A0A5K4F8B6_SCHMA Loading...

SRCR domain-containing protein AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A5K4F8B6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,239 aa.

						>A0A5K4F8B6_SCHMA|A0A5K4F8B6
MKLHGKCTYQYALLLVLSQITGVIFSLTYINSSITGTQYWTLTESPFIIIHDDLIINPKAKLVIDPGVRILIGAGLSIKVKGVIHAKGTSDRRIVFTKWSASDKHNSPLGNYVNETMILPRINTFTDQPYHKIRLVNGKCINQGELQIWLASKWRSVCSQNNEWSKIDSRIACQQLGYFNGNFSLGSQSFNRYPSVQIIKPNCFGNETNELGLFSCPGLMKNISYGRNICDLQDLVNLNCWGVNPNQFIGYWKGIEIINATHKEVNIPEKWGGTYGNTRLNVSASIFEYVDIQFAGVNRSNYHSAALSSTPYPPVLCNVHLAYNAHHAINFKRIRGPAILENVTTENNYGHGVKITSIMGYIRLNSVTSLRNNGDGLNIKLLSGPHYHWPEETLEFIHKAYWVCRPGSIPASPVFPFLMIAELPGPTFKTSGMCEFHVASDQTDQIITINLLETIHDPIAYGRIEIWDKFTMNRIANWLLVNQTILNNHNNHTNYPSLVFHRNSGPLKGLVYQGVSSDRNAILIKFFWNKLTDRFVCSEFANCIRALLHISVGQTKLPEVILKNSIISGNSQHGLSLYNPWAYIHLENNTFEQNQYEAGVKILGGSADILINNNQFIRNQNAGLNISVNGGFKQINNSLFHNNYGHGLVIWNLNQSDLSSLRQPNLPLKTHVHLSNFTENYHDAIRFYNSCLRTEILINFTYFFKNHRNAIRVYSCLCNDPNMITNFTLGYSYFNKNQLNAIIISPMINIIGKIINSTFIQHLHGVIYMDTSTTNHLFQSQQLREYPIDYVISYNEFNNNYGSYIIYLSLIETSKLQRIQLIYNKFLNNRVQIKSSSLLKPRSTCPAVIVIGSSNVHIFRNHLWNPYSDIELASHLSSPDKQINATLNYWGNLQDWSTNDWSIVHKIVSNKIFDQNHRYTLAKINYHPLLKDLNLRSNFITSNEPPYISNFIQTTTSINEPVYLGGRIPIEQSREVILKPMQNPKSFYRVTKDIFIPPTGRLIIQPAVKLFFDSGVGLFSQGELKLEGTLMSPIIFDHYSQVRLNSDELQGHFINHANLNKSIPNNTVRLSGGEWSTNNNSYYGRLEVWISRINQISSSEYGYWAIVCEDGFNEHALMLACLNIGLVANSKSWLPPVSIRKATIEKANRLMNRSRSSSDHITYIDCQGFETDLSECEYNYEPIAYPLQTCMNSMDLVIQCHRPGWSGIRITASDSGSRTIISHVQIHHAGLLDYTRLEYMPSLQLDYFSGTINNLKITNSLSDGLVILYSNPLLGIKIINSQFTDNFESGLLTYTPWFSLINCQITKSQINAGLQYNRIMTVEQRFAFHAGIVPTLTLFHNIEENSNRMTTTHVSLPEGWSLVETYEKLSPNGIIFVNVPVGKSMEKTIYRTELSINDEYHLHQIIIDLLEFPGSVKLPTSQQQAVNYPKACIGPSITLNNSILPAIHYNKNNCNRLNNLHCMNTTTITKEELIIYDSGFVNFNPIQVYNWRIPKDLIRFPLISSTNKLIMELRVDGLKSGQFLFSIQVRNLHSQHTIATYGKRSHYDHLNVHYSLKPKFYVENTRLENNLIGVKLYHYNDPMDRQNNHFWRNEHETFIFENVQIRNNLYTGMNIISVTQFTNGWFHPNYKEFKQSIEHLSFINYNITNCEFIHNNYGSLLIEHNPIEYANNIWSYHIFNNKFIENGLINNEINMVHPFPFSSSSFPMYKSFHHGLQFYLPFISNEFNWRYESGVISHQISLLRNQFNFNKNFHLQIFGYTAKLNIENNQFLENYCQNILFDEKQITENGLIQSYGMEREIFLSENHFLRNKNCSYIIQLKGDGQSRDSVTLQSFMQKNILQDNDICMNSEKRFQFMNPWECYTMGVFGTQNITIRHNSFENCKSISVNNHPCYELIAGIQSIQIPNFLDAQQNYWASSNITEIRQHIFDFNQWNSLSLINFNNYLTSFHPITSNLSPKLSTPPKMNPLKVEEVLNGRIESDLFVPSRLKPYKIMSDITVMPGVELQIEAGVKFEFAPHIGLLVLGRIEARGTHDNPIIFTSINNSQLENNQFSSMIKSNLMFTKLRKPNIVNTNNNHRPTTETYSSIGRITLSTENVRLIGGEQSNEGFVQFFNYSTRNWYIACDKQFSTRVAQVVCSEFNVSTLTAIVRFSNLYDHYVYGFQNLLNIKHIWMESYTCNGFESKLAYCRRRLNYDAVQCLKRKDFAFLRCVPQTNKALSMDKKTIDLSTSTWGNIRIVQPNSEHYPTMLPNNHMTYTKKQSVLEYINIENAGLLHGERVPALTIVYAYPKLSFIKINNCFDSGLELITPNGPVKLTNCTISKCLGRGLGLTIFNSDSTDPVTIGTENSKSFYNNPSTFPPEQHSLFPLPQPLSGHILFNGKLSNEFARSPLNEYPFKNEEILFGFIPMCSSEKVISVLDRVLVQFKYSSWLNGIHSCTKVFRSTIPGRRLAWRFLAVNLYYDPLIENFIQLYNGVNQTANQVITVITQGTLSMNGNDLTYKHYTFITSPIHDEFSVYVHTSSVSDDKYGFIAEIISLPLSAGRKQQEMNRFLKHEIDTCEFHHNQEGGLRITSVGEFGPDIYLSNLRLEENGLVMLNLTGPSAIELYLTNSRSLLLQNSYIAKHSGDIIHMVLLANQLTNGIQANLTNNVIVRNKLGSVLQAHGNHFNAIQVLRNYIAHNDCGYRTMIHINGLLSQPFANNFIYDNRADILLKCEGDENLNQYSIYQKNGFYNNQALNLTKRTTIFCKNSKNIFRYNYFRNILNDYELVTGNQSIISVLPIQSGFQCPTSPYTSCPQGWKLRLEYDACICYRLDQIDAQYNWWGDTSSSTSSNNQLMSMNSVKSTNITIDNENHNQITSQNFAQNRIYDYQDDFYLIKVNYANSYLSNSSTLGQGIYCPPNWDFYEFNCFYYFGAPMTYQEANDFCLSEVDGILATSQDRIDWLGKKLREWQHNYDWINRYTWVTRAWVDSDAQFPTHCTVIRNGWLEPYPCNKKIGFFCQKTPYVSYSGARRVVIALLGLVGSLLALSVALLLVGWFVKSRRRHSQKLLTTYNRSSWLEQCYSRVGNDAWSSQEQNVINVANAPPNKQYYSAVLEDSPIISKSKNHTLNKYNSYEGNLNENLTSRYYSRNAGRRCKQRASKHHDVMSHKAEKLLVADGFDFTHNADSESVKMSILRNSFSNSLTDWDSSSETSGYQQMECTKYVVENHQQRNNNNNDNNSRCQYYGNSQMEFLSSDV
					

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	35.7	Very low	35.9	Very low	251 Å²	251	172.4 Å²	172.4	100%	1.236	85%	0.851	S	S	*	*				0	149.9	0	-106.3	172.7	166.7	0	0	109.1
2	K	33.1	Very low	36.6	Very low	208 Å²	208	165.3 Å²	165.3	90%	0.904	84%	0.84	S	S	*	*			trans	-54.1	153.8	-165.9	-78.3	173.8	172.1	175.6	0	116.4
3	L	31.3	Very low	36.9	Very low	161 Å²	161	163 Å²	163	84%	0.843	83%	0.83	S	S	*	*			trans	-54.2	142	172.4	-72.8	92.5	0	0	0	115.5
4	H	38.8	Very low	37.4	Very low	203 Å²	203	159.6 Å²	159.6	94%	0.94	81%	0.814	S	S	*	*			trans	-144.2	136.1	142.1	-81.5	-7.4	0	0	0	105.4
5	G	33.3	Very low	37.7	Very low	68 Å²	68	157.3 Å²	157.3	70%	0.701	80%	0.803	S	S	*	*			cis	163.8	123.6	5	0	0	0	0	0	106.4
6	K	31.6	Very low	38	Very low	194 Å²	194	154.7 Å²	154.7	84%	0.843	80%	0.797	S	S	*	*			trans	49.1	89.6	152.1	-60.9	-178.6	178	-178.8	0	118.8
7	C	36.7	Very low	38	Very low	127 Å²	127	152.1 Å²	152.1	86%	0.858	78%	0.784	S	S	*	*			trans	-118.3	69.6	141.6	-89.4	0	0	0	0	108.7
8	T	34.3	Very low	37.9	Very low	104 Å²	104	147.7 Å²	147.7	64%	0.638	77%	0.769	S	S	*	*			trans	-116.1	77.1	176.8	48.1	0	0	0	0	109.2
9	Y	36.8	Very low	37.9	Very low	232 Å²	232	149.1 Å²	149.1	91%	0.91	77%	0.771	S	S	*	*	S	Bend	trans	-155	21.6	161.5	-103.2	-68.9	0	0	0	115.2
10	Q	38.5	Very low	38.2	Very low	159 Å²	159	148.9 Å²	148.9	74%	0.743	77%	0.77	S	S	*	*	S	Bend	trans	-124	1.4	170.9	-81.5	-171.4	-19	0	0	115.6
11	Y	44.6	Very low	38.2	Very low	189 Å²	189	147 Å²	147	74%	0.741	77%	0.765	S	S	*	*	H	α-helix	trans	-80.5	-12.3	178.7	-82	-78.9	0	0	0	115
12	A	44.3	Very low	38.2	Very low	87 Å²	87	138.1 Å²	138.1	72%	0.719	74%	0.738	S	S	*	*	H	α-helix	trans	-82.3	-27.8	178.6	0	0	0	0	0	113.6
13	L	41.4	Very low	38.5	Very low	136 Å²	136	133.4 Å²	133.4	71%	0.712	73%	0.726	S	S	*	*	H	α-helix	trans	-87.3	-25.2	-178.9	-149.5	83.1	0	0	0	112.8
14	L	43.6	Very low	38.9	Very low	116 Å²	116	133 Å²	133	61%	0.607	72%	0.723	S	S	*	*	H	α-helix	trans	-79.4	-22.9	-179.8	-101.6	143.3	0	0	0	113.7	S18	L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.24Å; L14-S18 PolarHBondContact O-N 2.98Å; L14-S18 PolarHBondContact O-OG 2.58Å
15	L	42.3	Very low	39.1	Very low	125 Å²	125	130.3 Å²	130.3	65%	0.654	71%	0.709	S	S	*	*	H	α-helix	trans	-75.3	-23.1	176.4	-86.6	161.6	0	0	0	113.7	S18	L15-S18 PolarHBondContact O-OG 3.27Å
16	V	41.5	Very low	40.1	Very low	115 Å²	115	130.4 Å²	130.4	70%	0.697	70%	0.699	S	S	*	*	H	α-helix	trans	-87.8	-28.4	176.2	-175.8	0	0	0	0	111.2
17	L	38.2	Very low	42.1	Very low	110 Å²	110	125.2 Å²	125.2	58%	0.576	68%	0.68	S	S	*	*	H	α-helix	trans	-85.8	-18.7	175.2	-83.4	152.7	0	0	0	113.7	Q19 I20	L17-Q19 PolarHBondContact O-N 3.11Å; L17-I20 PolarHBondContact O-N 3.09Å
18	S	37.1	Very low	44.3	Very low	73 Å²	73	120.6 Å²	120.6	51%	0.51	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	-0.6	177	75.4	0	0	0	0	114.7	L14 L15	L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.24Å; L14-S18 PolarHBondContact O-N 2.98Å; L14-S18 PolarHBondContact O-OG 2.58Å; L15-S18 PolarHBondContact O-OG 3.27Å
19	Q	38.1	Very low	46.7	Very low	175 Å²	175	121.3 Å²	121.3	82%	0.818	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-0.2	174.5	-69.6	-151.4	-13.8	0	0	114.7	L17	L17-Q19 PolarHBondContact O-N 3.11Å
20	I	42.1	Very low	49	Very low	144 Å²	144	111.3 Å²	111.3	74%	0.738	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	-13.3	-176.8	-58.5	179.6	0	0	0	114.3	L17 G22	L17-I20 PolarHBondContact O-N 3.09Å; I20-G22 VanDerWaalsContact C-N 3.32Å; I20-G22 PolarHBondContact O-N 2.92Å; I20-G22 VanDerWaalsContact O-N 3.08Å
21	T	39.2	Very low	50.8	Low	111 Å²	111	110.2 Å²	110.2	68%	0.681	60%	0.601	S	S	*	*			trans	-89.5	73.9	170.7	59.5	0	0	0	0	110.7	V23	T21-V23 VanDerWaalsContact C-N 3.35Å; T21-V23 PolarHBondContact O-N 2.83Å
22	G	35.5	Very low	52.5	Low	64 Å²	64	103.8 Å²	103.8	66%	0.66	58%	0.584	S	S	*	*			trans	-57.2	105.7	152.1	0	0	0	0	0	107	I20 I24	I20-G22 VanDerWaalsContact C-N 3.32Å; I20-G22 PolarHBondContact O-N 2.92Å; I20-G22 VanDerWaalsContact O-N 3.08Å; G22-I24 PolarHBondContact O-N 3.16Å
23	V	39	Very low	54.6	Low	108 Å²	108	102.4 Å²	102.4	66%	0.655	57%	0.569	S	S	*	*			trans	-65.3	96.9	168.3	178.7	0	0	0	0	105.4	T21 F25	T21-V23 VanDerWaalsContact C-N 3.35Å; T21-V23 PolarHBondContact O-N 2.83Å; V23-F25 PolarHBondContact O-N 2.64Å
24	I	40.3	Very low	56.9	Low	153 Å²	153	96 Å²	96	79%	0.785	54%	0.535	S	S	*	.			trans	-63.3	103.5	168.8	-61.2	170.8	0	0	0	105	G22 S26	G22-I24 PolarHBondContact O-N 3.16Å; I24-S26 PolarHBondContact O-N 2.94Å
25	F	42.2	Very low	59	Low	146 Å²	146	95.6 Å²	95.6	64%	0.64	54%	0.538	S	S	*	.			trans	-62.1	108.7	167.8	-73.2	-81	0	0	0	107.4	V23 S45	V23-F25 PolarHBondContact O-N 2.64Å; F25-S45 WeakPolarHBondContact CD1-O 3.11Å
26	S	55.7	Low	61.3	Low	70 Å²	70	91.8 Å²	91.8	49%	0.49	53%	0.528	S	S	.	.			trans	-78.7	124.9	174.7	-171.6	0	0	0	0	108.5	I24 T28	I24-S26 PolarHBondContact O-N 2.94Å; S26-T28 PolarHBondContact O-N 2.76Å
27	L	72.7	Confident	63.8	Low	85 Å²	85	90 Å²	90	45%	0.445	52%	0.518	S	S	.	.			trans	-73.9	110.7	174.8	-68.8	161.9	0	0	0	108.5	Y29 P46 I48	L27-Y29 HydrophobicContact CB-CE2 4.24Å; L27-P46 HydrophobicContact CD2-CG 3.98Å; L27-I48 HydrophobicContact CB-CD1 3.65Å; L27-I48 HydrophobicContact CD2-CD1 3.61Å; L27-I48 HydrophobicContact CG-CD1 4.17Å
28	T	83.8	Confident	66.3	Low	31 Å²	31	88 Å²	88	19%	0.19	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	105.6	-177.2	-54.8	0	0	0	0	111	S26 I30 E44 P46 F47 I48	S26-T28 PolarHBondContact O-N 2.76Å; T28-I30 HydrophobicContact CG2-CD1 4.44Å; T28-E44 VanDerWaalsContact CB-O 3.26Å; T28-E44 WeakPolarHBondContact CB-O 3.32Å; T28-E44 WeakPolarHBondContact OG1-CB 3.23Å; T28-E44 PolarHBondContact OG1-O 2.92Å; T28-P46 PolarHBondContact N-O 2.84Å; T28-P46 VanDerWaalsContact N-O 3.13Å; T28-F47 HydrophobicContact CG2-CD1 3.68Å; T28-F47 HydrophobicContact CG2-CE1 3.67Å; T28-F47 CarbonylContact O-C 3.53Å; T28-F47 WeakPolarHBondContact O-CA 3.35Å; T28-I48 PolarHBondContact O-N 2.69Å
29	Y	84.4	Confident	69	Low	119 Å²	119	91 Å²	91	47%	0.467	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129	175.7	-66.6	-86.4	0	0	0	111.1	L27 I48 I50	L27-Y29 HydrophobicContact CB-CE2 4.24Å; Y29-I48 HydrophobicContact CD1-CB 3.91Å; Y29-I48 HydrophobicContact CD1-CD1 4.26Å; Y29-I48 HydrophobicContact CD1-CG2 3.81Å; Y29-I48 HydrophobicContact CE1-CB 4.14Å; Y29-I48 HydrophobicContact CE1-CD1 3.9Å; Y29-I48 HydrophobicContact CE1-CG2 3.75Å; Y29-I48 HydrophobicContact CE2-CD1 4.29Å; Y29-I50 HydrophobicContact CD1-CD1 3.82Å; Y29-I50 HydrophobicContact CD1-CG1 4.04Å; Y29-I50 HydrophobicContact CE1-CD1 3.61Å; Y29-I50 HydrophobicContact CE1-CG1 4.21Å
30	I	84.5	Confident	71.6	Confident	22 Å²	22	82.8 Å²	82.8	11%	0.113	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-102.3	136.5	-177.2	-69	-63.2	0	0	0	110.9	T28 W40 F47 I48 I49 L54	T28-I30 HydrophobicContact CG2-CD1 4.44Å; I30-W40 HydrophobicContact CB-CZ2 4.37Å; I30-W40 HydrophobicContact CD1-CZ2 3.75Å; I30-W40 HydrophobicContact CG1-CH2 4.23Å; I30-W40 HydrophobicContact CG1-CZ2 3.7Å; I30-W40 HydrophobicContact CG2-CH2 4.37Å; I30-W40 HydrophobicContact CG2-CZ2 3.82Å; I30-F47 HydrophobicContact CD1-CD1 3.63Å; I30-F47 HydrophobicContact CD1-CE1 4.17Å; I30-F47 HydrophobicContact CG1-CB 4.13Å; I30-F47 HydrophobicContact CG1-CD1 3.77Å; I30-F47 HydrophobicContact CG1-CG 4.4Å; I30-I48 PolarHBondContact N-O 2.84Å; I30-I49 HydrophobicContact CB-CG1 4.19Å; I30-I49 HydrophobicContact CG2-CG1 4.29Å; I30-L54 HydrophobicContact CG2-CD1 3.7Å; I30-L54 HydrophobicContact CG2-CD2 4.42Å
31	N	76.2	Confident	74	Confident	136 Å²	136	77.6 Å²	77.6	73%	0.727	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-73.8	166.9	174	-71	-15	0	0	0	112.6	S33 L54	N31-S33 VanDerWaalsContact C-N 3.32Å; N31-S33 PolarHBondContact O-N 3.46Å; N31-L54 WeakPolarHBondContact O-CD1 3.32Å
32	S	80.8	Confident	76.3	Confident	54 Å²	54	75.4 Å²	75.4	38%	0.378	43%	0.427	S	S	.	.	S	Bend	trans	-67.2	-17.5	-172.9	62.2	0	0	0	0	116.3	L54 I55	S32-L54 WeakPolarHBondContact O-CA 3.26Å; S32-I55 PolarHBondContact O-N 3.01Å
