Y3101 WeakPolarHBondContact OG-CE1 3.28Å; F3097-Y3101 AromaticContact CD1-CD2 3.48Å; F3097-Y3101 HydrophobicContact CD1-CD2 3.48Å; F3097-Y3101 VanDerWaalsContact CD1-CD2 3.48Å; F3097-Y3101 AromaticContact CD1-CE2 3.5Å; F3097-Y3101 HydrophobicContact CD1-CE2 3.5Å; F3097-Y3101 VanDerWaalsContact CD1-CE2 3.5Å; F3097-Y3101 AromaticContact CE1-CD2 3.86Å; F3097-Y3101 HydrophobicContact CE1-CD2 3.86Å; F3097-Y3101 AromaticContact CE1-CE2 3.37Å; F3097-Y3101 HydrophobicContact CE1-CE2 3.37Å; F3097-Y3101 HydrophobicContact CG-CD2 4.42Å; F3097-Y3101 HydrophobicContact CZ-CE2 4.31Å; F3097-Y3101 PolarHBondContact O-N 3.45Å
3102	K	30.1	Very low	30.5	Very low	93 Å²	93	76.4 Å²	76.4	40%	0.404	37%	0.373	S	S	.	.			trans	-129.9	-38.7	162.9	-71.2	-174.5	168.6	-177.1	0	111.1	D3098 L3104 H3162	D3098-K3102 WeakPolarHBondContact O-CE 3.3Å; K3102-L3104 PolarHBondContact O-N 3.04Å; K3102-L3104 VanDerWaalsContact O-N 3.15Å; K3102-H3162 HydrophobicContact CD-CB 4.38Å; K3102-H3162 PolarHBondContact NZ-CD2 3.48Å; K3102-H3162 PolarHBondContact NZ-NE2 2.96Å
3103	S	28.9	Very low	30.9	Very low	15 Å²	15	74.8 Å²	74.8	11%	0.105	36%	0.362	C	S	.	.			trans	-83.7	98	178.5	56	0	0	0	0	111.5	Q3007 E3166	Q3007-S3103 WeakPolarHBondContact CG-OG 3.4Å; Q3007-S3103 PolarHBondContact NE2-OG 2.93Å; S3103-E3166 WeakPolarHBondContact CA-OE1 3.35Å; S3103-E3166 WeakPolarHBondContact CB-OE1 3.3Å; S3103-E3166 PolarHBondContact N-OE1 3.15Å
3104	L	30.6	Very low	31.5	Very low	80 Å²	80	77.2 Å²	77.2	42%	0.419	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	112.2	155.9	-176.4	86.3	0	0	0	108.1	K3102 I3106	K3102-L3104 PolarHBondContact O-N 3.04Å; K3102-L3104 VanDerWaalsContact O-N 3.15Å; L3104-I3106 HydrophobicContact CD2-CD1 3.94Å; L3104-I3106 HydrophobicContact CD2-CG1 3.99Å; L3104-I3106 HydrophobicContact CG-CG1 4.28Å
3105	L	34.5	Very low	31.8	Very low	26 Å²	26	76.8 Å²	76.8	14%	0.136	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	103.8	179.7	-154.5	130.7	0	0	0	110	S3008 I3010	S3008-L3105 PolarHBondContact O-N 2.99Å; S3008-L3105 VanDerWaalsContact O-N 3.12Å; I3010-L3105 PolarHBondContact N-O 3.2Å
3106	I	31.6	Very low	32.3	Very low	48 Å²	48	71.7 Å²	71.7	25%	0.246	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110	175.5	-56.8	177	0	0	0	108.2	F3012 L3104 V3108	F3012-I3106 HydrophobicContact CD2-CG2 4.41Å; F3012-I3106 HydrophobicContact CE2-CG2 4.22Å; L3104-I3106 HydrophobicContact CD2-CD1 3.94Å; L3104-I3106 HydrophobicContact CD2-CG1 3.99Å; L3104-I3106 HydrophobicContact CG-CG1 4.28Å; I3106-V3108 HydrophobicContact CG2-CG2 3.98Å
3107	Y	31.9	Very low	32.9	Very low	59 Å²	59	66.5 Å²	66.5	23%	0.231	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.3	176.9	-169.3	-90.9	0	0	0	110.3	I3010 L3011 K3109 W3171	I3010-Y3107 PolarHBondContact O-N 2.97Å; L3011-Y3107 HydrophobicContact CD2-CD1 3.54Å; L3011-Y3107 HydrophobicContact CD2-CE1 4.15Å; L3011-Y3107 HydrophobicContact CD2-CG 4.3Å; Y3107-K3109 HydrophobicContact CD1-CB 4.48Å; Y3107-K3109 HydrophobicContact CE1-CB 3.94Å; Y3107-K3109 HydrophobicContact CE1-CG 4.38Å; Y3107-W3171 HydrophobicContact CD2-CB 4.45Å
3108	V	34.9	Very low	33.3	Very low	9 Å²	9	67.4 Å²	67.4	6%	0.055	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	106	175.4	-173.1	0	0	0	0	109.4	I3106 S3110 I3120	I3106-V3108 HydrophobicContact CG2-CG2 3.98Å; V3108-S3110 VanDerWaalsContact C-N 3.29Å; V3108-S3110 PolarHBondContact O-N 3.17Å; V3108-I3120 HydrophobicContact CB-CD1 4.43Å; V3108-I3120 HydrophobicContact CG1-CD1 3.71Å; V3108-I3120 HydrophobicContact CG1-CG1 4.37Å
3109	K	34.6	Very low	33.9	Very low	89 Å²	89	69.3 Å²	69.3	39%	0.387	34%	0.338	S	S	.	.			trans	-78.3	76.2	175.2	-162.8	171.1	-175.1	169.9	0	110.4	N3014 Y3107	N3014-K3109 PolarHBondContact ND2-O 2.91Å; N3014-K3109 PolarHBondContact OD1-O 2.8Å; Y3107-K3109 HydrophobicContact CD1-CB 4.48Å; Y3107-K3109 HydrophobicContact CE1-CB 3.94Å; Y3107-K3109 HydrophobicContact CE1-CG 4.38Å
3110	S	32.8	Very low	34.6	Very low	8 Å²	8	64.8 Å²	64.8	6%	0.056	31%	0.314	C	S	.	.			trans	-76.9	133.3	178.4	173.5	0	0	0	0	112.1	V3108 S3116	V3108-S3110 VanDerWaalsContact C-N 3.29Å; V3108-S3110 PolarHBondContact O-N 3.17Å; S3110-S3116 PolarHBondContact OG-OG 2.92Å
3111	N	35.4	Very low	35.2	Very low	102 Å²	102	64.8 Å²	64.8	55%	0.545	32%	0.315	S	S	.	.			trans	-126.9	39.4	177	-51.7	137.1	0	0	0	112.6	N3014	N3014-N3111 PolarHBondContact ND2-N 3.42Å; N3014-N3111 PolarHBondContact ND2-OD1 2.99Å
3112	T	31.3	Very low	36.2	Very low	60 Å²	60	65.1 Å²	65.1	37%	0.368	32%	0.322	S	S	.	.	S	Bend	trans	-147.5	150.3	-173.8	45.7	0	0	0	0	113.9	S3116	T3112-S3116 PolarHBondContact O-OG 3.25Å; T3112-S3116 WeakPolarHBondContact OG1-CB 3.14Å; T3112-S3116 PolarHBondContact OG1-OG 3.02Å
3113	Q	36.1	Very low	37	Very low	86 Å²	86	63.7 Å²	63.7	40%	0.402	32%	0.319	S	S	.	.	S	Bend	trans	-69.8	133.6	173.9	-63.6	-171.8	74.1	0	0	112.6	E2299 N3115	E2299-Q3113 HydrophobicContact CB-CG 4.11Å; E2299-Q3113 VanDerWaalsContact CD-CG 3.46Å; E2299-Q3113 HydrophobicContact CG-CG 4.08Å; E2299-Q3113 WeakPolarHBondContact OE2-CG 3.5Å; Q3113-N3115 VanDerWaalsContact C-N 3.29Å; Q3113-N3115 PolarHBondContact O-N 3.14Å
3114	H	38.1	Very low	38	Very low	147 Å²	147	64.2 Å²	64.2	68%	0.681	32%	0.321	S	S	*	.	S	Bend	trans	52.7	-49.1	159.3	-93.3	-68.5	0	0	0	120.4	F3117 Q3118	H3114-F3117 PolarHBondContact O-N 3.41Å; H3114-Q3118 PolarHBondContact O-N 3.38Å
3115	N	34.9	Very low	39	Very low	123 Å²	123	61.8 Å²	61.8	66%	0.658	31%	0.308	S	S	*	.	H	α-helix	trans	-74.1	-29.5	-173	-74.9	-10.8	0	0	0	113.3	Q3113 K3119	Q3113-N3115 VanDerWaalsContact C-N 3.29Å; Q3113-N3115 PolarHBondContact O-N 3.14Å; N3115-K3119 WeakPolarHBondContact O-CB 3.4Å; N3115-K3119 WeakPolarHBondContact O-CG 3.46Å; N3115-K3119 PolarHBondContact O-N 2.98Å
3116	S	39.5	Very low	39.8	Very low	14 Å²	14	62.7 Å²	62.7	10%	0.098	32%	0.316	C	S	.	.	H	α-helix	trans	-70.9	-37.2	172.9	51.5	0	0	0	0	111.6	S3110 T3112 K3119 I3120	S3110-S3116 PolarHBondContact OG-OG 2.92Å; T3112-S3116 PolarHBondContact O-OG 3.25Å; T3112-S3116 WeakPolarHBondContact OG1-CB 3.14Å; T3112-S3116 PolarHBondContact OG1-OG 3.02Å; S3116-K3119 PolarHBondContact O-N 2.95Å; S3116-I3120 WeakPolarHBondContact O-CB 3.41Å; S3116-I3120 WeakPolarHBondContact O-CD1 3.48Å; S3116-I3120 WeakPolarHBondContact O-CG1 3.35Å; S3116-I3120 PolarHBondContact O-N 3.03Å
3117	F	38	Very low	40.7	Very low	44 Å²	44	63.2 Å²	63.2	19%	0.193	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-44.7	178.7	-136.6	-72.9	0	0	0	111.8	H3114 I3120 V3121 I3172 M3289	H3114-F3117 PolarHBondContact O-N 3.41Å; F3117-I3120 PolarHBondContact O-N 2.99Å; F3117-V3121 HydrophobicContact CD1-CG2 4.21Å; F3117-V3121 VanDerWaalsContact O-CG2 3.25Å; F3117-V3121 WeakPolarHBondContact O-CG2 3.15Å; F3117-V3121 PolarHBondContact O-N 3.15Å; F3117-I3172 HydrophobicContact CD1-CD1 4.41Å; F3117-I3172 HydrophobicContact CD2-CG2 4.34Å; F3117-I3172 HydrophobicContact CE1-CD1 3.5Å; F3117-I3172 HydrophobicContact CE2-CB 4.19Å; F3117-I3172 HydrophobicContact CE2-CD1 3.72Å; F3117-I3172 HydrophobicContact CE2-CG1 4.49Å; F3117-I3172 HydrophobicContact CE2-CG2 3.5Å; F3117-I3172 HydrophobicContact CZ-CB 4.17Å; F3117-I3172 HydrophobicContact CZ-CD1 3.1Å; F3117-I3172 HydrophobicContact CZ-CG1 4.15Å; F3117-I3172 HydrophobicContact CZ-CG2 3.98Å; F3117-M3289 HydrophobicContact CD1-CE 3.77Å; F3117-M3289 HydrophobicContact CD2-CE 4.39Å; F3117-M3289 HydrophobicContact CE1-CE 3.05Å; F3117-M3289 HydrophobicContact CE2-CE 3.74Å; F3117-M3289 HydrophobicContact CG-CE 4.38Å; F3117-M3289 HydrophobicContact CZ-CE 3.01Å
3118	Q	39.6	Very low	41.6	Very low	113 Å²	113	60.8 Å²	60.8	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-65.7	-41.6	177.2	-159.4	145.1	-7.3	0	0	111	H3114 I3120 V3121 D3122	H3114-Q3118 PolarHBondContact O-N 3.38Å; Q3118-I3120 PolarHBondContact O-N 3.1Å; Q3118-V3121 PolarHBondContact O-N 2.87Å; Q3118-D3122 VanDerWaalsContact O-CB 3.28Å; Q3118-D3122 WeakPolarHBondContact O-CB 3.42Å; Q3118-D3122 PolarHBondContact O-N 3.23Å; Q3118-D3122 VanDerWaalsContact O-OD2 3.11Å
3119	K	43.5	Very low	42.7	Very low	111 Å²	111	63.4 Å²	63.4	48%	0.483	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-37.4	172	-76.5	-179.1	176.9	-172.4	0	113.8	N3115 S3116 D3122 N3123	N3115-K3119 WeakPolarHBondContact O-CB 3.4Å; N3115-K3119 WeakPolarHBondContact O-CG 3.46Å; N3115-K3119 PolarHBondContact O-N 2.98Å; S3116-K3119 PolarHBondContact O-N 2.95Å; K3119-D3122 PolarHBondContact O-N 3.16Å; K3119-N3123 WeakPolarHBondContact O-CB 3.34Å; K3119-N3123 PolarHBondContact O-N 3.28Å; K3119-N3123 PolarHBondContact O-ND2 3.12Å; K3119-N3123 PolarHBondContact O-OD1 3.08Å
3120	I	42.4	Very low	43.5	Very low	16 Å²	16	65.8 Å²	65.8	8%	0.082	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-45.3	174.7	-69.9	158.8	0	0	0	110.3	V3108 S3116 F3117 Q3118 D3122 N3123 I3124	V3108-I3120 HydrophobicContact CB-CD1 4.43Å; V3108-I3120 HydrophobicContact CG1-CD1 3.71Å; V3108-I3120 HydrophobicContact CG1-CG1 4.37Å; S3116-I3120 WeakPolarHBondContact O-CB 3.41Å; S3116-I3120 WeakPolarHBondContact O-CD1 3.48Å; S3116-I3120 WeakPolarHBondContact O-CG1 3.35Å; S3116-I3120 PolarHBondContact O-N 3.03Å; F3117-I3120 PolarHBondContact O-N 2.99Å; Q3118-I3120 PolarHBondContact O-N 3.1Å; I3120-D3122 VanDerWaalsContact C-N 3.34Å; I3120-N3123 PolarHBondContact O-N 3.16Å; I3120-I3124 HydrophobicContact CG2-CD1 3.93Å; I3120-I3124 WeakPolarHBondContact O-CD1 3.33Å; I3120-I3124 VanDerWaalsContact O-CG1 3.25Å; I3120-I3124 WeakPolarHBondContact O-CG1 3.19Å; I3120-I3124 PolarHBondContact O-N 2.97Å
3121	V	43.6	Very low	44.3	Very low	42 Å²	42	67 Å²	67	26%	0.255	34%	0.336	S	S	.	.	H	α-helix	trans	-64.4	-39.2	176.2	174.9	0	0	0	0	111.5	F3117 Q3118 I3124 N3125	F3117-V3121 HydrophobicContact CD1-CG2 4.21Å; F3117-V3121 VanDerWaalsContact O-CG2 3.25Å; F3117-V3121 WeakPolarHBondContact O-CG2 3.15Å; F3117-V3121 PolarHBondContact O-N 3.15Å; Q3118-V3121 PolarHBondContact O-N 2.87Å; V3121-I3124 PolarHBondContact O-N 3.25Å; V3121-N3125 PolarHBondContact O-N 3.26Å; V3121-N3125 PolarHBondContact O-ND2 3.18Å; V3121-N3125 VanDerWaalsContact O-ND2 3.17Å
3122	D	48.6	Very low	45.3	Very low	82 Å²	82	62.4 Å²	62.4	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-67.3	-38.2	177.1	-67.7	-24.7	0	0	0	111	Q3118 K3119 I3120 N3125 P3126	Q3118-D3122 VanDerWaalsContact O-CB 3.28Å; Q3118-D3122 WeakPolarHBondContact O-CB 3.42Å; Q3118-D3122 PolarHBondContact O-N 3.23Å; Q3118-D3122 VanDerWaalsContact O-OD2 3.11Å; K3119-D3122 PolarHBondContact O-N 3.16Å; I3120-D3122 VanDerWaalsContact C-N 3.34Å; D3122-N3125 PolarHBondContact O-N 3.17Å; D3122-P3126 WeakPolarHBondContact O-CD 3.16Å
3123	N	47.4	Very low	46.7	Very low	63 Å²	63	64.2 Å²	64.2	34%	0.337	32%	0.319	S	S	.	.	H	α-helix	trans	-75.5	-17.6	177.1	-69.1	-9	0	0	0	114.3	K3119 I3120 P3126	K3119-N3123 WeakPolarHBondContact O-CB 3.34Å; K3119-N3123 PolarHBondContact O-N 3.28Å; K3119-N3123 PolarHBondContact O-ND2 3.12Å; K3119-N3123 PolarHBondContact O-OD1 3.08Å; I3120-N3123 PolarHBondContact O-N 3.16Å; N3123-P3126 WeakPolarHBondContact O-CD 3.18Å
3124	I	48.9	Very low	47.5	Very low	26 Å²	26	62.2 Å²	62.2	13%	0.133	31%	0.313	C	S	.	.	H	α-helix	trans	-80.9	-27.4	173.6	-71.4	160.4	0	0	0	111.7	I3120 V3121 L3127 L3128 I3170	I3120-I3124 HydrophobicContact CG2-CD1 3.93Å; I3120-I3124 WeakPolarHBondContact O-CD1 3.33Å; I3120-I3124 VanDerWaalsContact O-CG1 3.25Å; I3120-I3124 WeakPolarHBondContact O-CG1 3.19Å; I3120-I3124 PolarHBondContact O-N 2.97Å; V3121-I3124 PolarHBondContact O-N 3.25Å; I3124-L3127 WeakPolarHBondContact O-CB 3.34Å; I3124-L3127 PolarHBondContact O-N 3.4Å; I3124-L3127 VanDerWaalsContact O-N 3.15Å; I3124-L3128 HydrophobicContact CG2-CD1 3.81Å; I3124-L3128 HydrophobicContact CG2-CG 4.02Å; I3124-L3128 PolarHBondContact O-N 3.38Å; I3124-I3170 HydrophobicContact CD1-CD1 3.51Å
3125	N	52.5	Low	48.1	Very low	29 Å²	29	56.7 Å²	56.7	16%	0.155	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-41.7	-178.9	-66.1	-51.4	0	0	0	113.3	V3121 D3122 L3127 L3128 N3129 K3296	V3121-N3125 PolarHBondContact O-N 3.26Å; V3121-N3125 PolarHBondContact O-ND2 3.18Å; V3121-N3125 VanDerWaalsContact O-ND2 3.17Å; D3122-N3125 PolarHBondContact O-N 3.17Å; N3125-L3127 VanDerWaalsContact C-N 3.33Å; N3125-L3127 PolarHBondContact O-N 2.78Å; N3125-L3128 PolarHBondContact O-N 2.72Å; N3125-N3129 WeakPolarHBondContact O-CB 3.37Å; N3125-N3129 VanDerWaalsContact O-CG 3.29Å; N3125-N3129 PolarHBondContact O-N 2.89Å; N3125-N3129 PolarHBondContact O-ND2 2.97Å; N3125-K3296 PolarHBondContact OD1-NZ 2.71Å
3126	P	51.2	Low	49.3	Very low	46 Å²	46	52.3 Å²	52.3	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-56.5	-41.7	171.6	-27	33.9	0	0	0	113.7	D3122 N3123 N3129 Y3130	D3122-P3126 WeakPolarHBondContact O-CD 3.16Å; N3123-P3126 WeakPolarHBondContact O-CD 3.18Å; P3126-N3129 PolarHBondContact O-N 3.44Å; P3126-Y3130 WeakPolarHBondContact O-CB 3.45Å; P3126-Y3130 PolarHBondContact O-N 3.39Å
3127	L	49.5	Very low	50.3	Low	58 Å²	58	57 Å²	57	30%	0.304	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-46.5	177.9	-178	70.7	0	0	0	111.7	I3124 N3125 Y3130 M3131	I3124-L3127 WeakPolarHBondContact O-CB 3.34Å; I3124-L3127 PolarHBondContact O-N 3.4Å; I3124-L3127 VanDerWaalsContact O-N 3.15Å; N3125-L3127 VanDerWaalsContact C-N 3.33Å; N3125-L3127 PolarHBondContact O-N 2.78Å; L3127-Y3130 PolarHBondContact O-N 2.75Å; L3127-M3131 HydrophobicContact CG-SD 4.45Å; L3127-M3131 WeakPolarHBondContact O-CG 2.99Å; L3127-M3131 PolarHBondContact O-N 2.83Å
3128	L	50.7	Low	50.9	Low	8 Å²	8	59.1 Å²	59.1	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-39.7	177.5	-70.9	172.8	0	0	0	112.1	I3124 N3125 M3131 V3132 M3164 Y3301	I3124-L3128 HydrophobicContact CG2-CD1 3.81Å; I3124-L3128 HydrophobicContact CG2-CG 4.02Å; I3124-L3128 PolarHBondContact O-N 3.38Å; N3125-L3128 PolarHBondContact O-N 2.72Å; L3128-M3131 PolarHBondContact O-N 2.87Å; L3128-V3132 WeakPolarHBondContact O-CB 3.33Å; L3128-V3132 WeakPolarHBondContact O-CG2 3.38Å; L3128-V3132 PolarHBondContact O-N 3.24Å; L3128-M3164 HydrophobicContact CD2-SD 3.92Å; L3128-Y3301 HydrophobicContact CB-CE2 3.97Å; L3128-Y3301 HydrophobicContact CD1-CE2 3.85Å; L3128-Y3301 HydrophobicContact CG-CE2 4.47Å
3129	N	58.5	Low	51.5	Low	65 Å²	65	54.6 Å²	54.6	35%	0.348	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-44	174.4	-76.8	-24.6	0	0	0	111.6	N3125 P3126 V3132 N3133 Y3301	N3125-N3129 WeakPolarHBondContact O-CB 3.37Å; N3125-N3129 VanDerWaalsContact O-CG 3.29Å; N3125-N3129 PolarHBondContact O-N 2.89Å; N3125-N3129 PolarHBondContact O-ND2 2.97Å; P3126-N3129 PolarHBondContact O-N 3.44Å; N3129-V3132 PolarHBondContact O-N 2.84Å; N3129-N3133 VanDerWaalsContact O-CB 3.3Å; N3129-N3133 WeakPolarHBondContact O-CB 3.42Å; N3129-N3133 PolarHBondContact O-N 3.34Å; N3129-N3133 PolarHBondContact O-ND2 3.32Å; N3129-Y3301 PolarHBondContact OD1-OH 3.32Å
3130	Y	51.4	Low	52.2	Low	139 Å²	139	53.7 Å²	53.7	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-48.9	175.8	177.4	-98.6	0	0	0	111.4	P3126 L3127 V3132 N3133 T3134	P3126-Y3130 WeakPolarHBondContact O-CB 3.45Å; P3126-Y3130 PolarHBondContact O-N 3.39Å; L3127-Y3130 PolarHBondContact O-N 2.75Å; Y3130-V3132 PolarHBondContact O-N 2.79Å; Y3130-N3133 PolarHBondContact O-N 3.3Å; Y3130-T3134 WeakPolarHBondContact O-CB 2.92Å; Y3130-T3134 PolarHBondContact O-N 2.87Å; Y3130-T3134 PolarHBondContact O-OG1 2.63Å
3131	M	50.5	Low	52.7	Low	34 Å²	34	57 Å²	57	17%	0.167	29%	0.288	C	S	.	.	H	α-helix	trans	-57.2	-50.6	177.2	-75.9	173.6	46.1	0	0	112	L3127 L3128 N3133 T3134 T3135 F3160 I3167	L3127-M3131 HydrophobicContact CG-SD 4.45Å; L3127-M3131 WeakPolarHBondContact O-CG 2.99Å; L3127-M3131 PolarHBondContact O-N 2.83Å; L3128-M3131 PolarHBondContact O-N 2.87Å; M3131-N3133 PolarHBondContact O-N 3.5Å; M3131-T3134 PolarHBondContact O-N 3.46Å; M3131-T3135 PolarHBondContact O-N 2.85Å; M3131-T3135 PolarHBondContact O-OG1 3.13Å; M3131-F3160 HydrophobicContact CE-CD2 3.96Å; M3131-F3160 HydrophobicContact CE-CE2 4.15Å; M3131-I3167 HydrophobicContact CE-CD1 3.92Å; M3131-I3167 HydrophobicContact SD-CD1 3.85Å
3132	V	55.3	Low	53	Low	4 Å²	4	56.7 Å²	56.7	2%	0.024	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-44.2	-178.6	171.6	0	0	0	0	111.5	L3128 N3129 Y3130 T3134 T3135 I3136 F3160 Y3301 I3305	L3128-V3132 WeakPolarHBondContact O-CB 3.33Å; L3128-V3132 WeakPolarHBondContact O-CG2 3.38Å; L3128-V3132 PolarHBondContact O-N 3.24Å; N3129-V3132 PolarHBondContact O-N 2.84Å; Y3130-V3132 PolarHBondContact O-N 2.79Å; V3132-T3134 VanDerWaalsContact C-N 3.32Å; V3132-T3134 PolarHBondContact O-N 3.34Å; V3132-T3135 PolarHBondContact O-N 2.84Å; V3132-I3136 HydrophobicContact CG1-CD1 3.87Å; V3132-I3136 VanDerWaalsContact O-CG1 3.29Å; V3132-I3136 WeakPolarHBondContact O-CG1 3.38Å; V3132-I3136 PolarHBondContact O-N 3.05Å; V3132-F3160 HydrophobicContact CG2-CE2 4.22Å; V3132-Y3301 HydrophobicContact CB-CD1 4.4Å; V3132-Y3301 HydrophobicContact CG1-CD1 4.43Å; V3132-Y3301 HydrophobicContact CG2-CD1 3.6Å; V3132-Y3301 HydrophobicContact CG2-CE1 4.23Å; V3132-Y3301 HydrophobicContact CG2-CG 4.02Å; V3132-I3305 HydrophobicContact CG1-CD1 4.45Å; V3132-I3305 HydrophobicContact CG1-CG1 4.27Å; V3132-I3305 HydrophobicContact CG2-CD1 4.24Å
3133	N	60.5	Low	53	Low	99 Å²	99	55.3 Å²	55.3	53%	0.529	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-38.3	177.6	-70	-13.5	0	0	0	111.6	N3129 Y3130 M3131 I3136 Q3137	N3129-N3133 VanDerWaalsContact O-CB 3.3Å; N3129-N3133 WeakPolarHBondContact O-CB 3.42Å; N3129-N3133 PolarHBondContact O-N 3.34Å; N3129-N3133 PolarHBondContact O-ND2 3.32Å; Y3130-N3133 PolarHBondContact O-N 3.3Å; M3131-N3133 PolarHBondContact O-N 3.5Å; N3133-I3136 PolarHBondContact O-N 3.42Å; N3133-Q3137 WeakPolarHBondContact O-CB 3.38Å; N3133-Q3137 PolarHBondContact O-N 3.03Å
3134	T	52.8	Low	53.4	Low	44 Å²	44	60.9 Å²	60.9	27%	0.27	30%	0.302	S	S	.	.	H	α-helix	trans	-66.4	-41.1	176.1	-49.5	0	0	0	0	110.8	Y3130 M3131 V3132 Q3137 K3138	Y3130-T3134 WeakPolarHBondContact O-CB 2.92Å; Y3130-T3134 PolarHBondContact O-N 2.87Å; Y3130-T3134 PolarHBondContact O-OG1 2.63Å; M3131-T3134 PolarHBondContact O-N 3.46Å; V3132-T3134 VanDerWaalsContact C-N 3.32Å; V3132-T3134 PolarHBondContact O-N 3.34Å; T3134-Q3137 PolarHBondContact O-N 2.92Å; T3134-K3138 HydrophobicContact CG2-CG 4.36Å; T3134-K3138 WeakPolarHBondContact O-CB 3.1Å; T3134-K3138 VanDerWaalsContact O-CG 3.23Å; T3134-K3138 WeakPolarHBondContact O-CG 3.2Å; T3134-K3138 PolarHBondContact O-N 3.29Å
3135	T	50.9	Low	53.7	Low	30 Å²	30	62.9 Å²	62.9	18%	0.184	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-42.5	174.5	-50.4	0	0	0	0	111.6	M3131 V3132 S3139	M3131-T3135 PolarHBondContact O-N 2.85Å; M3131-T3135 PolarHBondContact O-OG1 3.13Å; V3132-T3135 PolarHBondContact O-N 2.84Å; T3135-S3139 VanDerWaalsContact O-CB 3.28Å; T3135-S3139 WeakPolarHBondContact O-CB 3.45Å; T3135-S3139 PolarHBondContact O-N 3.06Å; T3135-S3139 PolarHBondContact O-OG 2.93Å
3136	I	59.6	Low	53.5	Low	32 Å²	32	63.5 Å²	63.5	16%	0.164	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-53.6	175.9	-70	165.4	0	0	0	110.4	V3132 N3133 K3138 S3139 E3140 Y3308	V3132-I3136 HydrophobicContact CG1-CD1 3.87Å; V3132-I3136 VanDerWaalsContact O-CG1 3.29Å; V3132-I3136 WeakPolarHBondContact O-CG1 3.38Å; V3132-I3136 PolarHBondContact O-N 3.05Å; N3133-I3136 PolarHBondContact O-N 3.42Å; I3136-K3138 VanDerWaalsContact C-N 3.29Å; I3136-K3138 PolarHBondContact O-N 2.9Å; I3136-S3139 WeakPolarHBondContact CA-OG 3.25Å; I3136-S3139 PolarHBondContact O-N 2.91Å; I3136-S3139 VanDerWaalsContact O-N 3.09Å; I3136-S3139 PolarHBondContact O-OG 3.23Å; I3136-E3140 WeakPolarHBondContact O-CG 3.32Å; I3136-E3140 PolarHBondContact O-N 3.32Å; I3136-Y3308 HydrophobicContact CG1-CD2 4.4Å; I3136-Y3308 HydrophobicContact CG1-CE2 4.07Å; I3136-Y3308 HydrophobicContact CG2-CE1 4.25Å; I3136-Y3308 HydrophobicContact CG2-CE2 4.02Å; I3136-Y3308 WeakPolarHBondContact CG2-OH 3.37Å
3137	Q	60.2	Low	53.3	Low	113 Å²	113	67.3 Å²	67.3	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-57.9	-42.8	179.8	-175.7	-178.5	-5.5	0	0	111.7	N3133 T3134 E3140 E3141	N3133-Q3137 WeakPolarHBondContact O-CB 3.38Å; N3133-Q3137 PolarHBondContact O-N 3.03Å; T3134-Q3137 PolarHBondContact O-N 2.92Å; Q3137-E3140 PolarHBondContact O-N 3.03Å; Q3137-E3141 PolarHBondContact O-N 3.45Å
3138	K	52.5	Low	53.3	Low	88 Å²	88	70.7 Å²	70.7	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-67.4	-40.7	176.4	-74.8	-72.8	166.5	-156.3	0	111.8	T3134 I3136 E3140 E3141 F3142	T3134-K3138 HydrophobicContact CG2-CG 4.36Å; T3134-K3138 WeakPolarHBondContact O-CB 3.1Å; T3134-K3138 VanDerWaalsContact O-CG 3.23Å; T3134-K3138 WeakPolarHBondContact O-CG 3.2Å; T3134-K3138 PolarHBondContact O-N 3.29Å; I3136-K3138 VanDerWaalsContact C-N 3.29Å; I3136-K3138 PolarHBondContact O-N 2.9Å; K3138-E3140 VanDerWaalsContact C-N 3.29Å; K3138-E3140 PolarHBondContact O-N 3.32Å; K3138-E3141 IonicContact NZ-OE2 3.14Å; K3138-E3141 PolarHBondContact NZ-OE2 3.49Å; K3138-E3141 PolarHBondContact O-N 3.12Å; K3138-F3142 VanDerWaalsContact C-CD2 3.45Å; K3138-F3142 HydrophobicContact CB-CD2 4.1Å; K3138-F3142 HydrophobicContact CB-CE2 3.69Å; K3138-F3142 HydrophobicContact CB-CZ 4.47Å; K3138-F3142 HydrophobicContact CD-CE2 4.15Å; K3138-F3142 HydrophobicContact CD-CZ 4.11Å; K3138-F3142 HydrophobicContact CG-CE2 4.43Å; K3138-F3142 VanDerWaalsContact O-CB 3.26Å; K3138-F3142 WeakPolarHBondContact O-CB 3.5Å; K3138-F3142 WeakPolarHBondContact O-CD2 3.3Å; K3138-F3142 WeakPolarHBondContact O-CG 3.39Å; K3138-F3142 PolarHBondContact O-N 3.41Å
3139	S	51.4	Low	52.8	Low	17 Å²	17	70.6 Å²	70.6	12%	0.119	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-36.3	175.6	70.7	0	0	0	0	112.7	T3135 I3136 F3142 S3143 Y3308	T3135-S3139 VanDerWaalsContact O-CB 3.28Å; T3135-S3139 WeakPolarHBondContact O-CB 3.45Å; T3135-S3139 PolarHBondContact O-N 3.06Å; T3135-S3139 PolarHBondContact O-OG 2.93Å; I3136-S3139 WeakPolarHBondContact CA-OG 3.25Å; I3136-S3139 PolarHBondContact O-N 2.91Å; I3136-S3139 VanDerWaalsContact O-N 3.09Å; I3136-S3139 PolarHBondContact O-OG 3.23Å; S3139-F3142 PolarHBondContact O-N 2.94Å; S3139-S3143 PolarHBondContact O-N 2.82Å; S3139-Y3308 VanDerWaalsContact OG-CD1 3.26Å; S3139-Y3308 WeakPolarHBondContact OG-CD1 3.44Å
3140	E	59.1	Low	51.9	Low	92 Å²	92	69.2 Å²	69.2	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-69.5	-41	173.6	-70.5	176.3	-179	0	0	111.9	I3136 Q3137 K3138 F3142 S3143 Y3308	I3136-E3140 WeakPolarHBondContact O-CG 3.32Å; I3136-E3140 PolarHBondContact O-N 3.32Å; Q3137-E3140 PolarHBondContact O-N 3.03Å; K3138-E3140 VanDerWaalsContact C-N 3.29Å; K3138-E3140 PolarHBondContact O-N 3.32Å; E3140-F3142 VanDerWaalsContact C-N 3.27Å; E3140-F3142 PolarHBondContact O-N 2.93Å; E3140-S3143 PolarHBondContact O-OG 3.06Å; E3140-Y3308 HydrophobicContact CG-CD1 4.47Å; E3140-Y3308 HydrophobicContact CG-CE1 3.72Å; E3140-Y3308 PolarHBondContact OE1-OH 2.84Å
3141	E	52.7	Low	51.5	Low	86 Å²	86	70.5 Å²	70.5	40%	0.402	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-37	170.8	-77.3	179.5	173.9	0	0	111.9	Q3137 K3138 K3144	Q3137-E3141 PolarHBondContact O-N 3.45Å; K3138-E3141 IonicContact NZ-OE2 3.14Å; K3138-E3141 PolarHBondContact NZ-OE2 3.49Å; K3138-E3141 PolarHBondContact O-N 3.12Å; E3141-K3144 WeakPolarHBondContact O-CB 3.38Å; E3141-K3144 PolarHBondContact O-N 3.49Å
3142	F	48.5	Very low	51	Low	36 Å²	36	72.4 Å²	72.4	16%	0.158	36%	0.36	C	S	.	.	H	α-helix	trans	-77.6	-27.9	-177.5	-74.1	-37.5	0	0	0	114.4	K3138 S3139 E3140 K3144 D3145 G3149 L3152	K3138-F3142 VanDerWaalsContact C-CD2 3.45Å; K3138-F3142 HydrophobicContact CB-CD2 4.1Å; K3138-F3142 HydrophobicContact CB-CE2 3.69Å; K3138-F3142 HydrophobicContact CB-CZ 4.47Å; K3138-F3142 HydrophobicContact CD-CE2 4.15Å; K3138-F3142 HydrophobicContact CD-CZ 4.11Å; K3138-F3142 HydrophobicContact CG-CE2 4.43Å; K3138-F3142 VanDerWaalsContact O-CB 3.26Å; K3138-F3142 WeakPolarHBondContact O-CB 3.5Å; K3138-F3142 WeakPolarHBondContact O-CD2 3.3Å; K3138-F3142 WeakPolarHBondContact O-CG 3.39Å; K3138-F3142 PolarHBondContact O-N 3.41Å; S3139-F3142 PolarHBondContact O-N 2.94Å; E3140-F3142 VanDerWaalsContact C-N 3.27Å; E3140-F3142 PolarHBondContact O-N 2.93Å; F3142-K3144 PolarHBondContact O-N 2.68Å; F3142-K3144 VanDerWaalsContact O-N 3.11Å; F3142-D3145 CarbonylContact O-C 3.58Å; F3142-D3145 PolarHBondContact O-N 2.79Å; F3142-D3145 VanDerWaalsContact O-N 3.15Å; F3142-G3149 VanDerWaalsContact CB-CA 3.47Å; F3142-L3152 HydrophobicContact CD1-CB 4Å; F3142-L3152 HydrophobicContact CD1-CD1 4.02Å; F3142-L3152 HydrophobicContact CD2-CB 4.08Å; F3142-L3152 HydrophobicContact CE1-CB 3.57Å; F3142-L3152 HydrophobicContact CE1-CD1 3.22Å; F3142-L3152 HydrophobicContact CE1-CD2 4.47Å; F3142-L3152 HydrophobicContact CE1-CG 3.88Å; F3142-L3152 HydrophobicContact CE2-CB 3.6Å; F3142-L3152 HydrophobicContact CG-CB 4.3Å; F3142-L3152 HydrophobicContact CZ-CB 3.35Å; F3142-L3152 HydrophobicContact CZ-CD1 3.63Å; F3142-L3152 HydrophobicContact CZ-CD2 4.03Å; F3142-L3152 HydrophobicContact CZ-CG 3.83Å
3143	S	49.1	Very low	50.3	Low	52 Å²	52	72.9 Å²	72.9	36%	0.364	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.3	171.5	71.9	0	0	0	0	113.7	S3139 E3140	S3139-S3143 PolarHBondContact O-N 2.82Å; E3140-S3143 PolarHBondContact O-OG 3.06Å
3144	K	55	Low	49.2	Very low	181 Å²	181	72.8 Å²	72.8	79%	0.787	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-17.9	177.6	-63	179.8	-179.6	175	0	114	E3141 F3142	E3141-K3144 WeakPolarHBondContact O-CB 3.38Å; E3141-K3144 PolarHBondContact O-N 3.49Å; F3142-K3144 PolarHBondContact O-N 2.68Å; F3142-K3144 VanDerWaalsContact O-N 3.11Å
3145	D	56.6	Low	48.7	Very low	68 Å²	68	74.4 Å²	74.4	36%	0.364	37%	0.366	S	S	.	.	S	Bend	trans	-140.1	81.4	-176.2	-163.8	-5.1	0	0	0	109	F3142 I3147 K3148 G3149	F3142-D3145 CarbonylContact O-C 3.58Å; F3142-D3145 PolarHBondContact O-N 2.79Å; F3142-D3145 VanDerWaalsContact O-N 3.15Å; D3145-I3147 PolarHBondContact O-N 3.26Å; D3145-K3148 HydrophobicContact CB-CB 4.27Å; D3145-K3148 PolarHBondContact O-N 2.89Å; D3145-K3148 WeakPolarHBondContact OD2-CD 3.19Å; D3145-K3148 WeakPolarHBondContact OD2-CG 3.34Å; D3145-K3148 IonicContact OD2-NZ 2.71Å; D3145-K3148 PolarHBondContact OD2-NZ 3.4Å; D3145-G3149 PolarHBondContact O-N 2.93Å
3146	S	47.5	Very low	48.3	Very low	41 Å²	41	74.7 Å²	74.7	29%	0.287	37%	0.371	S	S	.	.	H	α-helix	trans	-52.6	-31.6	-164	56.6	0	0	0	0	115.3	L3150 M3319	S3146-L3150 WeakPolarHBondContact O-CB 3.34Å; S3146-L3150 PolarHBondContact O-N 3.03Å; S3146-M3319 WeakPolarHBondContact OG-CE 3.29Å
3147	I	48.3	Very low	47.5	Very low	127 Å²	127	75.4 Å²	75.4	65%	0.651	38%	0.375	S	S	*	.	H	α-helix	trans	-82.4	-41.2	-179.7	-62.8	173.5	0	0	0	111.4	D3145 G3149	D3145-I3147 PolarHBondContact O-N 3.26Å; I3147-G3149 VanDerWaalsContact C-N 3.34Å
3148	K	47.8	Very low	46.7	Very low	128 Å²	128	73.9 Å²	73.9	56%	0.557	37%	0.37	S	S	*	.	H	α-helix	trans	-68.9	-38.6	173.1	-71	-157.5	-167.5	99.7	0	110.9	D3145 L3150 K3151 L3152	D3145-K3148 HydrophobicContact CB-CB 4.27Å; D3145-K3148 PolarHBondContact O-N 2.89Å; D3145-K3148 WeakPolarHBondContact OD2-CD 3.19Å; D3145-K3148 WeakPolarHBondContact OD2-CG 3.34Å; D3145-K3148 IonicContact OD2-NZ 2.71Å; D3145-K3148 PolarHBondContact OD2-NZ 3.4Å; K3148-L3150 VanDerWaalsContact C-N 3.3Å; K3148-L3150 PolarHBondContact O-N 3.33Å; K3148-K3151 PolarHBondContact O-N 3.08Å; K3148-L3152 HydrophobicContact CB-CD1 4.45Å; K3148-L3152 WeakPolarHBondContact O-CB 3.34Å; K3148-L3152 WeakPolarHBondContact O-CD1 3.4Å; K3148-L3152 PolarHBondContact O-N 2.79Å
3149	G	40.3	Very low	46	Very low	6 Å²	6	71.9 Å²	71.9	6%	0.062	37%	0.37	C	S	.	.	H	α-helix	trans	-64.6	-33.4	178.8	0	0	0	0	0	113.1	F3142 D3145 I3147 S3153	F3142-G3149 VanDerWaalsContact CB-CA 3.47Å; D3145-G3149 PolarHBondContact O-N 2.93Å; I3147-G3149 VanDerWaalsContact C-N 3.34Å; G3149-S3153 WeakPolarHBondContact O-CA 3.39Å; G3149-S3153 WeakPolarHBondContact O-CB 3.44Å; G3149-S3153 PolarHBondContact O-N 3.36Å; G3149-S3153 PolarHBondContact O-OG 2.72Å
3150	L	41	Very low	45.6	Very low	36 Å²	36	72 Å²	72	19%	0.188	37%	0.368	C	S	.	.	H	α-helix	trans	-66.7	-45.9	175.7	-124.4	147.1	0	0	0	113.1	S3146 K3148 S3153 F3154 Q3316 M3319	S3146-L3150 WeakPolarHBondContact O-CB 3.34Å; S3146-L3150 PolarHBondContact O-N 3.03Å; K3148-L3150 VanDerWaalsContact C-N 3.3Å; K3148-L3150 PolarHBondContact O-N 3.33Å; L3150-S3153 PolarHBondContact O-OG 3.43Å; L3150-S3153 VanDerWaalsContact O-OG 3.09Å; L3150-F3154 HydrophobicContact CD2-CD2 4.4Å; L3150-F3154 HydrophobicContact CD2-CE2 4.37Å; L3150-F3154 WeakPolarHBondContact O-CD2 3.42Å; L3150-F3154 PolarHBondContact O-N 3.49Å; L3150-Q3316 HydrophobicContact CD1-CG 3.84Å; L3150-Q3316 HydrophobicContact CD2-CG 3.59Å; L3150-Q3316 HydrophobicContact CG-CG 3.72Å; L3150-M3319 HydrophobicContact CD1-SD 4.31Å
3151	K	41.7	Very low	45	Very low	166 Å²	166	72.9 Å²	72.9	72%	0.722	37%	0.368	S	S	*	.	H	α-helix	trans	-70.3	-40.4	178.7	-116.1	177.8	179.2	178.4	0	112.2	K3148 N3155	K3148-K3151 PolarHBondContact O-N 3.08Å; K3151-N3155 PolarHBondContact O-N 3.49Å
3152	L	39.5	Very low	44.3	Very low	75 Å²	75	71.8 Å²	71.8	39%	0.393	36%	0.363	S	S	.	.	H	α-helix	trans	-80.2	-27.8	-178.5	-76.6	152.8	0	0	0	112.8	F3142 K3148 A3156	F3142-L3152 HydrophobicContact CD1-CB 4Å; F3142-L3152 HydrophobicContact CD1-CD1 4.02Å; F3142-L3152 HydrophobicContact CD2-CB 4.08Å; F3142-L3152 HydrophobicContact CE1-CB 3.57Å; F3142-L3152 HydrophobicContact CE1-CD1 3.22Å; F3142-L3152 HydrophobicContact CE1-CD2 4.47Å; F3142-L3152 HydrophobicContact CE1-CG 3.88Å; F3142-L3152 HydrophobicContact CE2-CB 3.6Å; F3142-L3152 HydrophobicContact CG-CB 4.3Å; F3142-L3152 HydrophobicContact CZ-CB 3.35Å; F3142-L3152 HydrophobicContact CZ-CD1 3.63Å; F3142-L3152 HydrophobicContact CZ-CD2 4.03Å; F3142-L3152 HydrophobicContact CZ-CG 3.83Å; K3148-L3152 HydrophobicContact CB-CD1 4.45Å; K3148-L3152 WeakPolarHBondContact O-CB 3.34Å; K3148-L3152 WeakPolarHBondContact O-CD1 3.4Å; K3148-L3152 PolarHBondContact O-N 2.79Å; L3152-A3156 WeakPolarHBondContact O-CB 3.47Å; L3152-A3156 PolarHBondContact O-N 2.9Å
3153	S	40.5	Very low	43.7	Very low	13 Å²	13	72.3 Å²	72.3	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-71.1	-39.6	173	54.9	0	0	0	0	112.6	G3149 L3150 A3156 L3157	G3149-S3153 WeakPolarHBondContact O-CA 3.39Å; G3149-S3153 WeakPolarHBondContact O-CB 3.44Å; G3149-S3153 PolarHBondContact O-N 3.36Å; G3149-S3153 PolarHBondContact O-OG 2.72Å; L3150-S3153 PolarHBondContact O-OG 3.43Å; L3150-S3153 VanDerWaalsContact O-OG 3.09Å; S3153-A3156 PolarHBondContact O-N 3.08Å; S3153-L3157 WeakPolarHBondContact O-CB 3.5Å; S3153-L3157 PolarHBondContact O-N 3.35Å
3154	F	39.3	Very low	43.2	Very low	97 Å²	97	70 Å²	70	43%	0.425	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-48.4	171.2	-97.6	-74.8	0	0	0	111.2	L3150 A3156 L3157 D3158	L3150-F3154 HydrophobicContact CD2-CD2 4.4Å; L3150-F3154 HydrophobicContact CD2-CE2 4.37Å; L3150-F3154 WeakPolarHBondContact O-CD2 3.42Å; L3150-F3154 PolarHBondContact O-N 3.49Å; F3154-A3156 PolarHBondContact O-N 3.49Å; F3154-L3157 PolarHBondContact O-N 3.26Å; F3154-D3158 VanDerWaalsContact O-CB 3.29Å; F3154-D3158 WeakPolarHBondContact O-CB 3.47Å; F3154-D3158 PolarHBondContact O-N 3.02Å
3155	N	41.7	Very low	42.1	Very low	79 Å²	79	64.5 Å²	64.5	42%	0.422	34%	0.336	S	S	.	.	H	α-helix	trans	-66.7	-37.3	178.2	-72.4	8.4	0	0	0	112.8	K3151 L3157 A3159	K3151-N3155 PolarHBondContact O-N 3.49Å; N3155-L3157 VanDerWaalsContact C-N 3.34Å; N3155-A3159 WeakPolarHBondContact O-CA 3.44Å; N3155-A3159 WeakPolarHBondContact O-CB 3.33Å; N3155-A3159 PolarHBondContact O-N 3.3Å
3156	A	41.4	Very low	40.8	Very low	36 Å²	36	63.2 Å²	63.2	30%	0.298	33%	0.328	S	S	.	.	H	α-helix	trans	-71	-31.5	177.4	0	0	0	0	0	112	L3152 S3153 F3154 F3160	L3152-A3156 WeakPolarHBondContact O-CB 3.47Å; L3152-A3156 PolarHBondContact O-N 2.9Å; S3153-A3156 PolarHBondContact O-N 3.08Å; F3154-A3156 PolarHBondContact O-N 3.49Å; A3156-F3160 WeakPolarHBondContact O-CA 3.07Å; A3156-F3160 WeakPolarHBondContact O-CB 3.13Å; A3156-F3160 PolarHBondContact O-N 2.85Å