33	S	88.7	Confident	78.8	Confident	57 Å²	57	77.8 Å²	77.8	40%	0.399	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144.8	-176.3	74.2	0	0	0	0	114	N31 I55	N31-S33 VanDerWaalsContact C-N 3.32Å; N31-S33 PolarHBondContact O-N 3.46Å; S33-I55 WeakPolarHBondContact CA-O 3.24Å
34	I	89.2	Confident	81.1	Confident	3 Å²	3	76.6 Å²	76.6	2%	0.015	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.7	176.1	-57.5	-175.5	0	0	0	108.2	Q38 W40 L54 I55 I56 N57 A60 L62	I34-Q38 VanDerWaalsContact CG1-OE1 3.31Å; I34-Q38 HydrophobicContact CG2-CB 3.93Å; I34-W40 HydrophobicContact CD1-CZ2 4.15Å; I34-L54 HydrophobicContact CD1-CD1 3.94Å; I34-L54 HydrophobicContact CD1-CD2 4.16Å; I34-L54 HydrophobicContact CD1-CG 4.34Å; I34-L54 HydrophobicContact CG1-CD1 3.75Å; I34-I55 PolarHBondContact N-O 2.76Å; I34-I56 HydrophobicContact CD1-CG1 4.24Å; I34-N57 PolarHBondContact O-N 3.01Å; I34-N57 PolarHBondContact O-ND2 3.21Å; I34-A60 WeakPolarHBondContact O-CB 3.26Å; I34-L62 HydrophobicContact CD1-CB 4.17Å; I34-L62 HydrophobicContact CD1-CD1 3.93Å; I34-L62 HydrophobicContact CD1-CD2 3.86Å; I34-L62 HydrophobicContact CD1-CG 4.19Å
35	T	88.4	Confident	83.4	Confident	107 Å²	107	69.6 Å²	69.6	66%	0.656	38%	0.381	S	S	*	.			trans	-116.7	140.1	171	52.7	0	0	0	0	108.5	N57	T35-N57 WeakPolarHBondContact CG2-ND2 3.4Å
36	G	90.4	Very high	85.7	Confident	44 Å²	44	63.7 Å²	63.7	45%	0.454	36%	0.357	S	S	.	.	S	Bend	trans	72.5	-157.3	-175.8	0	0	0	0	0	114	A60 K61	G36-A60 CarbonylContact O-C 3.54Å; G36-A60 VanDerWaalsContact O-CA 3.25Å; G36-A60 WeakPolarHBondContact O-CA 3.36Å; G36-A60 WeakPolarHBondContact O-CB 3.34Å; G36-K61 PolarHBondContact O-N 2.78Å
37	T	92.8	Very high	87.4	Confident	78 Å²	78	60.4 Å²	60.4	48%	0.479	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.5	177.7	-57.6	0	0	0	0	110.3	Y39 K61 V63	T37-Y39 HydrophobicContact CG2-CD2 4.44Å; T37-Y39 HydrophobicContact CG2-CE2 3.72Å; T37-K61 CarbonylContact C-O 3.57Å; T37-K61 WeakPolarHBondContact CA-O 3.45Å; T37-K61 HydrophobicContact CG2-CB 4.21Å; T37-K61 HydrophobicContact CG2-CD 4.2Å; T37-K61 HydrophobicContact CG2-CG 4.38Å; T37-V63 HydrophobicContact CG2-CG2 4.43Å
38	Q	91.8	Very high	88.3	Confident	68 Å²	68	56.4 Å²	56.4	32%	0.318	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.5	176.9	-171.5	173.4	9.5	0	0	110.1	I34 K61 L62 V63	I34-Q38 VanDerWaalsContact CG1-OE1 3.31Å; I34-Q38 HydrophobicContact CG2-CB 3.93Å; Q38-K61 PolarHBondContact N-O 2.85Å; Q38-L62 HydrophobicContact CB-CD1 4.31Å; Q38-V63 PolarHBondContact O-N 2.89Å
39	Y	92.7	Very high	88.7	Confident	137 Å²	137	55 Å²	55	54%	0.537	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129	176.9	-63.8	-90.9	0	0	0	109.2	T37 V63	T37-Y39 HydrophobicContact CG2-CD2 4.44Å; T37-Y39 HydrophobicContact CG2-CE2 3.72Å; Y39-V63 CarbonylContact C-O 3.49Å; Y39-V63 WeakPolarHBondContact CA-O 3.19Å; Y39-V63 HydrophobicContact CD1-CB 3.6Å; Y39-V63 HydrophobicContact CD1-CG1 3.84Å; Y39-V63 HydrophobicContact CD1-CG2 4.16Å; Y39-V63 HydrophobicContact CE1-CB 3.79Å; Y39-V63 HydrophobicContact CE1-CG1 3.96Å; Y39-V63 HydrophobicContact CE1-CG2 3.84Å; Y39-V63 HydrophobicContact CG-CB 4.44Å
40	W	93.5	Very high	88.8	Confident	1 Å²	1	51.9 Å²	51.9	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.6	173.1	-75.3	1.9	0	0	0	108.5	I30 I34 F47 I49 L54 L62 V63 I64 D65 I70	I30-W40 HydrophobicContact CB-CZ2 4.37Å; I30-W40 HydrophobicContact CD1-CZ2 3.75Å; I30-W40 HydrophobicContact CG1-CH2 4.23Å; I30-W40 HydrophobicContact CG1-CZ2 3.7Å; I30-W40 HydrophobicContact CG2-CH2 4.37Å; I30-W40 HydrophobicContact CG2-CZ2 3.82Å; I34-W40 HydrophobicContact CD1-CZ2 4.15Å; W40-F47 HydrophobicContact CB-CD2 4.17Å; W40-F47 HydrophobicContact CB-CE1 4.08Å; W40-F47 HydrophobicContact CB-CE2 3.55Å; W40-F47 HydrophobicContact CB-CZ 3.48Å; W40-F47 VanDerWaalsContact CB-CZ 3.48Å; W40-F47 AromaticContact CD1-CE1 3.72Å; W40-F47 AromaticContact CD1-CZ 3.98Å; W40-F47 HydrophobicContact CD2-CD1 4.05Å; W40-F47 HydrophobicContact CD2-CD2 4.27Å; W40-F47 HydrophobicContact CD2-CE1 4.2Å; W40-F47 HydrophobicContact CD2-CE2 4.45Å; W40-F47 HydrophobicContact CD2-CG 4.05Å; W40-F47 HydrophobicContact CD2-CZ 4.39Å; W40-F47 HydrophobicContact CE3-CB 4.32Å; W40-F47 HydrophobicContact CE3-CD2 4.2Å; W40-F47 HydrophobicContact CE3-CG 4.08Å; W40-F47 HydrophobicContact CG-CD1 4.1Å; W40-F47 HydrophobicContact CG-CD2 4.29Å; W40-F47 AromaticContact CG-CE1 3.75Å; W40-F47 HydrophobicContact CG-CE1 3.75Å; W40-F47 AromaticContact CG-CE2 3.99Å; W40-F47 HydrophobicContact CG-CE2 3.99Å; W40-F47 HydrophobicContact CG-CG 4.32Å; W40-F47 AromaticContact CG-CZ 3.68Å; W40-F47 HydrophobicContact CG-CZ 3.68Å; W40-F47 HydrophobicContact CZ3-CB 4.38Å; W40-I49 HydrophobicContact CH2-CD1 4.33Å; W40-L54 HydrophobicContact CH2-CD2 3.49Å; W40-L54 VanDerWaalsContact CH2-CD2 3.49Å; W40-L54 HydrophobicContact CZ2-CD2 3.88Å; W40-L62 HydrophobicContact CD2-CD1 3.74Å; W40-L62 HydrophobicContact CD2-CD2 4.33Å; W40-L62 HydrophobicContact CE3-CD1 4.39Å; W40-L62 HydrophobicContact CE3-CD2 4.24Å; W40-L62 HydrophobicContact CG-CD1 3.81Å; W40-L62 HydrophobicContact CH2-CD2 4Å; W40-L62 HydrophobicContact CZ2-CD1 4.23Å; W40-L62 HydrophobicContact CZ2-CD2 4.07Å; W40-L62 HydrophobicContact CZ3-CD2 4.07Å; W40-V63 PolarHBondContact N-O 3.05Å; W40-I64 HydrophobicContact CB-CG1 4.38Å; W40-I64 HydrophobicContact CB-CG2 4.36Å; W40-I64 HydrophobicContact CE3-CD1 3.97Å; W40-I64 HydrophobicContact CE3-CG1 4.04Å; W40-I64 HydrophobicContact CZ3-CD1 4.29Å; W40-D65 WeakPolarHBondContact O-CB 3.44Å; W40-D65 PolarHBondContact O-N 2.92Å; W40-I70 HydrophobicContact CE3-CG1 4.01Å; W40-I70 HydrophobicContact CZ3-CG1 3.71Å; W40-I70 HydrophobicContact CZ3-CG2 4.11Å
41	T	92	Very high	88.9	Confident	35 Å²	35	57.2 Å²	57.2	22%	0.215	32%	0.32	C	S	.	.			trans	-98	155.8	-171.5	63.6	0	0	0	0	111.8	T43 E44 S45 F47 D65	T41-T43 PolarHBondContact O-N 3.48Å; T41-T43 PolarHBondContact OG1-OG1 2.9Å; T41-E44 PolarHBondContact O-N 2.94Å; T41-S45 PolarHBondContact O-N 2.98Å; T41-F47 WeakPolarHBondContact O-CE2 3.45Å; T41-D65 WeakPolarHBondContact CA-OD2 3.45Å
42	L	88.6	Confident	89.5	Confident	65 Å²	65	54.5 Å²	54.5	34%	0.34	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-61.5	-30	179.3	-176.7	62.8	0	0	0	113.1	E44 S45 G67	L42-E44 PolarHBondContact O-N 3.18Å; L42-S45 VanDerWaalsContact O-CB 3.3Å; L42-S45 WeakPolarHBondContact O-CB 3.29Å; L42-S45 PolarHBondContact O-N 2.9Å; L42-G67 WeakPolarHBondContact CD1-O 3.28Å
43	T	86.4	Confident	90.1	Very high	115 Å²	115	53.3 Å²	53.3	71%	0.706	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-66.7	-24.9	178.6	43	0	0	0	0	113.6	T41	T41-T43 PolarHBondContact O-N 3.48Å; T41-T43 PolarHBondContact OG1-OG1 2.9Å
44	E	87.9	Confident	90.4	Very high	82 Å²	82	50.6 Å²	50.6	38%	0.383	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-98.6	0.8	179.8	-69.6	171.8	-175	0	0	112.2	T28 T41 L42 F47	T28-E44 VanDerWaalsContact CB-O 3.26Å; T28-E44 WeakPolarHBondContact CB-O 3.32Å; T28-E44 WeakPolarHBondContact OG1-CB 3.23Å; T28-E44 PolarHBondContact OG1-O 2.92Å; T41-E44 PolarHBondContact O-N 2.94Å; L42-E44 PolarHBondContact O-N 3.18Å; E44-F47 HydrophobicContact CB-CE1 3.88Å; E44-F47 HydrophobicContact CB-CE2 4.12Å; E44-F47 HydrophobicContact CB-CZ 3.42Å; E44-F47 VanDerWaalsContact CB-CZ 3.42Å
45	S	88.6	Confident	90.6	Very high	7 Å²	7	52.7 Å²	52.7	5%	0.049	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-75	140.6	178.1	178.7	0	0	0	0	110.9	F25 T41 L42 R69	F25-S45 WeakPolarHBondContact CD1-O 3.11Å; T41-S45 PolarHBondContact O-N 2.98Å; L42-S45 VanDerWaalsContact O-CB 3.3Å; L42-S45 WeakPolarHBondContact O-CB 3.29Å; L42-S45 PolarHBondContact O-N 2.9Å; S45-R69 PolarHBondContact OG-N 3.33Å
46	P	90.6	Very high	91	Very high	22 Å²	22	47.6 Å²	47.6	14%	0.143	26%	0.255	C	S	.	.	S	Bend	cis	-85.2	145.7	3.6	34	-34	0	0	0	113.5	L27 T28 R69 L71	L27-P46 HydrophobicContact CD2-CG 3.98Å; T28-P46 PolarHBondContact N-O 2.84Å; T28-P46 VanDerWaalsContact N-O 3.13Å; P46-R69 CarbonylContact C-O 3.52Å; P46-R69 VanDerWaalsContact CA-O 3.25Å; P46-R69 WeakPolarHBondContact CA-O 3.38Å; P46-R69 HydrophobicContact CB-CB 4Å; P46-L71 HydrophobicContact CB-CD1 4.1Å; P46-L71 HydrophobicContact CB-CG 4.2Å; P46-L71 HydrophobicContact CG-CD1 4.22Å
47	F	92.2	Very high	91.1	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.2	172	-67.6	-88.8	0	0	0	111.1	T28 I30 W40 T41 E44 V68 R69 I70 L71	T28-F47 HydrophobicContact CG2-CD1 3.68Å; T28-F47 HydrophobicContact CG2-CE1 3.67Å; T28-F47 CarbonylContact O-C 3.53Å; T28-F47 WeakPolarHBondContact O-CA 3.35Å; I30-F47 HydrophobicContact CD1-CD1 3.63Å; I30-F47 HydrophobicContact CD1-CE1 4.17Å; I30-F47 HydrophobicContact CG1-CB 4.13Å; I30-F47 HydrophobicContact CG1-CD1 3.77Å; I30-F47 HydrophobicContact CG1-CG 4.4Å; W40-F47 HydrophobicContact CB-CD2 4.17Å; W40-F47 HydrophobicContact CB-CE1 4.08Å; W40-F47 HydrophobicContact CB-CE2 3.55Å; W40-F47 HydrophobicContact CB-CZ 3.48Å; W40-F47 VanDerWaalsContact CB-CZ 3.48Å; W40-F47 AromaticContact CD1-CE1 3.72Å; W40-F47 AromaticContact CD1-CZ 3.98Å; W40-F47 HydrophobicContact CD2-CD1 4.05Å; W40-F47 HydrophobicContact CD2-CD2 4.27Å; W40-F47 HydrophobicContact CD2-CE1 4.2Å; W40-F47 HydrophobicContact CD2-CE2 4.45Å; W40-F47 HydrophobicContact CD2-CG 4.05Å; W40-F47 HydrophobicContact CD2-CZ 4.39Å; W40-F47 HydrophobicContact CE3-CB 4.32Å; W40-F47 HydrophobicContact CE3-CD2 4.2Å; W40-F47 HydrophobicContact CE3-CG 4.08Å; W40-F47 HydrophobicContact CG-CD1 4.1Å; W40-F47 HydrophobicContact CG-CD2 4.29Å; W40-F47 AromaticContact CG-CE1 3.75Å; W40-F47 HydrophobicContact CG-CE1 3.75Å; W40-F47 AromaticContact CG-CE2 3.99Å; W40-F47 HydrophobicContact CG-CE2 3.99Å; W40-F47 HydrophobicContact CG-CG 4.32Å; W40-F47 AromaticContact CG-CZ 3.68Å; W40-F47 HydrophobicContact CG-CZ 3.68Å; W40-F47 HydrophobicContact CZ3-CB 4.38Å; T41-F47 WeakPolarHBondContact O-CE2 3.45Å; E44-F47 HydrophobicContact CB-CE1 3.88Å; E44-F47 HydrophobicContact CB-CE2 4.12Å; E44-F47 HydrophobicContact CB-CZ 3.42Å; E44-F47 VanDerWaalsContact CB-CZ 3.42Å; F47-V68 HydrophobicContact CD2-CG1 3.39Å; F47-V68 HydrophobicContact CE2-CG1 3.58Å; F47-V68 HydrophobicContact CE2-CG2 4.32Å; F47-R69 PolarHBondContact N-O 3.04Å; F47-I70 CarbonylContact O-C 3.54Å; F47-I70 WeakPolarHBondContact O-CA 3.09Å; F47-L71 PolarHBondContact O-N 3.11Å
48	I	91	Very high	91	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.9	-168.3	-55.6	161.3	0	0	0	110.5	L27 T28 Y29 I30 I50 L71 W99	L27-I48 HydrophobicContact CB-CD1 3.65Å; L27-I48 HydrophobicContact CD2-CD1 3.61Å; L27-I48 HydrophobicContact CG-CD1 4.17Å; T28-I48 PolarHBondContact O-N 2.69Å; Y29-I48 HydrophobicContact CD1-CB 3.91Å; Y29-I48 HydrophobicContact CD1-CD1 4.26Å; Y29-I48 HydrophobicContact CD1-CG2 3.81Å; Y29-I48 HydrophobicContact CE1-CB 4.14Å; Y29-I48 HydrophobicContact CE1-CD1 3.9Å; Y29-I48 HydrophobicContact CE1-CG2 3.75Å; Y29-I48 HydrophobicContact CE2-CD1 4.29Å; I30-I48 PolarHBondContact N-O 2.84Å; I48-I50 HydrophobicContact CG2-CB 4.35Å; I48-I50 HydrophobicContact CG2-CG1 4.19Å; I48-I50 HydrophobicContact CG2-CG2 3.45Å; I48-I50 VanDerWaalsContact CG2-CG2 3.45Å; I48-L71 WeakPolarHBondContact CA-O 3.07Å; I48-W99 HydrophobicContact CB-CE3 4.25Å; I48-W99 HydrophobicContact CB-CZ3 4.01Å; I48-W99 HydrophobicContact CD1-CE3 4.25Å; I48-W99 HydrophobicContact CD1-CH2 3.62Å; I48-W99 HydrophobicContact CD1-CZ3 3.24Å; I48-W99 HydrophobicContact CG1-CE3 3.91Å; I48-W99 HydrophobicContact CG1-CH2 4.2Å; I48-W99 HydrophobicContact CG1-CZ3 3.36Å; I48-W99 HydrophobicContact CG2-CD2 4.03Å; I48-W99 HydrophobicContact CG2-CE3 3.39Å; I48-W99 HydrophobicContact CG2-CH2 3.97Å; I48-W99 HydrophobicContact CG2-CZ3 3.42Å; I48-W99 VanDerWaalsContact CG2-CZ3 3.42Å