3157	L	43.7	Very low	40.1	Very low	47 Å²	47	62.7 Å²	62.7	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-84	-36.2	178.9	-156.6	134.6	0	0	0	111.7	S3153 F3154 N3155 F3160 W3161 Y3309	S3153-L3157 WeakPolarHBondContact O-CB 3.5Å; S3153-L3157 PolarHBondContact O-N 3.35Å; F3154-L3157 PolarHBondContact O-N 3.26Å; N3155-L3157 VanDerWaalsContact C-N 3.34Å; L3157-F3160 PolarHBondContact O-N 2.86Å; L3157-W3161 WeakPolarHBondContact O-CA 3.09Å; L3157-W3161 WeakPolarHBondContact O-CB 3.48Å; L3157-W3161 PolarHBondContact O-N 2.82Å; L3157-Y3309 HydrophobicContact CD1-CD2 3.32Å; L3157-Y3309 HydrophobicContact CD1-CE2 3.69Å; L3157-Y3309 HydrophobicContact CD1-CG 4.18Å; L3157-Y3309 HydrophobicContact CD2-CE2 4.11Å
3158	D	42.8	Very low	39.1	Very low	81 Å²	81	58.6 Å²	58.6	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-66.2	-40.4	167.3	-84.5	-16.8	0	0	0	110.9	F3154 W3161 H3162	F3154-D3158 VanDerWaalsContact O-CB 3.29Å; F3154-D3158 WeakPolarHBondContact O-CB 3.47Å; F3154-D3158 PolarHBondContact O-N 3.02Å; D3158-W3161 PolarHBondContact O-N 3.38Å; D3158-H3162 WeakPolarHBondContact O-CA 3.37Å; D3158-H3162 WeakPolarHBondContact O-CB 3.44Å; D3158-H3162 PolarHBondContact O-CD2 3.31Å; D3158-H3162 VanDerWaalsContact O-CD2 3.28Å; D3158-H3162 PolarHBondContact O-N 2.74Å
3159	A	38.1	Very low	38.1	Very low	45 Å²	45	53.8 Å²	53.8	37%	0.372	28%	0.28	S	S	.	.	H	α-helix	trans	-68.6	-40.3	173.3	0	0	0	0	0	111.2	N3155 S3163	N3155-A3159 WeakPolarHBondContact O-CA 3.44Å; N3155-A3159 WeakPolarHBondContact O-CB 3.33Å; N3155-A3159 PolarHBondContact O-N 3.3Å; A3159-S3163 WeakPolarHBondContact O-CA 2.8Å; A3159-S3163 WeakPolarHBondContact O-CB 3.21Å; A3159-S3163 PolarHBondContact O-N 2.98Å; A3159-S3163 PolarHBondContact O-OG 3.36Å
3160	F	44	Very low	37.6	Very low	20 Å²	20	55.6 Å²	55.6	9%	0.088	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-42.2	172.9	178	-98.1	0	0	0	110.8	M3131 V3132 A3156 L3157 M3164 I3305	M3131-F3160 HydrophobicContact CE-CD2 3.96Å; M3131-F3160 HydrophobicContact CE-CE2 4.15Å; V3132-F3160 HydrophobicContact CG2-CE2 4.22Å; A3156-F3160 WeakPolarHBondContact O-CA 3.07Å; A3156-F3160 WeakPolarHBondContact O-CB 3.13Å; A3156-F3160 PolarHBondContact O-N 2.85Å; L3157-F3160 PolarHBondContact O-N 2.86Å; F3160-M3164 HydrophobicContact CD1-CG 4.17Å; F3160-M3164 HydrophobicContact CD2-CG 4.27Å; F3160-M3164 HydrophobicContact CE1-CE 3.92Å; F3160-M3164 HydrophobicContact CE1-CG 3.98Å; F3160-M3164 HydrophobicContact CE2-CE 4.36Å; F3160-M3164 HydrophobicContact CE2-CG 4.08Å; F3160-M3164 HydrophobicContact CE2-SD 4.29Å; F3160-M3164 HydrophobicContact CG-CG 4.31Å; F3160-M3164 HydrophobicContact CZ-CE 3.6Å; F3160-M3164 HydrophobicContact CZ-CG 3.94Å; F3160-M3164 HydrophobicContact CZ-SD 4.09Å; F3160-M3164 WeakPolarHBondContact O-CB 3.21Å; F3160-M3164 WeakPolarHBondContact O-CG 3.49Å; F3160-M3164 PolarHBondContact O-N 2.81Å; F3160-I3305 HydrophobicContact CD1-CD1 4.38Å; F3160-I3305 HydrophobicContact CD2-CD1 4.49Å; F3160-I3305 HydrophobicContact CE1-CD1 3.66Å; F3160-I3305 HydrophobicContact CE2-CD1 3.79Å; F3160-I3305 HydrophobicContact CZ-CD1 3.31Å
3161	W	45.5	Very low	37.2	Very low	110 Å²	110	58.2 Å²	58.2	42%	0.417	30%	0.296	S	S	.	.	H	α-helix	trans	-71.2	-43.3	-179.9	-168.4	-103.1	0	0	0	111.8	L3157 D3158 M3164 V3165 F3298	L3157-W3161 WeakPolarHBondContact O-CA 3.09Å; L3157-W3161 WeakPolarHBondContact O-CB 3.48Å; L3157-W3161 PolarHBondContact O-N 2.82Å; D3158-W3161 PolarHBondContact O-N 3.38Å; W3161-M3164 PolarHBondContact O-N 2.99Å; W3161-V3165 VanDerWaalsContact O-CB 3.31Å; W3161-V3165 WeakPolarHBondContact O-CB 3.49Å; W3161-V3165 VanDerWaalsContact O-CG2 3.24Å; W3161-V3165 WeakPolarHBondContact O-CG2 3.46Å; W3161-V3165 PolarHBondContact O-N 2.88Å; W3161-F3298 HydrophobicContact CH2-CZ 4.19Å
3162	H	37.3	Very low	36.7	Very low	64 Å²	64	51.6 Å²	51.6	30%	0.296	27%	0.268	S	S	.	.	H	α-helix	trans	-62.6	-49.4	170.5	-92.3	-73.5	0	0	0	111.3	K3102 D3158 M3164 V3165 E3166	K3102-H3162 HydrophobicContact CD-CB 4.38Å; K3102-H3162 PolarHBondContact NZ-CD2 3.48Å; K3102-H3162 PolarHBondContact NZ-NE2 2.96Å; D3158-H3162 WeakPolarHBondContact O-CA 3.37Å; D3158-H3162 WeakPolarHBondContact O-CB 3.44Å; D3158-H3162 PolarHBondContact O-CD2 3.31Å; D3158-H3162 VanDerWaalsContact O-CD2 3.28Å; D3158-H3162 PolarHBondContact O-N 2.74Å; H3162-M3164 PolarHBondContact O-N 3.4Å; H3162-V3165 PolarHBondContact O-N 3.25Å; H3162-E3166 IonicContact CE1-OE2 3.69Å; H3162-E3166 IonicContact CG-OE2 3.66Å; H3162-E3166 IonicContact ND1-OE2 2.88Å; H3162-E3166 PolarHBondContact ND1-OE2 2.87Å; H3162-E3166 VanDerWaalsContact O-CB 3.24Å; H3162-E3166 WeakPolarHBondContact O-CB 3.4Å; H3162-E3166 WeakPolarHBondContact O-CG 3.25Å; H3162-E3166 PolarHBondContact O-N 2.88Å
3163	S	36.3	Very low	36.3	Very low	46 Å²	46	51.2 Å²	51.2	32%	0.322	26%	0.264	S	S	.	.	H	α-helix	trans	-59.2	-36.7	175.7	-61.2	0	0	0	0	110.3	A3159 I3167	A3159-S3163 WeakPolarHBondContact O-CA 2.8Å; A3159-S3163 WeakPolarHBondContact O-CB 3.21Å; A3159-S3163 PolarHBondContact O-N 2.98Å; A3159-S3163 PolarHBondContact O-OG 3.36Å; S3163-I3167 WeakPolarHBondContact O-CA 3.39Å; S3163-I3167 WeakPolarHBondContact O-CB 3.4Å; S3163-I3167 WeakPolarHBondContact O-CD1 3.33Å; S3163-I3167 WeakPolarHBondContact O-CG1 3.3Å; S3163-I3167 PolarHBondContact O-N 2.71Å
3164	M	38.9	Very low	36	Very low	4 Å²	4	51.1 Å²	51.1	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-75.3	-41.2	178.2	-72.2	-86.1	-83.6	0	0	112.3	L3128 F3160 W3161 H3162 E3166 Y3168 I3297	L3128-M3164 HydrophobicContact CD2-SD 3.92Å; F3160-M3164 HydrophobicContact CD1-CG 4.17Å; F3160-M3164 HydrophobicContact CD2-CG 4.27Å; F3160-M3164 HydrophobicContact CE1-CE 3.92Å; F3160-M3164 HydrophobicContact CE1-CG 3.98Å; F3160-M3164 HydrophobicContact CE2-CE 4.36Å; F3160-M3164 HydrophobicContact CE2-CG 4.08Å; F3160-M3164 HydrophobicContact CE2-SD 4.29Å; F3160-M3164 HydrophobicContact CG-CG 4.31Å; F3160-M3164 HydrophobicContact CZ-CE 3.6Å; F3160-M3164 HydrophobicContact CZ-CG 3.94Å; F3160-M3164 HydrophobicContact CZ-SD 4.09Å; F3160-M3164 WeakPolarHBondContact O-CB 3.21Å; F3160-M3164 WeakPolarHBondContact O-CG 3.49Å; F3160-M3164 PolarHBondContact O-N 2.81Å; W3161-M3164 PolarHBondContact O-N 2.99Å; H3162-M3164 PolarHBondContact O-N 3.4Å; M3164-E3166 VanDerWaalsContact C-N 3.29Å; M3164-E3166 PolarHBondContact O-N 3.14Å; M3164-Y3168 WeakPolarHBondContact O-CD1 3.17Å; M3164-Y3168 WeakPolarHBondContact O-CD2 3.39Å; M3164-Y3168 WeakPolarHBondContact O-CE1 3.19Å; M3164-Y3168 WeakPolarHBondContact O-CE2 3.36Å; M3164-Y3168 PolarHBondContact O-N 2.8Å; M3164-Y3168 VanDerWaalsContact O-N 3.09Å; M3164-I3297 HydrophobicContact CE-CB 3.9Å; M3164-I3297 HydrophobicContact CE-CD1 3.57Å; M3164-I3297 HydrophobicContact CE-CG1 3.57Å; M3164-I3297 HydrophobicContact CE-CG2 3.13Å; M3164-I3297 HydrophobicContact SD-CD1 3.88Å; M3164-I3297 HydrophobicContact SD-CG1 4.33Å
3165	V	32.1	Very low	35.9	Very low	65 Å²	65	47.9 Å²	47.9	39%	0.394	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-35.6	174.9	166.9	0	0	0	0	111.9	W3161 H3162 Y3168	W3161-V3165 VanDerWaalsContact O-CB 3.31Å; W3161-V3165 WeakPolarHBondContact O-CB 3.49Å; W3161-V3165 VanDerWaalsContact O-CG2 3.24Å; W3161-V3165 WeakPolarHBondContact O-CG2 3.46Å; W3161-V3165 PolarHBondContact O-N 2.88Å; H3162-V3165 PolarHBondContact O-N 3.25Å; V3165-Y3168 VanDerWaalsContact CA-CD2 3.47Å; V3165-Y3168 HydrophobicContact CB-CD2 4.47Å; V3165-Y3168 HydrophobicContact CB-CE2 4.43Å; V3165-Y3168 HydrophobicContact CG2-CE2 4.04Å; V3165-Y3168 WeakPolarHBondContact O-CB 3.44Å; V3165-Y3168 WeakPolarHBondContact O-CD2 3.39Å; V3165-Y3168 PolarHBondContact O-N 2.86Å
3166	E	30	Very low	35.7	Very low	42 Å²	42	45.9 Å²	45.9	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-95.7	-24.7	-176.1	-63.5	170	58.7	0	0	112	S3103 H3162 M3164 Y3168 S3169	S3103-E3166 WeakPolarHBondContact CA-OE1 3.35Å; S3103-E3166 WeakPolarHBondContact CB-OE1 3.3Å; S3103-E3166 PolarHBondContact N-OE1 3.15Å; H3162-E3166 IonicContact CE1-OE2 3.69Å; H3162-E3166 IonicContact CG-OE2 3.66Å; H3162-E3166 IonicContact ND1-OE2 2.88Å; H3162-E3166 PolarHBondContact ND1-OE2 2.87Å; H3162-E3166 VanDerWaalsContact O-CB 3.24Å; H3162-E3166 WeakPolarHBondContact O-CB 3.4Å; H3162-E3166 WeakPolarHBondContact O-CG 3.25Å; H3162-E3166 PolarHBondContact O-N 2.88Å; M3164-E3166 VanDerWaalsContact C-N 3.29Å; M3164-E3166 PolarHBondContact O-N 3.14Å; E3166-Y3168 PolarHBondContact O-N 3.24Å; E3166-S3169 WeakPolarHBondContact O-CA 3.39Å; E3166-S3169 WeakPolarHBondContact O-CB 3.45Å; E3166-S3169 PolarHBondContact O-N 2.94Å; E3166-S3169 PolarHBondContact O-OG 2.96Å
3167	I	30.9	Very low	35.5	Very low	30 Å²	30	47.3 Å²	47.3	15%	0.154	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-31	157.3	-75.8	161.8	0	0	0	109.8	M3131 S3163 S3169 I3170	M3131-I3167 HydrophobicContact CE-CD1 3.92Å; M3131-I3167 HydrophobicContact SD-CD1 3.85Å; S3163-I3167 WeakPolarHBondContact O-CA 3.39Å; S3163-I3167 WeakPolarHBondContact O-CB 3.4Å; S3163-I3167 WeakPolarHBondContact O-CD1 3.33Å; S3163-I3167 WeakPolarHBondContact O-CG1 3.3Å; S3163-I3167 PolarHBondContact O-N 2.71Å; I3167-S3169 PolarHBondContact O-N 3.47Å; I3167-I3170 WeakPolarHBondContact O-CG1 3.42Å; I3167-I3170 PolarHBondContact O-N 3.48Å
3168	Y	27.2	Very low	35.2	Very low	41 Å²	41	48.7 Å²	48.7	16%	0.161	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.9	171.2	-45.6	-37.9	0	0	0	112.8	M3164 V3165 E3166 I3170 Y3290 L3294 I3297	M3164-Y3168 WeakPolarHBondContact O-CD1 3.17Å; M3164-Y3168 WeakPolarHBondContact O-CD2 3.39Å; M3164-Y3168 WeakPolarHBondContact O-CE1 3.19Å; M3164-Y3168 WeakPolarHBondContact O-CE2 3.36Å; M3164-Y3168 PolarHBondContact O-N 2.8Å; M3164-Y3168 VanDerWaalsContact O-N 3.09Å; V3165-Y3168 VanDerWaalsContact CA-CD2 3.47Å; V3165-Y3168 HydrophobicContact CB-CD2 4.47Å; V3165-Y3168 HydrophobicContact CB-CE2 4.43Å; V3165-Y3168 HydrophobicContact CG2-CE2 4.04Å; V3165-Y3168 WeakPolarHBondContact O-CB 3.44Å; V3165-Y3168 WeakPolarHBondContact O-CD2 3.39Å; V3165-Y3168 PolarHBondContact O-N 2.86Å; E3166-Y3168 PolarHBondContact O-N 3.24Å; Y3168-I3170 VanDerWaalsContact C-N 3.31Å; Y3168-I3170 PolarHBondContact O-N 3Å; Y3168-Y3290 WeakPolarHBondContact CB-OH 3.13Å; Y3168-Y3290 HydrophobicContact CD2-CE1 4.03Å; Y3168-Y3290 HydrophobicContact CG-CE1 4.03Å; Y3168-Y3290 WeakPolarHBondContact O-CE2 3.08Å; Y3168-Y3290 PolarHBondContact O-OH 2.85Å; Y3168-L3294 HydrophobicContact CD1-CD2 4.35Å; Y3168-L3294 HydrophobicContact CE1-CD2 3.61Å; Y3168-L3294 HydrophobicContact CE1-CG 4.14Å; Y3168-L3294 HydrophobicContact CE2-CD2 3.87Å; Y3168-L3294 WeakPolarHBondContact OH-CD2 3.2Å; Y3168-I3297 HydrophobicContact CE1-CD1 3.73Å
3169	S	27.3	Very low	34.8	Very low	27 Å²	27	48.4 Å²	48.4	19%	0.189	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	46.8	168.8	74.8	0	0	0	0	113.2	E3166 I3167 W3171	E3166-S3169 WeakPolarHBondContact O-CA 3.39Å; E3166-S3169 WeakPolarHBondContact O-CB 3.45Å; E3166-S3169 PolarHBondContact O-N 2.94Å; E3166-S3169 PolarHBondContact O-OG 2.96Å; I3167-S3169 PolarHBondContact O-N 3.47Å; S3169-W3171 PolarHBondContact O-N 2.89Å; S3169-W3171 VanDerWaalsContact O-N 3.11Å
3170	I	30.2	Very low	34.6	Very low	44 Å²	44	50.2 Å²	50.2	23%	0.226	25%	0.246	C	C	.	.			trans	-73.2	101.8	158.4	-58.3	159.7	0	0	0	106.8	I3124 I3167 Y3168 I3172	I3124-I3170 HydrophobicContact CD1-CD1 3.51Å; I3167-I3170 WeakPolarHBondContact O-CG1 3.42Å; I3167-I3170 PolarHBondContact O-N 3.48Å; Y3168-I3170 VanDerWaalsContact C-N 3.31Å; Y3168-I3170 PolarHBondContact O-N 3Å; I3170-I3172 VanDerWaalsContact C-N 3.32Å; I3170-I3172 HydrophobicContact CB-CG1 4.48Å; I3170-I3172 HydrophobicContact CG2-CD1 3.85Å; I3170-I3172 HydrophobicContact CG2-CG1 3.5Å; I3170-I3172 VanDerWaalsContact CG2-CG1 3.5Å; I3170-I3172 PolarHBondContact O-N 3.46Å
3171	W	32.6	Very low	34.2	Very low	91 Å²	91	53.6 Å²	53.6	35%	0.345	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	88.5	173.9	-64.1	81.5	0	0	0	108.3	Y3107 S3169 Y3286	Y3107-W3171 HydrophobicContact CD2-CB 4.45Å; S3169-W3171 PolarHBondContact O-N 2.89Å; S3169-W3171 VanDerWaalsContact O-N 3.11Å; W3171-Y3286 AromaticContact CE3-CD1 3.21Å; W3171-Y3286 HydrophobicContact CE3-CD1 3.21Å; W3171-Y3286 HydrophobicContact CE3-CD2 4.24Å; W3171-Y3286 AromaticContact CE3-CE1 3.3Å; W3171-Y3286 HydrophobicContact CE3-CE1 3.3Å; W3171-Y3286 HydrophobicContact CE3-CE2 4.32Å; W3171-Y3286 AromaticContact CE3-CG 3.68Å; W3171-Y3286 HydrophobicContact CE3-CG 3.68Å; W3171-Y3286 AromaticContact CE3-CZ 3.86Å; W3171-Y3286 HydrophobicContact CH2-CD2 4.32Å; W3171-Y3286 HydrophobicContact CH2-CE2 4.4Å; W3171-Y3286 HydrophobicContact CH2-CG 4.41Å; W3171-Y3286 AromaticContact CZ3-CD1 3.32Å; W3171-Y3286 HydrophobicContact CZ3-CD1 3.32Å; W3171-Y3286 AromaticContact CZ3-CD2 3.44Å; W3171-Y3286 HydrophobicContact CZ3-CD2 3.44Å; W3171-Y3286 VanDerWaalsContact CZ3-CD2 3.44Å; W3171-Y3286 AromaticContact CZ3-CE1 3.38Å; W3171-Y3286 HydrophobicContact CZ3-CE1 3.38Å; W3171-Y3286 AromaticContact CZ3-CE2 3.52Å; W3171-Y3286 HydrophobicContact CZ3-CE2 3.52Å; W3171-Y3286 AromaticContact CZ3-CG 3.3Å; W3171-Y3286 HydrophobicContact CZ3-CG 3.3Å; W3171-Y3286 AromaticContact CZ3-CZ 3.46Å; W3171-Y3286 VanDerWaalsContact CZ3-CZ 3.46Å
3172	I	30.5	Very low	33.6	Very low	26 Å²	26	50.8 Å²	50.8	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	109.8	168.5	-51.5	179.4	0	0	0	105.9	F3117 I3170 P3174	F3117-I3172 HydrophobicContact CD1-CD1 4.41Å; F3117-I3172 HydrophobicContact CD2-CG2 4.34Å; F3117-I3172 HydrophobicContact CE1-CD1 3.5Å; F3117-I3172 HydrophobicContact CE2-CB 4.19Å; F3117-I3172 HydrophobicContact CE2-CD1 3.72Å; F3117-I3172 HydrophobicContact CE2-CG1 4.49Å; F3117-I3172 HydrophobicContact CE2-CG2 3.5Å; F3117-I3172 HydrophobicContact CZ-CB 4.17Å; F3117-I3172 HydrophobicContact CZ-CD1 3.1Å; F3117-I3172 HydrophobicContact CZ-CG1 4.15Å; F3117-I3172 HydrophobicContact CZ-CG2 3.98Å; I3170-I3172 VanDerWaalsContact C-N 3.32Å; I3170-I3172 HydrophobicContact CB-CG1 4.48Å; I3170-I3172 HydrophobicContact CG2-CD1 3.85Å; I3170-I3172 HydrophobicContact CG2-CG1 3.5Å; I3170-I3172 VanDerWaalsContact CG2-CG1 3.5Å; I3170-I3172 PolarHBondContact O-N 3.46Å; I3172-P3174 WeakPolarHBondContact O-CD 3.42Å
3173	E	32.5	Very low	33.4	Very low	68 Å²	68	54.5 Å²	54.5	32%	0.318	27%	0.272	S	S	.	.			trans	-60.6	112.3	166.7	-175.9	166	-154.1	0	0	107.2	K3179	E3173-K3179 IonicContact OE1-NZ 2.76Å; E3173-K3179 PolarHBondContact OE1-NZ 2.87Å
3174	P	33.3	Very low	33.3	Very low	10 Å²	10	55.2 Å²	55.2	7%	0.065	27%	0.272	C	S	.	.			trans	-59.2	142.7	176.8	26.9	-36.6	0	0	0	108.4	I3172 S3176 I3178 K3179 V3287	I3172-P3174 WeakPolarHBondContact O-CD 3.42Å; P3174-S3176 PolarHBondContact O-N 3.36Å; P3174-I3178 HydrophobicContact CB-CB 3.93Å; P3174-I3178 HydrophobicContact CB-CG2 3.99Å; P3174-K3179 HydrophobicContact CG-CB 4.37Å; P3174-K3179 HydrophobicContact CG-CD 3.96Å; P3174-K3179 HydrophobicContact CG-CG 3.69Å; P3174-V3287 HydrophobicContact CB-CB 4.43Å; P3174-V3287 HydrophobicContact CB-CG2 4.11Å; P3174-V3287 HydrophobicContact CG-CB 4.38Å; P3174-V3287 HydrophobicContact CG-CG2 3.83Å
3175	P	36.6	Very low	32.9	Very low	30 Å²	30	59.9 Å²	59.9	20%	0.195	30%	0.296	C	S	.	.			trans	-47.6	144.9	166.3	-21.2	29.5	0	0	0	109.5	K3177 I3178 K3179	P3175-K3177 PolarHBondContact O-N 2.71Å; P3175-I3178 PolarHBondContact O-N 3.3Å; P3175-K3179 PolarHBondContact O-N 3.15Å
3176	S	37.8	Very low	32.9	Very low	37 Å²	37	62.3 Å²	62.3	26%	0.259	31%	0.306	S	S	.	.	H	α-helix	trans	-49.3	-37.7	-172.5	68.6	0	0	0	0	112.4	I2297 P3174 I3178 K3179 E3180	I2297-S3176 WeakPolarHBondContact CD1-OG 3.09Å; P3174-S3176 PolarHBondContact O-N 3.36Å; S3176-I3178 VanDerWaalsContact C-N 3.32Å; S3176-I3178 PolarHBondContact O-N 2.81Å; S3176-K3179 CarbonylContact O-C 3.52Å; S3176-K3179 WeakPolarHBondContact O-CA 3.2Å; S3176-K3179 VanDerWaalsContact O-CB 3.26Å; S3176-K3179 WeakPolarHBondContact O-CB 3.19Å; S3176-K3179 PolarHBondContact O-N 3.18Å; S3176-E3180 PolarHBondContact O-N 3.23Å
3177	K	37.6	Very low	33.1	Very low	65 Å²	65	65 Å²	65	28%	0.283	33%	0.325	S	S	.	.	H	α-helix	trans	-54	-38.7	177.6	-75.1	179	178.6	164.5	0	114.3	E2299 P3175 I3181	E2299-K3177 WeakPolarHBondContact OE1-CD 3.46Å; E2299-K3177 WeakPolarHBondContact OE1-CE 3.29Å; E2299-K3177 IonicContact OE1-NZ 2.75Å; E2299-K3177 PolarHBondContact OE1-NZ 3.38Å; P3175-K3177 PolarHBondContact O-N 2.71Å; K3177-I3181 VanDerWaalsContact O-CD1 3.27Å; K3177-I3181 WeakPolarHBondContact O-CD1 3.2Å; K3177-I3181 WeakPolarHBondContact O-CG1 3.2Å; K3177-I3181 PolarHBondContact O-N 3.42Å; K3177-I3181 VanDerWaalsContact O-N 3.13Å
3178	I	37.9	Very low	33.1	Very low	76 Å²	76	66.6 Å²	66.6	39%	0.39	33%	0.334	S	S	.	.	H	α-helix	trans	-78.6	-34.7	178.2	-63.7	179.1	0	0	0	110.4	P3174 P3175 S3176 I3181 I3182 V3287	P3174-I3178 HydrophobicContact CB-CB 3.93Å; P3174-I3178 HydrophobicContact CB-CG2 3.99Å; P3175-I3178 PolarHBondContact O-N 3.3Å; S3176-I3178 VanDerWaalsContact C-N 3.32Å; S3176-I3178 PolarHBondContact O-N 2.81Å; I3178-I3181 PolarHBondContact O-N 3.42Å; I3178-I3182 HydrophobicContact CG2-CD1 3.72Å; I3178-I3182 WeakPolarHBondContact O-CB 3.37Å; I3178-I3182 WeakPolarHBondContact O-CG1 3.32Å; I3178-I3182 PolarHBondContact O-N 3.12Å; I3178-V3287 HydrophobicContact CG2-CG1 4.49Å; I3178-V3287 HydrophobicContact CG2-CG2 4.23Å
3179	K	33.5	Very low	33.3	Very low	75 Å²	75	70.4 Å²	70.4	33%	0.326	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-45.9	172.1	-112.4	167	-174.4	-171.9	0	111	E3173 P3174 P3175 S3176 I3182 F3183	E3173-K3179 IonicContact OE1-NZ 2.76Å; E3173-K3179 PolarHBondContact OE1-NZ 2.87Å; P3174-K3179 HydrophobicContact CG-CB 4.37Å; P3174-K3179 HydrophobicContact CG-CD 3.96Å; P3174-K3179 HydrophobicContact CG-CG 3.69Å; P3175-K3179 PolarHBondContact O-N 3.15Å; S3176-K3179 CarbonylContact O-C 3.52Å; S3176-K3179 WeakPolarHBondContact O-CA 3.2Å; S3176-K3179 VanDerWaalsContact O-CB 3.26Å; S3176-K3179 WeakPolarHBondContact O-CB 3.19Å; S3176-K3179 PolarHBondContact O-N 3.18Å; K3179-I3182 PolarHBondContact O-N 2.59Å; K3179-F3183 VanDerWaalsContact O-CB 3.22Å; K3179-F3183 WeakPolarHBondContact O-CB 3.43Å; K3179-F3183 PolarHBondContact O-N 3.33Å
3180	E	35.7	Very low	33.4	Very low	84 Å²	84	75.4 Å²	75.4	39%	0.393	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-47.2	173.9	-86.4	176.5	150.4	0	0	112.1	S3176 I3182 F3183 I3184	S3176-E3180 PolarHBondContact O-N 3.23Å; E3180-I3182 VanDerWaalsContact C-N 3.31Å; E3180-I3182 PolarHBondContact O-N 3.1Å; E3180-F3183 PolarHBondContact O-N 2.88Å; E3180-I3184 VanDerWaalsContact O-CB 3.23Å; E3180-I3184 WeakPolarHBondContact O-CB 3.06Å; E3180-I3184 WeakPolarHBondContact O-CD1 3.42Å; E3180-I3184 WeakPolarHBondContact O-CG1 3.36Å; E3180-I3184 PolarHBondContact O-N 3.43Å
3181	I	34.5	Very low	33.5	Very low	90 Å²	90	80.5 Å²	80.5	46%	0.462	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-38.6	-179.9	-70.3	163.8	0	0	0	111.8	K3177 I3178 L3185	K3177-I3181 VanDerWaalsContact O-CD1 3.27Å; K3177-I3181 WeakPolarHBondContact O-CD1 3.2Å; K3177-I3181 WeakPolarHBondContact O-CG1 3.2Å; K3177-I3181 PolarHBondContact O-N 3.42Å; K3177-I3181 VanDerWaalsContact O-N 3.13Å; I3178-I3181 PolarHBondContact O-N 3.42Å; I3181-L3185 HydrophobicContact CG2-CD1 3.87Å; I3181-L3185 WeakPolarHBondContact O-CB 3.45Å; I3181-L3185 WeakPolarHBondContact O-CD1 3.37Å; I3181-L3185 WeakPolarHBondContact O-CG 3.25Å; I3181-L3185 PolarHBondContact O-N 2.88Å
3182	I	34	Very low	33.4	Very low	52 Å²	52	81.1 Å²	81.1	27%	0.267	41%	0.413	S	S	.	.	H	α-helix	trans	-76.5	-38.1	179.9	-70.1	168.5	0	0	0	111.7	I3178 K3179 E3180 I3184 L3185 L3186 V3287	I3178-I3182 HydrophobicContact CG2-CD1 3.72Å; I3178-I3182 WeakPolarHBondContact O-CB 3.37Å; I3178-I3182 WeakPolarHBondContact O-CG1 3.32Å; I3178-I3182 PolarHBondContact O-N 3.12Å; K3179-I3182 PolarHBondContact O-N 2.59Å; E3180-I3182 VanDerWaalsContact C-N 3.31Å; E3180-I3182 PolarHBondContact O-N 3.1Å; I3182-I3184 VanDerWaalsContact C-N 3.32Å; I3182-L3185 PolarHBondContact O-N 2.75Å; I3182-L3186 HydrophobicContact CG2-CD1 3.87Å; I3182-L3186 PolarHBondContact O-N 3.01Å; I3182-V3287 HydrophobicContact CD1-CB 4.14Å; I3182-V3287 HydrophobicContact CD1-CG1 3.81Å; I3182-V3287 HydrophobicContact CD1-CG2 3.18Å
3183	F	32.8	Very low	33.5	Very low	142 Å²	142	82.9 Å²	82.9	62%	0.623	43%	0.428	S	S	*	.	H	α-helix	trans	-64.2	-39.2	171.9	-160.2	-91.9	0	0	0	111.3	K3179 E3180 V3187	K3179-F3183 VanDerWaalsContact O-CB 3.22Å; K3179-F3183 WeakPolarHBondContact O-CB 3.43Å; K3179-F3183 PolarHBondContact O-N 3.33Å; E3180-F3183 PolarHBondContact O-N 2.88Å; F3183-V3187 WeakPolarHBondContact O-CB 3.23Å; F3183-V3187 VanDerWaalsContact O-CG2 3.27Å; F3183-V3187 WeakPolarHBondContact O-CG2 3.35Å; F3183-V3187 PolarHBondContact O-N 3.29Å
3184	I	33.1	Very low	33.4	Very low	61 Å²	61	80.5 Å²	80.5	31%	0.313	42%	0.422	S	S	.	.	H	α-helix	trans	-62.1	-44.8	170.8	-72.2	166.2	0	0	0	109.7	E3180 I3182 L3186 V3187 N3188	E3180-I3184 VanDerWaalsContact O-CB 3.23Å; E3180-I3184 WeakPolarHBondContact O-CB 3.06Å; E3180-I3184 WeakPolarHBondContact O-CD1 3.42Å; E3180-I3184 WeakPolarHBondContact O-CG1 3.36Å; E3180-I3184 PolarHBondContact O-N 3.43Å; I3182-I3184 VanDerWaalsContact C-N 3.32Å; I3184-L3186 PolarHBondContact O-N 2.97Å; I3184-V3187 CarbonylContact O-C 3.53Å; I3184-V3187 PolarHBondContact O-N 3.1Å; I3184-N3188 HydrophobicContact CG2-CB 4.13Å; I3184-N3188 WeakPolarHBondContact O-CA 3.34Å; I3184-N3188 WeakPolarHBondContact O-CB 3.12Å; I3184-N3188 PolarHBondContact O-N 3.46Å
3185	L	31.2	Very low	33.4	Very low	102 Å²	102	83.1 Å²	83.1	53%	0.534	43%	0.432	S	S	.	.	H	α-helix	trans	-67.8	-32.1	-179.4	-78.8	160.6	0	0	0	114.8	I3181 I3182 V3187 I3199	I3181-L3185 HydrophobicContact CG2-CD1 3.87Å; I3181-L3185 WeakPolarHBondContact O-CB 3.45Å; I3181-L3185 WeakPolarHBondContact O-CD1 3.37Å; I3181-L3185 WeakPolarHBondContact O-CG 3.25Å; I3181-L3185 PolarHBondContact O-N 2.88Å; I3182-L3185 PolarHBondContact O-N 2.75Å; L3185-V3187 PolarHBondContact O-N 3.07Å; L3185-I3199 HydrophobicContact CD2-CD1 4.15Å
3186	L	32.4	Very low	33.1	Very low	115 Å²	115	86.7 Å²	86.7	60%	0.602	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.9	176.6	-72.5	160.2	0	0	0	112.4	I3182 I3184	I3182-L3186 HydrophobicContact CG2-CD1 3.87Å; I3182-L3186 PolarHBondContact O-N 3.01Å; I3184-L3186 PolarHBondContact O-N 2.97Å
3187	V	34.6	Very low	32.6	Very low	99 Å²	99	88.2 Å²	88.2	60%	0.6	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	-24	-173.5	-178.8	0	0	0	0	115.5	F3183 I3184 L3185 D3189	F3183-V3187 WeakPolarHBondContact O-CB 3.23Å; F3183-V3187 VanDerWaalsContact O-CG2 3.27Å; F3183-V3187 WeakPolarHBondContact O-CG2 3.35Å; F3183-V3187 PolarHBondContact O-N 3.29Å; I3184-V3187 CarbonylContact O-C 3.53Å; I3184-V3187 PolarHBondContact O-N 3.1Å; L3185-V3187 PolarHBondContact O-N 3.07Å; V3187-D3189 PolarHBondContact O-N 3.3Å
3188	N	29.1	Very low	32.2	Very low	64 Å²	64	86.7 Å²	86.7	34%	0.342	45%	0.447	S	S	.	.	S	Bend	trans	-72.2	23.1	-170.2	-112.3	-129.1	0	0	0	116.6	I3184 K3195	I3184-N3188 HydrophobicContact CG2-CB 4.13Å; I3184-N3188 WeakPolarHBondContact O-CA 3.34Å; I3184-N3188 WeakPolarHBondContact O-CB 3.12Å; I3184-N3188 PolarHBondContact O-N 3.46Å; N3188-K3195 PolarHBondContact OD1-NZ 2.9Å
3189	D	32.9	Very low	31.7	Very low	120 Å²	120	85.8 Å²	85.8	64%	0.642	44%	0.442	S	S	*	.			trans	71	145	166.9	-151.9	-10.8	0	0	0	114	V3187 R3191	V3187-D3189 PolarHBondContact O-N 3.3Å; D3189-R3191 PolarHBondContact O-N 3.26Å
3190	T	28.6	Very low	31.4	Very low	133 Å²	133	85.3 Å²	85.3	82%	0.816	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	18.1	-165.2	46.5	0	0	0	0	114.7
3191	R	32.2	Very low	30.9	Very low	150 Å²	150	84.4 Å²	84.4	57%	0.566	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.9	0.5	-159.1	-60.6	-174.5	-168.3	178.1	3	117.6	D3189	D3189-R3191 PolarHBondContact O-N 3.26Å
3192	N	31.6	Very low	30.5	Very low	104 Å²	104	87.6 Å²	87.6	56%	0.556	45%	0.453	S	S	*	.			trans	-111.3	82.3	-177	-80.8	-26.2	0	0	0	113.4	G3194 K3195	N3192-G3194 PolarHBondContact O-N 2.66Å; N3192-K3195 PolarHBondContact O-N 2.86Å
3193	S	31.5	Very low	30.2	Very low	63 Å²	63	89.1 Å²	89.1	44%	0.441	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.8	178.4	55.4	0	0	0	0	114.3	K3195 L3196	S3193-K3195 VanDerWaalsContact C-N 3.34Å; S3193-K3195 PolarHBondContact O-N 3.36Å; S3193-L3196 WeakPolarHBondContact O-CB 3.34Å; S3193-L3196 PolarHBondContact O-N 3.39Å
3194	G	30.8	Very low	29.9	Very low	18 Å²	18	89 Å²	89	19%	0.186	46%	0.461	C	S	.	.	H	α-helix	trans	-62.6	-33.1	-179.8	0	0	0	0	0	114.6	N3192 L3196 E3197	N3192-G3194 PolarHBondContact O-N 2.66Å; G3194-L3196 PolarHBondContact O-N 2.94Å; G3194-E3197 PolarHBondContact O-N 3.37Å
3195	K	33.5	Very low	29.7	Very low	65 Å²	65	92.9 Å²	92.9	28%	0.283	48%	0.477	S	S	.	.	H	α-helix	trans	-72.5	-17.3	180	-75.9	-174	176.6	-172.8	0	113.1	N3188 N3192 S3193	N3188-K3195 PolarHBondContact OD1-NZ 2.9Å; N3192-K3195 PolarHBondContact O-N 2.86Å; S3193-K3195 VanDerWaalsContact C-N 3.34Å; S3193-K3195 PolarHBondContact O-N 3.36Å
3196	L	29.2	Very low	29.6	Very low	106 Å²	106	92.8 Å²	92.8	56%	0.555	48%	0.477	S	S	*	.	H	α-helix	trans	-74.2	-27.8	172.7	-81.5	153.5	0	0	0	112.4	S3193 G3194 I3199 T3200	S3193-L3196 WeakPolarHBondContact O-CB 3.34Å; S3193-L3196 PolarHBondContact O-N 3.39Å; G3194-L3196 PolarHBondContact O-N 2.94Å; L3196-I3199 CarbonylContact O-C 3.57Å; L3196-I3199 PolarHBondContact O-N 3.09Å; L3196-T3200 WeakPolarHBondContact O-CB 3.37Å; L3196-T3200 PolarHBondContact O-N 3.09Å; L3196-T3200 PolarHBondContact O-OG1 2.74Å
3197	E	27.1	Very low	29.4	Very low	69 Å²	69	89 Å²	89	32%	0.322	46%	0.457	S	S	.	.	H	α-helix	trans	-69.9	-37	-176.7	-86.7	174.7	177.8	0	0	113.8	G3194 T3200 V3201	G3194-E3197 PolarHBondContact O-N 3.37Å; E3197-T3200 CarbonylContact O-C 3.53Å; E3197-T3200 WeakPolarHBondContact O-CA 3.4Å; E3197-T3200 VanDerWaalsContact O-CB 3.26Å; E3197-T3200 WeakPolarHBondContact O-CB 3.33Å; E3197-T3200 PolarHBondContact O-N 3.3Å; E3197-T3200 VanDerWaalsContact O-N 3.08Å; E3197-V3201 PolarHBondContact O-N 3.14Å
3198	N	29.1	Very low	29.1	Very low	32 Å²	32	90.9 Å²	90.9	17%	0.171	46%	0.459	C	S	.	.	H	α-helix	trans	-73.9	-30.3	175.1	-75.7	-12.1	0	0	0	112.4	T3200 V3201 Y3202	N3198-T3200 VanDerWaalsContact C-N 3.3Å; N3198-V3201 PolarHBondContact O-N 3.19Å; N3198-Y3202 PolarHBondContact O-N 3.23Å; N3198-Y3202 VanDerWaalsContact O-N 3.13Å
3199	I	28.6	Very low	29.1	Very low	57 Å²	57	98.4 Å²	98.4	29%	0.292	48%	0.483	S	S	.	.	H	α-helix	trans	-70.5	-29.2	166.8	-63.7	172.3	0	0	0	110.3	L3185 L3196 V3201 Y3202 L3203	L3185-I3199 HydrophobicContact CD2-CD1 4.15Å; L3196-I3199 CarbonylContact O-C 3.57Å; L3196-I3199 PolarHBondContact O-N 3.09Å; I3199-V3201 VanDerWaalsContact C-N 3.32Å; I3199-V3201 PolarHBondContact O-N 2.74Å; I3199-Y3202 PolarHBondContact O-N 3.04Å; I3199-L3203 HydrophobicContact CG2-CD1 3.56Å; I3199-L3203 HydrophobicContact CG2-CG 3.99Å; I3199-L3203 WeakPolarHBondContact O-CA 3.31Å; I3199-L3203 WeakPolarHBondContact O-CB 3.15Å; I3199-L3203 WeakPolarHBondContact O-CG 3.25Å; I3199-L3203 PolarHBondContact O-N 3.2Å
3200	T	26.1	Very low	28.9	Very low	66 Å²	66	95 Å²	95	41%	0.405	46%	0.464	S	S	.	.	H	α-helix	trans	-70.7	-26.3	174.1	-45.9	0	0	0	0	111.9	L3196 E3197 N3198 K3204	L3196-T3200 WeakPolarHBondContact O-CB 3.37Å; L3196-T3200 PolarHBondContact O-N 3.09Å; L3196-T3200 PolarHBondContact O-OG1 2.74Å; E3197-T3200 CarbonylContact O-C 3.53Å; E3197-T3200 WeakPolarHBondContact O-CA 3.4Å; E3197-T3200 VanDerWaalsContact O-CB 3.26Å; E3197-T3200 WeakPolarHBondContact O-CB 3.33Å; E3197-T3200 PolarHBondContact O-N 3.3Å; E3197-T3200 VanDerWaalsContact O-N 3.08Å; N3198-T3200 VanDerWaalsContact C-N 3.3Å; T3200-K3204 WeakPolarHBondContact O-CA 3.35Å; T3200-K3204 WeakPolarHBondContact O-CB 3.5Å; T3200-K3204 WeakPolarHBondContact O-CG 3.33Å; T3200-K3204 PolarHBondContact O-N 2.85Å
3201	V	26.6	Very low	28.9	Very low	64 Å²	64	96.5 Å²	96.5	39%	0.388	46%	0.46	S	S	.	.	H	α-helix	trans	-78.4	-41.2	172.6	177.7	0	0	0	0	111.5	E3197 N3198 I3199 K3204 H3205	E3197-V3201 PolarHBondContact O-N 3.14Å; N3198-V3201 PolarHBondContact O-N 3.19Å; I3199-V3201 VanDerWaalsContact C-N 3.32Å; I3199-V3201 PolarHBondContact O-N 2.74Å; V3201-K3204 WeakPolarHBondContact O-CB 3.26Å; V3201-K3204 PolarHBondContact O-N 3.27Å; V3201-H3205 PolarHBondContact O-N 3.29Å
3202	Y	26.3	Very low	28.8	Very low	158 Å²	158	94.2 Å²	94.2	62%	0.62	46%	0.458	S	S	*	.	H	α-helix	trans	-71.3	-34.2	173.8	-114	-92.3	0	0	0	112.9	N3198 I3199	N3198-Y3202 PolarHBondContact O-N 3.23Å; N3198-Y3202 VanDerWaalsContact O-N 3.13Å; I3199-Y3202 PolarHBondContact O-N 3.04Å
3203	L	27.3	Very low	28.7	Very low	83 Å²	83	90 Å²	90	44%	0.435	44%	0.437	S	S	.	.	H	α-helix	trans	-74.9	-23.9	168.1	-72.7	169.7	0	0	0	111.8	I3199 L3206 N3207	I3199-L3203 HydrophobicContact CG2-CD1 3.56Å; I3199-L3203 HydrophobicContact CG2-CG 3.99Å; I3199-L3203 WeakPolarHBondContact O-CA 3.31Å; I3199-L3203 WeakPolarHBondContact O-CB 3.15Å; I3199-L3203 WeakPolarHBondContact O-CG 3.25Å; I3199-L3203 PolarHBondContact O-N 3.2Å; L3203-L3206 CarbonylContact O-C 3.55Å; L3203-L3206 PolarHBondContact O-N 3.23Å; L3203-N3207 WeakPolarHBondContact O-CA 3.32Å; L3203-N3207 WeakPolarHBondContact O-CB 3.18Å; L3203-N3207 PolarHBondContact O-N 2.93Å; L3203-N3207 PolarHBondContact O-ND2 3.41Å
3204	K	26.6	Very low	28.5	Very low	139 Å²	139	91.5 Å²	91.5	60%	0.604	44%	0.437	S	S	*	.	H	α-helix	trans	-63.5	-38.9	174	-113.6	176.6	173.3	178.4	0	112.1	T3200 V3201 N3207 E3208	T3200-K3204 WeakPolarHBondContact O-CA 3.35Å; T3200-K3204 WeakPolarHBondContact O-CB 3.5Å; T3200-K3204 WeakPolarHBondContact O-CG 3.33Å; T3200-K3204 PolarHBondContact O-N 2.85Å; V3201-K3204 WeakPolarHBondContact O-CB 3.26Å; V3201-K3204 PolarHBondContact O-N 3.27Å; K3204-N3207 PolarHBondContact O-N 3.02Å; K3204-E3208 PolarHBondContact O-N 3.35Å; K3204-E3208 VanDerWaalsContact O-N 3.12Å
3205	H	29.2	Very low	28.6	Very low	144 Å²	144	92.3 Å²	92.3	67%	0.667	44%	0.44	S	S	*	.	H	α-helix	trans	-74.5	-24.9	176.5	-87.5	-47.8	0	0	0	114	V3201	V3201-H3205 PolarHBondContact O-N 3.29Å
3206	L	29	Very low	28.4	Very low	100 Å²	100	91.6 Å²	91.6	52%	0.524	44%	0.439	S	S	.	.	H	α-helix	trans	-79.8	-32.4	165.8	-93.6	150	0	0	0	112	L3203 E3208 R3209 L3210	L3203-L3206 CarbonylContact O-C 3.55Å; L3203-L3206 PolarHBondContact O-N 3.23Å; L3206-E3208 PolarHBondContact O-N 3.08Å; L3206-R3209 PolarHBondContact O-N 2.95Å; L3206-L3210 HydrophobicContact CB-CD1 4.44Å; L3206-L3210 HydrophobicContact CD2-CD1 4.14Å; L3206-L3210 WeakPolarHBondContact O-CB 3.36Å; L3206-L3210 WeakPolarHBondContact O-CG 3.06Å; L3206-L3210 PolarHBondContact O-N 3.1Å
3207	N	28.3	Very low	28.5	Very low	34 Å²	34	92.6 Å²	92.6	18%	0.182	44%	0.439	C	S	.	.	H	α-helix	trans	-70	-25.3	-179.9	-87.1	-21.5	0	0	0	113.2	L3203 K3204 R3209 L3210 K3211	L3203-N3207 WeakPolarHBondContact O-CA 3.32Å; L3203-N3207 WeakPolarHBondContact O-CB 3.18Å; L3203-N3207 PolarHBondContact O-N 2.93Å; L3203-N3207 PolarHBondContact O-ND2 3.41Å; K3204-N3207 PolarHBondContact O-N 3.02Å; N3207-R3209 PolarHBondContact O-N 3.47Å; N3207-L3210 CarbonylContact O-C 3.57Å; N3207-L3210 PolarHBondContact O-N 3.3Å; N3207-L3210 VanDerWaalsContact O-N 3.13Å; N3207-K3211 WeakPolarHBondContact O-CG 3.4Å; N3207-K3211 PolarHBondContact O-N 2.88Å
3208	E	27.7	Very low	28.6	Very low	140 Å²	140	93.3 Å²	93.3	65%	0.654	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.7	172.6	-75.6	-170	156.5	0	0	112.5	K3204 L3206	K3204-E3208 PolarHBondContact O-N 3.35Å; K3204-E3208 VanDerWaalsContact O-N 3.12Å; L3206-E3208 PolarHBondContact O-N 3.08Å
3209	R	29	Very low	28.7	Very low	222 Å²	222	93.9 Å²	93.9	84%	0.838	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-8.3	173	-56.9	-175.7	-175.2	-163.1	-0.7	113	L3206 N3207	L3206-R3209 PolarHBondContact O-N 2.95Å; N3207-R3209 PolarHBondContact O-N 3.47Å