49	I	91.2	Very high	90.8	Very high	2 Å²	2	54 Å²	54	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	100.9	176.5	-56.6	167.9	0	0	0	107	I30 W40 D52 L54 I70 L71 I72 G73 L76 I78	I30-I49 HydrophobicContact CB-CG1 4.19Å; I30-I49 HydrophobicContact CG2-CG1 4.29Å; W40-I49 HydrophobicContact CH2-CD1 4.33Å; I49-D52 WeakPolarHBondContact CG2-O 3.33Å; I49-L54 HydrophobicContact CD1-CB 3.95Å; I49-L54 HydrophobicContact CD1-CD2 3.72Å; I49-L54 HydrophobicContact CD1-CG 4.45Å; I49-L54 HydrophobicContact CG2-CB 4.47Å; I49-I70 HydrophobicContact CD1-CG2 4.01Å; I49-L71 PolarHBondContact N-O 3.01Å; I49-I72 HydrophobicContact CB-CG2 4.47Å; I49-I72 HydrophobicContact CD1-CG1 4.28Å; I49-I72 CarbonylContact O-C 3.54Å; I49-I72 WeakPolarHBondContact O-CA 2.86Å; I49-G73 PolarHBondContact O-N 2.87Å; I49-L76 HydrophobicContact CG2-CD1 4.14Å; I49-L76 WeakPolarHBondContact O-CD1 3.49Å; I49-I78 HydrophobicContact CD1-CD1 4.14Å; I49-I78 HydrophobicContact CD1-CG1 4.1Å
50	I	87	Confident	90.8	Very high	53 Å²	53	47.7 Å²	47.7	27%	0.272	25%	0.249	S	C	.	.			trans	-120.7	-22.3	-173.3	47.7	159.1	0	0	0	115.1	Y29 I48 L76 W99	Y29-I50 HydrophobicContact CD1-CD1 3.82Å; Y29-I50 HydrophobicContact CD1-CG1 4.04Å; Y29-I50 HydrophobicContact CE1-CD1 3.61Å; Y29-I50 HydrophobicContact CE1-CG1 4.21Å; I48-I50 HydrophobicContact CG2-CB 4.35Å; I48-I50 HydrophobicContact CG2-CG1 4.19Å; I48-I50 HydrophobicContact CG2-CG2 3.45Å; I48-I50 VanDerWaalsContact CG2-CG2 3.45Å; I50-L76 VanDerWaalsContact C-CD1 3.45Å; I50-W99 HydrophobicContact CG2-CD2 3.91Å; I50-W99 HydrophobicContact CG2-CE3 4.47Å; I50-W99 HydrophobicContact CG2-CG 3.94Å
51	H	86.4	Confident	90.9	Very high	135 Å²	135	50.7 Å²	50.7	63%	0.625	26%	0.262	S	S	*	.	S	Bend	trans	-96.1	-57.9	-174.9	-59.7	106.2	0	0	0	111.1	R299	H51-R299 PolarHBondContact O-NH2 2.81Å
52	D	90.5	Very high	91	Very high	79 Å²	79	49 Å²	49	42%	0.422	25%	0.252	S	S	.	.	S	Bend	trans	-127.9	158.5	-170.5	-74	-43.4	0	0	0	114	I49 L54 R299	I49-D52 WeakPolarHBondContact CG2-O 3.33Å; D52-L54 PolarHBondContact O-N 3.02Å; D52-R299 IonicContact OD1-NH1 3.16Å; D52-R299 IonicContact OD1-NH2 3.93Å; D52-R299 PolarHBondContact OD1-NH2 2.9Å; D52-R299 VanDerWaalsContact OD1-NH2 3.1Å
53	D	92.7	Very high	91.4	Very high	28 Å²	28	47.1 Å²	47.1	15%	0.15	24%	0.243	C	C	.	.			trans	-55.2	133.5	168.4	-73.1	-29	0	0	0	109.2	I55 L76 S77 K79	D53-I55 PolarHBondContact O-N 3.41Å; D53-L76 WeakPolarHBondContact OD1-CA 3.43Å; D53-S77 CarbonylContact C-O 3.57Å; D53-S77 WeakPolarHBondContact CA-O 3.23Å; D53-S77 PolarHBondContact OD1-N 3.09Å; D53-S77 PolarHBondContact OD1-OG 3.42Å; D53-S77 PolarHBondContact OD2-OG 2.83Å; D53-K79 VanDerWaalsContact OD2-CE 3.3Å; D53-K79 WeakPolarHBondContact OD2-CE 3.47Å; D53-K79 IonicContact OD2-NZ 3.05Å; D53-K79 PolarHBondContact OD2-NZ 3.26Å
54	L	94.5	Very high	91.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.2	173.7	179.5	64.7	0	0	0	109.7	I30 N31 S32 I34 W40 I49 D52 S77 I78 K79	I30-L54 HydrophobicContact CG2-CD1 3.7Å; I30-L54 HydrophobicContact CG2-CD2 4.42Å; N31-L54 WeakPolarHBondContact O-CD1 3.32Å; S32-L54 WeakPolarHBondContact O-CA 3.26Å; I34-L54 HydrophobicContact CD1-CD1 3.94Å; I34-L54 HydrophobicContact CD1-CD2 4.16Å; I34-L54 HydrophobicContact CD1-CG 4.34Å; I34-L54 HydrophobicContact CG1-CD1 3.75Å; W40-L54 HydrophobicContact CH2-CD2 3.49Å; W40-L54 VanDerWaalsContact CH2-CD2 3.49Å; W40-L54 HydrophobicContact CZ2-CD2 3.88Å; I49-L54 HydrophobicContact CD1-CB 3.95Å; I49-L54 HydrophobicContact CD1-CD2 3.72Å; I49-L54 HydrophobicContact CD1-CG 4.45Å; I49-L54 HydrophobicContact CG2-CB 4.47Å; D52-L54 PolarHBondContact O-N 3.02Å; L54-S77 PolarHBondContact N-O 2.92Å; L54-I78 HydrophobicContact CB-CG1 4.32Å; L54-I78 HydrophobicContact CD2-CG1 4.38Å; L54-I78 HydrophobicContact CD2-CG2 4.28Å; L54-I78 CarbonylContact O-C 3.53Å; L54-I78 WeakPolarHBondContact O-CA 3.43Å; L54-K79 PolarHBondContact O-N 2.92Å
55	I	94.4	Very high	92.1	Very high	48 Å²	48	40.7 Å²	40.7	25%	0.246	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.3	179	-54.6	176.9	0	0	0	110.1	S32 S33 I34 D53 N57 K79	S32-I55 PolarHBondContact O-N 3.01Å; S33-I55 WeakPolarHBondContact CA-O 3.24Å; I34-I55 PolarHBondContact N-O 2.76Å; D53-I55 PolarHBondContact O-N 3.41Å; I55-N57 PolarHBondContact O-N 3.11Å; I55-K79 WeakPolarHBondContact CA-O 3.34Å; I55-K79 HydrophobicContact CG1-CB 4.4Å
56	I	94.9	Very high	92.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	103.2	166.4	-54.8	176.4	0	0	0	107.2	I34 A60 L62 K79 V80 K81 G82 I84	I34-I56 HydrophobicContact CD1-CG1 4.24Å; I56-A60 HydrophobicContact CG2-CB 3.99Å; I56-L62 HydrophobicContact CD1-CB 3.67Å; I56-L62 HydrophobicContact CD1-CD2 3.91Å; I56-L62 HydrophobicContact CD1-CG 4.45Å; I56-L62 HydrophobicContact CG1-CB 4.39Å; I56-K79 PolarHBondContact N-O 2.95Å; I56-V80 HydrophobicContact CB-CG1 4.32Å; I56-V80 HydrophobicContact CD1-CG1 4.19Å; I56-V80 HydrophobicContact CD1-CG2 4.02Å; I56-K81 WeakPolarHBondContact O-CA 3.39Å; I56-K81 WeakPolarHBondContact O-CB 3.18Å; I56-K81 PolarHBondContact O-N 2.97Å; I56-G82 PolarHBondContact O-N 2.96Å; I56-I84 HydrophobicContact CD1-CB 3.93Å; I56-I84 HydrophobicContact CD1-CD1 4.14Å; I56-I84 HydrophobicContact CD1-CG1 4.22Å
57	N	93.7	Very high	92.6	Very high	47 Å²	47	42 Å²	42	25%	0.251	22%	0.218	S	C	.	.			trans	-63.7	158.9	-174.7	-75.9	-47.5	0	0	0	112.6	I34 T35 I55 K59 A60 G82	I34-N57 PolarHBondContact O-N 3.01Å; I34-N57 PolarHBondContact O-ND2 3.21Å; T35-N57 WeakPolarHBondContact CG2-ND2 3.4Å; I55-N57 PolarHBondContact O-N 3.11Å; N57-K59 PolarHBondContact O-N 2.84Å; N57-A60 HydrophobicContact CB-CB 4.32Å; N57-A60 WeakPolarHBondContact O-CB 3.29Å; N57-A60 PolarHBondContact O-N 2.84Å; N57-G82 WeakPolarHBondContact O-CA 3.45Å; N57-G82 PolarHBondContact O-N 3.32Å
58	P	90.7	Very high	92.7	Very high	81 Å²	81	42 Å²	42	53%	0.526	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	138.5	172.3	-22.8	32.3	0	0	0	110.9	A60 K81	P58-A60 PolarHBondContact O-N 3.4Å; P58-A60 VanDerWaalsContact O-N 3.11Å; P58-K81 HydrophobicContact CG-CB 3.95Å; P58-K81 HydrophobicContact CG-CD 4.25Å
59	K	87.8	Confident	92.9	Very high	197 Å²	197	49.1 Å²	49.1	86%	0.857	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	-9.7	-174.1	-48.6	177.5	179.9	179.1	0	116.3	N57	N57-K59 PolarHBondContact O-N 2.84Å
60	A	93.1	Very high	93.1	Very high	3 Å²	3	49 Å²	49	3%	0.025	25%	0.245	C	C	.	.			trans	-75	154.9	171.9	0	0	0	0	0	111	I34 G36 I56 N57 P58 G82 V83	I34-A60 WeakPolarHBondContact O-CB 3.26Å; G36-A60 CarbonylContact O-C 3.54Å; G36-A60 VanDerWaalsContact O-CA 3.25Å; G36-A60 WeakPolarHBondContact O-CA 3.36Å; G36-A60 WeakPolarHBondContact O-CB 3.34Å; I56-A60 HydrophobicContact CG2-CB 3.99Å; N57-A60 HydrophobicContact CB-CB 4.32Å; N57-A60 WeakPolarHBondContact O-CB 3.29Å; N57-A60 PolarHBondContact O-N 2.84Å; P58-A60 PolarHBondContact O-N 3.4Å; P58-A60 VanDerWaalsContact O-N 3.11Å; A60-G82 CarbonylContact O-C 3.55Å; A60-G82 WeakPolarHBondContact O-CA 3.37Å; A60-V83 PolarHBondContact O-N 3.29Å
61	K	94.6	Very high	93.4	Very high	64 Å²	64	47.5 Å²	47.5	28%	0.278	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	121.3	-178.4	-175.8	-176.1	180	-165.2	0	110.2	G36 T37 Q38 V63 V83 H85	G36-K61 PolarHBondContact O-N 2.78Å; T37-K61 CarbonylContact C-O 3.57Å; T37-K61 WeakPolarHBondContact CA-O 3.45Å; T37-K61 HydrophobicContact CG2-CB 4.21Å; T37-K61 HydrophobicContact CG2-CD 4.2Å; T37-K61 HydrophobicContact CG2-CG 4.38Å; Q38-K61 PolarHBondContact N-O 2.85Å; K61-V63 HydrophobicContact CD-CG2 4.16Å; K61-V63 HydrophobicContact CG-CG2 4.14Å; K61-V83 CarbonylContact C-O 3.6Å; K61-V83 VanDerWaalsContact CA-O 3.31Å; K61-V83 WeakPolarHBondContact CA-O 3.48Å; K61-V83 HydrophobicContact CB-CB 4.38Å; K61-V83 HydrophobicContact CG-CB 4.19Å; K61-V83 HydrophobicContact CG-CG1 4.19Å; K61-H85 VanDerWaalsContact CE-CE1 3.47Å; K61-H85 WeakPolarHBondContact CE-CE1 3.23Å; K61-H85 WeakPolarHBondContact CE-ND1 3.22Å
62	L	95	Very high	93.8	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.4	168.9	176.4	59	0	0	0	109.2	I34 Q38 W40 I56 I64 V83 I84 H85	I34-L62 HydrophobicContact CD1-CB 4.17Å; I34-L62 HydrophobicContact CD1-CD1 3.93Å; I34-L62 HydrophobicContact CD1-CD2 3.86Å; I34-L62 HydrophobicContact CD1-CG 4.19Å; Q38-L62 HydrophobicContact CB-CD1 4.31Å; W40-L62 HydrophobicContact CD2-CD1 3.74Å; W40-L62 HydrophobicContact CD2-CD2 4.33Å; W40-L62 HydrophobicContact CE3-CD1 4.39Å; W40-L62 HydrophobicContact CE3-CD2 4.24Å; W40-L62 HydrophobicContact CG-CD1 3.81Å; W40-L62 HydrophobicContact CH2-CD2 4Å; W40-L62 HydrophobicContact CZ2-CD1 4.23Å; W40-L62 HydrophobicContact CZ2-CD2 4.07Å; W40-L62 HydrophobicContact CZ3-CD2 4.07Å; I56-L62 HydrophobicContact CD1-CB 3.67Å; I56-L62 HydrophobicContact CD1-CD2 3.91Å; I56-L62 HydrophobicContact CD1-CG 4.45Å; I56-L62 HydrophobicContact CG1-CB 4.39Å; L62-I64 HydrophobicContact CD1-CG1 4.31Å; L62-I64 HydrophobicContact CD2-CD1 4.01Å; L62-I64 HydrophobicContact CD2-CG1 4.14Å; L62-I64 HydrophobicContact CG-CD1 4.3Å; L62-I64 HydrophobicContact CG-CG1 3.91Å; L62-V83 PolarHBondContact N-O 2.63Å; L62-I84 HydrophobicContact CB-CG1 4.45Å; L62-I84 HydrophobicContact CD2-CD1 4.21Å; L62-I84 HydrophobicContact CD2-CG1 4.38Å; L62-H85 PolarHBondContact O-N 3.07Å
63	V	95.6	Very high	93.9	Very high	24 Å²	24	37.6 Å²	37.6	15%	0.145	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.8	173.4	-176.1	0	0	0	0	108.2	T37 Q38 Y39 W40 K61 H85	T37-V63 HydrophobicContact CG2-CG2 4.43Å; Q38-V63 PolarHBondContact O-N 2.89Å; Y39-V63 CarbonylContact C-O 3.49Å; Y39-V63 WeakPolarHBondContact CA-O 3.19Å; Y39-V63 HydrophobicContact CD1-CB 3.6Å; Y39-V63 HydrophobicContact CD1-CG1 3.84Å; Y39-V63 HydrophobicContact CD1-CG2 4.16Å; Y39-V63 HydrophobicContact CE1-CB 3.79Å; Y39-V63 HydrophobicContact CE1-CG1 3.96Å; Y39-V63 HydrophobicContact CE1-CG2 3.84Å; Y39-V63 HydrophobicContact CG-CB 4.44Å; W40-V63 PolarHBondContact N-O 3.05Å; K61-V63 HydrophobicContact CD-CG2 4.16Å; K61-V63 HydrophobicContact CG-CG2 4.14Å; V63-H85 WeakPolarHBondContact CA-O 3.37Å; V63-H85 HydrophobicContact CG2-CB 4.31Å
64	I	95.9	Very high	93.8	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.3	-177.1	-52.7	177.1	0	0	0	108.7	W40 L62 V68 I70 I84 H85 A86 I94 F96	W40-I64 HydrophobicContact CB-CG1 4.38Å; W40-I64 HydrophobicContact CB-CG2 4.36Å; W40-I64 HydrophobicContact CE3-CD1 3.97Å; W40-I64 HydrophobicContact CE3-CG1 4.04Å; W40-I64 HydrophobicContact CZ3-CD1 4.29Å; L62-I64 HydrophobicContact CD1-CG1 4.31Å; L62-I64 HydrophobicContact CD2-CD1 4.01Å; L62-I64 HydrophobicContact CD2-CG1 4.14Å; L62-I64 HydrophobicContact CG-CD1 4.3Å; L62-I64 HydrophobicContact CG-CG1 3.91Å; I64-V68 HydrophobicContact CG2-CB 3.62Å; I64-V68 HydrophobicContact CG2-CG1 3.74Å; I64-V68 HydrophobicContact CG2-CG2 4.07Å; I64-I70 HydrophobicContact CG2-CD1 4.48Å; I64-I84 HydrophobicContact CD1-CD1 4.29Å; I64-H85 PolarHBondContact N-O 3.26Å; I64-A86 HydrophobicContact CD1-CB 4.27Å; I64-I94 HydrophobicContact CB-CD1 4.01Å; I64-I94 HydrophobicContact CG2-CD1 3.78Å; I64-I94 HydrophobicContact CG2-CG1 4.12Å; I64-I94 HydrophobicContact CG2-CG2 3.93Å; I64-F96 HydrophobicContact CD1-CE1 4.29Å; I64-F96 HydrophobicContact CD1-CZ 3.7Å