3210	L	29.6	Very low	29	Very low	47 Å²	47	94.6 Å²	94.6	25%	0.246	45%	0.453	C	S	.	.			trans	-124	29.7	-176.7	-63	175.4	0	0	0	113.2	L3206 N3207 I3212 A3213 H3214	L3206-L3210 HydrophobicContact CB-CD1 4.44Å; L3206-L3210 HydrophobicContact CD2-CD1 4.14Å; L3206-L3210 WeakPolarHBondContact O-CB 3.36Å; L3206-L3210 WeakPolarHBondContact O-CG 3.06Å; L3206-L3210 PolarHBondContact O-N 3.1Å; N3207-L3210 CarbonylContact O-C 3.57Å; N3207-L3210 PolarHBondContact O-N 3.3Å; N3207-L3210 VanDerWaalsContact O-N 3.13Å; L3210-I3212 PolarHBondContact O-N 2.79Å; L3210-A3213 HydrophobicContact CB-CB 4.09Å; L3210-A3213 WeakPolarHBondContact O-CA 3.24Å; L3210-A3213 WeakPolarHBondContact O-CB 3.4Å; L3210-A3213 PolarHBondContact O-N 2.74Å; L3210-H3214 PolarHBondContact O-N 3.07Å
3211	K	26.9	Very low	29.2	Very low	165 Å²	165	99.8 Å²	99.8	72%	0.717	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-16.1	171.7	-90.1	175.9	179.3	174.3	0	114	N3207	N3207-K3211 WeakPolarHBondContact O-CG 3.4Å; N3207-K3211 PolarHBondContact O-N 2.88Å
3212	I	31.3	Very low	29.3	Very low	102 Å²	102	102 Å²	102	52%	0.523	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-23.3	173.2	-64.3	171.9	0	0	0	112	L3210 S3215 L3216 I3261	L3210-I3212 PolarHBondContact O-N 2.79Å; I3212-S3215 PolarHBondContact O-OG 3.22Å; I3212-L3216 VanDerWaalsContact O-CD1 3.24Å; I3212-L3216 WeakPolarHBondContact O-CD1 3.34Å; I3212-I3261 HydrophobicContact CD1-CD1 4.26Å; I3212-I3261 HydrophobicContact CG1-CD1 4.33Å; I3212-I3261 HydrophobicContact CG2-CD1 3.45Å; I3212-I3261 VanDerWaalsContact CG2-CD1 3.45Å; I3212-I3261 HydrophobicContact CG2-CG2 3.95Å
3213	A	28.9	Very low	29.4	Very low	15 Å²	15	99 Å²	99	12%	0.124	47%	0.469	C	S	.	.	H	α-helix	trans	-89.9	-19.9	178.5	0	0	0	0	0	113.2	L3210 L3216 F3217	L3210-A3213 HydrophobicContact CB-CB 4.09Å; L3210-A3213 WeakPolarHBondContact O-CA 3.24Å; L3210-A3213 WeakPolarHBondContact O-CB 3.4Å; L3210-A3213 PolarHBondContact O-N 2.74Å; A3213-L3216 WeakPolarHBondContact O-CB 3.37Å; A3213-L3216 PolarHBondContact O-N 3.31Å; A3213-F3217 WeakPolarHBondContact O-CD2 2.96Å; A3213-F3217 PolarHBondContact O-N 3.35Å; A3213-F3217 VanDerWaalsContact O-N 3.13Å
3214	H	27.6	Very low	29.3	Very low	96 Å²	96	100.6 Å²	100.6	44%	0.444	48%	0.477	S	S	.	.	H	α-helix	trans	-71	-33.1	-179	-151.9	39.4	0	0	0	112.7	L3210 F3217 E3218	L3210-H3214 PolarHBondContact O-N 3.07Å; H3214-F3217 PolarHBondContact O-N 3.41Å; H3214-E3218 PolarHBondContact O-N 2.69Å
3215	S	32.7	Very low	29.1	Very low	35 Å²	35	99.2 Å²	99.2	25%	0.245	49%	0.485	C	S	.	.	H	α-helix	trans	-69.5	-32.9	170.2	57.9	0	0	0	0	112.6	I3212	I3212-S3215 PolarHBondContact O-OG 3.22Å
3216	L	29.4	Very low	28.9	Very low	50 Å²	50	96.6 Å²	96.6	26%	0.262	48%	0.479	S	S	.	.	H	α-helix	trans	-64	-40.1	173.4	-96.2	105.3	0	0	0	112.4	I3212 A3213 S3219 I3261 Y3265	I3212-L3216 VanDerWaalsContact O-CD1 3.24Å; I3212-L3216 WeakPolarHBondContact O-CD1 3.34Å; A3213-L3216 WeakPolarHBondContact O-CB 3.37Å; A3213-L3216 PolarHBondContact O-N 3.31Å; L3216-S3219 PolarHBondContact O-OG 2.98Å; L3216-I3261 HydrophobicContact CD1-CG2 3.99Å; L3216-Y3265 HydrophobicContact CD2-CD2 3.24Å; L3216-Y3265 HydrophobicContact CD2-CE2 3.44Å; L3216-Y3265 VanDerWaalsContact CD2-CE2 3.44Å; L3216-Y3265 HydrophobicContact CD2-CG 4Å; L3216-Y3265 HydrophobicContact CG-CD2 3.79Å; L3216-Y3265 HydrophobicContact CG-CE2 4.14Å; L3216-Y3265 HydrophobicContact CG-CG 4.03Å
3217	F	31.1	Very low	28.7	Very low	127 Å²	127	98.1 Å²	98.1	56%	0.557	49%	0.486	S	S	*	.	H	α-helix	trans	-82.4	-28.9	-176.6	-89.8	-85	0	0	0	114.3	A3213 H3214 S3219 I3220 R3221	A3213-F3217 WeakPolarHBondContact O-CD2 2.96Å; A3213-F3217 PolarHBondContact O-N 3.35Å; A3213-F3217 VanDerWaalsContact O-N 3.13Å; H3214-F3217 PolarHBondContact O-N 3.41Å; F3217-S3219 VanDerWaalsContact C-N 3.3Å; F3217-S3219 PolarHBondContact O-N 3.31Å; F3217-I3220 PolarHBondContact O-N 3.21Å; F3217-R3221 PolarHBondContact O-N 3.17Å
3218	E	30	Very low	28.5	Very low	84 Å²	84	100 Å²	100	39%	0.393	51%	0.514	S	S	.	.	H	α-helix	trans	-71.8	-21.4	175.4	-77.3	-150.3	135.1	0	0	113.7	H3214 I3220 R3221 N3222	H3214-E3218 PolarHBondContact O-N 2.69Å; E3218-I3220 VanDerWaalsContact C-N 3.32Å; E3218-R3221 WeakPolarHBondContact O-CB 3.38Å; E3218-R3221 IonicContact OE1-CZ 2.67Å; E3218-R3221 IonicContact OE1-NH1 2.68Å; E3218-R3221 PolarHBondContact OE1-NH1 2.85Å; E3218-N3222 PolarHBondContact O-ND2 3.47Å; E3218-N3222 VanDerWaalsContact O-ND2 3.15Å
3219	S	31.4	Very low	28.2	Very low	44 Å²	44	101.3 Å²	101.3	31%	0.308	52%	0.52	S	S	.	.	H	α-helix	trans	-76.2	-19.6	175.7	76	0	0	0	0	113.8	L3216 F3217 Y3265	L3216-S3219 PolarHBondContact O-OG 2.98Å; F3217-S3219 VanDerWaalsContact C-N 3.3Å; F3217-S3219 PolarHBondContact O-N 3.31Å; S3219-Y3265 VanDerWaalsContact OG-CE1 3.24Å; S3219-Y3265 WeakPolarHBondContact OG-CE1 3.45Å
3220	I	33.9	Very low	27.9	Very low	72 Å²	72	95.1 Å²	95.1	37%	0.369	51%	0.509	S	S	.	.	H	α-helix	trans	-91.8	-34.7	176.7	-54.3	168.2	0	0	0	110.5	F3217 E3218 N3222 Y3265 L3273	F3217-I3220 PolarHBondContact O-N 3.21Å; E3218-I3220 VanDerWaalsContact C-N 3.32Å; I3220-N3222 PolarHBondContact O-N 2.89Å; I3220-N3222 VanDerWaalsContact O-N 3.11Å; I3220-Y3265 VanDerWaalsContact CD1-OH 3.26Å; I3220-Y3265 WeakPolarHBondContact CD1-OH 3.5Å; I3220-Y3265 WeakPolarHBondContact CG1-OH 3.16Å; I3220-L3273 HydrophobicContact CD1-CD2 3.7Å; I3220-L3273 HydrophobicContact CG1-CD2 4.29Å
3221	R	30.3	Very low	27.7	Very low	175 Å²	175	97.9 Å²	97.9	66%	0.66	54%	0.539	S	S	*	.	H	α-helix	trans	-51	-29	177.6	-177.9	-173	-178.4	168.9	6	114.2	F3217 E3218	F3217-R3221 PolarHBondContact O-N 3.17Å; E3218-R3221 WeakPolarHBondContact O-CB 3.38Å; E3218-R3221 IonicContact OE1-CZ 2.67Å; E3218-R3221 IonicContact OE1-NH1 2.68Å; E3218-R3221 PolarHBondContact OE1-NH1 2.85Å
3222	N	28.8	Very low	27.7	Very low	111 Å²	111	94 Å²	94	59%	0.594	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	16.4	-162.2	-62.3	-17	0	0	0	114.5	E3218 I3220	E3218-N3222 PolarHBondContact O-ND2 3.47Å; E3218-N3222 VanDerWaalsContact O-ND2 3.15Å; I3220-N3222 PolarHBondContact O-N 2.89Å; I3220-N3222 VanDerWaalsContact O-N 3.11Å
3223	N	27.5	Very low	27.4	Very low	95 Å²	95	96 Å²	96	51%	0.508	55%	0.545	S	S	.	.			trans	-78.9	137.3	164	-105.9	85.8	0	0	0	109
3224	I	25.2	Very low	27.2	Very low	116 Å²	116	104.9 Å²	104.9	60%	0.595	58%	0.575	S	S	*	*			cis	66.7	89.2	37.4	-52.3	172.5	0	0	0	110.3
3225	S	24.2	Very low	27.1	Very low	110 Å²	110	104 Å²	104	77%	0.769	57%	0.573	S	S	*	*				65.9	59.4	63.6	86.2	0	0	0	0	114.1
3226	T	23.8	Very low	26.7	Very low	88 Å²	88	107.5 Å²	107.5	54%	0.54	60%	0.597	S	S	.	*			trans	-153.5	115.2	161.9	45.2	0	0	0	0	109.6
3227	I	24.4	Very low	26.6	Very low	132 Å²	132	109.7 Å²	109.7	68%	0.677	61%	0.606	S	S	*	*				59.2	110.8	121.3	-54.6	158	0	0	0	113.8	Q3229	I3227-Q3229 VanDerWaalsContact C-N 3.32Å; I3227-Q3229 HydrophobicContact CG2-CB 4.21Å; I3227-Q3229 PolarHBondContact O-N 3.21Å
3228	G	24.2	Very low	26.3	Very low	75 Å²	75	110.1 Å²	110.1	77%	0.773	61%	0.61	S	S	*	*	S	Bend		65.5	32.8	55.8	0	0	0	0	0	112.3
3229	Q	22.4	Very low	26.2	Very low	167 Å²	167	115.9 Å²	115.9	78%	0.78	63%	0.628	S	S	*	*			trans	177.3	160.9	165.8	-100.3	156.8	14.2	0	0	109.3	I3227	I3227-Q3229 VanDerWaalsContact C-N 3.32Å; I3227-Q3229 HydrophobicContact CG2-CB 4.21Å; I3227-Q3229 PolarHBondContact O-N 3.21Å
3230	C	22.6	Very low	25.9	Very low	91 Å²	91	125.6 Å²	125.6	62%	0.615	66%	0.658	S	S	*	*			trans	89.1	59.4	174.2	-48.4	0	0	0	0	116.7	R3278	C3230-R3278 PolarHBondContact O-NH2 2.74Å
3231	A	26.1	Very low	25.5	Very low	105 Å²	105	125.1 Å²	125.1	87%	0.868	66%	0.657	S	S	*	*			trans	-79.4	107.6	134.9	0	0	0	0	0	108.1
3232	S	26.2	Very low	25.4	Very low	85 Å²	85	125.2 Å²	125.2	59%	0.594	67%	0.665	S	S	*	*			trans	169.8	137.5	156.2	55.3	0	0	0	0	108.8
3233	N	24.7	Very low	25.4	Very low	144 Å²	144	126.8 Å²	126.8	77%	0.77	67%	0.673	S	S	*	*			trans	109.4	120.3	162.8	-57.8	-4.3	0	0	0	116.1
3234	R	24.3	Very low	25.6	Very low	201 Å²	201	124.7 Å²	124.7	76%	0.758	67%	0.666	S	S	*	*			trans	-63.9	150	-178.3	-57.8	172.2	174.6	171.2	-7.8	111	E3237	R3234-E3237 VanDerWaalsContact C-OE2 3.3Å; R3234-E3237 VanDerWaalsContact CB-CD 3.48Å; R3234-E3237 WeakPolarHBondContact CB-OE1 3.4Å; R3234-E3237 WeakPolarHBondContact CB-OE2 3.44Å; R3234-E3237 WeakPolarHBondContact CD-OE1 3.3Å; R3234-E3237 IonicContact NH1-OE1 3.78Å
3235	I	25.2	Very low	26.3	Very low	78 Å²	78	123.8 Å²	123.8	40%	0.4	66%	0.662	S	S	.	*			trans	-139.4	40.3	-178.6	-35.4	-177.3	0	0	0	109	E3237 N3275	I3235-E3237 PolarHBondContact N-OE2 3.47Å; I3235-N3275 HydrophobicContact CD1-CB 3.7Å; I3235-N3275 VanDerWaalsContact CD1-CG 3.41Å; I3235-N3275 HydrophobicContact CG2-CB 4.4Å
3236	S	26.2	Very low	26.9	Very low	108 Å²	108	124.8 Å²	124.8	76%	0.755	65%	0.65	S	S	*	*	S	Bend	trans	-124.9	57.4	166.8	58.9	0	0	0	0	106.6
3237	E	26.2	Very low	27.7	Very low	95 Å²	95	126 Å²	126	44%	0.444	65%	0.649	S	S	.	*	S	Bend	trans	-154.8	-72.7	-175.8	-71	96.7	154.6	0	0	109.9	R3234 I3235 W3239	R3234-E3237 VanDerWaalsContact C-OE2 3.3Å; R3234-E3237 VanDerWaalsContact CB-CD 3.48Å; R3234-E3237 WeakPolarHBondContact CB-OE1 3.4Å; R3234-E3237 WeakPolarHBondContact CB-OE2 3.44Å; R3234-E3237 WeakPolarHBondContact CD-OE1 3.3Å; R3234-E3237 IonicContact NH1-OE1 3.78Å; I3235-E3237 PolarHBondContact N-OE2 3.47Å; E3237-W3239 VanDerWaalsContact C-N 3.28Å; E3237-W3239 PolarHBondContact O-N 3.25Å
3238	Q	25.1	Very low	28.6	Very low	136 Å²	136	124.7 Å²	124.7	64%	0.636	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	65.3	-171.7	-66.1	-179.7	-78.5	0	0	113.6	D3241	Q3238-D3241 PolarHBondContact NE2-OD2 3.3Å
3239	W	28.7	Very low	29.5	Very low	206 Å²	206	124.8 Å²	124.8	78%	0.78	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-8.1	151.4	-77.7	39.6	0	0	0	111.4	E3237	E3237-W3239 VanDerWaalsContact C-N 3.28Å; E3237-W3239 PolarHBondContact O-N 3.25Å
3240	W	24.9	Very low	30.7	Very low	248 Å²	248	118.7 Å²	118.7	94%	0.939	60%	0.599	S	S	*	*			trans	-122.5	57.5	177.8	-83.6	36.9	0	0	0	111.3
3241	D	25.5	Very low	31.9	Very low	62 Å²	62	118.8 Å²	118.8	33%	0.332	59%	0.59	S	S	.	*			trans	-99.4	116.9	161.8	-121.6	-25.8	0	0	0	107.4	Q3238 N3243 S3244	Q3238-D3241 PolarHBondContact NE2-OD2 3.3Å; D3241-N3243 HydrophobicContact CB-CB 4.3Å; D3241-N3243 PolarHBondContact O-N 2.85Å; D3241-N3243 PolarHBondContact OD1-ND2 3Å; D3241-S3244 PolarHBondContact O-OG 3.48Å
3242	E	28	Very low	32.7	Very low	177 Å²	177	115.1 Å²	115.1	83%	0.827	56%	0.555	S	S	*	*	S	Bend	trans	-71.8	-4.4	168.7	-78.9	-159.6	126.1	0	0	112	S3244	E3242-S3244 PolarHBondContact O-N 3.39Å
3243	N	29	Very low	33.7	Very low	144 Å²	144	112.6 Å²	112.6	77%	0.77	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	42	168.9	-62.7	-68.1	0	0	0	113.4	D3241	D3241-N3243 HydrophobicContact CB-CB 4.3Å; D3241-N3243 PolarHBondContact O-N 2.85Å; D3241-N3243 PolarHBondContact OD1-ND2 3Å
3244	S	30.5	Very low	35.1	Very low	51 Å²	51	111 Å²	111	36%	0.357	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.9	-28.9	-165.9	54.7	0	0	0	0	114.6	D3241 E3242 Q3248	D3241-S3244 PolarHBondContact O-OG 3.48Å; E3242-S3244 PolarHBondContact O-N 3.39Å; S3244-Q3248 VanDerWaalsContact O-CG 3.31Å; S3244-Q3248 WeakPolarHBondContact O-CG 3.43Å; S3244-Q3248 PolarHBondContact O-NE2 3.18Å; S3244-Q3248 PolarHBondContact O-OE1 2.92Å
3245	N	39.9	Very low	36.1	Very low	96 Å²	96	102.5 Å²	102.5	51%	0.513	49%	0.491	S	S	.	.			trans	59.6	131.5	-171.6	-63.8	8.5	0	0	0	115.6	E3247 Q3248	N3245-E3247 HydrophobicContact CB-CB 3.95Å; N3245-E3247 HydrophobicContact CB-CG 4.35Å; N3245-E3247 PolarHBondContact ND2-OE2 2.88Å; N3245-E3247 PolarHBondContact O-N 3.08Å; N3245-Q3248 PolarHBondContact O-N 3.38Å
3246	Y	37.5	Very low	37	Very low	132 Å²	132	101.6 Å²	101.6	52%	0.518	49%	0.487	S	S	.	.	H	α-helix	trans	-50.5	-26.3	165.8	177.6	-89.4	0	0	0	113	Q3248 L3249 S3250	Y3246-Q3248 PolarHBondContact O-N 2.84Å; Y3246-L3249 PolarHBondContact O-N 2.82Å; Y3246-S3250 PolarHBondContact O-N 3.36Å
3247	E	41.3	Very low	38.1	Very low	112 Å²	112	104.6 Å²	104.6	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-49.9	-37.8	173.4	-75.8	179.5	129.9	0	0	114	N3245 L3249 S3250 Q3251	N3245-E3247 HydrophobicContact CB-CB 3.95Å; N3245-E3247 HydrophobicContact CB-CG 4.35Å; N3245-E3247 PolarHBondContact ND2-OE2 2.88Å; N3245-E3247 PolarHBondContact O-N 3.08Å; E3247-L3249 VanDerWaalsContact C-N 3.29Å; E3247-L3249 PolarHBondContact O-N 2.91Å; E3247-S3250 PolarHBondContact O-N 2.92Å; E3247-Q3251 WeakPolarHBondContact O-CB 3.44Å; E3247-Q3251 WeakPolarHBondContact O-CG 3.46Å; E3247-Q3251 PolarHBondContact O-N 3.25Å
3248	Q	42.7	Very low	39.1	Very low	105 Å²	105	105.8 Å²	105.8	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-66.9	-34.8	-179.8	-67.3	-176.6	-2.4	0	0	111.7	S3244 N3245 Y3246 F3252	S3244-Q3248 VanDerWaalsContact O-CG 3.31Å; S3244-Q3248 WeakPolarHBondContact O-CG 3.43Å; S3244-Q3248 PolarHBondContact O-NE2 3.18Å; S3244-Q3248 PolarHBondContact O-OE1 2.92Å; N3245-Q3248 PolarHBondContact O-N 3.38Å; Y3246-Q3248 PolarHBondContact O-N 2.84Å; Q3248-F3252 VanDerWaalsContact O-CB 3.28Å; Q3248-F3252 WeakPolarHBondContact O-CB 3.43Å; Q3248-F3252 PolarHBondContact O-N 3.43Å
3249	L	43.5	Very low	39.8	Very low	77 Å²	77	108.1 Å²	108.1	40%	0.403	50%	0.5	S	S	.	.	H	α-helix	trans	-80.5	-35.6	179.3	-146	136.6	0	0	0	111.2	Y3246 E3247 F3252 I3253 W3306	Y3246-L3249 PolarHBondContact O-N 2.82Å; E3247-L3249 VanDerWaalsContact C-N 3.29Å; E3247-L3249 PolarHBondContact O-N 2.91Å; L3249-F3252 WeakPolarHBondContact O-CB 3.33Å; L3249-F3252 PolarHBondContact O-N 3.37Å; L3249-I3253 HydrophobicContact CD2-CD1 3.95Å; L3249-I3253 WeakPolarHBondContact O-CD1 3.4Å; L3249-I3253 VanDerWaalsContact O-CG1 3.27Å; L3249-I3253 WeakPolarHBondContact O-CG1 3.14Å; L3249-I3253 PolarHBondContact O-N 2.83Å; L3249-W3306 HydrophobicContact CD2-CH2 3.35Å; L3249-W3306 HydrophobicContact CD2-CZ2 3.93Å; L3249-W3306 HydrophobicContact CD2-CZ3 4.15Å
3250	S	47.9	Very low	40.5	Very low	40 Å²	40	102 Å²	102	28%	0.28	48%	0.48	S	S	.	.	H	α-helix	trans	-64.1	-45.2	169.3	-178.3	0	0	0	0	112.2	Y3246 E3247 I3253 Q3254	Y3246-S3250 PolarHBondContact O-N 3.36Å; E3247-S3250 PolarHBondContact O-N 2.92Å; S3250-I3253 PolarHBondContact O-N 3.2Å; S3250-Q3254 WeakPolarHBondContact O-CG 3.37Å; S3250-Q3254 PolarHBondContact O-N 3.07Å
3251	Q	47.6	Very low	41.4	Very low	93 Å²	93	93.1 Å²	93.1	44%	0.435	45%	0.45	S	S	.	.	H	α-helix	trans	-61	-44.6	173.1	-77.3	173.8	0.1	0	0	110.5	E3247 I3253 Q3254 L3255	E3247-Q3251 WeakPolarHBondContact O-CB 3.44Å; E3247-Q3251 WeakPolarHBondContact O-CG 3.46Å; E3247-Q3251 PolarHBondContact O-N 3.25Å; Q3251-I3253 VanDerWaalsContact C-N 3.33Å; Q3251-I3253 PolarHBondContact O-N 3.14Å; Q3251-Q3254 PolarHBondContact O-N 2.82Å; Q3251-L3255 WeakPolarHBondContact O-CB 3.49Å; Q3251-L3255 WeakPolarHBondContact O-CG 3.4Å; Q3251-L3255 PolarHBondContact O-N 3.33Å
3252	F	42.8	Very low	42	Very low	28 Å²	28	95.8 Å²	95.8	12%	0.123	46%	0.461	C	S	.	.	H	α-helix	trans	-56.5	-43.9	174.6	173.5	-105.8	0	0	0	112.9	Q3248 L3249 L3255 I3256 L3268 F3269	Q3248-F3252 VanDerWaalsContact O-CB 3.28Å; Q3248-F3252 WeakPolarHBondContact O-CB 3.43Å; Q3248-F3252 PolarHBondContact O-N 3.43Å; L3249-F3252 WeakPolarHBondContact O-CB 3.33Å; L3249-F3252 PolarHBondContact O-N 3.37Å; F3252-L3255 PolarHBondContact O-N 3.14Å; F3252-I3256 HydrophobicContact CD1-CD1 3.94Å; F3252-I3256 HydrophobicContact CD2-CD1 4.21Å; F3252-I3256 HydrophobicContact CE1-CD1 3.41Å; F3252-I3256 VanDerWaalsContact CE1-CD1 3.41Å; F3252-I3256 HydrophobicContact CE2-CD1 3.71Å; F3252-I3256 HydrophobicContact CE2-CG1 4.41Å; F3252-I3256 HydrophobicContact CG-CD1 4.32Å; F3252-I3256 HydrophobicContact CZ-CD1 3.3Å; F3252-I3256 HydrophobicContact CZ-CG1 4.43Å; F3252-I3256 WeakPolarHBondContact O-CG1 3.48Å; F3252-I3256 PolarHBondContact O-N 2.81Å; F3252-L3268 HydrophobicContact CB-CD1 3.71Å; F3252-L3268 HydrophobicContact CD1-CD1 4.27Å; F3252-L3268 HydrophobicContact CD2-CB 4.17Å; F3252-L3268 HydrophobicContact CD2-CD1 3.81Å; F3252-L3268 HydrophobicContact CE2-CB 4.47Å; F3252-L3268 HydrophobicContact CE2-CD1 4.46Å; F3252-L3268 HydrophobicContact CG-CD1 3.69Å; F3252-F3269 HydrophobicContact CE2-CE2 4.02Å; F3252-F3269 HydrophobicContact CZ-CE2 4.28Å
3253	I	46.7	Very low	42.7	Very low	31 Å²	31	91.8 Å²	91.8	16%	0.159	44%	0.442	C	S	.	.	H	α-helix	trans	-70	-37.9	178.1	-68.5	161	0	0	0	111.6	L3249 S3250 Q3251 I3256 K3257 W3306	L3249-I3253 HydrophobicContact CD2-CD1 3.95Å; L3249-I3253 WeakPolarHBondContact O-CD1 3.4Å; L3249-I3253 VanDerWaalsContact O-CG1 3.27Å; L3249-I3253 WeakPolarHBondContact O-CG1 3.14Å; L3249-I3253 PolarHBondContact O-N 2.83Å; S3250-I3253 PolarHBondContact O-N 3.2Å; Q3251-I3253 VanDerWaalsContact C-N 3.33Å; Q3251-I3253 PolarHBondContact O-N 3.14Å; I3253-I3256 PolarHBondContact O-N 3.03Å; I3253-K3257 HydrophobicContact CG2-CD 4.36Å; I3253-K3257 WeakPolarHBondContact O-CB 3.18Å; I3253-K3257 WeakPolarHBondContact O-CG 3.38Å; I3253-K3257 PolarHBondContact O-N 2.82Å; I3253-W3306 HydrophobicContact CD1-CD2 3.99Å; I3253-W3306 HydrophobicContact CD1-CH2 3.84Å; I3253-W3306 HydrophobicContact CD1-CZ2 3.16Å; I3253-W3306 HydrophobicContact CD1-CZ3 4.45Å
3254	Q	52.9	Low	43.1	Very low	110 Å²	110	85.2 Å²	85.2	51%	0.514	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-42.3	173.4	-74.8	-171	-4.2	0	0	111.7	S3250 Q3251 K3257 Q3258	S3250-Q3254 WeakPolarHBondContact O-CG 3.37Å; S3250-Q3254 PolarHBondContact O-N 3.07Å; Q3251-Q3254 PolarHBondContact O-N 2.82Å; Q3254-K3257 PolarHBondContact O-N 2.77Å; Q3254-Q3258 WeakPolarHBondContact O-CB 3.17Å; Q3254-Q3258 VanDerWaalsContact O-CG 3.27Å; Q3254-Q3258 WeakPolarHBondContact O-CG 3.5Å; Q3254-Q3258 PolarHBondContact O-N 2.77Å
3255	L	46.8	Very low	43.5	Very low	23 Å²	23	83.6 Å²	83.6	12%	0.12	39%	0.393	C	S	.	.	H	α-helix	trans	-64.8	-39.1	177.1	-68.9	169.3	0	0	0	111.8	Q3251 F3252 Q3258 K3259 Q3260 E3263	Q3251-L3255 WeakPolarHBondContact O-CB 3.49Å; Q3251-L3255 WeakPolarHBondContact O-CG 3.4Å; Q3251-L3255 PolarHBondContact O-N 3.33Å; F3252-L3255 PolarHBondContact O-N 3.14Å; L3255-Q3258 PolarHBondContact O-N 3.01Å; L3255-K3259 PolarHBondContact O-N 3.5Å; L3255-Q3260 HydrophobicContact CB-CB 4.41Å; L3255-Q3260 HydrophobicContact CD2-CB 3.94Å; L3255-Q3260 PolarHBondContact O-N 3.5Å; L3255-E3263 HydrophobicContact CD1-CB 4.21Å; L3255-E3263 HydrophobicContact CD2-CB 3.94Å
3256	I	43.9	Very low	43.8	Very low	60 Å²	60	85.1 Å²	85.1	31%	0.308	40%	0.395	S	S	.	.	H	α-helix	trans	-66.1	-44	172.5	-72.4	174.6	0	0	0	111.2	F3252 I3253 Q3258 K3259	F3252-I3256 HydrophobicContact CD1-CD1 3.94Å; F3252-I3256 HydrophobicContact CD2-CD1 4.21Å; F3252-I3256 HydrophobicContact CE1-CD1 3.41Å; F3252-I3256 VanDerWaalsContact CE1-CD1 3.41Å; F3252-I3256 HydrophobicContact CE2-CD1 3.71Å; F3252-I3256 HydrophobicContact CE2-CG1 4.41Å; F3252-I3256 HydrophobicContact CG-CD1 4.32Å; F3252-I3256 HydrophobicContact CZ-CD1 3.3Å; F3252-I3256 HydrophobicContact CZ-CG1 4.43Å; F3252-I3256 WeakPolarHBondContact O-CG1 3.48Å; F3252-I3256 PolarHBondContact O-N 2.81Å; I3253-I3256 PolarHBondContact O-N 3.03Å; I3256-Q3258 PolarHBondContact O-N 3.19Å; I3256-K3259 PolarHBondContact O-N 3.13Å
3257	K	49	Very low	44.1	Very low	171 Å²	171	81.9 Å²	81.9	74%	0.743	39%	0.39	S	S	*	.	H	α-helix	trans	-61.2	-32	174.8	-78.6	179.9	177.1	-178.4	0	112.2	I3253 Q3254	I3253-K3257 HydrophobicContact CG2-CD 4.36Å; I3253-K3257 WeakPolarHBondContact O-CB 3.18Å; I3253-K3257 WeakPolarHBondContact O-CG 3.38Å; I3253-K3257 PolarHBondContact O-N 2.82Å; Q3254-K3257 PolarHBondContact O-N 2.77Å
3258	Q	47.4	Very low	43.9	Very low	120 Å²	120	78.9 Å²	78.9	56%	0.561	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	6.2	179.6	-70.7	176.8	1.5	0	0	114.4	Q3254 L3255 I3256 Q3260	Q3254-Q3258 WeakPolarHBondContact O-CB 3.17Å; Q3254-Q3258 VanDerWaalsContact O-CG 3.27Å; Q3254-Q3258 WeakPolarHBondContact O-CG 3.5Å; Q3254-Q3258 PolarHBondContact O-N 2.77Å; L3255-Q3258 PolarHBondContact O-N 3.01Å; I3256-Q3258 PolarHBondContact O-N 3.19Å; Q3258-Q3260 HydrophobicContact CB-CG 4.27Å; Q3258-Q3260 PolarHBondContact O-N 2.96Å
3259	K	39.7	Very low	43.7	Very low	185 Å²	185	77.9 Å²	77.9	80%	0.804	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	21.8	-174	-60.2	-179	177	176.6	0	114.1	L3255 I3256 I3261	L3255-K3259 PolarHBondContact O-N 3.5Å; I3256-K3259 PolarHBondContact O-N 3.13Å; K3259-I3261 VanDerWaalsContact C-N 3.29Å; K3259-I3261 PolarHBondContact O-N 2.75Å; K3259-I3261 VanDerWaalsContact O-N 3.11Å
3260	Q	42.8	Very low	43.6	Very low	76 Å²	76	80 Å²	80	36%	0.355	38%	0.377	S	S	.	.			trans	-87.8	64.5	176.5	-71.4	-178.8	-34.6	0	0	110.9	L3255 Q3258 E3262 E3263 S3264	L3255-Q3260 HydrophobicContact CB-CB 4.41Å; L3255-Q3260 HydrophobicContact CD2-CB 3.94Å; L3255-Q3260 PolarHBondContact O-N 3.5Å; Q3258-Q3260 HydrophobicContact CB-CG 4.27Å; Q3258-Q3260 PolarHBondContact O-N 2.96Å; Q3260-E3262 VanDerWaalsContact C-N 3.3Å; Q3260-E3262 PolarHBondContact O-N 3.22Å; Q3260-E3263 HydrophobicContact CB-CB 4.45Å; Q3260-E3263 PolarHBondContact NE2-OE2 2.73Å; Q3260-E3263 PolarHBondContact O-N 2.88Å; Q3260-E3263 PolarHBondContact OE1-OE2 3.07Å; Q3260-S3264 PolarHBondContact O-N 3.26Å; Q3260-S3264 PolarHBondContact O-OG 3.09Å
3261	I	44.9	Very low	43.2	Very low	63 Å²	63	81.6 Å²	81.6	32%	0.323	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-31.5	-173.8	-59.1	175.3	0	0	0	112.2	I3212 L3216 K3259 S3264 Y3265	I3212-I3261 HydrophobicContact CD1-CD1 4.26Å; I3212-I3261 HydrophobicContact CG1-CD1 4.33Å; I3212-I3261 HydrophobicContact CG2-CD1 3.45Å; I3212-I3261 VanDerWaalsContact CG2-CD1 3.45Å; I3212-I3261 HydrophobicContact CG2-CG2 3.95Å; L3216-I3261 HydrophobicContact CD1-CG2 3.99Å; K3259-I3261 VanDerWaalsContact C-N 3.29Å; K3259-I3261 PolarHBondContact O-N 2.75Å; K3259-I3261 VanDerWaalsContact O-N 3.11Å; I3261-S3264 VanDerWaalsContact CA-OG 3.28Å; I3261-S3264 WeakPolarHBondContact CA-OG 3.49Å; I3261-S3264 PolarHBondContact O-OG 2.78Å; I3261-Y3265 WeakPolarHBondContact O-CB 3.4Å; I3261-Y3265 PolarHBondContact O-N 3.42Å
3262	E	38.4	Very low	42.7	Very low	117 Å²	117	82.2 Å²	82.2	55%	0.547	39%	0.389	S	S	.	.	H	α-helix	trans	-70.7	-37.7	177.3	-86.9	-173.5	143.1	0	0	113.6	Q3260 K3266	Q3260-E3262 VanDerWaalsContact C-N 3.3Å; Q3260-E3262 PolarHBondContact O-N 3.22Å; E3262-K3266 PolarHBondContact O-N 2.69Å
3263	E	40.9	Very low	42.3	Very low	94 Å²	94	82.6 Å²	82.6	44%	0.439	39%	0.392	S	S	.	.	H	α-helix	trans	-75.5	-38.1	179.9	-80.3	177.9	145.8	0	0	111.8	L3255 Q3260 Y3265 K3266 T3267	L3255-E3263 HydrophobicContact CD1-CB 4.21Å; L3255-E3263 HydrophobicContact CD2-CB 3.94Å; Q3260-E3263 HydrophobicContact CB-CB 4.45Å; Q3260-E3263 PolarHBondContact NE2-OE2 2.73Å; Q3260-E3263 PolarHBondContact O-N 2.88Å; Q3260-E3263 PolarHBondContact OE1-OE2 3.07Å; E3263-Y3265 VanDerWaalsContact C-N 3.28Å; E3263-Y3265 PolarHBondContact O-N 3.13Å; E3263-K3266 PolarHBondContact O-N 3.05Å; E3263-T3267 PolarHBondContact O-N 3.48Å; E3263-T3267 VanDerWaalsContact O-N 3.13Å; E3263-T3267 PolarHBondContact O-OG1 3.17Å
3264	S	39	Very low	41.5	Very low	5 Å²	5	89.4 Å²	89.4	4%	0.035	42%	0.416	C	S	.	.	H	α-helix	trans	-65.2	-30.3	174.5	35.8	0	0	0	0	112.7	Q3260 I3261 T3267 L3268	Q3260-S3264 PolarHBondContact O-N 3.26Å; Q3260-S3264 PolarHBondContact O-OG 3.09Å; I3261-S3264 VanDerWaalsContact CA-OG 3.28Å; I3261-S3264 WeakPolarHBondContact CA-OG 3.49Å; I3261-S3264 PolarHBondContact O-OG 2.78Å; S3264-T3267 WeakPolarHBondContact CA-OG1 3.41Å; S3264-T3267 PolarHBondContact O-OG1 3.42Å; S3264-L3268 PolarHBondContact O-N 2.8Å
3265	Y	38.7	Very low	40.5	Very low	17 Å²	17	86.6 Å²	86.6	7%	0.067	41%	0.405	C	S	.	.	H	α-helix	trans	-71.1	-41.5	171.6	177.6	-99.6	0	0	0	113.2	L3216 S3219 I3220 I3261 E3263 F3269 K3270 L3273	L3216-Y3265 HydrophobicContact CD2-CD2 3.24Å; L3216-Y3265 HydrophobicContact CD2-CE2 3.44Å; L3216-Y3265 VanDerWaalsContact CD2-CE2 3.44Å; L3216-Y3265 HydrophobicContact CD2-CG 4Å; L3216-Y3265 HydrophobicContact CG-CD2 3.79Å; L3216-Y3265 HydrophobicContact CG-CE2 4.14Å; L3216-Y3265 HydrophobicContact CG-CG 4.03Å; S3219-Y3265 VanDerWaalsContact OG-CE1 3.24Å; S3219-Y3265 WeakPolarHBondContact OG-CE1 3.45Å; I3220-Y3265 VanDerWaalsContact CD1-OH 3.26Å; I3220-Y3265 WeakPolarHBondContact CD1-OH 3.5Å; I3220-Y3265 WeakPolarHBondContact CG1-OH 3.16Å; I3261-Y3265 WeakPolarHBondContact O-CB 3.4Å; I3261-Y3265 PolarHBondContact O-N 3.42Å; E3263-Y3265 VanDerWaalsContact C-N 3.28Å; E3263-Y3265 PolarHBondContact O-N 3.13Å; Y3265-F3269 HydrophobicContact CD2-CB 3.51Å; Y3265-F3269 HydrophobicContact CD2-CD2 4.42Å; Y3265-F3269 HydrophobicContact CD2-CG 4.15Å; Y3265-F3269 HydrophobicContact CE2-CB 3.62Å; Y3265-F3269 HydrophobicContact CE2-CG 4.45Å; Y3265-F3269 HydrophobicContact CG-CB 4.33Å; Y3265-F3269 WeakPolarHBondContact O-CA 3.45Å; Y3265-F3269 WeakPolarHBondContact O-CB 3.24Å; Y3265-F3269 PolarHBondContact O-N 3.08Å; Y3265-K3270 PolarHBondContact O-N 2.98Å; Y3265-K3270 VanDerWaalsContact O-N 3.17Å; Y3265-L3273 HydrophobicContact CE2-CD1 3.94Å; Y3265-L3273 WeakPolarHBondContact OH-CD2 3.21Å
3266	K	45.9	Very low	39.7	Very low	128 Å²	128	90.7 Å²	90.7	56%	0.557	42%	0.422	S	S	*	.	H	α-helix	trans	-65.7	-38	179.1	-79.7	176.9	-177.9	170	0	113	E3262 E3263	E3262-K3266 PolarHBondContact O-N 2.69Å; E3263-K3266 PolarHBondContact O-N 3.05Å
3267	T	42.9	Very low	39.1	Very low	65 Å²	65	92.2 Å²	92.2	40%	0.399	43%	0.43	S	S	.	.	H	α-helix	trans	-73.1	-47.4	-178.4	25.5	0	0	0	0	112.1	E3263 S3264	E3263-T3267 PolarHBondContact O-N 3.48Å; E3263-T3267 VanDerWaalsContact O-N 3.13Å; E3263-T3267 PolarHBondContact O-OG1 3.17Å; S3264-T3267 WeakPolarHBondContact CA-OG1 3.41Å; S3264-T3267 PolarHBondContact O-OG1 3.42Å
3268	L	38.5	Very low	38.2	Very low	48 Å²	48	91.5 Å²	91.5	25%	0.251	42%	0.422	S	S	.	.	H	α-helix	trans	-105.2	-33.8	-168.5	-138.2	132.7	0	0	0	113.6	F3252 S3264 H3272	F3252-L3268 HydrophobicContact CB-CD1 3.71Å; F3252-L3268 HydrophobicContact CD1-CD1 4.27Å; F3252-L3268 HydrophobicContact CD2-CB 4.17Å; F3252-L3268 HydrophobicContact CD2-CD1 3.81Å; F3252-L3268 HydrophobicContact CE2-CB 4.47Å; F3252-L3268 HydrophobicContact CE2-CD1 4.46Å; F3252-L3268 HydrophobicContact CG-CD1 3.69Å; S3264-L3268 PolarHBondContact O-N 2.8Å; L3268-H3272 PolarHBondContact O-CD2 2.82Å
3269	F	38.3	Very low	37.4	Very low	85 Å²	85	90.2 Å²	90.2	37%	0.373	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-32.6	-169.6	-76.9	-83.7	0	0	0	114.4	F3252 Y3265 H3272 L3273	F3252-F3269 HydrophobicContact CE2-CE2 4.02Å; F3252-F3269 HydrophobicContact CZ-CE2 4.28Å; Y3265-F3269 HydrophobicContact CD2-CB 3.51Å; Y3265-F3269 HydrophobicContact CD2-CD2 4.42Å; Y3265-F3269 HydrophobicContact CD2-CG 4.15Å; Y3265-F3269 HydrophobicContact CE2-CB 3.62Å; Y3265-F3269 HydrophobicContact CE2-CG 4.45Å; Y3265-F3269 HydrophobicContact CG-CB 4.33Å; Y3265-F3269 WeakPolarHBondContact O-CA 3.45Å; Y3265-F3269 WeakPolarHBondContact O-CB 3.24Å; Y3265-F3269 PolarHBondContact O-N 3.08Å; F3269-H3272 PolarHBondContact O-N 3.39Å; F3269-L3273 HydrophobicContact CB-CD1 4.1Å; F3269-L3273 WeakPolarHBondContact O-CB 3.32Å; F3269-L3273 WeakPolarHBondContact O-CD1 3.28Å; F3269-L3273 PolarHBondContact O-N 2.9Å
3270	K	40.1	Very low	36.9	Very low	121 Å²	121	86.1 Å²	86.1	53%	0.526	41%	0.411	S	S	.	.	H	α-helix	trans	-60.2	-41.2	-178.2	-167.7	178	-178	179.7	0	114.5	Y3265	Y3265-K3270 PolarHBondContact O-N 2.98Å; Y3265-K3270 VanDerWaalsContact O-N 3.17Å
3271	P	39.2	Very low	36.3	Very low	74 Å²	74	86.8 Å²	86.8	48%	0.481	42%	0.417	S	S	.	.	H	α-helix	trans	-70.3	-34	177	-16.7	31.4	0	0	0	112.7
3272	H	37.4	Very low	35.7	Very low	106 Å²	106	91.9 Å²	91.9	49%	0.491	44%	0.437	S	S	.	.	H	α-helix	trans	-90.9	-16.4	-175.3	-58.4	-48	0	0	0	113.9	L3268 F3269 R3274 N3275 F3276	L3268-H3272 PolarHBondContact O-CD2 2.82Å; F3269-H3272 PolarHBondContact O-N 3.39Å; H3272-R3274 VanDerWaalsContact C-N 3.33Å; H3272-R3274 PolarHBondContact O-N 2.87Å; H3272-N3275 WeakPolarHBondContact O-CB 3.45Å; H3272-N3275 PolarHBondContact O-N 2.85Å; H3272-F3276 WeakPolarHBondContact O-CB 3.46Å; H3272-F3276 PolarHBondContact O-N 3.36Å
3273	L	34.1	Very low	35.2	Very low	36 Å²	36	92.3 Å²	92.3	19%	0.188	44%	0.443	C	S	.	.	H	α-helix	trans	-63.2	-35.2	176.5	-127	94.9	0	0	0	112.7	I3220 Y3265 F3269 N3275 F3276 I3277	I3220-L3273 HydrophobicContact CD1-CD2 3.7Å; I3220-L3273 HydrophobicContact CG1-CD2 4.29Å; Y3265-L3273 HydrophobicContact CE2-CD1 3.94Å; Y3265-L3273 WeakPolarHBondContact OH-CD2 3.21Å; F3269-L3273 HydrophobicContact CB-CD1 4.1Å; F3269-L3273 WeakPolarHBondContact O-CB 3.32Å; F3269-L3273 WeakPolarHBondContact O-CD1 3.28Å; F3269-L3273 PolarHBondContact O-N 2.9Å; L3273-N3275 PolarHBondContact O-N 2.81Å; L3273-F3276 PolarHBondContact O-N 2.75Å; L3273-I3277 HydrophobicContact CD2-CD1 3.94Å; L3273-I3277 HydrophobicContact CG-CD1 4.4Å; L3273-I3277 WeakPolarHBondContact O-CB 3.48Å; L3273-I3277 WeakPolarHBondContact O-CD1 3.31Å; L3273-I3277 WeakPolarHBondContact O-CG1 3.37Å; L3273-I3277 PolarHBondContact O-N 2.85Å
3274	R	31.3	Very low	34.5	Very low	173 Å²	173	92.4 Å²	92.4	65%	0.653	44%	0.443	S	S	*	.	H	α-helix	trans	-62.8	-32.2	176.4	-98	-178.5	173.4	177	-2.7	112.2	H3272 R3278	H3272-R3274 VanDerWaalsContact C-N 3.33Å; H3272-R3274 PolarHBondContact O-N 2.87Å; R3274-R3278 WeakPolarHBondContact O-CG 3.33Å; R3274-R3278 PolarHBondContact O-N 2.77Å
3275	N	32.4	Very low	33.9	Very low	52 Å²	52	99 Å²	99	28%	0.278	47%	0.469	S	S	.	.	H	α-helix	trans	-77.4	-47.3	179	-51.1	-8.1	0	0	0	109.1	I3235 H3272 L3273 I3277 R3278 S3279	I3235-N3275 HydrophobicContact CD1-CB 3.7Å; I3235-N3275 VanDerWaalsContact CD1-CG 3.41Å; I3235-N3275 HydrophobicContact CG2-CB 4.4Å; H3272-N3275 WeakPolarHBondContact O-CB 3.45Å; H3272-N3275 PolarHBondContact O-N 2.85Å; L3273-N3275 PolarHBondContact O-N 2.81Å; N3275-I3277 PolarHBondContact O-N 2.89Å; N3275-R3278 WeakPolarHBondContact O-CB 3.08Å; N3275-R3278 PolarHBondContact O-N 3.42Å; N3275-R3278 VanDerWaalsContact O-N 3.1Å; N3275-S3279 PolarHBondContact O-N 3.29Å
3276	F	29.7	Very low	33.3	Very low	108 Å²	108	102.7 Å²	102.7	47%	0.474	48%	0.483	S	S	.	.	H	α-helix	trans	-61.5	-38.4	179.2	-169.2	-104.2	0	0	0	113.2	H3272 L3273 R3278 S3279 M3280	H3272-F3276 WeakPolarHBondContact O-CB 3.46Å; H3272-F3276 PolarHBondContact O-N 3.36Å; L3273-F3276 PolarHBondContact O-N 2.75Å; F3276-R3278 VanDerWaalsContact C-N 3.34Å; F3276-S3279 PolarHBondContact O-OG 3.08Å; F3276-S3279 VanDerWaalsContact O-OG 3.12Å; F3276-M3280 HydrophobicContact CD1-CE 3.99Å; F3276-M3280 HydrophobicContact CE1-CE 3.21Å; F3276-M3280 HydrophobicContact CE1-SD 4.24Å; F3276-M3280 HydrophobicContact CZ-CE 3.53Å
3277	I	31.4	Very low	32.4	Very low	93 Å²	93	98.9 Å²	98.9	48%	0.477	47%	0.47	S	S	.	.	H	α-helix	trans	-71.3	-28.4	175.6	-68.4	166.9	0	0	0	111.6	L3273 N3275 N3281	L3273-I3277 HydrophobicContact CD2-CD1 3.94Å; L3273-I3277 HydrophobicContact CG-CD1 4.4Å; L3273-I3277 WeakPolarHBondContact O-CB 3.48Å; L3273-I3277 WeakPolarHBondContact O-CD1 3.31Å; L3273-I3277 WeakPolarHBondContact O-CG1 3.37Å; L3273-I3277 PolarHBondContact O-N 2.85Å; N3275-I3277 PolarHBondContact O-N 2.89Å; I3277-N3281 PolarHBondContact O-ND2 3.42Å
3278	R	29.4	Very low	31.8	Very low	156 Å²	156	101.8 Å²	101.8	59%	0.589	48%	0.478	S	S	*	.	H	α-helix	trans	-73.6	-28.9	177.7	-82.4	176.4	170.1	-174.8	-7.9	113.1	C3230 R3274 N3275 F3276 N3281	C3230-R3278 PolarHBondContact O-NH2 2.74Å; R3274-R3278 WeakPolarHBondContact O-CG 3.33Å; R3274-R3278 PolarHBondContact O-N 2.77Å; N3275-R3278 WeakPolarHBondContact O-CB 3.08Å; N3275-R3278 PolarHBondContact O-N 3.42Å; N3275-R3278 VanDerWaalsContact O-N 3.1Å; F3276-R3278 VanDerWaalsContact C-N 3.34Å; R3278-N3281 VanDerWaalsContact C-ND2 3.27Å; R3278-N3281 WeakPolarHBondContact CA-ND2 3.44Å; R3278-N3281 PolarHBondContact O-ND2 3.38Å
3279	S	29.4	Very low	31.3	Very low	93 Å²	93	104.8 Å²	104.8	65%	0.65	49%	0.492	S	S	*	.	H	α-helix	trans	-83	-18.3	176.8	62.9	0	0	0	0	114.2	N3275 F3276 N3281	N3275-S3279 PolarHBondContact O-N 3.29Å; F3276-S3279 PolarHBondContact O-OG 3.08Å; F3276-S3279 VanDerWaalsContact O-OG 3.12Å; S3279-N3281 PolarHBondContact O-N 3.02Å