65	D	94.3	Very high	93.7	Very high	59 Å²	59	39.6 Å²	39.6	32%	0.316	21%	0.211	S	C	.	.			trans	-73	155.6	179.4	-78.8	-7.4	0	0	0	112.5	W40 T41 G67 V68 I94	W40-D65 WeakPolarHBondContact O-CB 3.44Å; W40-D65 PolarHBondContact O-N 2.92Å; T41-D65 WeakPolarHBondContact CA-OD2 3.45Å; D65-G67 PolarHBondContact O-N 2.76Å; D65-V68 HydrophobicContact CB-CG2 4.13Å; D65-V68 WeakPolarHBondContact O-CB 3.47Å; D65-V68 WeakPolarHBondContact O-CG2 3.37Å; D65-V68 PolarHBondContact O-N 3.01Å; D65-I94 WeakPolarHBondContact O-CG1 3.17Å
66	P	95.8	Very high	93.7	Very high	40 Å²	40	37.5 Å²	37.5	26%	0.26	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	136.8	173.4	-23.5	31.1	0	0	0	113.8	V68 K87 T89 R92	P66-V68 VanDerWaalsContact C-N 3.32Å; P66-K87 WeakPolarHBondContact CG-O 3.12Å; P66-T89 HydrophobicContact CB-CG2 4.19Å; P66-T89 HydrophobicContact CG-CG2 4.07Å; P66-R92 CarbonylContact C-O 3.58Å; P66-R92 WeakPolarHBondContact CA-O 3.4Å; P66-R92 HydrophobicContact CB-CB 3.85Å; P66-R92 WeakPolarHBondContact CB-O 3.46Å
67	G	93.2	Very high	93.7	Very high	17 Å²	17	37.5 Å²	37.5	18%	0.175	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-3.8	176.5	0	0	0	0	0	115	L42 D65 R69 R92 R93	L42-G67 WeakPolarHBondContact CD1-O 3.28Å; D65-G67 PolarHBondContact O-N 2.76Å; G67-R69 PolarHBondContact O-N 3.24Å; G67-R92 PolarHBondContact N-O 3.05Å; G67-R93 WeakPolarHBondContact CA-O 3.46Å
68	V	95.4	Very high	93.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.			trans	-65.5	131.5	178.7	172.6	0	0	0	0	111	F47 I64 D65 P66 I70 I94 V95	F47-V68 HydrophobicContact CD2-CG1 3.39Å; F47-V68 HydrophobicContact CE2-CG1 3.58Å; F47-V68 HydrophobicContact CE2-CG2 4.32Å; I64-V68 HydrophobicContact CG2-CB 3.62Å; I64-V68 HydrophobicContact CG2-CG1 3.74Å; I64-V68 HydrophobicContact CG2-CG2 4.07Å; D65-V68 HydrophobicContact CB-CG2 4.13Å; D65-V68 WeakPolarHBondContact O-CB 3.47Å; D65-V68 WeakPolarHBondContact O-CG2 3.37Å; D65-V68 PolarHBondContact O-N 3.01Å; P66-V68 VanDerWaalsContact C-N 3.32Å; V68-I70 HydrophobicContact CG1-CD1 3.87Å; V68-I70 HydrophobicContact CG1-CG1 4.28Å; V68-I94 WeakPolarHBondContact O-CA 3.36Å; V68-V95 PolarHBondContact O-N 3.13Å
69	R	94.5	Very high	94	Very high	151 Å²	151	34.1 Å²	34.1	57%	0.57	18%	0.175	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.8	171.7	-80.7	179.9	161.7	-161.7	-3.6	110.4	S45 P46 F47 G67 V95	S45-R69 PolarHBondContact OG-N 3.33Å; P46-R69 CarbonylContact C-O 3.52Å; P46-R69 VanDerWaalsContact CA-O 3.25Å; P46-R69 WeakPolarHBondContact CA-O 3.38Å; P46-R69 HydrophobicContact CB-CB 4Å; F47-R69 PolarHBondContact N-O 3.04Å; G67-R69 PolarHBondContact O-N 3.24Å; R69-V95 HydrophobicContact CG-CB 4.11Å; R69-V95 HydrophobicContact CG-CG2 4.47Å
70	I	95.2	Very high	94.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.1	178.4	-52.8	84.2	0	0	0	108.1	W40 F47 I49 I64 V68 I72 I94 V95 F96 T97	W40-I70 HydrophobicContact CE3-CG1 4.01Å; W40-I70 HydrophobicContact CZ3-CG1 3.71Å; W40-I70 HydrophobicContact CZ3-CG2 4.11Å; F47-I70 CarbonylContact O-C 3.54Å; F47-I70 WeakPolarHBondContact O-CA 3.09Å; I49-I70 HydrophobicContact CD1-CG2 4.01Å; I64-I70 HydrophobicContact CG2-CD1 4.48Å; V68-I70 HydrophobicContact CG1-CD1 3.87Å; V68-I70 HydrophobicContact CG1-CG1 4.28Å; I70-I72 HydrophobicContact CG2-CD1 4.28Å; I70-I72 HydrophobicContact CG2-CG1 3.97Å; I70-I94 HydrophobicContact CD1-CG2 3.63Å; I70-V95 PolarHBondContact N-O 2.6Å; I70-F96 HydrophobicContact CB-CD1 3.83Å; I70-F96 HydrophobicContact CB-CE1 4.18Å; I70-F96 HydrophobicContact CD1-CD1 4Å; I70-F96 HydrophobicContact CD1-CD2 4.49Å; I70-F96 HydrophobicContact CD1-CE1 3.8Å; I70-F96 HydrophobicContact CD1-CE2 4.31Å; I70-F96 HydrophobicContact CD1-CG 4.35Å; I70-F96 HydrophobicContact CD1-CZ 3.97Å; I70-F96 HydrophobicContact CG1-CD1 4.04Å; I70-F96 HydrophobicContact CG1-CE1 3.88Å; I70-F96 HydrophobicContact CG2-CD1 4.13Å; I70-F96 HydrophobicContact CG2-CE1 4.41Å; I70-T97 PolarHBondContact O-N 3.28Å
71	L	94.2	Very high	94.4	Very high	20 Å²	20	29.2 Å²	29.2	11%	0.105	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.2	179.3	-55	179.1	0	0	0	109.8	P46 F47 I48 I49 T97 W99	P46-L71 HydrophobicContact CB-CD1 4.1Å; P46-L71 HydrophobicContact CB-CG 4.2Å; P46-L71 HydrophobicContact CG-CD1 4.22Å; F47-L71 PolarHBondContact O-N 3.11Å; I48-L71 WeakPolarHBondContact CA-O 3.07Å; I49-L71 PolarHBondContact N-O 3.01Å; L71-T97 WeakPolarHBondContact CA-O 3.39Å; L71-T97 HydrophobicContact CD2-CG2 3.43Å; L71-T97 VanDerWaalsContact CD2-CG2 3.43Å; L71-W99 HydrophobicContact CB-CB 4.31Å; L71-W99 HydrophobicContact CB-CE3 3.65Å; L71-W99 HydrophobicContact CB-CZ3 4.43Å; L71-W99 HydrophobicContact CD1-CE3 3.66Å; L71-W99 HydrophobicContact CD1-CZ3 3.79Å; L71-W99 HydrophobicContact CG-CE3 4.31Å
72	I	94.4	Very high	94.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.7	-170	-51.9	173.3	0	0	0	110.1	I49 I70 L76 I78 F96 T97 K98 W99 W252	I49-I72 HydrophobicContact CB-CG2 4.47Å; I49-I72 HydrophobicContact CD1-CG1 4.28Å; I49-I72 CarbonylContact O-C 3.54Å; I49-I72 WeakPolarHBondContact O-CA 2.86Å; I70-I72 HydrophobicContact CG2-CD1 4.28Å; I70-I72 HydrophobicContact CG2-CG1 3.97Å; I72-L76 HydrophobicContact CG2-CB 3.85Å; I72-I78 HydrophobicContact CD1-CD1 3.77Å; I72-I78 HydrophobicContact CD1-CG1 4.18Å; I72-F96 HydrophobicContact CD1-CD1 4.3Å; I72-T97 PolarHBondContact N-O 2.86Å; I72-K98 CarbonylContact O-C 3.55Å; I72-K98 WeakPolarHBondContact O-CA 3.37Å; I72-W99 PolarHBondContact O-N 3.23Å; I72-W252 HydrophobicContact CB-CB 3.95Å; I72-W252 HydrophobicContact CB-CD2 4.03Å; I72-W252 HydrophobicContact CB-CE3 4.29Å; I72-W252 HydrophobicContact CB-CG 3.87Å; I72-W252 HydrophobicContact CD1-CD2 3.65Å; I72-W252 HydrophobicContact CD1-CE3 3.39Å; I72-W252 HydrophobicContact CD1-CG 4.4Å; I72-W252 HydrophobicContact CD1-CH2 3.72Å; I72-W252 HydrophobicContact CD1-CZ2 3.96Å; I72-W252 HydrophobicContact CD1-CZ3 3.41Å; I72-W252 VanDerWaalsContact CD1-CZ3 3.41Å; I72-W252 HydrophobicContact CG1-CD2 4.4Å; I72-W252 HydrophobicContact CG1-CE3 4.42Å; I72-W252 HydrophobicContact CG2-CB 3.61Å; I72-W252 HydrophobicContact CG2-CD2 4.1Å; I72-W252 HydrophobicContact CG2-CE3 4.01Å; I72-W252 HydrophobicContact CG2-CG 3.96Å
73	G	92	Very high	94.3	Very high	6 Å²	6	26.9 Å²	26.9	6%	0.062	14%	0.144	C	C	.	.			trans	-64.5	155.8	177.2	0	0	0	0	0	112.6	I49 G75 L76 W252	I49-G73 PolarHBondContact O-N 2.87Å; G73-G75 PolarHBondContact O-N 3.29Å; G73-L76 WeakPolarHBondContact O-CB 3.47Å; G73-L76 WeakPolarHBondContact O-CG 3.38Å; G73-L76 PolarHBondContact O-N 3.06Å; G73-W252 WeakPolarHBondContact O-CB 3.26Å
74	A	91.4	Very high	94.3	Very high	64 Å²	64	25.8 Å²	25.8	53%	0.529	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	135.1	-176.9	0	0	0	0	0	112.1	L76 Y251	A74-L76 PolarHBondContact O-N 2.77Å; A74-Y251 WeakPolarHBondContact CA-O 3.49Å
75	G	92	Very high	94.3	Very high	6 Å²	6	27.7 Å²	27.7	6%	0.062	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	-8	178.2	0	0	0	0	0	116.4	G73 Y251 V297 R299	G73-G75 PolarHBondContact O-N 3.29Å; G75-Y251 PolarHBondContact N-O 3.05Å; G75-V297 WeakPolarHBondContact CA-O 3.43Å; G75-R299 WeakPolarHBondContact O-CG 3.24Å; G75-R299 PolarHBondContact O-N 2.88Å
76	L	94.6	Very high	94.4	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.026	13%	0.131	C	C	.	.			trans	-84	153.4	-175.6	-54.7	-178	0	0	0	112.7	I49 I50 D53 I72 G73 A74 K253 R299	I49-L76 HydrophobicContact CG2-CD1 4.14Å; I49-L76 WeakPolarHBondContact O-CD1 3.49Å; I50-L76 VanDerWaalsContact C-CD1 3.45Å; D53-L76 WeakPolarHBondContact OD1-CA 3.43Å; I72-L76 HydrophobicContact CG2-CB 3.85Å; G73-L76 WeakPolarHBondContact O-CB 3.47Å; G73-L76 WeakPolarHBondContact O-CG 3.38Å; G73-L76 PolarHBondContact O-N 3.06Å; A74-L76 PolarHBondContact O-N 2.77Å; L76-K253 WeakPolarHBondContact O-CB 3.43Å; L76-K253 PolarHBondContact O-N 2.9Å; L76-R299 VanDerWaalsContact CD2-NE 3.34Å
77	S	94.4	Very high	94.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159.5	179.7	45.3	0	0	0	0	113.4	D53 L54 K79 G254	D53-S77 CarbonylContact C-O 3.57Å; D53-S77 WeakPolarHBondContact CA-O 3.23Å; D53-S77 PolarHBondContact OD1-N 3.09Å; D53-S77 PolarHBondContact OD1-OG 3.42Å; D53-S77 PolarHBondContact OD2-OG 2.83Å; L54-S77 PolarHBondContact N-O 2.92Å; S77-K79 WeakPolarHBondContact OG-CE 3.05Å; S77-G254 WeakPolarHBondContact CA-O 3.4Å; S77-G254 VanDerWaalsContact CB-O 3.32Å; S77-G254 WeakPolarHBondContact CB-O 3.43Å
78	I	95.7	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	107	163.8	-58.6	177.3	0	0	0	107.4	I49 L54 I72 V80 F96 G254 I255 E256	I49-I78 HydrophobicContact CD1-CD1 4.14Å; I49-I78 HydrophobicContact CD1-CG1 4.1Å; L54-I78 HydrophobicContact CB-CG1 4.32Å; L54-I78 HydrophobicContact CD2-CG1 4.38Å; L54-I78 HydrophobicContact CD2-CG2 4.28Å; L54-I78 CarbonylContact O-C 3.53Å; L54-I78 WeakPolarHBondContact O-CA 3.43Å; I72-I78 HydrophobicContact CD1-CD1 3.77Å; I72-I78 HydrophobicContact CD1-CG1 4.18Å; I78-V80 HydrophobicContact CG2-CG2 4.12Å; I78-F96 HydrophobicContact CD1-CD1 3.71Å; I78-F96 HydrophobicContact CD1-CE1 3.6Å; I78-G254 PolarHBondContact N-O 2.99Å; I78-G254 VanDerWaalsContact N-O 3.13Å; I78-I255 HydrophobicContact CB-CG1 4.36Å; I78-I255 HydrophobicContact CB-CG2 4.44Å; I78-I255 CarbonylContact O-C 3.51Å; I78-I255 WeakPolarHBondContact O-CA 3.32Å; I78-E256 PolarHBondContact O-N 3.06Å
79	K	95.3	Very high	94.4	Very high	56 Å²	56	29.4 Å²	29.4	24%	0.243	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.2	178.9	-66.7	177.7	-172.4	156.2	0	110.1	D53 L54 I55 I56 S77 E256	D53-K79 VanDerWaalsContact OD2-CE 3.3Å; D53-K79 WeakPolarHBondContact OD2-CE 3.47Å; D53-K79 IonicContact OD2-NZ 3.05Å; D53-K79 PolarHBondContact OD2-NZ 3.26Å; L54-K79 PolarHBondContact O-N 2.92Å; I55-K79 WeakPolarHBondContact CA-O 3.34Å; I55-K79 HydrophobicContact CG1-CB 4.4Å; I56-K79 PolarHBondContact N-O 2.95Å; S77-K79 WeakPolarHBondContact OG-CE 3.05Å; K79-E256 CarbonylContact C-O 3.55Å; K79-E256 WeakPolarHBondContact CA-O 3.46Å
80	V	95.8	Very high	94.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	105	-176.1	-169	0	0	0	0	110.3	I56 I78 I84 I255 E256 I257 I258	I56-V80 HydrophobicContact CB-CG1 4.32Å; I56-V80 HydrophobicContact CD1-CG1 4.19Å; I56-V80 HydrophobicContact CD1-CG2 4.02Å; I78-V80 HydrophobicContact CG2-CG2 4.12Å; V80-I84 HydrophobicContact CG1-CB 4.27Å; V80-I84 HydrophobicContact CG1-CG2 4.1Å; V80-I84 HydrophobicContact CG2-CB 4.48Å; V80-I84 HydrophobicContact CG2-CG2 4.17Å; V80-I255 HydrophobicContact CG2-CG2 4.15Å; V80-E256 PolarHBondContact N-O 3Å; V80-I257 HydrophobicContact CB-CB 4.48Å; V80-I257 HydrophobicContact CB-CG1 3.96Å; V80-I257 HydrophobicContact CG2-CG1 4.11Å; V80-I257 WeakPolarHBondContact O-CA 3.37Å; V80-I258 PolarHBondContact O-N 3.05Å
81	K	94.1	Very high	94.2	Very high	97 Å²	97	32 Å²	32	42%	0.422	18%	0.18	S	C	.	.	S	Bend	trans	-100.3	-24.2	167.2	-61.5	176.2	178.6	178	0	111.8	I56 P58 A260	I56-K81 WeakPolarHBondContact O-CA 3.39Å; I56-K81 WeakPolarHBondContact O-CB 3.18Å; I56-K81 PolarHBondContact O-N 2.97Å; P58-K81 HydrophobicContact CG-CB 3.95Å; P58-K81 HydrophobicContact CG-CD 4.25Å; K81-A260 WeakPolarHBondContact O-CA 3.47Å
82	G	93	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-89.4	-125.4	173.7	0	0	0	0	0	112.4	I56 N57 A60 T261	I56-G82 PolarHBondContact O-N 2.96Å; N57-G82 WeakPolarHBondContact O-CA 3.45Å; N57-G82 PolarHBondContact O-N 3.32Å; A60-G82 CarbonylContact O-C 3.55Å; A60-G82 WeakPolarHBondContact O-CA 3.37Å; G82-T261 PolarHBondContact O-N 3.28Å