3280	M	30.5	Very low	31.3	Very low	99 Å²	99	102.7 Å²	102.7	49%	0.488	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	10.4	178.7	-79.2	-167.6	169.2	0	0	115.4	F3276	F3276-M3280 HydrophobicContact CD1-CE 3.99Å; F3276-M3280 HydrophobicContact CE1-CE 3.21Å; F3276-M3280 HydrophobicContact CE1-SD 4.24Å; F3276-M3280 HydrophobicContact CZ-CE 3.53Å
3281	N	30.7	Very low	31	Very low	89 Å²	89	100.6 Å²	100.6	48%	0.476	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-16.9	-166.6	-60.4	-71.4	0	0	0	118.3	I3277 R3278 S3279 Q3284	I3277-N3281 PolarHBondContact O-ND2 3.42Å; R3278-N3281 VanDerWaalsContact C-ND2 3.27Å; R3278-N3281 WeakPolarHBondContact CA-ND2 3.44Å; R3278-N3281 PolarHBondContact O-ND2 3.38Å; S3279-N3281 PolarHBondContact O-N 3.02Å; N3281-Q3284 PolarHBondContact O-NE2 3.44Å
3282	K	31	Very low	30.8	Very low	170 Å²	170	100.9 Å²	100.9	74%	0.739	48%	0.477	S	S	*	.	S	Bend	trans	-79	-62.9	175.8	-84	-167.4	177.2	-178	0	111.2	D2738 Q3284	D2738-K3282 IonicContact OD2-NZ 3.64Å; D2738-K3282 PolarHBondContact OD2-NZ 2.87Å; D2738-K3282 VanDerWaalsContact OD2-NZ 3.15Å; K3282-Q3284 PolarHBondContact O-N 3.2Å
3283	N	27.4	Very low	30.9	Very low	127 Å²	127	98.2 Å²	98.2	68%	0.679	47%	0.465	S	S	*	.	S	Bend	trans	-93.7	59.9	-167.6	-55	80	0	0	0	114.2	Y3285	N3283-Y3285 VanDerWaalsContact C-N 3.35Å; N3283-Y3285 PolarHBondContact O-N 3Å
3284	Q	26.6	Very low	31.3	Very low	95 Å²	95	98.4 Å²	98.4	44%	0.444	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.3	-164.4	-59.2	-174.4	28.3	0	0	116.7	N3281 K3282 Y3286	N3281-Q3284 PolarHBondContact O-NE2 3.44Å; K3282-Q3284 PolarHBondContact O-N 3.2Å; Q3284-Y3286 PolarHBondContact O-N 3.13Å
3285	Y	26.1	Very low	31.9	Very low	145 Å²	145	93.4 Å²	93.4	57%	0.569	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-0	-171	-49.9	-38.9	0	0	0	115.9	E2977 N3283	E2977-Y3285 WeakPolarHBondContact OE1-CD2 3.19Å; E2977-Y3285 VanDerWaalsContact OE1-CE2 3.25Å; E2977-Y3285 WeakPolarHBondContact OE1-CE2 3.43Å; N3283-Y3285 VanDerWaalsContact C-N 3.35Å; N3283-Y3285 PolarHBondContact O-N 3Å
3286	Y	27.3	Very low	32.6	Very low	93 Å²	93	94.8 Å²	94.8	37%	0.365	46%	0.455	S	S	.	.	S	Bend	trans	-122.1	121.2	-166.9	-63.4	-84.1	0	0	0	112.1	W3171 Q3284 K3288	W3171-Y3286 AromaticContact CE3-CD1 3.21Å; W3171-Y3286 HydrophobicContact CE3-CD1 3.21Å; W3171-Y3286 HydrophobicContact CE3-CD2 4.24Å; W3171-Y3286 AromaticContact CE3-CE1 3.3Å; W3171-Y3286 HydrophobicContact CE3-CE1 3.3Å; W3171-Y3286 HydrophobicContact CE3-CE2 4.32Å; W3171-Y3286 AromaticContact CE3-CG 3.68Å; W3171-Y3286 HydrophobicContact CE3-CG 3.68Å; W3171-Y3286 AromaticContact CE3-CZ 3.86Å; W3171-Y3286 HydrophobicContact CH2-CD2 4.32Å; W3171-Y3286 HydrophobicContact CH2-CE2 4.4Å; W3171-Y3286 HydrophobicContact CH2-CG 4.41Å; W3171-Y3286 AromaticContact CZ3-CD1 3.32Å; W3171-Y3286 HydrophobicContact CZ3-CD1 3.32Å; W3171-Y3286 AromaticContact CZ3-CD2 3.44Å; W3171-Y3286 HydrophobicContact CZ3-CD2 3.44Å; W3171-Y3286 VanDerWaalsContact CZ3-CD2 3.44Å; W3171-Y3286 AromaticContact CZ3-CE1 3.38Å; W3171-Y3286 HydrophobicContact CZ3-CE1 3.38Å; W3171-Y3286 AromaticContact CZ3-CE2 3.52Å; W3171-Y3286 HydrophobicContact CZ3-CE2 3.52Å; W3171-Y3286 AromaticContact CZ3-CG 3.3Å; W3171-Y3286 HydrophobicContact CZ3-CG 3.3Å; W3171-Y3286 AromaticContact CZ3-CZ 3.46Å; W3171-Y3286 VanDerWaalsContact CZ3-CZ 3.46Å; Q3284-Y3286 PolarHBondContact O-N 3.13Å; Y3286-K3288 PolarHBondContact O-N 2.97Å
3287	V	27.1	Very low	33.4	Very low	48 Å²	48	89.9 Å²	89.9	29%	0.291	43%	0.434	S	S	.	.			trans	-85.8	98	-177.5	-174.3	0	0	0	0	109.5	P3174 I3178 I3182 M3289	P3174-V3287 HydrophobicContact CB-CB 4.43Å; P3174-V3287 HydrophobicContact CB-CG2 4.11Å; P3174-V3287 HydrophobicContact CG-CB 4.38Å; P3174-V3287 HydrophobicContact CG-CG2 3.83Å; I3178-V3287 HydrophobicContact CG2-CG1 4.49Å; I3178-V3287 HydrophobicContact CG2-CG2 4.23Å; I3182-V3287 HydrophobicContact CD1-CB 4.14Å; I3182-V3287 HydrophobicContact CD1-CG1 3.81Å; I3182-V3287 HydrophobicContact CD1-CG2 3.18Å; V3287-M3289 PolarHBondContact O-N 3.01Å; V3287-M3289 VanDerWaalsContact O-N 3.11Å
3288	K	29.9	Very low	34.1	Very low	127 Å²	127	88.4 Å²	88.4	55%	0.552	42%	0.424	S	S	*	.			trans	-73.1	92.8	172.3	-89.9	-172.5	165.7	-173.6	0	110.6	Y3286 Y3290	Y3286-K3288 PolarHBondContact O-N 2.97Å; K3288-Y3290 VanDerWaalsContact C-N 3.3Å; K3288-Y3290 HydrophobicContact CB-CD2 3.36Å; K3288-Y3290 HydrophobicContact CB-CE2 3.64Å; K3288-Y3290 HydrophobicContact CB-CG 4.2Å; K3288-Y3290 HydrophobicContact CD-CD2 3.77Å; K3288-Y3290 HydrophobicContact CD-CE1 4.35Å; K3288-Y3290 HydrophobicContact CD-CE2 3.15Å; K3288-Y3290 VanDerWaalsContact CD-CZ 3.48Å; K3288-Y3290 VanDerWaalsContact CE-CZ 3.42Å; K3288-Y3290 WeakPolarHBondContact CE-OH 3.39Å; K3288-Y3290 HydrophobicContact CG-CD2 3.59Å; K3288-Y3290 HydrophobicContact CG-CE2 3.25Å; K3288-Y3290 PolarHBondContact NZ-OH 2.88Å; K3288-Y3290 PolarHBondContact O-N 3.24Å
3289	M	27.5	Very low	34.9	Very low	110 Å²	110	85.1 Å²	85.1	54%	0.542	42%	0.421	S	S	.	.			trans	-74.7	85	165.2	-80.6	-140.4	-64.1	0	0	109.8	F3117 V3287	F3117-M3289 HydrophobicContact CD1-CE 3.77Å; F3117-M3289 HydrophobicContact CD2-CE 4.39Å; F3117-M3289 HydrophobicContact CE1-CE 3.05Å; F3117-M3289 HydrophobicContact CE2-CE 3.74Å; F3117-M3289 HydrophobicContact CG-CE 4.38Å; F3117-M3289 HydrophobicContact CZ-CE 3.01Å; V3287-M3289 PolarHBondContact O-N 3.01Å; V3287-M3289 VanDerWaalsContact O-N 3.11Å
3290	Y	38.3	Very low	36	Very low	41 Å²	41	84.6 Å²	84.6	16%	0.161	41%	0.408	C	S	.	.			trans	-96.3	-21.3	-167.2	-105.8	-124.7	0	0	0	114.6	Y3168 K3288 L3294	Y3168-Y3290 WeakPolarHBondContact CB-OH 3.13Å; Y3168-Y3290 HydrophobicContact CD2-CE1 4.03Å; Y3168-Y3290 HydrophobicContact CG-CE1 4.03Å; Y3168-Y3290 WeakPolarHBondContact O-CE2 3.08Å; Y3168-Y3290 PolarHBondContact O-OH 2.85Å; K3288-Y3290 VanDerWaalsContact C-N 3.3Å; K3288-Y3290 HydrophobicContact CB-CD2 3.36Å; K3288-Y3290 HydrophobicContact CB-CE2 3.64Å; K3288-Y3290 HydrophobicContact CB-CG 4.2Å; K3288-Y3290 HydrophobicContact CD-CD2 3.77Å; K3288-Y3290 HydrophobicContact CD-CE1 4.35Å; K3288-Y3290 HydrophobicContact CD-CE2 3.15Å; K3288-Y3290 VanDerWaalsContact CD-CZ 3.48Å; K3288-Y3290 VanDerWaalsContact CE-CZ 3.42Å; K3288-Y3290 WeakPolarHBondContact CE-OH 3.39Å; K3288-Y3290 HydrophobicContact CG-CD2 3.59Å; K3288-Y3290 HydrophobicContact CG-CE2 3.25Å; K3288-Y3290 PolarHBondContact NZ-OH 2.88Å; K3288-Y3290 PolarHBondContact O-N 3.24Å; Y3290-L3294 HydrophobicContact CD1-CD1 3.53Å; Y3290-L3294 HydrophobicContact CE1-CD1 4.39Å; Y3290-L3294 HydrophobicContact CG-CD1 4.18Å; Y3290-L3294 WeakPolarHBondContact O-CB 3.46Å; Y3290-L3294 VanDerWaalsContact O-CD1 3.24Å; Y3290-L3294 WeakPolarHBondContact O-CD1 3.49Å; Y3290-L3294 VanDerWaalsContact O-CG 3.28Å; Y3290-L3294 WeakPolarHBondContact O-CG 3.3Å; Y3290-L3294 PolarHBondContact O-N 2.9Å
3291	I	33.5	Very low	37.2	Very low	78 Å²	78	80 Å²	80	40%	0.4	39%	0.386	S	S	.	.	H	α-helix	trans	-84.9	-42.5	-155.9	-59.7	174.3	0	0	0	115	I3295	I3291-I3295 HydrophobicContact CG2-CD1 3.48Å; I3291-I3295 VanDerWaalsContact CG2-CD1 3.48Å; I3291-I3295 HydrophobicContact CG2-CG1 4.19Å; I3291-I3295 WeakPolarHBondContact O-CB 3.37Å; I3291-I3295 WeakPolarHBondContact O-CD1 3.31Å; I3291-I3295 WeakPolarHBondContact O-CG1 3.32Å; I3291-I3295 PolarHBondContact O-N 3.09Å
3292	P	34.9	Very low	38.4	Very low	80 Å²	80	77.7 Å²	77.7	52%	0.519	38%	0.375	S	S	.	.	H	α-helix	trans	-70.4	-39.2	-175.1	-20.3	33	0	0	0	114.1	K3296	P3292-K3296 WeakPolarHBondContact O-CB 3.16Å; P3292-K3296 PolarHBondContact O-N 2.96Å
3293	Q	41.3	Very low	39.7	Very low	50 Å²	50	72.8 Å²	72.8	23%	0.234	36%	0.36	C	S	.	.	H	α-helix	trans	-75.3	-38.8	177.7	-70.4	130.6	-33	0	0	111.5	K3296 I3297	Q3293-K3296 CarbonylContact O-C 3.59Å; Q3293-K3296 PolarHBondContact O-N 2.82Å; Q3293-I3297 VanDerWaalsContact O-CB 3.23Å; Q3293-I3297 WeakPolarHBondContact O-CB 3.21Å; Q3293-I3297 WeakPolarHBondContact O-CD1 3.5Å; Q3293-I3297 WeakPolarHBondContact O-CG1 3.09Å; Q3293-I3297 PolarHBondContact O-N 3.4Å
3294	L	42.1	Very low	41.4	Very low	39 Å²	39	71 Å²	71	20%	0.204	35%	0.346	C	S	.	.	H	α-helix	trans	-58.7	-46.8	170.1	-86.9	169.7	0	0	0	111.3	Y3168 Y3290 K3296 I3297 F3298	Y3168-L3294 HydrophobicContact CD1-CD2 4.35Å; Y3168-L3294 HydrophobicContact CE1-CD2 3.61Å; Y3168-L3294 HydrophobicContact CE1-CG 4.14Å; Y3168-L3294 HydrophobicContact CE2-CD2 3.87Å; Y3168-L3294 WeakPolarHBondContact OH-CD2 3.2Å; Y3290-L3294 HydrophobicContact CD1-CD1 3.53Å; Y3290-L3294 HydrophobicContact CE1-CD1 4.39Å; Y3290-L3294 HydrophobicContact CG-CD1 4.18Å; Y3290-L3294 WeakPolarHBondContact O-CB 3.46Å; Y3290-L3294 VanDerWaalsContact O-CD1 3.24Å; Y3290-L3294 WeakPolarHBondContact O-CD1 3.49Å; Y3290-L3294 VanDerWaalsContact O-CG 3.28Å; Y3290-L3294 WeakPolarHBondContact O-CG 3.3Å; Y3290-L3294 PolarHBondContact O-N 2.9Å; L3294-K3296 VanDerWaalsContact C-N 3.35Å; L3294-K3296 PolarHBondContact O-N 2.68Å; L3294-I3297 WeakPolarHBondContact O-CB 3.46Å; L3294-I3297 PolarHBondContact O-N 3.44Å; L3294-F3298 HydrophobicContact CD2-CD2 3.95Å; L3294-F3298 HydrophobicContact CD2-CE2 3.58Å; L3294-F3298 WeakPolarHBondContact O-CB 3.5Å; L3294-F3298 VanDerWaalsContact O-CD2 3.28Å; L3294-F3298 WeakPolarHBondContact O-CD2 3.11Å; L3294-F3298 PolarHBondContact O-N 3.03Å
3295	I	42.4	Very low	42.8	Very low	68 Å²	68	67.3 Å²	67.3	35%	0.349	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-47.7	175.1	-70.4	169.4	0	0	0	109.7	I3291 I3297 F3298 T3299	I3291-I3295 HydrophobicContact CG2-CD1 3.48Å; I3291-I3295 VanDerWaalsContact CG2-CD1 3.48Å; I3291-I3295 HydrophobicContact CG2-CG1 4.19Å; I3291-I3295 WeakPolarHBondContact O-CB 3.37Å; I3291-I3295 WeakPolarHBondContact O-CD1 3.31Å; I3291-I3295 WeakPolarHBondContact O-CG1 3.32Å; I3291-I3295 PolarHBondContact O-N 3.09Å; I3295-I3297 VanDerWaalsContact C-N 3.3Å; I3295-I3297 PolarHBondContact O-N 2.98Å; I3295-F3298 PolarHBondContact O-N 2.9Å; I3295-T3299 HydrophobicContact CG2-CG2 3.92Å; I3295-T3299 WeakPolarHBondContact O-CA 3.14Å; I3295-T3299 WeakPolarHBondContact O-CB 3.36Å; I3295-T3299 VanDerWaalsContact O-CG2 3.24Å; I3295-T3299 WeakPolarHBondContact O-CG2 3.37Å; I3295-T3299 PolarHBondContact O-N 3.44Å; I3295-T3299 PolarHBondContact O-OG1 3.47Å
3296	K	48	Very low	44.5	Very low	81 Å²	81	62.7 Å²	62.7	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-62.7	-36.2	177.9	-162	175.2	-177.6	-174.9	0	112.2	N3125 P3292 Q3293 L3294 H3300 Y3301	N3125-K3296 PolarHBondContact OD1-NZ 2.71Å; P3292-K3296 WeakPolarHBondContact O-CB 3.16Å; P3292-K3296 PolarHBondContact O-N 2.96Å; Q3293-K3296 CarbonylContact O-C 3.59Å; Q3293-K3296 PolarHBondContact O-N 2.82Å; L3294-K3296 VanDerWaalsContact C-N 3.35Å; L3294-K3296 PolarHBondContact O-N 2.68Å; K3296-H3300 HydrophobicContact CG-CB 4.24Å; K3296-H3300 VanDerWaalsContact O-CA 3.31Å; K3296-H3300 WeakPolarHBondContact O-CA 3.44Å; K3296-H3300 WeakPolarHBondContact O-CB 3.42Å; K3296-H3300 PolarHBondContact O-N 3.18Å; K3296-Y3301 PolarHBondContact O-N 3.06Å
3297	I	46.1	Very low	46	Very low	5 Å²	5	61.8 Å²	61.8	3%	0.026	32%	0.317	C	S	.	.	I	π-helix	trans	-63	-54.7	174.1	-75.7	169.1	0	0	0	111.2	M3164 Y3168 Q3293 L3294 I3295 Y3301 V3302	M3164-I3297 HydrophobicContact CE-CB 3.9Å; M3164-I3297 HydrophobicContact CE-CD1 3.57Å; M3164-I3297 HydrophobicContact CE-CG1 3.57Å; M3164-I3297 HydrophobicContact CE-CG2 3.13Å; M3164-I3297 HydrophobicContact SD-CD1 3.88Å; M3164-I3297 HydrophobicContact SD-CG1 4.33Å; Y3168-I3297 HydrophobicContact CE1-CD1 3.73Å; Q3293-I3297 VanDerWaalsContact O-CB 3.23Å; Q3293-I3297 WeakPolarHBondContact O-CB 3.21Å; Q3293-I3297 WeakPolarHBondContact O-CD1 3.5Å; Q3293-I3297 WeakPolarHBondContact O-CG1 3.09Å; Q3293-I3297 PolarHBondContact O-N 3.4Å; L3294-I3297 WeakPolarHBondContact O-CB 3.46Å; L3294-I3297 PolarHBondContact O-N 3.44Å; I3295-I3297 VanDerWaalsContact C-N 3.3Å; I3295-I3297 PolarHBondContact O-N 2.98Å; I3297-Y3301 HydrophobicContact CG1-CD2 4.06Å; I3297-Y3301 PolarHBondContact O-N 3.41Å; I3297-Y3301 VanDerWaalsContact O-N 3.08Å; I3297-V3302 HydrophobicContact CG2-CG2 4.46Å; I3297-V3302 WeakPolarHBondContact O-CG2 3.34Å; I3297-V3302 PolarHBondContact O-N 2.74Å
3298	F	47.1	Very low	47.4	Very low	63 Å²	63	62.4 Å²	62.4	28%	0.276	31%	0.314	S	S	.	.	I	π-helix	trans	-73.3	-27.2	-177.2	-81.5	-80.5	0	0	0	113.3	W3161 L3294 I3295 V3302	W3161-F3298 HydrophobicContact CH2-CZ 4.19Å; L3294-F3298 HydrophobicContact CD2-CD2 3.95Å; L3294-F3298 HydrophobicContact CD2-CE2 3.58Å; L3294-F3298 WeakPolarHBondContact O-CB 3.5Å; L3294-F3298 VanDerWaalsContact O-CD2 3.28Å; L3294-F3298 WeakPolarHBondContact O-CD2 3.11Å; L3294-F3298 PolarHBondContact O-N 3.03Å; I3295-F3298 PolarHBondContact O-N 2.9Å; F3298-V3302 HydrophobicContact CD1-CG2 4.16Å
3299	T	45.7	Very low	48.4	Very low	86 Å²	86	59.4 Å²	59.4	53%	0.528	30%	0.3	S	S	.	.	I	π-helix	trans	-98.1	-23.5	-179.1	63.4	0	0	0	0	114.4	I3295	I3295-T3299 HydrophobicContact CG2-CG2 3.92Å; I3295-T3299 WeakPolarHBondContact O-CA 3.14Å; I3295-T3299 WeakPolarHBondContact O-CB 3.36Å; I3295-T3299 VanDerWaalsContact O-CG2 3.24Å; I3295-T3299 WeakPolarHBondContact O-CG2 3.37Å; I3295-T3299 PolarHBondContact O-N 3.44Å; I3295-T3299 PolarHBondContact O-OG1 3.47Å
3300	H	53.3	Low	49.6	Very low	82 Å²	82	56.5 Å²	56.5	38%	0.38	29%	0.286	S	S	.	.	I	π-helix	trans	-115.7	-43.1	-176.6	-167.6	73.2	0	0	0	113.9	K3296 K3304	K3296-H3300 HydrophobicContact CG-CB 4.24Å; K3296-H3300 VanDerWaalsContact O-CA 3.31Å; K3296-H3300 WeakPolarHBondContact O-CA 3.44Å; K3296-H3300 WeakPolarHBondContact O-CB 3.42Å; K3296-H3300 PolarHBondContact O-N 3.18Å; H3300-K3304 PolarHBondContact NE2-NZ 2.91Å; H3300-K3304 WeakPolarHBondContact O-CG 3.37Å
3301	Y	55	Low	50.5	Low	4 Å²	4	58.6 Å²	58.6	2%	0.016	30%	0.297	C	S	.	.	I	π-helix	trans	-92	-41	-174.3	-62.4	-58.8	0	0	0	112.8	L3128 N3129 V3132 K3296 I3297 K3304 I3305	L3128-Y3301 HydrophobicContact CB-CE2 3.97Å; L3128-Y3301 HydrophobicContact CD1-CE2 3.85Å; L3128-Y3301 HydrophobicContact CG-CE2 4.47Å; N3129-Y3301 PolarHBondContact OD1-OH 3.32Å; V3132-Y3301 HydrophobicContact CB-CD1 4.4Å; V3132-Y3301 HydrophobicContact CG1-CD1 4.43Å; V3132-Y3301 HydrophobicContact CG2-CD1 3.6Å; V3132-Y3301 HydrophobicContact CG2-CE1 4.23Å; V3132-Y3301 HydrophobicContact CG2-CG 4.02Å; K3296-Y3301 PolarHBondContact O-N 3.06Å; I3297-Y3301 HydrophobicContact CG1-CD2 4.06Å; I3297-Y3301 PolarHBondContact O-N 3.41Å; I3297-Y3301 VanDerWaalsContact O-N 3.08Å; Y3301-K3304 WeakPolarHBondContact O-CB 3.38Å; Y3301-K3304 PolarHBondContact O-N 2.9Å; Y3301-K3304 VanDerWaalsContact O-N 3.11Å; Y3301-I3305 PolarHBondContact O-N 3.37Å
3302	V	56.7	Low	51.3	Low	40 Å²	40	56.4 Å²	56.4	24%	0.242	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-46.4	176.6	171.7	0	0	0	0	111.9	I3297 F3298 K3304 I3305 W3306	I3297-V3302 HydrophobicContact CG2-CG2 4.46Å; I3297-V3302 WeakPolarHBondContact O-CG2 3.34Å; I3297-V3302 PolarHBondContact O-N 2.74Å; F3298-V3302 HydrophobicContact CD1-CG2 4.16Å; V3302-K3304 PolarHBondContact O-N 3.03Å; V3302-K3304 VanDerWaalsContact O-N 3.16Å; V3302-I3305 PolarHBondContact O-N 3.19Å; V3302-W3306 VanDerWaalsContact O-CB 3.27Å; V3302-W3306 WeakPolarHBondContact O-CB 3.4Å; V3302-W3306 PolarHBondContact O-N 3.44Å
3303	P	58.2	Low	52	Low	67 Å²	67	54.8 Å²	54.8	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-21.8	176.8	-25.2	36.6	0	0	0	115	P3307	P3303-P3307 VanDerWaalsContact O-CD 3.3Å; P3303-P3307 WeakPolarHBondContact O-CD 3.48Å
3304	K	63.7	Low	52.4	Low	90 Å²	90	57.3 Å²	57.3	39%	0.391	29%	0.285	S	S	.	.	H	α-helix	trans	-79.8	-34.7	176.8	-74.1	177.2	171.7	177.9	0	112.7	H3300 Y3301 V3302	H3300-K3304 PolarHBondContact NE2-NZ 2.91Å; H3300-K3304 WeakPolarHBondContact O-CG 3.37Å; Y3301-K3304 WeakPolarHBondContact O-CB 3.38Å; Y3301-K3304 PolarHBondContact O-N 2.9Å; Y3301-K3304 VanDerWaalsContact O-N 3.11Å; V3302-K3304 PolarHBondContact O-N 3.03Å; V3302-K3304 VanDerWaalsContact O-N 3.16Å
3305	I	54.9	Low	52.9	Low	17 Å²	17	58.4 Å²	58.4	9%	0.087	29%	0.288	C	S	.	.	H	α-helix	trans	-86.7	-29.6	-179.2	-60.5	167.7	0	0	0	110.9	V3132 F3160 Y3301 V3302 P3307 Y3308 Y3309	V3132-I3305 HydrophobicContact CG1-CD1 4.45Å; V3132-I3305 HydrophobicContact CG1-CG1 4.27Å; V3132-I3305 HydrophobicContact CG2-CD1 4.24Å; F3160-I3305 HydrophobicContact CD1-CD1 4.38Å; F3160-I3305 HydrophobicContact CD2-CD1 4.49Å; F3160-I3305 HydrophobicContact CE1-CD1 3.66Å; F3160-I3305 HydrophobicContact CE2-CD1 3.79Å; F3160-I3305 HydrophobicContact CZ-CD1 3.31Å; Y3301-I3305 PolarHBondContact O-N 3.37Å; V3302-I3305 PolarHBondContact O-N 3.19Å; I3305-P3307 VanDerWaalsContact C-CD 3.49Å; I3305-Y3308 PolarHBondContact O-N 3.1Å; I3305-Y3308 VanDerWaalsContact O-N 3.15Å; I3305-Y3309 PolarHBondContact O-N 3.49Å; I3305-Y3309 VanDerWaalsContact O-N 3.14Å
3306	W	61.2	Low	53	Low	47 Å²	47	56.5 Å²	56.5	18%	0.178	28%	0.278	C	S	.	.	H	α-helix	trans	-55.4	-41.3	-173.9	-167.1	-101.5	0	0	0	115.9	L3249 I3253 V3302 Y3308 Y3309 I3310	L3249-W3306 HydrophobicContact CD2-CH2 3.35Å; L3249-W3306 HydrophobicContact CD2-CZ2 3.93Å; L3249-W3306 HydrophobicContact CD2-CZ3 4.15Å; I3253-W3306 HydrophobicContact CD1-CD2 3.99Å; I3253-W3306 HydrophobicContact CD1-CH2 3.84Å; I3253-W3306 HydrophobicContact CD1-CZ2 3.16Å; I3253-W3306 HydrophobicContact CD1-CZ3 4.45Å; V3302-W3306 VanDerWaalsContact O-CB 3.27Å; V3302-W3306 WeakPolarHBondContact O-CB 3.4Å; V3302-W3306 PolarHBondContact O-N 3.44Å; W3306-Y3308 VanDerWaalsContact C-N 3.32Å; W3306-Y3308 PolarHBondContact O-N 2.94Å; W3306-Y3309 HydrophobicContact CE3-CD1 4.01Å; W3306-Y3309 AromaticContact CH2-CD1 3.87Å; W3306-Y3309 HydrophobicContact CH2-CD1 3.87Å; W3306-Y3309 AromaticContact CH2-CE1 3.97Å; W3306-Y3309 HydrophobicContact CH2-CE1 3.97Å; W3306-Y3309 HydrophobicContact CZ2-CD1 4.45Å; W3306-Y3309 AromaticContact CZ3-CD1 3.63Å; W3306-Y3309 HydrophobicContact CZ3-CD1 3.63Å; W3306-Y3309 AromaticContact CZ3-CE1 3.93Å; W3306-Y3309 HydrophobicContact CZ3-CE1 3.93Å; W3306-Y3309 WeakPolarHBondContact O-CB 3.32Å; W3306-Y3309 PolarHBondContact O-N 3.09Å; W3306-I3310 VanDerWaalsContact CD1-CD1 3.49Å; W3306-I3310 PolarHBondContact O-N 3.42Å
3307	P	60.5	Low	52.8	Low	75 Å²	75	56.1 Å²	56.1	49%	0.487	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-40.1	177.3	-23.6	34.9	0	0	0	112.9	P3303 I3305 Y3309 I3310 Q3311	P3303-P3307 VanDerWaalsContact O-CD 3.3Å; P3303-P3307 WeakPolarHBondContact O-CD 3.48Å; I3305-P3307 VanDerWaalsContact C-CD 3.49Å; P3307-Y3309 VanDerWaalsContact C-N 3.34Å; P3307-I3310 PolarHBondContact O-N 3.42Å; P3307-Q3311 WeakPolarHBondContact O-CB 3.33Å; P3307-Q3311 PolarHBondContact O-N 2.7Å
3308	Y	55.4	Low	53	Low	61 Å²	61	62.9 Å²	62.9	24%	0.239	32%	0.315	C	S	.	.	H	α-helix	trans	-68.5	-35.9	177	-62	-87.2	0	0	0	111.3	I3136 S3139 E3140 I3305 W3306 Q3311 I3312	I3136-Y3308 HydrophobicContact CG1-CD2 4.4Å; I3136-Y3308 HydrophobicContact CG1-CE2 4.07Å; I3136-Y3308 HydrophobicContact CG2-CE1 4.25Å; I3136-Y3308 HydrophobicContact CG2-CE2 4.02Å; I3136-Y3308 WeakPolarHBondContact CG2-OH 3.37Å; S3139-Y3308 VanDerWaalsContact OG-CD1 3.26Å; S3139-Y3308 WeakPolarHBondContact OG-CD1 3.44Å; E3140-Y3308 HydrophobicContact CG-CD1 4.47Å; E3140-Y3308 HydrophobicContact CG-CE1 3.72Å; E3140-Y3308 PolarHBondContact OE1-OH 2.84Å; I3305-Y3308 PolarHBondContact O-N 3.1Å; I3305-Y3308 VanDerWaalsContact O-N 3.15Å; W3306-Y3308 VanDerWaalsContact C-N 3.32Å; W3306-Y3308 PolarHBondContact O-N 2.94Å; Y3308-Q3311 PolarHBondContact O-N 3.38Å; Y3308-I3312 WeakPolarHBondContact O-CD1 3.38Å; Y3308-I3312 VanDerWaalsContact O-CG1 3.25Å; Y3308-I3312 WeakPolarHBondContact O-CG1 3.35Å; Y3308-I3312 PolarHBondContact O-N 2.86Å
3309	Y	51.5	Low	52.9	Low	64 Å²	64	61.8 Å²	61.8	25%	0.251	31%	0.311	S	S	.	.	H	α-helix	trans	-66.6	-42.2	173.6	-173.9	-111.7	0	0	0	112.9	L3157 I3305 W3306 P3307 Q3311 I3312 L3313	L3157-Y3309 HydrophobicContact CD1-CD2 3.32Å; L3157-Y3309 HydrophobicContact CD1-CE2 3.69Å; L3157-Y3309 HydrophobicContact CD1-CG 4.18Å; L3157-Y3309 HydrophobicContact CD2-CE2 4.11Å; I3305-Y3309 PolarHBondContact O-N 3.49Å; I3305-Y3309 VanDerWaalsContact O-N 3.14Å; W3306-Y3309 HydrophobicContact CE3-CD1 4.01Å; W3306-Y3309 AromaticContact CH2-CD1 3.87Å; W3306-Y3309 HydrophobicContact CH2-CD1 3.87Å; W3306-Y3309 AromaticContact CH2-CE1 3.97Å; W3306-Y3309 HydrophobicContact CH2-CE1 3.97Å; W3306-Y3309 HydrophobicContact CZ2-CD1 4.45Å; W3306-Y3309 AromaticContact CZ3-CD1 3.63Å; W3306-Y3309 HydrophobicContact CZ3-CD1 3.63Å; W3306-Y3309 AromaticContact CZ3-CE1 3.93Å; W3306-Y3309 HydrophobicContact CZ3-CE1 3.93Å; W3306-Y3309 WeakPolarHBondContact O-CB 3.32Å; W3306-Y3309 PolarHBondContact O-N 3.09Å; P3307-Y3309 VanDerWaalsContact C-N 3.34Å; Y3309-Q3311 VanDerWaalsContact C-N 3.33Å; Y3309-I3312 PolarHBondContact O-N 3.33Å; Y3309-L3313 HydrophobicContact CD1-CD1 3.71Å; Y3309-L3313 HydrophobicContact CD1-CG 4.39Å; Y3309-L3313 HydrophobicContact CE1-CD1 3.28Å; Y3309-L3313 HydrophobicContact CE1-CG 4.07Å; Y3309-L3313 HydrophobicContact CE2-CG 4.49Å; Y3309-L3313 WeakPolarHBondContact O-CB 3.23Å; Y3309-L3313 WeakPolarHBondContact O-CG 3.46Å; Y3309-L3313 PolarHBondContact O-N 3.22Å
3310	I	52.1	Low	52.5	Low	48 Å²	48	64.1 Å²	64.1	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-60.4	-45.2	172	-72.4	177.6	0	0	0	109.9	W3306 P3307 I3312 L3313 E3314	W3306-I3310 VanDerWaalsContact CD1-CD1 3.49Å; W3306-I3310 PolarHBondContact O-N 3.42Å; P3307-I3310 PolarHBondContact O-N 3.42Å; I3310-I3312 VanDerWaalsContact C-N 3.3Å; I3310-I3312 PolarHBondContact O-N 3.23Å; I3310-L3313 CarbonylContact O-C 3.6Å; I3310-L3313 PolarHBondContact O-N 3.05Å; I3310-L3313 VanDerWaalsContact O-N 3.15Å; I3310-E3314 HydrophobicContact CG2-CG 3.97Å; I3310-E3314 WeakPolarHBondContact CG2-OE1 3.46Å; I3310-E3314 WeakPolarHBondContact O-CB 3.28Å; I3310-E3314 WeakPolarHBondContact O-CG 3.03Å; I3310-E3314 PolarHBondContact O-N 2.78Å
3311	Q	56.6	Low	51.9	Low	86 Å²	86	64.4 Å²	64.4	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-59.1	-42.9	179	-171.1	178.1	-5.6	0	0	111.6	P3307 Y3308 Y3309 E3314 E3315	P3307-Q3311 WeakPolarHBondContact O-CB 3.33Å; P3307-Q3311 PolarHBondContact O-N 2.7Å; Y3308-Q3311 PolarHBondContact O-N 3.38Å; Y3309-Q3311 VanDerWaalsContact C-N 3.33Å; Q3311-E3314 PolarHBondContact O-N 2.65Å; Q3311-E3315 WeakPolarHBondContact O-CB 3.39Å; Q3311-E3315 WeakPolarHBondContact O-CG 3.5Å; Q3311-E3315 PolarHBondContact O-N 2.76Å
3312	I	52.1	Low	51.2	Low	31 Å²	31	69.9 Å²	69.9	16%	0.159	35%	0.351	C	S	.	.	H	α-helix	trans	-64.7	-42.8	175	-68.1	158.1	0	0	0	111.4	Y3308 Y3309 I3310 E3315 Q3316	Y3308-I3312 WeakPolarHBondContact O-CD1 3.38Å; Y3308-I3312 VanDerWaalsContact O-CG1 3.25Å; Y3308-I3312 WeakPolarHBondContact O-CG1 3.35Å; Y3308-I3312 PolarHBondContact O-N 2.86Å; Y3309-I3312 PolarHBondContact O-N 3.33Å; I3310-I3312 VanDerWaalsContact C-N 3.3Å; I3310-I3312 PolarHBondContact O-N 3.23Å; I3312-E3315 PolarHBondContact O-N 2.95Å; I3312-Q3316 WeakPolarHBondContact O-CB 3.37Å; I3312-Q3316 VanDerWaalsContact O-CG 3.24Å; I3312-Q3316 WeakPolarHBondContact O-CG 3.24Å; I3312-Q3316 PolarHBondContact O-N 3.39Å
3313	L	48.2	Very low	50.3	Low	46 Å²	46	71 Å²	71	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-68.2	-36.3	177.1	-77.9	175.8	0	0	0	112.9	Y3309 I3310 Q3316 S3317	Y3309-L3313 HydrophobicContact CD1-CD1 3.71Å; Y3309-L3313 HydrophobicContact CD1-CG 4.39Å; Y3309-L3313 HydrophobicContact CE1-CD1 3.28Å; Y3309-L3313 HydrophobicContact CE1-CG 4.07Å; Y3309-L3313 HydrophobicContact CE2-CG 4.49Å; Y3309-L3313 WeakPolarHBondContact O-CB 3.23Å; Y3309-L3313 WeakPolarHBondContact O-CG 3.46Å; Y3309-L3313 PolarHBondContact O-N 3.22Å; I3310-L3313 CarbonylContact O-C 3.6Å; I3310-L3313 PolarHBondContact O-N 3.05Å; I3310-L3313 VanDerWaalsContact O-N 3.15Å; L3313-Q3316 WeakPolarHBondContact O-CB 3.09Å; L3313-Q3316 PolarHBondContact O-N 3.42Å; L3313-S3317 WeakPolarHBondContact O-CB 3.26Å; L3313-S3317 PolarHBondContact O-N 2.78Å
3314	E	50.7	Low	49.1	Very low	104 Å²	104	74 Å²	74	49%	0.486	37%	0.367	S	S	.	.	H	α-helix	trans	-67.5	-42.9	174.7	-77.6	-179.1	-178.9	0	0	110.5	I3310 Q3311 S3317 K3318	I3310-E3314 HydrophobicContact CG2-CG 3.97Å; I3310-E3314 WeakPolarHBondContact CG2-OE1 3.46Å; I3310-E3314 WeakPolarHBondContact O-CB 3.28Å; I3310-E3314 WeakPolarHBondContact O-CG 3.03Å; I3310-E3314 PolarHBondContact O-N 2.78Å; Q3311-E3314 PolarHBondContact O-N 2.65Å; E3314-S3317 PolarHBondContact O-N 3.48Å; E3314-S3317 PolarHBondContact O-OG 3.11Å; E3314-K3318 WeakPolarHBondContact O-CG 3.17Å; E3314-K3318 PolarHBondContact O-N 2.83Å
3315	E	51.9	Low	47.7	Very low	61 Å²	61	77.7 Å²	77.7	29%	0.285	39%	0.385	S	S	.	.	H	α-helix	trans	-63.7	-39.9	171.6	-75.1	-175.3	-175.6	0	0	111.8	Q3311 I3312 S3317 K3318 M3319	Q3311-E3315 WeakPolarHBondContact O-CB 3.39Å; Q3311-E3315 WeakPolarHBondContact O-CG 3.5Å; Q3311-E3315 PolarHBondContact O-N 2.76Å; I3312-E3315 PolarHBondContact O-N 2.95Å; E3315-S3317 PolarHBondContact O-N 3Å; E3315-K3318 WeakPolarHBondContact O-CB 3.29Å; E3315-K3318 PolarHBondContact O-N 3.31Å; E3315-M3319 WeakPolarHBondContact O-CG 3.46Å; E3315-M3319 PolarHBondContact O-N 2.91Å
3316	Q	44.1	Very low	46.6	Very low	29 Å²	29	83.3 Å²	83.3	14%	0.136	42%	0.415	C	S	.	.	H	α-helix	trans	-62.1	-40.7	172	-80.3	-177.9	16	0	0	113.1	L3150 I3312 L3313 K3318 M3319 K3320	L3150-Q3316 HydrophobicContact CD1-CG 3.84Å; L3150-Q3316 HydrophobicContact CD2-CG 3.59Å; L3150-Q3316 HydrophobicContact CG-CG 3.72Å; I3312-Q3316 WeakPolarHBondContact O-CB 3.37Å; I3312-Q3316 VanDerWaalsContact O-CG 3.24Å; I3312-Q3316 WeakPolarHBondContact O-CG 3.24Å; I3312-Q3316 PolarHBondContact O-N 3.39Å; L3313-Q3316 WeakPolarHBondContact O-CB 3.09Å; L3313-Q3316 PolarHBondContact O-N 3.42Å; Q3316-K3318 VanDerWaalsContact C-N 3.27Å; Q3316-K3318 PolarHBondContact O-N 3.46Å; Q3316-M3319 CarbonylContact O-C 3.51Å; Q3316-M3319 PolarHBondContact O-N 2.98Å; Q3316-M3319 VanDerWaalsContact O-N 3.09Å; Q3316-K3320 PolarHBondContact O-N 3.25Å
3317	S	44.8	Very low	45.1	Very low	73 Å²	73	84.6 Å²	84.6	51%	0.51	43%	0.428	S	S	.	.	H	α-helix	trans	-65.1	-34.8	177.1	76.3	0	0	0	0	111.5	L3313 E3314 E3315 M3319	L3313-S3317 WeakPolarHBondContact O-CB 3.26Å; L3313-S3317 PolarHBondContact O-N 2.78Å; E3314-S3317 PolarHBondContact O-N 3.48Å; E3314-S3317 PolarHBondContact O-OG 3.11Å; E3315-S3317 PolarHBondContact O-N 3Å; S3317-M3319 VanDerWaalsContact C-N 3.33Å
3318	K	50.5	Low	43.7	Very low	147 Å²	147	87.2 Å²	87.2	64%	0.639	44%	0.443	S	S	*	.	H	α-helix	trans	-69.7	-29.9	171.9	-69.3	169.7	-176.4	170.8	0	112.1	E3314 E3315 Q3316 S3321	E3314-K3318 WeakPolarHBondContact O-CG 3.17Å; E3314-K3318 PolarHBondContact O-N 2.83Å; E3315-K3318 WeakPolarHBondContact O-CB 3.29Å; E3315-K3318 PolarHBondContact O-N 3.31Å; Q3316-K3318 VanDerWaalsContact C-N 3.27Å; Q3316-K3318 PolarHBondContact O-N 3.46Å; K3318-S3321 PolarHBondContact O-OG 2.62Å
3319	M	43.6	Very low	42.5	Very low	39 Å²	39	93 Å²	93	19%	0.192	47%	0.472	C	S	.	.	H	α-helix	trans	-90	-14.5	177.1	-67	-151.4	175.9	0	0	115	S3146 L3150 E3315 Q3316 S3317 S3321 Q3322 I3323	S3146-M3319 WeakPolarHBondContact OG-CE 3.29Å; L3150-M3319 HydrophobicContact CD1-SD 4.31Å; E3315-M3319 WeakPolarHBondContact O-CG 3.46Å; E3315-M3319 PolarHBondContact O-N 2.91Å; Q3316-M3319 CarbonylContact O-C 3.51Å; Q3316-M3319 PolarHBondContact O-N 2.98Å; Q3316-M3319 VanDerWaalsContact O-N 3.09Å; S3317-M3319 VanDerWaalsContact C-N 3.33Å; M3319-S3321 PolarHBondContact O-N 2.91Å; M3319-S3321 VanDerWaalsContact O-N 3.16Å; M3319-Q3322 CarbonylContact O-C 3.58Å; M3319-Q3322 WeakPolarHBondContact O-CA 3.4Å; M3319-Q3322 WeakPolarHBondContact O-CB 3.39Å; M3319-Q3322 PolarHBondContact O-N 3.26Å; M3319-I3323 HydrophobicContact CB-CD1 3.86Å; M3319-I3323 HydrophobicContact CB-CG1 4.33Å; M3319-I3323 WeakPolarHBondContact O-CG1 3.42Å; M3319-I3323 PolarHBondContact O-N 3.04Å
3320	K	37.6	Very low	41.4	Very low	136 Å²	136	94.1 Å²	94.1	59%	0.591	49%	0.489	S	S	*	.	H	α-helix	trans	-58.6	-28.3	177.7	-105.1	-176.7	175.8	-177.6	0	112.6	Q3316 Q3322	Q3316-K3320 PolarHBondContact O-N 3.25Å; K3320-Q3322 VanDerWaalsContact C-N 3.3Å
3321	S	40.1	Very low	40.1	Very low	87 Å²	87	99.1 Å²	99.1	61%	0.608	52%	0.516	S	S	*	.	H	α-helix	trans	-71.3	-22.7	171.7	61.9	0	0	0	0	113.5	K3318 M3319	K3318-S3321 PolarHBondContact O-OG 2.62Å; M3319-S3321 PolarHBondContact O-N 2.91Å; M3319-S3321 VanDerWaalsContact O-N 3.16Å
3322	Q	41.1	Very low	38.7	Very low	120 Å²	120	102.2 Å²	102.2	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-98	-29	179.8	-64	-179.3	-20.5	0	0	112.6	M3319 K3320 H3325	M3319-Q3322 CarbonylContact O-C 3.58Å; M3319-Q3322 WeakPolarHBondContact O-CA 3.4Å; M3319-Q3322 WeakPolarHBondContact O-CB 3.39Å; M3319-Q3322 PolarHBondContact O-N 3.26Å; K3320-Q3322 VanDerWaalsContact C-N 3.3Å; Q3322-H3325 PolarHBondContact O-N 2.83Å
3323	I	37.5	Very low	37.4	Very low	63 Å²	63	110.7 Å²	110.7	32%	0.323	57%	0.572	S	S	.	*	H	α-helix	trans	-77.1	-31	-178.5	-67.3	166	0	0	0	112.3	M3319 H3325 L3326 T3327	M3319-I3323 HydrophobicContact CB-CD1 3.86Å; M3319-I3323 HydrophobicContact CB-CG1 4.33Å; M3319-I3323 WeakPolarHBondContact O-CG1 3.42Å; M3319-I3323 PolarHBondContact O-N 3.04Å; I3323-H3325 PolarHBondContact O-N 3.04Å; I3323-H3325 VanDerWaalsContact O-N 3.14Å; I3323-L3326 PolarHBondContact O-N 3.27Å; I3323-T3327 HydrophobicContact CG2-CG2 4.34Å
3324	N	32.9	Very low	36.5	Very low	129 Å²	129	119 Å²	119	69%	0.69	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-14.9	172.8	-82.3	-6.6	0	0	0	113.5
3325	H	34	Very low	35.8	Very low	168 Å²	168	119.8 Å²	119.8	78%	0.778	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-6.4	173.7	-105.6	-62.1	0	0	0	113.8	Q3322 I3323	Q3322-H3325 PolarHBondContact O-N 2.83Å; I3323-H3325 PolarHBondContact O-N 3.04Å; I3323-H3325 VanDerWaalsContact O-N 3.14Å
3326	L	31.6	Very low	34.9	Very low	135 Å²	135	122.8 Å²	122.8	71%	0.707	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	-10.6	-168.5	-83.4	157.8	0	0	0	115.4	I3323	I3323-L3326 PolarHBondContact O-N 3.27Å
3327	T	31.2	Very low	34.4	Very low	74 Å²	74	128.1 Å²	128.1	45%	0.454	68%	0.678	S	S	.	*			trans	-107.9	3.7	-172.1	50.5	0	0	0	0	116.2	I3323 E3329 S3330	I3323-T3327 HydrophobicContact CG2-CG2 4.34Å; T3327-E3329 PolarHBondContact O-N 2.92Å; T3327-S3330 PolarHBondContact O-N 3.04Å; T3327-S3330 PolarHBondContact O-OG 3.25Å
3328	T	31.2	Very low	33.8	Very low	131 Å²	131	131.3 Å²	131.3	80%	0.804	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	16.6	178	41	0	0	0	0	116.1
3329	E	28.5	Very low	32.8	Very low	182 Å²	182	130.3 Å²	130.3	85%	0.85	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-12	173.1	-59.5	-172.2	128.4	0	0	114.2	T3327 N3331	T3327-E3329 PolarHBondContact O-N 2.92Å; E3329-N3331 VanDerWaalsContact C-N 3.32Å; E3329-N3331 PolarHBondContact O-N 2.97Å
3330	S	28.9	Very low	32.1	Very low	88 Å²	88	136.4 Å²	136.4	62%	0.615	72%	0.724	S	S	*	*			trans	-81.8	16.6	-146.9	50.4	0	0	0	0	118.1	T3327 N3332	T3327-S3330 PolarHBondContact O-N 3.04Å; T3327-S3330 PolarHBondContact O-OG 3.25Å; S3330-N3332 VanDerWaalsContact C-N 3.32Å; S3330-N3332 PolarHBondContact O-N 3.15Å
3331	N	25.4	Very low	31.7	Very low	152 Å²	152	136.4 Å²	136.4	81%	0.813	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	37.8	-163.3	-80.7	-6.7	0	0	0	117.6	E3329	E3329-N3331 VanDerWaalsContact C-N 3.32Å; E3329-N3331 PolarHBondContact O-N 2.97Å
3332	N	27.7	Very low	31	Very low	152 Å²	152	140.2 Å²	140.2	81%	0.813	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.1	29.5	178	-96.6	-19.3	0	0	0	116.7	S3330	S3330-N3332 VanDerWaalsContact C-N 3.32Å; S3330-N3332 PolarHBondContact O-N 3.15Å
3333	F	23.8	Very low	30.2	Very low	209 Å²	209	141.9 Å²	141.9	92%	0.917	76%	0.758	S	S	*	*			trans	-144.2	101.7	166.8	-88.8	-87.4	0	0	0	110.2
3334	V	29.7	Very low	29.5	Very low	220 Å²	220	149.1 Å²	149.1	100%	1.333	80%	0.798	S	S	*	*			trans	-109.3	0	164.7	176.2	0	0	0	0	108.2

Retrieved 3,334 of 3,334 residues in 2429.3 ms (Link to these results)

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