83	V	94.4	Very high	94.3	Very high	16 Å²	16	40.7 Å²	40.7	10%	0.097	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.4	-177.5	179.3	0	0	0	0	110.1	A60 K61 L62 H85 T261 A284	A60-V83 PolarHBondContact O-N 3.29Å; K61-V83 CarbonylContact C-O 3.6Å; K61-V83 VanDerWaalsContact CA-O 3.31Å; K61-V83 WeakPolarHBondContact CA-O 3.48Å; K61-V83 HydrophobicContact CB-CB 4.38Å; K61-V83 HydrophobicContact CG-CB 4.19Å; K61-V83 HydrophobicContact CG-CG1 4.19Å; L62-V83 PolarHBondContact N-O 2.63Å; V83-H85 WeakPolarHBondContact CG1-CD2 2.93Å; V83-H85 WeakPolarHBondContact CG1-NE2 3.49Å; V83-T261 HydrophobicContact CG2-CG2 4.35Å; V83-A284 HydrophobicContact CG1-CB 4.16Å; V83-A284 WeakPolarHBondContact CG1-O 3.42Å; V83-A284 HydrophobicContact CG2-CB 3.77Å
84	I	95.2	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124	168.6	-170.4	169.3	0	0	0	109.7	I56 L62 I64 V80 S285 I286 F287	I56-I84 HydrophobicContact CD1-CB 3.93Å; I56-I84 HydrophobicContact CD1-CD1 4.14Å; I56-I84 HydrophobicContact CD1-CG1 4.22Å; L62-I84 HydrophobicContact CB-CG1 4.45Å; L62-I84 HydrophobicContact CD2-CD1 4.21Å; L62-I84 HydrophobicContact CD2-CG1 4.38Å; I64-I84 HydrophobicContact CD1-CD1 4.29Å; V80-I84 HydrophobicContact CG1-CB 4.27Å; V80-I84 HydrophobicContact CG1-CG2 4.1Å; V80-I84 HydrophobicContact CG2-CB 4.48Å; V80-I84 HydrophobicContact CG2-CG2 4.17Å; I84-S285 PolarHBondContact N-OG 3.09Å; I84-S285 VanDerWaalsContact N-OG 3.09Å; I84-S285 CarbonylContact O-C 3.52Å; I84-S285 WeakPolarHBondContact O-CA 3.31Å; I84-I286 PolarHBondContact O-N 2.88Å; I84-F287 HydrophobicContact CD1-CE1 4.32Å; I84-F287 HydrophobicContact CD1-CZ 4.23Å; I84-F287 HydrophobicContact CG2-CE1 4.47Å; I84-F287 HydrophobicContact CG2-CE2 3.82Å; I84-F287 HydrophobicContact CG2-CZ 3.58Å
85	H	95.5	Very high	94.8	Very high	43 Å²	43	38.1 Å²	38.1	20%	0.199	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	94	174.5	-77.5	-158.1	0	0	0	108	K61 L62 V63 I64 V83 A284	K61-H85 VanDerWaalsContact CE-CE1 3.47Å; K61-H85 WeakPolarHBondContact CE-CE1 3.23Å; K61-H85 WeakPolarHBondContact CE-ND1 3.22Å; L62-H85 PolarHBondContact O-N 3.07Å; V63-H85 WeakPolarHBondContact CA-O 3.37Å; V63-H85 HydrophobicContact CG2-CB 4.31Å; I64-H85 PolarHBondContact N-O 3.26Å; V83-H85 WeakPolarHBondContact CG1-CD2 2.93Å; V83-H85 WeakPolarHBondContact CG1-NE2 3.49Å; H85-A284 PolarHBondContact CD2-O 2.88Å; H85-A284 PolarHBondContact NE2-O 3.44Å; H85-A284 VanDerWaalsContact NE2-O 3.15Å
86	A	96	Very high	95.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	100	173.9	0	0	0	0	0	108.2	I64 I94 I286 F287 E288 V290	I64-A86 HydrophobicContact CD1-CB 4.27Å; A86-I94 HydrophobicContact CB-CD1 3.99Å; A86-I286 PolarHBondContact N-O 3.13Å; A86-F287 HydrophobicContact CB-CD1 3.91Å; A86-F287 HydrophobicContact CB-CE1 4.25Å; A86-F287 CarbonylContact O-C 3.57Å; A86-F287 WeakPolarHBondContact O-CA 3.22Å; A86-E288 PolarHBondContact O-N 3.06Å; A86-V290 HydrophobicContact CB-CG2 3.78Å
87	K	95.1	Very high	95.1	Very high	96 Å²	96	38.6 Å²	38.6	42%	0.417	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	96.5	-178.2	-67	-168.2	173.6	-157.1	0	110.3	P66 E288	P66-K87 WeakPolarHBondContact CG-O 3.12Å; K87-E288 HydrophobicContact CB-CB 4.45Å; K87-E288 HydrophobicContact CG-CB 4.19Å
88	G	95.2	Very high	95	Very high	7 Å²	7	41.1 Å²	41.1	7%	0.072	20%	0.201	C	C	.	.			trans	-85.7	-172.6	170.4	0	0	0	0	0	112.9	E288 Y289	G88-E288 PolarHBondContact N-O 3.16Å; G88-Y289 VanDerWaalsContact O-CD2 3.29Å; G88-Y289 WeakPolarHBondContact O-CD2 3.28Å
89	T	94.5	Very high	94.6	Very high	49 Å²	49	43 Å²	43	30%	0.301	21%	0.208	S	C	.	.			trans	-124.8	169.8	170.6	60.9	0	0	0	0	110	P66 D91 R92 R93	P66-T89 HydrophobicContact CB-CG2 4.19Å; P66-T89 HydrophobicContact CG-CG2 4.07Å; T89-D91 VanDerWaalsContact C-N 3.26Å; T89-D91 VanDerWaalsContact CB-OD1 3.23Å; T89-D91 WeakPolarHBondContact CB-OD1 3.42Å; T89-D91 PolarHBondContact O-N 2.81Å; T89-D91 PolarHBondContact OG1-OD1 3.08Å; T89-R92 PolarHBondContact N-O 3.16Å; T89-R92 VanDerWaalsContact N-O 3.08Å; T89-R92 CarbonylContact O-C 3.45Å; T89-R92 VanDerWaalsContact O-C 3.25Å; T89-R92 PolarHBondContact O-N 2.78Å; T89-R92 WeakPolarHBondContact OG1-CB 3.42Å; T89-R92 PolarHBondContact OG1-N 3.31Å; T89-R93 PolarHBondContact O-N 2.71Å
90	S	92	Very high	93.7	Very high	89 Å²	89	42.1 Å²	42.1	62%	0.622	21%	0.209	S	C	*	.	S	Bend	trans	-60.9	-33.6	179	54.2	0	0	0	0	113.4
91	D	92.9	Very high	92.1	Very high	117 Å²	117	45.5 Å²	45.5	63%	0.626	24%	0.238	S	C	*	.	S	Bend	trans	-86.7	-25	177.2	63.1	-52.3	0	0	0	113.2	T89	T89-D91 VanDerWaalsContact C-N 3.26Å; T89-D91 VanDerWaalsContact CB-OD1 3.23Å; T89-D91 WeakPolarHBondContact CB-OD1 3.42Å; T89-D91 PolarHBondContact O-N 2.81Å; T89-D91 PolarHBondContact OG1-OD1 3.08Å
92	R	94	Very high	90.1	Very high	135 Å²	135	44.6 Å²	44.6	51%	0.509	24%	0.243	S	C	.	.	S	Bend	trans	-132.1	75.7	-177.1	-62.6	175.6	-170.5	-162.8	-2	110.4	P66 G67 T89	P66-R92 CarbonylContact C-O 3.58Å; P66-R92 WeakPolarHBondContact CA-O 3.4Å; P66-R92 HydrophobicContact CB-CB 3.85Å; P66-R92 WeakPolarHBondContact CB-O 3.46Å; G67-R92 PolarHBondContact N-O 3.05Å; T89-R92 PolarHBondContact N-O 3.16Å; T89-R92 VanDerWaalsContact N-O 3.08Å; T89-R92 CarbonylContact O-C 3.45Å; T89-R92 VanDerWaalsContact O-C 3.25Å; T89-R92 PolarHBondContact O-N 2.78Å; T89-R92 WeakPolarHBondContact OG1-CB 3.42Å; T89-R92 PolarHBondContact OG1-N 3.31Å
93	R	96.3	Very high	88.3	Confident	67 Å²	67	47.8 Å²	47.8	25%	0.253	26%	0.261	S	S	.	.			trans	-71.9	145.4	177.1	-59	-178	66.8	79.7	7.1	111	G67 T89 Y289 V290 D291 N318	G67-R93 WeakPolarHBondContact CA-O 3.46Å; T89-R93 PolarHBondContact O-N 2.71Å; R93-Y289 WeakPolarHBondContact CA-O 3.17Å; R93-V290 PolarHBondContact NH2-O 3Å; R93-D291 IonicContact CZ-OD1 2.79Å; R93-D291 VanDerWaalsContact NE-CG 3.32Å; R93-D291 IonicContact NE-OD1 3.9Å; R93-D291 PolarHBondContact NE-OD1 2.98Å; R93-D291 IonicContact NE-OD2 3.1Å; R93-D291 PolarHBondContact NE-OD2 3.11Å; R93-D291 VanDerWaalsContact NE-OD2 3.14Å; R93-D291 IonicContact NH2-OD1 2.78Å; R93-D291 PolarHBondContact NH2-OD1 2.8Å; R93-N318 PolarHBondContact NH1-O 3.34Å; R93-N318 PolarHBondContact NH2-O 2.91Å
94	I	97.7	Very high	86.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.5	172.1	-64.6	165.9	0	0	0	108	I64 D65 V68 I70 A86 F96 Y289 V290 D291	I64-I94 HydrophobicContact CB-CD1 4.01Å; I64-I94 HydrophobicContact CG2-CD1 3.78Å; I64-I94 HydrophobicContact CG2-CG1 4.12Å; I64-I94 HydrophobicContact CG2-CG2 3.93Å; D65-I94 WeakPolarHBondContact O-CG1 3.17Å; V68-I94 WeakPolarHBondContact O-CA 3.36Å; I70-I94 HydrophobicContact CD1-CG2 3.63Å; A86-I94 HydrophobicContact CB-CD1 3.99Å; I94-F96 HydrophobicContact CG2-CD2 4.32Å; I94-F96 HydrophobicContact CG2-CE2 3.76Å; I94-F96 HydrophobicContact CG2-CZ 4.27Å; I94-Y289 PolarHBondContact N-O 2.89Å; I94-V290 HydrophobicContact CB-CG2 4.16Å; I94-V290 CarbonylContact O-C 3.5Å; I94-V290 WeakPolarHBondContact O-CA 3.1Å; I94-D291 PolarHBondContact O-N 3.06Å
95	V	96.9	Very high	83.5	Confident	17 Å²	17	62.2 Å²	62.2	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120	-175.1	-176.8	0	0	0	0	110.6	V68 R69 I70 T97 D291	V68-V95 PolarHBondContact O-N 3.13Å; R69-V95 HydrophobicContact CG-CB 4.11Å; R69-V95 HydrophobicContact CG-CG2 4.47Å; I70-V95 PolarHBondContact N-O 2.6Å; V95-T97 HydrophobicContact CG1-CG2 4.27Å; V95-D291 HydrophobicContact CG1-CB 4.34Å; V95-D291 HydrophobicContact CG2-CB 4.22Å
96	F	97.5	Very high	80.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.7	166.7	-62.7	-92.3	0	0	0	108.9	I64 I70 I72 I78 I94 W252 I255 F287 V290 D291 I292 Q293	I64-F96 HydrophobicContact CD1-CE1 4.29Å; I64-F96 HydrophobicContact CD1-CZ 3.7Å; I70-F96 HydrophobicContact CB-CD1 3.83Å; I70-F96 HydrophobicContact CB-CE1 4.18Å; I70-F96 HydrophobicContact CD1-CD1 4Å; I70-F96 HydrophobicContact CD1-CD2 4.49Å; I70-F96 HydrophobicContact CD1-CE1 3.8Å; I70-F96 HydrophobicContact CD1-CE2 4.31Å; I70-F96 HydrophobicContact CD1-CG 4.35Å; I70-F96 HydrophobicContact CD1-CZ 3.97Å; I70-F96 HydrophobicContact CG1-CD1 4.04Å; I70-F96 HydrophobicContact CG1-CE1 3.88Å; I70-F96 HydrophobicContact CG2-CD1 4.13Å; I70-F96 HydrophobicContact CG2-CE1 4.41Å; I72-F96 HydrophobicContact CD1-CD1 4.3Å; I78-F96 HydrophobicContact CD1-CD1 3.71Å; I78-F96 HydrophobicContact CD1-CE1 3.6Å; I94-F96 HydrophobicContact CG2-CD2 4.32Å; I94-F96 HydrophobicContact CG2-CE2 3.76Å; I94-F96 HydrophobicContact CG2-CZ 4.27Å; F96-W252 HydrophobicContact CB-CH2 4.03Å; F96-W252 HydrophobicContact CB-CZ2 3.86Å; F96-I255 HydrophobicContact CD1-CD1 4.25Å; F96-I255 HydrophobicContact CD2-CD1 4.33Å; F96-I255 HydrophobicContact CE1-CD1 4.31Å; F96-I255 HydrophobicContact CE2-CD1 4.38Å; F96-I255 HydrophobicContact CG-CD1 4.26Å; F96-I255 HydrophobicContact CZ-CD1 4.36Å; F96-F287 HydrophobicContact CE2-CE1 4.4Å; F96-V290 HydrophobicContact CD2-CG1 3.59Å; F96-V290 HydrophobicContact CE2-CG1 3.59Å; F96-D291 PolarHBondContact N-O 2.82Å; F96-I292 HydrophobicContact CB-CG1 4.46Å; F96-I292 HydrophobicContact CD2-CG1 4.26Å; F96-Q293 PolarHBondContact O-N 2.88Å
97	T	95.3	Very high	77.7	Confident	21 Å²	21	70.8 Å²	70.8	13%	0.129	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	170.1	-177.7	-170.8	0	0	0	0	111.3	I70 L71 I72 V95 F294	I70-T97 PolarHBondContact O-N 3.28Å; L71-T97 WeakPolarHBondContact CA-O 3.39Å; L71-T97 HydrophobicContact CD2-CG2 3.43Å; L71-T97 VanDerWaalsContact CD2-CG2 3.43Å; I72-T97 PolarHBondContact N-O 2.86Å; V95-T97 HydrophobicContact CG1-CG2 4.27Å; T97-F294 WeakPolarHBondContact OG1-CD2 3.48Å
98	K	92.4	Very high	75.3	Confident	53 Å²	53	72.2 Å²	72.2	23%	0.23	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	151.2	178.1	65.9	174.2	-172.4	176.3	0	112.1	I72 I249 G250 F294	I72-K98 CarbonylContact O-C 3.55Å; I72-K98 WeakPolarHBondContact O-CA 3.37Å; K98-I249 PolarHBondContact NZ-O 3.38Å; K98-G250 VanDerWaalsContact CB-O 3.26Å; K98-G250 WeakPolarHBondContact CB-O 3.33Å; K98-F294 HydrophobicContact CB-CB 4.17Å; K98-F294 HydrophobicContact CD-CB 3.88Å; K98-F294 HydrophobicContact CD-CG 4.22Å; K98-F294 HydrophobicContact CG-CB 3.86Å; K98-F294 HydrophobicContact CG-CD2 4.3Å; K98-F294 HydrophobicContact CG-CG 4.21Å
99	W	87.6	Confident	72.3	Confident	38 Å²	38	80.3 Å²	80.3	14%	0.144	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-80.9	122.7	168.5	175	-88.3	0	0	0	110.3	I48 I50 L71 I72 K104	I48-W99 HydrophobicContact CB-CE3 4.25Å; I48-W99 HydrophobicContact CB-CZ3 4.01Å; I48-W99 HydrophobicContact CD1-CE3 4.25Å; I48-W99 HydrophobicContact CD1-CH2 3.62Å; I48-W99 HydrophobicContact CD1-CZ3 3.24Å; I48-W99 HydrophobicContact CG1-CE3 3.91Å; I48-W99 HydrophobicContact CG1-CH2 4.2Å; I48-W99 HydrophobicContact CG1-CZ3 3.36Å; I48-W99 HydrophobicContact CG2-CD2 4.03Å; I48-W99 HydrophobicContact CG2-CE3 3.39Å; I48-W99 HydrophobicContact CG2-CH2 3.97Å; I48-W99 HydrophobicContact CG2-CZ3 3.42Å; I48-W99 VanDerWaalsContact CG2-CZ3 3.42Å; I50-W99 HydrophobicContact CG2-CD2 3.91Å; I50-W99 HydrophobicContact CG2-CE3 4.47Å; I50-W99 HydrophobicContact CG2-CG 3.94Å; L71-W99 HydrophobicContact CB-CB 4.31Å; L71-W99 HydrophobicContact CB-CE3 3.65Å; L71-W99 HydrophobicContact CB-CZ3 4.43Å; L71-W99 HydrophobicContact CD1-CE3 3.66Å; L71-W99 HydrophobicContact CD1-CZ3 3.79Å; L71-W99 HydrophobicContact CG-CE3 4.31Å; I72-W99 PolarHBondContact O-N 3.23Å; W99-K104 HydrophobicContact CZ2-CG 4.49Å
100	S	75.5	Confident	69.2	Low	38 Å²	38	81.4 Å²	81.4	27%	0.266	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-101.8	143.8	175.7	-167.8	0	0	0	0	111.5	S102 D103	S100-S102 PolarHBondContact O-N 3.3Å; S100-S102 PolarHBondContact OG-OG 3.42Å; S100-D103 WeakPolarHBondContact CB-OD2 3.4Å; S100-D103 PolarHBondContact N-OD2 3.47Å; S100-D103 VanDerWaalsContact O-CB 3.29Å; S100-D103 WeakPolarHBondContact O-CB 3.47Å; S100-D103 PolarHBondContact O-N 2.73Å
101	A	62.1	Low	66.2	Low	73 Å²	73	84.2 Å²	84.2	60%	0.603	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-64.2	-24.7	174	0	0	0	0	0	112.6	D103 K104	A101-D103 PolarHBondContact O-N 3.27Å; A101-K104 WeakPolarHBondContact O-CB 3.41Å; A101-K104 PolarHBondContact O-N 3.06Å; A101-K104 VanDerWaalsContact O-N 3.14Å
102	S	53.5	Low	63.3	Low	77 Å²	77	89.8 Å²	89.8	54%	0.538	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-58.5	-28.4	171.4	-7.1	0	0	0	0	112.6	S100 K104 H105	S100-S102 PolarHBondContact O-N 3.3Å; S100-S102 PolarHBondContact OG-OG 3.42Å; S102-K104 PolarHBondContact O-N 2.87Å; S102-K104 VanDerWaalsContact O-N 3.15Å; S102-H105 PolarHBondContact O-N 3.05Å
103	D	53.7	Low	60.1	Low	68 Å²	68	88.9 Å²	88.9	36%	0.364	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-68.6	-12.8	-179.9	-58.5	-39.9	0	0	0	112.2	S100 A101	S100-D103 WeakPolarHBondContact CB-OD2 3.4Å; S100-D103 PolarHBondContact N-OD2 3.47Å; S100-D103 VanDerWaalsContact O-CB 3.29Å; S100-D103 WeakPolarHBondContact O-CB 3.47Å; S100-D103 PolarHBondContact O-N 2.73Å; A101-D103 PolarHBondContact O-N 3.27Å
104	K	48.9	Very low	57	Low	158 Å²	158	92 Å²	92	69%	0.687	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-75.4	-21.7	171.9	-74.6	-173.6	172.1	-176.5	0	113.7	W99 A101 S102	W99-K104 HydrophobicContact CZ2-CG 4.49Å; A101-K104 WeakPolarHBondContact O-CB 3.41Å; A101-K104 PolarHBondContact O-N 3.06Å; A101-K104 VanDerWaalsContact O-N 3.14Å; S102-K104 PolarHBondContact O-N 2.87Å; S102-K104 VanDerWaalsContact O-N 3.15Å
105	H	41.5	Very low	53.9	Low	161 Å²	161	98.9 Å²	98.9	75%	0.745	55%	0.545	S	S	*	.			trans	-107.8	5.9	-166.4	-85.2	-65	0	0	0	116.1	S102 S107	S102-H105 PolarHBondContact O-N 3.05Å; H105-S107 PolarHBondContact O-N 3.3Å
106	N	34.5	Very low	50.7	Low	129 Å²	129	103.5 Å²	103.5	69%	0.69	57%	0.573	S	S	*	*			trans	-78.6	70.6	167.2	-72.3	-11	0	0	0	110.4
107	S	35.1	Very low	47.6	Very low	94 Å²	94	109.6 Å²	109.6	66%	0.657	60%	0.603	S	S	*	*			trans	-72.2	142.8	162	88.9	0	0	0	0	109.3	H105 L109	H105-S107 PolarHBondContact O-N 3.3Å; S107-L109 PolarHBondContact O-N 3.3Å
108	P	43.9	Very low	44.6	Very low	125 Å²	125	115.1 Å²	115.1	81%	0.812	63%	0.631	S	S	*	*	S	Bend	trans	-86	74.6	-161.9	34.6	-34.6	0	0	0	111.8
109	L	33.3	Very low	41.6	Very low	177 Å²	177	117 Å²	117	93%	0.927	64%	0.642	S	S	*	*	S	Bend	trans	-177.9	81.3	159.8	-103.1	137.3	0	0	0	109.4	S107	S107-L109 PolarHBondContact O-N 3.3Å
110	G	28.2	Very low	39.1	Very low	72 Å²	72	119.8 Å²	119.8	74%	0.742	67%	0.665	S	S	*	*	S	Bend	trans	177.9	84.1	177.8	0	0	0	0	0	110.9
111	N	29.2	Very low	36.8	Very low	149 Å²	149	128.5 Å²	128.5	80%	0.797	69%	0.693	S	S	*	*			trans	19.1	112.5	165.3	-66.3	-18.5	0	0	0	116.6	V113	N111-V113 PolarHBondContact O-N 3.35Å
112	Y	31.4	Very low	35.4	Very low	233 Å²	233	130.7 Å²	130.7	91%	0.914	69%	0.693	S	S	*	*			trans	-47.1	76.4	148.9	-93.9	-104.3	0	0	0	109.4	N114	Y112-N114 PolarHBondContact O-N 3.2Å
113	V	28.7	Very low	34.2	Very low	117 Å²	117	130.7 Å²	130.7	71%	0.709	69%	0.687	S	S	*	*			trans	-62.2	123	146.3	-171.4	0	0	0	0	102.2	N111 E115	N111-V113 PolarHBondContact O-N 3.35Å; V113-E115 PolarHBondContact O-N 2.99Å
114	N	29.7	Very low	33.2	Very low	131 Å²	131	133 Å²	133	70%	0.701	70%	0.703	S	S	*	*			trans	-47.1	90.5	170.8	-67.7	-39.6	0	0	0	108	Y112 T116	Y112-N114 PolarHBondContact O-N 3.2Å; N114-T116 PolarHBondContact O-N 2.93Å; N114-T116 PolarHBondContact O-OG1 3.24Å
115	E	33.4	Very low	32.3	Very low	146 Å²	146	134.9 Å²	134.9	68%	0.682	71%	0.712	S	S	*	*			trans	-68.6	70.4	155.1	-74.1	-172.4	162.5	0	0	103.9	V113 M117	V113-E115 PolarHBondContact O-N 2.99Å; E115-M117 PolarHBondContact O-N 3.26Å
116	T	29.3	Very low	31.9	Very low	114 Å²	114	131.4 Å²	131.4	70%	0.699	70%	0.702	S	S	*	*			trans	-38.8	105.4	134	48.3	0	0	0	0	104.2	N114 I118	N114-T116 PolarHBondContact O-N 2.93Å; N114-T116 PolarHBondContact O-OG1 3.24Å; T116-I118 PolarHBondContact O-N 3.44Å
117	M	33.5	Very low	31.9	Very low	128 Å²	128	130.2 Å²	130.2	63%	0.631	70%	0.696	S	S	*	*			trans	-27.1	114.1	171.1	-70	169.9	73.4	0	0	106.5	E115 L119	E115-M117 PolarHBondContact O-N 3.26Å; M117-L119 PolarHBondContact O-N 3.42Å
118	I	31.3	Very low	31.9	Very low	137 Å²	137	130.9 Å²	130.9	70%	0.703	69%	0.688	S	S	*	*			trans	-65.6	79.4	171.1	-58	171.7	0	0	0	103.9	T116	T116-I118 PolarHBondContact O-N 3.44Å
119	L	30.2	Very low	32	Very low	92 Å²	92	128 Å²	128	48%	0.482	67%	0.67	S	S	.	*			trans	-42.4	129.4	148.1	-70.8	167.5	0	0	0	103.4	M117 R121 Y323	M117-L119 PolarHBondContact O-N 3.42Å; L119-R121 PolarHBondContact O-N 3.15Å; L119-Y323 HydrophobicContact CD2-CE1 4.31Å; L119-Y323 WeakPolarHBondContact CD2-OH 3.49Å
120	P	34.3	Very low	32.8	Very low	96 Å²	96	123.2 Å²	123.2	62%	0.623	64%	0.64	S	S	*	*			trans	-46.1	118.8	174.6	19.4	-30	0	0	0	106.1	I122	P120-I122 VanDerWaalsContact C-N 3.33Å; P120-I122 PolarHBondContact O-N 2.61Å
121	R	28.2	Very low	34.5	Very low	222 Å²	222	121.6 Å²	121.6	84%	0.838	61%	0.613	S	S	*	*			trans	-44.9	103.8	-174.9	-82.1	-179.6	178.2	175.9	-0.8	106.7	L119 N123	L119-R121 PolarHBondContact O-N 3.15Å; R121-N123 PolarHBondContact O-N 2.86Å
122	I	32	Very low	36.9	Very low	118 Å²	118	119.2 Å²	119.2	61%	0.605	60%	0.596	S	S	*	*			trans	-70.5	96.6	163.8	-59.5	172.8	0	0	0	101.1	P120 T124	P120-I122 VanDerWaalsContact C-N 3.33Å; P120-I122 PolarHBondContact O-N 2.61Å; I122-T124 PolarHBondContact O-N 3.1Å
123	N	27.4	Very low	39.6	Very low	78 Å²	78	109 Å²	109	42%	0.417	56%	0.557	S	S	.	*			trans	-55.9	97.6	170.1	-78.1	-24	0	0	0	106.3	R121 F125 T126 D127	R121-N123 PolarHBondContact O-N 2.86Å; N123-F125 PolarHBondContact O-N 3.25Å; N123-T126 PolarHBondContact O-N 3.01Å; N123-D127 PolarHBondContact O-N 3.15Å
124	T	32.8	Very low	42.6	Very low	116 Å²	116	104.1 Å²	104.1	71%	0.712	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	6.5	-179	47.1	0	0	0	0	113	I122	I122-T124 PolarHBondContact O-N 3.1Å
125	F	31	Very low	45.5	Very low	197 Å²	197	98.3 Å²	98.3	86%	0.864	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-1.5	175	-79.3	-82.4	0	0	0	114.9	N123	N123-F125 PolarHBondContact O-N 3.25Å
126	T	31.7	Very low	48.2	Very low	89 Å²	89	91.4 Å²	91.4	55%	0.546	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	10	170.8	56.5	0	0	0	0	114.3	N123 Q128	N123-T126 PolarHBondContact O-N 3.01Å; T126-Q128 PolarHBondContact O-N 3.21Å
127	D	35.6	Very low	50.8	Low	104 Å²	104	91.1 Å²	91.1	56%	0.556	46%	0.457	S	S	*	.			trans	-71.7	57.1	162.7	-139.4	10.1	0	0	0	109	N123 P129	N123-D127 PolarHBondContact O-N 3.15Å; D127-P129 WeakPolarHBondContact O-CD 3.41Å; D127-P129 VanDerWaalsContact O-N 3.12Å
128	Q	35.7	Very low	53.1	Low	107 Å²	107	86.7 Å²	86.7	50%	0.5	44%	0.443	S	S	.	.			trans	-60.8	107.5	158.7	-75.9	-75.4	-28.4	0	0	103.6	T126 Y130	T126-Q128 PolarHBondContact O-N 3.21Å; Q128-Y130 HydrophobicContact CB-CD2 3.95Å; Q128-Y130 PolarHBondContact O-N 3.19Å
129	P	44.6	Very low	55.6	Low	66 Å²	66	89.3 Å²	89.3	43%	0.429	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	4	-176.4	26.9	-35	0	0	0	113	D127 W149	D127-P129 WeakPolarHBondContact O-CD 3.41Å; D127-P129 VanDerWaalsContact O-N 3.12Å; P129-W149 PolarHBondContact O-NE1 3.47Å; P129-W149 VanDerWaalsContact O-NE1 3.15Å
130	Y	50.5	Low	58.3	Low	75 Å²	75	87.5 Å²	87.5	29%	0.294	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.6	-170.7	-54.1	-71.4	0	0	0	115.2	Q128 Y1185	Q128-Y130 HydrophobicContact CB-CD2 3.95Å; Q128-Y130 PolarHBondContact O-N 3.19Å; Y130-Y1185 WeakPolarHBondContact CB-OH 3.39Å; Y130-Y1185 HydrophobicContact CG-CE2 4.49Å
131	H	64	Low	61	Low	39 Å²	39	83.6 Å²	83.6	18%	0.181	42%	0.418	C	S	.	.			trans	-114.9	64.9	-173.2	-62.2	-42.1	0	0	0	113.5	L211 F214	H131-L211 HydrophobicContact CB-CD2 4.48Å; H131-F214 VanDerWaalsContact CA-CE2 3.45Å; H131-F214 HydrophobicContact CB-CB 4.48Å; H131-F214 HydrophobicContact CB-CD1 4.45Å; H131-F214 HydrophobicContact CB-CD2 3.6Å; H131-F214 HydrophobicContact CB-CE2 3.83Å; H131-F214 HydrophobicContact CB-CG 3.94Å; H131-F214 HydrophobicContact CB-CZ 4.33Å; H131-F214 AromaticContact CG-CG 3.86Å; H131-F214 AromaticContact ND1-CD1 3.25Å; H131-F214 WeakPolarHBondContact ND1-CD1 3.48Å; H131-F214 AromaticContact ND1-CE1 3.63Å; H131-F214 AromaticContact ND1-CG 3.45Å; H131-F214 WeakPolarHBondContact ND1-CG 3.46Å
132	K	79.8	Confident	64	Low	98 Å²	98	75 Å²	75	43%	0.426	39%	0.389	S	S	.	.			trans	-120.4	143.5	178.5	-63.6	-176.2	179	-179.5	0	111.8	W149 W154	K132-W149 HydrophobicContact CB-CB 3.96Å; K132-W149 PolarHBondContact O-N 3.3Å; K132-W154 HydrophobicContact CB-CH2 3.89Å
133	I	88.5	Confident	66.8	Low	18 Å²	18	72.1 Å²	72.1	9%	0.092	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.2	171.4	66.3	170.8	0	0	0	110.5	L146 Q147 I148 A172 Q175 L176 L213 F214	I133-L146 HydrophobicContact CB-CD1 4.18Å; I133-L146 HydrophobicContact CD1-CD1 4.33Å; I133-Q147 CarbonylContact C-O 3.25Å; I133-Q147 VanDerWaalsContact CA-O 3.27Å; I133-Q147 WeakPolarHBondContact CA-O 3.44Å; I133-I148 HydrophobicContact CG2-CB 4.24Å; I133-I148 HydrophobicContact CG2-CG2 3.73Å; I133-A172 HydrophobicContact CD1-CB 4.18Å; I133-A172 WeakPolarHBondContact CD1-O 3.38Å; I133-Q175 HydrophobicContact CD1-CB 4.03Å; I133-Q175 HydrophobicContact CD1-CG 4.09Å; I133-Q175 HydrophobicContact CG1-CG 4.11Å; I133-L176 HydrophobicContact CD1-CD1 4.3Å; I133-L176 HydrophobicContact CD1-CD2 4.31Å; I133-L176 HydrophobicContact CD1-CG 3.89Å; I133-L176 HydrophobicContact CG1-CD2 3.88Å; I133-L176 HydrophobicContact CG1-CG 4.02Å; I133-L213 HydrophobicContact CG2-CD2 4.45Å; I133-F214 HydrophobicContact CG2-CE2 3.76Å; I133-F214 HydrophobicContact CG2-CZ 4.17Å
134	R	90.5	Very high	69.8	Low	15 Å²	15	68.7 Å²	68.7	6%	0.057	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163.9	176	70.8	177.5	-176.8	-168.5	-6.6	112.2	V136 Q147 W154 S571 Q595	R134-V136 HydrophobicContact CG-CG1 4.02Å; R134-Q147 HydrophobicContact CG-CB 3.96Å; R134-Q147 VanDerWaalsContact CZ-OE1 3.28Å; R134-Q147 PolarHBondContact N-O 2.8Å; R134-Q147 PolarHBondContact O-N 3.09Å; R134-W154 HydrophobicContact CB-CH2 4.02Å; R134-W154 HydrophobicContact CB-CZ3 4.02Å; R134-W154 HydrophobicContact CG-CD2 4.33Å; R134-W154 HydrophobicContact CG-CE3 3.77Å; R134-W154 HydrophobicContact CG-CH2 3.88Å; R134-W154 HydrophobicContact CG-CZ2 4.42Å; R134-W154 HydrophobicContact CG-CZ3 3.54Å; R134-W154 VanDerWaalsContact CZ-CD1 3.42Å; R134-W154 VanDerWaalsContact CZ-CD2 3.44Å; R134-W154 VanDerWaalsContact NH2-CB 3.29Å; R134-W154 VanDerWaalsContact NH2-CD1 3.26Å; R134-S571 PolarHBondContact NH1-O 3.39Å; R134-Q595 VanDerWaalsContact NH1-C 3.28Å; R134-Q595 PolarHBondContact NH1-O 2.88Å; R134-Q595 PolarHBondContact NH2-O 2.84Å; R134-Q595 VanDerWaalsContact NH2-O 3.14Å
135	L	91	Very high	72.5	Confident	9 Å²	9	63.7 Å²	63.7	5%	0.047	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.3	168.1	-57.7	179.4	0	0	0	110.4	E145 L146 L176 L238 Q572	L135-E145 WeakPolarHBondContact CA-O 3.48Å; L135-L146 HydrophobicContact CD2-CB 4.37Å; L135-L146 HydrophobicContact CD2-CD1 4.2Å; L135-L176 HydrophobicContact CD1-CD1 3.88Å; L135-L176 HydrophobicContact CD2-CD1 3.98Å; L135-L176 HydrophobicContact CG-CD1 3.66Å; L135-L238 HydrophobicContact CD1-CB 4.38Å; L135-L238 HydrophobicContact CD2-CB 3.78Å; L135-L238 HydrophobicContact CD2-CD1 4.14Å; L135-L238 HydrophobicContact CD2-CG 4.2Å; L135-Q572 PolarHBondContact O-NE2 3.04Å
136	V	89.8	Confident	75.4	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	174.9	177.8	-59.7	0	0	0	0	110.9	R134 G138 G144 E145 Q147 Y596	R134-V136 HydrophobicContact CG-CG1 4.02Å; V136-G138 PolarHBondContact O-N 3.25Å; V136-G144 CarbonylContact O-C 3.53Å; V136-G144 WeakPolarHBondContact O-CA 3.12Å; V136-E145 HydrophobicContact CG2-CB 4.03Å; V136-E145 HydrophobicContact CG2-CG 4.48Å; V136-E145 PolarHBondContact N-O 3.44Å; V136-E145 PolarHBondContact O-N 2.78Å; V136-Q147 VanDerWaalsContact CG2-CD 3.48Å; V136-Q147 HydrophobicContact CG2-CG 3.86Å; V136-Y596 HydrophobicContact CB-CD1 4.49Å; V136-Y596 HydrophobicContact CB-CD2 4.05Å; V136-Y596 HydrophobicContact CB-CE1 4.05Å; V136-Y596 HydrophobicContact CB-CE2 3.55Å; V136-Y596 HydrophobicContact CB-CG 4.48Å; V136-Y596 HydrophobicContact CG1-CD1 4.38Å; V136-Y596 HydrophobicContact CG1-CD2 3.68Å; V136-Y596 HydrophobicContact CG1-CE1 4.42Å; V136-Y596 HydrophobicContact CG1-CE2 3.73Å; V136-Y596 HydrophobicContact CG1-CG 4.01Å; V136-Y596 HydrophobicContact CG2-CD2 4.37Å; V136-Y596 HydrophobicContact CG2-CE2 3.6Å
137	N	83.9	Confident	78.2	Confident	109 Å²	109	50.8 Å²	50.8	58%	0.583	26%	0.26	S	S	*	.	S	Bend	trans	56.6	9.6	178	-82.4	-31.8	0	0	0	117	E145 Y596	N137-E145 HydrophobicContact CB-CB 4.34Å; N137-E145 PolarHBondContact ND2-OE2 2.92Å; N137-Y596 PolarHBondContact ND2-OH 2.96Å; N137-Y596 PolarHBondContact OD1-OH 3.2Å
138	G	83.6	Confident	80.7	Confident	34 Å²	34	45.9 Å²	45.9	35%	0.351	23%	0.234	S	C	.	.	S	Bend	trans	-90.9	160.3	177.1	0	0	0	0	0	114.2	V136 C140 Q143	V136-G138 PolarHBondContact O-N 3.25Å; G138-C140 PolarHBondContact O-N 2.89Å; G138-Q143 VanDerWaalsContact CA-O 3.31Å; G138-Q143 WeakPolarHBondContact CA-O 3.34Å
139	K	82.6	Confident	82.9	Confident	193 Å²	193	43.1 Å²	43.1	84%	0.839	22%	0.219	S	C	*	.	S	Bend	trans	-66.8	-22.6	175	-56.7	175.1	179.6	173	0	112.8
140	C	87.2	Confident	84.3	Confident	53 Å²	53	40.7 Å²	40.7	36%	0.358	20%	0.202	S	C	.	.	S	Bend	trans	-141.3	159	179.8	-62	0	0	0	0	108.8	G138 N142 Q143	G138-C140 PolarHBondContact O-N 2.89Å; C140-N142 WeakPolarHBondContact CB-OD1 3.09Å; C140-N142 PolarHBondContact O-N 2.88Å; C140-Q143 HydrophobicContact CB-CG 4.25Å; C140-Q143 PolarHBondContact O-N 2.95Å
141	I	90	Very high	85.1	Confident	14 Å²	14	37.6 Å²	37.6	7%	0.072	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.2	-177.1	-161.1	178.3	0	0	0	114.4	Q143 H326	I141-Q143 VanDerWaalsContact C-N 3.31Å; I141-H326 WeakPolarHBondContact CG2-CE1 3.48Å
142	N	91.5	Very high	85.3	Confident	42 Å²	42	39.2 Å²	39.2	23%	0.225	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.6	-179.1	70.9	-52.7	0	0	0	113.8	C140 Y178 C240	C140-N142 WeakPolarHBondContact CB-OD1 3.09Å; C140-N142 PolarHBondContact O-N 2.88Å; N142-Y178 WeakPolarHBondContact CA-OH 2.95Å; N142-Y178 HydrophobicContact CB-CD1 4.37Å; N142-Y178 HydrophobicContact CB-CE1 3.49Å; N142-Y178 VanDerWaalsContact CB-CE1 3.49Å; N142-Y178 HydrophobicContact CB-CE2 4.37Å; N142-Y178 WeakPolarHBondContact CB-OH 3.43Å; N142-C240 WeakPolarHBondContact CB-O 3.14Å; N142-C240 PolarHBondContact ND2-O 3.08Å; N142-C240 PolarHBondContact O-N 3.05Å
143	Q	91.5	Very high	85.1	Confident	58 Å²	58	37.4 Å²	37.4	27%	0.271	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154.9	176.4	65	-175.4	-24.3	0	0	109.7	G138 C140 I141 L238 N239	G138-Q143 VanDerWaalsContact CA-O 3.31Å; G138-Q143 WeakPolarHBondContact CA-O 3.34Å; C140-Q143 HydrophobicContact CB-CG 4.25Å; C140-Q143 PolarHBondContact O-N 2.95Å; I141-Q143 VanDerWaalsContact C-N 3.31Å; Q143-L238 CarbonylContact C-O 3.56Å; Q143-L238 WeakPolarHBondContact CA-O 3.44Å; Q143-N239 HydrophobicContact CB-CB 4.38Å
144	G	90.5	Very high	84.9	Confident	6 Å²	6	37.4 Å²	37.4	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.8	-173.3	175.6	0	0	0	0	0	112.9	V136 N237 L238	V136-G144 CarbonylContact O-C 3.53Å; V136-G144 WeakPolarHBondContact O-CA 3.12Å; G144-N237 CarbonylContact O-C 3.53Å; G144-N237 WeakPolarHBondContact O-CA 2.87Å; G144-L238 PolarHBondContact N-O 3.01Å; G144-L238 PolarHBondContact O-N 2.86Å
145	E	90.1	Very high	84.5	Confident	11 Å²	11	36.7 Å²	36.7	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	126	177.3	-175.9	-164.6	133.2	0	0	110.5	L135 V136 N137 Q147 S156 L235 N237	L135-E145 WeakPolarHBondContact CA-O 3.48Å; V136-E145 HydrophobicContact CG2-CB 4.03Å; V136-E145 HydrophobicContact CG2-CG 4.48Å; V136-E145 PolarHBondContact N-O 3.44Å; V136-E145 PolarHBondContact O-N 2.78Å; N137-E145 HydrophobicContact CB-CB 4.34Å; N137-E145 PolarHBondContact ND2-OE2 2.92Å; E145-Q147 PolarHBondContact OE1-NE2 3.3Å; E145-S156 WeakPolarHBondContact OE1-CB 3.45Å; E145-S156 PolarHBondContact OE1-OG 3.28Å; E145-L235 HydrophobicContact CG-CB 4.44Å; E145-L235 HydrophobicContact CG-CD1 4.21Å; E145-N237 WeakPolarHBondContact CA-OD1 3.4Å; E145-N237 PolarHBondContact N-OD1 3.29Å
146	L	91.1	Very high	84.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.9	175	179.1	63.3	0	0	0	109.7	I133 L135 V157 W164 L213 V236 L238	I133-L146 HydrophobicContact CB-CD1 4.18Å; I133-L146 HydrophobicContact CD1-CD1 4.33Å; L135-L146 HydrophobicContact CD2-CB 4.37Å; L135-L146 HydrophobicContact CD2-CD1 4.2Å; L146-V157 HydrophobicContact CB-CB 4.46Å; L146-V157 HydrophobicContact CB-CG2 4.4Å; L146-V157 HydrophobicContact CD2-CB 4.35Å; L146-V157 HydrophobicContact CD2-CG2 4.02Å; L146-V157 HydrophobicContact CG-CB 4.4Å; L146-V157 HydrophobicContact CG-CG2 3.9Å; L146-V157 WeakPolarHBondContact O-CG2 3.22Å; L146-V157 PolarHBondContact O-N 3.34Å; L146-W164 HydrophobicContact CD2-CH2 3.47Å; L146-W164 VanDerWaalsContact CD2-CH2 3.47Å; L146-W164 HydrophobicContact CD2-CZ2 4.44Å; L146-W164 HydrophobicContact CD2-CZ3 3.88Å; L146-L213 HydrophobicContact CD2-CD2 4.32Å; L146-V236 WeakPolarHBondContact CB-O 3.34Å; L146-V236 HydrophobicContact CD2-CG1 4.45Å; L146-V236 PolarHBondContact N-O 3.1Å; L146-L238 HydrophobicContact CB-CD1 4.49Å; L146-L238 HydrophobicContact CB-CG 4.32Å; L146-L238 HydrophobicContact CD1-CD1 3.96Å; L146-L238 HydrophobicContact CD2-CD1 4.12Å; L146-L238 HydrophobicContact CD2-CG 4.45Å; L146-L238 HydrophobicContact CG-CD1 4.42Å
147	Q	90.2	Very high	84.2	Confident	15 Å²	15	36.6 Å²	36.6	7%	0.07	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.8	170	-63.8	-171.2	-18.8	0	0	111.2	I133 R134 V136 E145 W154 R155 S156	I133-Q147 CarbonylContact C-O 3.25Å; I133-Q147 VanDerWaalsContact CA-O 3.27Å; I133-Q147 WeakPolarHBondContact CA-O 3.44Å; R134-Q147 HydrophobicContact CG-CB 3.96Å; R134-Q147 VanDerWaalsContact CZ-OE1 3.28Å; R134-Q147 PolarHBondContact N-O 2.8Å; R134-Q147 PolarHBondContact O-N 3.09Å; V136-Q147 VanDerWaalsContact CG2-CD 3.48Å; V136-Q147 HydrophobicContact CG2-CG 3.86Å; E145-Q147 PolarHBondContact OE1-NE2 3.3Å; Q147-W154 HydrophobicContact CB-CE3 4.03Å; Q147-R155 CarbonylContact C-O 3.57Å; Q147-R155 WeakPolarHBondContact CA-O 3.27Å; Q147-S156 PolarHBondContact NE2-OG 3.21Å
148	I	87.9	Confident	84.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	146.2	172.2	74.6	177.7	0	0	0	109.9	I133 L150 W154 R155 V157 V196 I198 F214	I133-I148 HydrophobicContact CG2-CB 4.24Å; I133-I148 HydrophobicContact CG2-CG2 3.73Å; I148-L150 HydrophobicContact CD1-CB 4.22Å; I148-L150 HydrophobicContact CD1-CD2 4.36Å; I148-L150 HydrophobicContact CG1-CB 4.18Å; I148-W154 WeakPolarHBondContact O-CA 3.4Å; I148-R155 HydrophobicContact CG1-CB 4.48Å; I148-R155 PolarHBondContact N-O 3.36Å; I148-R155 PolarHBondContact O-N 3.16Å; I148-V157 HydrophobicContact CG2-CG2 3.74Å; I148-V196 HydrophobicContact CD1-CB 4.39Å; I148-V196 HydrophobicContact CD1-CG1 3.73Å; I148-V196 HydrophobicContact CD1-CG2 4.12Å; I148-V196 HydrophobicContact CG1-CG1 3.88Å; I148-I198 HydrophobicContact CD1-CD1 4.11Å; I148-F214 HydrophobicContact CB-CZ 4.31Å
149	W	82.2	Confident	84.1	Confident	50 Å²	50	29.9 Å²	29.9	19%	0.189	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	111.9	169.4	-175.5	-99.4	0	0	0	108.5	P129 K132 S152 W154	P129-W149 PolarHBondContact O-NE1 3.47Å; P129-W149 VanDerWaalsContact O-NE1 3.15Å; K132-W149 HydrophobicContact CB-CB 3.96Å; K132-W149 PolarHBondContact O-N 3.3Å; W149-S152 WeakPolarHBondContact CH2-O 3.46Å; W149-W154 HydrophobicContact CB-CD2 4.46Å; W149-W154 HydrophobicContact CB-CE3 4.11Å; W149-W154 HydrophobicContact CB-CH2 4.17Å; W149-W154 HydrophobicContact CB-CZ2 4.5Å; W149-W154 HydrophobicContact CB-CZ3 3.95Å; W149-W154 HydrophobicContact CE3-CB 4.48Å; W149-W154 AromaticContact CE3-CD1 3.47Å; W149-W154 VanDerWaalsContact CE3-CD1 3.47Å; W149-W154 AromaticContact CE3-CD2 3.67Å; W149-W154 HydrophobicContact CE3-CD2 3.67Å; W149-W154 AromaticContact CE3-CE2 3.54Å; W149-W154 HydrophobicContact CE3-CE3 4.43Å; W149-W154 AromaticContact CE3-CG 3.65Å; W149-W154 HydrophobicContact CE3-CG 3.65Å; W149-W154 HydrophobicContact CE3-CZ2 4.23Å; W149-W154 AromaticContact CE3-NE1 3.39Å; W149-W154 AromaticContact CZ3-CD1 3.4Å; W149-W154 HydrophobicContact CZ3-CD2 4.39Å; W149-W154 AromaticContact CZ3-CG 3.99Å; W149-W154 HydrophobicContact CZ3-CG 3.99Å; W149-W154 AromaticContact CZ3-NE1 3.47Å
150	L	74.1	Confident	83.6	Confident	15 Å²	15	25.6 Å²	25.6	8%	0.079	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.3	-179.4	-173.9	72	0	0	0	109.6	I148 S152 K153 V196 I223 Y225	I148-L150 HydrophobicContact CD1-CB 4.22Å; I148-L150 HydrophobicContact CD1-CD2 4.36Å; I148-L150 HydrophobicContact CG1-CB 4.18Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.19Å; L150-K153 PolarHBondContact N-O 2.66Å; L150-K153 PolarHBondContact O-N 2.9Å; L150-K153 VanDerWaalsContact O-O 3.07Å; L150-V196 HydrophobicContact CD2-CG2 4.46Å; L150-I223 HydrophobicContact CD2-CG2 4.15Å; L150-Y225 HydrophobicContact CD2-CD1 3.6Å; L150-Y225 HydrophobicContact CD2-CD2 4.42Å; L150-Y225 HydrophobicContact CD2-CE1 4.04Å; L150-Y225 HydrophobicContact CD2-CG 3.81Å
151	A	66.1	Low	82.5	Confident	9 Å²	9	27.6 Å²	27.6	7%	0.074	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	45.8	-178.7	0	0	0	0	0	113.5	K153 Y225	A151-K153 PolarHBondContact O-N 3.3Å; A151-Y225 HydrophobicContact CB-CE2 4.29Å
152	S	68.9	Low	81.4	Confident	73 Å²	73	33.7 Å²	33.7	51%	0.51	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	20.2	179.3	-48.7	0	0	0	0	115.7	W149 L150	W149-S152 WeakPolarHBondContact CH2-O 3.46Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.19Å
153	K	75.2	Confident	80.6	Confident	61 Å²	61	35.2 Å²	35.2	27%	0.265	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.6	172	-69.3	-174.9	178.3	176.6	0	110.5	L150 A151 P194	L150-K153 PolarHBondContact N-O 2.66Å; L150-K153 PolarHBondContact O-N 2.9Å; L150-K153 VanDerWaalsContact O-O 3.07Å; A151-K153 PolarHBondContact O-N 3.3Å; K153-P194 HydrophobicContact CD-CB 4.41Å; K153-P194 HydrophobicContact CD-CG 4.11Å
154	W	84.1	Confident	80.3	Confident	17 Å²	17	32.8 Å²	32.8	6%	0.064	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	130.3	162.6	-73.5	108.8	0	0	0	109.5	K132 R134 Q147 I148 W149	K132-W154 HydrophobicContact CB-CH2 3.89Å; R134-W154 HydrophobicContact CB-CH2 4.02Å; R134-W154 HydrophobicContact CB-CZ3 4.02Å; R134-W154 HydrophobicContact CG-CD2 4.33Å; R134-W154 HydrophobicContact CG-CE3 3.77Å; R134-W154 HydrophobicContact CG-CH2 3.88Å; R134-W154 HydrophobicContact CG-CZ2 4.42Å; R134-W154 HydrophobicContact CG-CZ3 3.54Å; R134-W154 VanDerWaalsContact CZ-CD1 3.42Å; R134-W154 VanDerWaalsContact CZ-CD2 3.44Å; R134-W154 VanDerWaalsContact NH2-CB 3.29Å; R134-W154 VanDerWaalsContact NH2-CD1 3.26Å; Q147-W154 HydrophobicContact CB-CE3 4.03Å; I148-W154 WeakPolarHBondContact O-CA 3.4Å; W149-W154 HydrophobicContact CB-CD2 4.46Å; W149-W154 HydrophobicContact CB-CE3 4.11Å; W149-W154 HydrophobicContact CB-CH2 4.17Å; W149-W154 HydrophobicContact CB-CZ2 4.5Å; W149-W154 HydrophobicContact CB-CZ3 3.95Å; W149-W154 HydrophobicContact CE3-CB 4.48Å; W149-W154 AromaticContact CE3-CD1 3.47Å; W149-W154 VanDerWaalsContact CE3-CD1 3.47Å; W149-W154 AromaticContact CE3-CD2 3.67Å; W149-W154 HydrophobicContact CE3-CD2 3.67Å; W149-W154 AromaticContact CE3-CE2 3.54Å; W149-W154 HydrophobicContact CE3-CE3 4.43Å; W149-W154 AromaticContact CE3-CG 3.65Å; W149-W154 HydrophobicContact CE3-CG 3.65Å; W149-W154 HydrophobicContact CE3-CZ2 4.23Å; W149-W154 AromaticContact CE3-NE1 3.39Å; W149-W154 AromaticContact CZ3-CD1 3.4Å; W149-W154 HydrophobicContact CZ3-CD2 4.39Å; W149-W154 AromaticContact CZ3-CG 3.99Å; W149-W154 HydrophobicContact CZ3-CG 3.99Å; W149-W154 AromaticContact CZ3-NE1 3.47Å
155	R	82.8	Confident	80.1	Confident	1 Å²	1	34.5 Å²	34.5	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.5	-176.9	-63.9	-174	179.8	-97.2	-2.6	112.3	Q147 I148 P194 S195 V196 E1181	Q147-R155 CarbonylContact C-O 3.57Å; Q147-R155 WeakPolarHBondContact CA-O 3.27Å; I148-R155 HydrophobicContact CG1-CB 4.48Å; I148-R155 PolarHBondContact N-O 3.36Å; I148-R155 PolarHBondContact O-N 3.16Å; R155-P194 VanDerWaalsContact CA-O 3.28Å; R155-P194 WeakPolarHBondContact CA-O 3.4Å; R155-P194 HydrophobicContact CG-CB 4.03Å; R155-S195 PolarHBondContact NH1-O 3.17Å; R155-V196 HydrophobicContact CB-CB 4.14Å; R155-V196 HydrophobicContact CB-CG1 3.92Å; R155-E1181 IonicContact CZ-OE1 3.84Å; R155-E1181 IonicContact NH1-OE1 3.8Å; R155-E1181 PolarHBondContact NH1-OE1 2.9Å; R155-E1181 VanDerWaalsContact NH2-CD 3.31Å; R155-E1181 IonicContact NH2-OE1 2.81Å; R155-E1181 PolarHBondContact NH2-OE1 3.16Å
156	S	87.3	Confident	80	Confident	8 Å²	8	40.4 Å²	40.4	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.5	174	-52.4	0	0	0	0	110.7	E145 Q147 P194 S195 V196	E145-S156 WeakPolarHBondContact OE1-CB 3.45Å; E145-S156 PolarHBondContact OE1-OG 3.28Å; Q147-S156 PolarHBondContact NE2-OG 3.21Å; S156-P194 PolarHBondContact N-O 2.79Å; S156-P194 VanDerWaalsContact N-O 3.16Å; S156-S195 CarbonylContact O-C 3.51Å; S156-S195 VanDerWaalsContact O-CA 3.26Å; S156-S195 WeakPolarHBondContact O-CA 3.34Å; S156-S195 WeakPolarHBondContact O-CB 3.2Å; S156-V196 PolarHBondContact O-N 2.87Å
157	V	87.5	Confident	80	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128	179.3	-177.8	0	0	0	0	109.9	L146 I148 W164 V196 I198 L235 V236	L146-V157 HydrophobicContact CB-CB 4.46Å; L146-V157 HydrophobicContact CB-CG2 4.4Å; L146-V157 HydrophobicContact CD2-CB 4.35Å; L146-V157 HydrophobicContact CD2-CG2 4.02Å; L146-V157 HydrophobicContact CG-CB 4.4Å; L146-V157 HydrophobicContact CG-CG2 3.9Å; L146-V157 WeakPolarHBondContact O-CG2 3.22Å; L146-V157 PolarHBondContact O-N 3.34Å; I148-V157 HydrophobicContact CG2-CG2 3.74Å; V157-W164 HydrophobicContact CG1-CH2 4.26Å; V157-W164 HydrophobicContact CG1-CZ2 3.62Å; V157-V196 CarbonylContact C-O 3.49Å; V157-V196 VanDerWaalsContact CA-O 3.31Å; V157-V196 WeakPolarHBondContact CA-O 3.46Å; V157-V196 HydrophobicContact CB-CG1 4.31Å; V157-V196 HydrophobicContact CG2-CG1 3.77Å; V157-I198 HydrophobicContact CG1-CB 4.01Å; V157-I198 HydrophobicContact CG1-CD1 3.79Å; V157-I198 HydrophobicContact CG1-CG1 4.2Å; V157-I198 HydrophobicContact CG2-CD1 4.07Å; V157-L235 CarbonylContact O-C 3.56Å; V157-L235 WeakPolarHBondContact O-CA 3.19Å; V157-V236 HydrophobicContact CB-CB 4.28Å; V157-V236 HydrophobicContact CG1-CB 4.14Å; V157-V236 HydrophobicContact CG1-CG2 3.94Å; V157-V236 PolarHBondContact O-N 2.95Å
158	C	84.3	Confident	79.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	159.6	166.1	65	0	0	0	0	111.7	V196 I198 C230 Q233 D234 L235	C158-V196 PolarHBondContact N-O 3.29Å; C158-I198 PolarHBondContact O-N 3.04Å; C158-C230 HydrophobicContact CB-CB 3.49Å; C158-C230 VanDerWaalsContact CB-CB 3.49Å; C158-C230 WeakPolarHBondContact CB-SG 3.42Å; C158-C230 WeakPolarHBondContact SG-CA 3.18Å; C158-C230 WeakPolarHBondContact SG-CB 3.34Å; C158-C230 CovalentContact SG-SG 2.01Å; C158-C230 PolarHBondContact SG-SG 3.16Å; C158-Q233 HydrophobicContact CB-CB 4.25Å; C158-Q233 PolarHBondContact SG-OE1 3.09Å; C158-Q233 VanDerWaalsContact SG-OE1 3.36Å; C158-D234 WeakPolarHBondContact CB-O 3.46Å; C158-L235 HydrophobicContact CB-CD2 4.22Å
159	S	80.7	Confident	80	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.014	22%	0.219	C	C	.	.			trans	-144.8	155.3	179.9	179.4	0	0	0	0	110.7	N161 W164	S159-N161 PolarHBondContact O-N 3.43Å; S159-W164 VanDerWaalsContact CB-CD1 3.45Å
160	Q	71.9	Confident	80.4	Confident	103 Å²	103	44.3 Å²	44.3	48%	0.481	23%	0.225	S	C	.	.			trans	-76.5	112.2	164.3	-66	-173.8	1.8	0	0	109	N162 E163	Q160-N162 VanDerWaalsContact C-N 3.27Å; Q160-N162 PolarHBondContact O-N 3.02Å; Q160-E163 PolarHBondContact O-N 3.02Å
161	N	64.3	Low	81.2	Confident	94 Å²	94	43.7 Å²	43.7	50%	0.503	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	21.4	-53	174.8	-61.9	-5.5	0	0	0	120.1	S159 L185	S159-N161 PolarHBondContact O-N 3.43Å; N161-L185 HydrophobicContact CB-CD1 4.45Å
162	N	66.9	Low	82.3	Confident	142 Å²	142	43.3 Å²	43.3	76%	0.759	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.1	9.3	-165.2	-66.1	-20	0	0	0	116.4	Q160	Q160-N162 VanDerWaalsContact C-N 3.27Å; Q160-N162 PolarHBondContact O-N 3.02Å
163	E	75.7	Confident	83.4	Confident	75 Å²	75	39.8 Å²	39.8	35%	0.35	19%	0.194	S	C	.	.			trans	-86.3	-13.9	-173.4	-70.3	-156.6	-146.3	0	0	115.3	Q160 S165 I199 K200	Q160-E163 PolarHBondContact O-N 3.02Å; E163-S165 PolarHBondContact O-N 3.24Å; E163-I199 WeakPolarHBondContact CB-O 3.27Å; E163-I199 HydrophobicContact CG-CG2 4.45Å; E163-I199 WeakPolarHBondContact OE1-CG2 3.44Å; E163-I199 WeakPolarHBondContact OE2-CG2 3.38Å; E163-K200 HydrophobicContact CB-CB 4.42Å; E163-K200 WeakPolarHBondContact OE2-CB 3.04Å
164	W	84.6	Confident	84.1	Confident	6 Å²	6	38.6 Å²	38.6	2%	0.023	19%	0.189	C	C	.	.			trans	-75.3	123.5	172	-80.6	56.6	0	0	0	110.3	L146 V157 S159 D168 F183 I198 P201 L213 V236	L146-W164 HydrophobicContact CD2-CH2 3.47Å; L146-W164 VanDerWaalsContact CD2-CH2 3.47Å; L146-W164 HydrophobicContact CD2-CZ2 4.44Å; L146-W164 HydrophobicContact CD2-CZ3 3.88Å; V157-W164 HydrophobicContact CG1-CH2 4.26Å; V157-W164 HydrophobicContact CG1-CZ2 3.62Å; S159-W164 VanDerWaalsContact CB-CD1 3.45Å; W164-D168 HydrophobicContact CE3-CB 4.15Å; W164-F183 HydrophobicContact CB-CD1 3.9Å; W164-F183 HydrophobicContact CB-CD2 4.05Å; W164-F183 HydrophobicContact CB-CE1 3.91Å; W164-F183 HydrophobicContact CB-CE2 4.04Å; W164-F183 HydrophobicContact CB-CG 3.98Å; W164-F183 HydrophobicContact CB-CZ 3.97Å; W164-F183 WeakPolarHBondContact O-CE1 3.34Å; W164-F183 WeakPolarHBondContact O-CZ 3.32Å; W164-I198 HydrophobicContact CZ2-CB 4.07Å; W164-I198 HydrophobicContact CZ2-CG2 3.89Å; W164-I198 PolarHBondContact NE1-O 2.85Å; W164-P201 HydrophobicContact CD2-CG 4.02Å; W164-P201 HydrophobicContact CE3-CG 4.26Å; W164-P201 HydrophobicContact CH2-CG 3.98Å; W164-P201 HydrophobicContact CZ2-CG 3.71Å; W164-P201 HydrophobicContact CZ3-CG 4.25Å; W164-L213 HydrophobicContact CH2-CD2 4.21Å; W164-V236 HydrophobicContact CD2-CG1 4.04Å; W164-V236 HydrophobicContact CD2-CG2 4.36Å; W164-V236 HydrophobicContact CE3-CG1 3.98Å; W164-V236 HydrophobicContact CH2-CG1 4.3Å; W164-V236 HydrophobicContact CZ2-CG1 4.36Å; W164-V236 HydrophobicContact CZ2-CG2 4.34Å; W164-V236 HydrophobicContact CZ3-CG1 4.11Å
165	S	87.1	Confident	84.3	Confident	43 Å²	43	39.2 Å²	39.2	30%	0.301	19%	0.193	S	C	.	.			trans	-87.7	163.4	175.1	75.7	0	0	0	0	111.4	E163 I167 D168 S169	E163-S165 PolarHBondContact O-N 3.24Å; S165-I167 PolarHBondContact O-N 2.86Å; S165-I167 PolarHBondContact OG-N 3.37Å; S165-D168 WeakPolarHBondContact CA-OD2 3.43Å; S165-D168 VanDerWaalsContact CB-OD2 3.29Å; S165-D168 WeakPolarHBondContact CB-OD2 2.98Å; S165-D168 PolarHBondContact N-OD2 2.93Å; S165-D168 PolarHBondContact O-N 3.26Å; S165-D168 PolarHBondContact OG-N 3.1Å; S165-D168 VanDerWaalsContact OG-N 3.13Å; S165-D168 PolarHBondContact OG-OD2 2.83Å; S165-S169 PolarHBondContact O-N 3.36Å; S165-S169 VanDerWaalsContact O-N 3.13Å; S165-S169 PolarHBondContact O-OG 3.22Å; S165-S169 VanDerWaalsContact O-OG 3.14Å
166	K	87.9	Confident	84.6	Confident	134 Å²	134	40.5 Å²	40.5	58%	0.583	20%	0.199	S	C	*	.	H	α-helix	trans	-59.6	-30.7	168.8	-171.6	177	-177.5	-180	0	112.1	R170	K166-R170 WeakPolarHBondContact O-CB 3.06Å; K166-R170 PolarHBondContact O-N 3.26Å
167	I	89.7	Confident	84.6	Confident	68 Å²	68	40.1 Å²	40.1	35%	0.349	20%	0.196	S	C	.	.	H	α-helix	trans	-68.1	-44.5	178.1	-61.1	172.7	0	0	0	109.8	S165 S169 R170 I171 C203	S165-I167 PolarHBondContact O-N 2.86Å; S165-I167 PolarHBondContact OG-N 3.37Å; I167-S169 VanDerWaalsContact C-N 3.33Å; I167-S169 PolarHBondContact O-N 3.43Å; I167-R170 WeakPolarHBondContact O-CB 3.22Å; I167-R170 PolarHBondContact O-N 3.26Å; I167-I171 HydrophobicContact CG2-CG1 4.49Å; I167-I171 WeakPolarHBondContact O-CG1 3.38Å; I167-I171 PolarHBondContact O-N 3.38Å; I167-C203 HydrophobicContact CG2-CB 4.12Å; I167-C203 WeakPolarHBondContact CG2-O 3.27Å
168	D	89.5	Confident	84.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-45.4	177.5	-53.5	-45.4	0	0	0	111.2	W164 S165 R170 I171 A172 P201 N202 C203	W164-D168 HydrophobicContact CE3-CB 4.15Å; S165-D168 WeakPolarHBondContact CA-OD2 3.43Å; S165-D168 VanDerWaalsContact CB-OD2 3.29Å; S165-D168 WeakPolarHBondContact CB-OD2 2.98Å; S165-D168 PolarHBondContact N-OD2 2.93Å; S165-D168 PolarHBondContact O-N 3.26Å; S165-D168 PolarHBondContact OG-N 3.1Å; S165-D168 VanDerWaalsContact OG-N 3.13Å; S165-D168 PolarHBondContact OG-OD2 2.83Å; D168-R170 VanDerWaalsContact C-N 3.33Å; D168-R170 PolarHBondContact O-N 3.07Å; D168-I171 PolarHBondContact O-N 2.96Å; D168-A172 WeakPolarHBondContact O-CB 3.25Å; D168-A172 PolarHBondContact O-N 2.93Å; D168-P201 HydrophobicContact CB-CB 4.08Å; D168-P201 HydrophobicContact CB-CG 3.93Å; D168-N202 PolarHBondContact OD1-N 3.39Å; D168-C203 VanDerWaalsContact OD1-CB 3.25Å; D168-C203 WeakPolarHBondContact OD1-CB 3.45Å; D168-C203 PolarHBondContact OD1-N 3.12Å; D168-C203 PolarHBondContact OD1-SG 3.36Å
169	S	90	Very high	85.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-42.4	176.3	-55.5	0	0	0	0	111.9	S165 I167 C173 F183	S165-S169 PolarHBondContact O-N 3.36Å; S165-S169 VanDerWaalsContact O-N 3.13Å; S165-S169 PolarHBondContact O-OG 3.22Å; S165-S169 VanDerWaalsContact O-OG 3.14Å; I167-S169 VanDerWaalsContact C-N 3.33Å; I167-S169 PolarHBondContact O-N 3.43Å; S169-C173 WeakPolarHBondContact O-CB 3.26Å; S169-C173 PolarHBondContact O-N 3.44Å; S169-C173 PolarHBondContact O-SG 3.13Å; S169-C173 VanDerWaalsContact O-SG 3.34Å; S169-F183 WeakPolarHBondContact OG-CB 3.2Å; S169-F183 WeakPolarHBondContact OG-CD1 3.27Å; S169-F183 PolarHBondContact OG-N 3.38Å
170	R	90.4	Very high	85.6	Confident	80 Å²	80	47.1 Å²	47.1	30%	0.302	23%	0.228	S	C	.	.	H	α-helix	trans	-62.9	-47.4	177.2	179.8	-178.7	65.9	168.8	1.5	111.4	K166 I167 D168 C173 Q174	K166-R170 WeakPolarHBondContact O-CB 3.06Å; K166-R170 PolarHBondContact O-N 3.26Å; I167-R170 WeakPolarHBondContact O-CB 3.22Å; I167-R170 PolarHBondContact O-N 3.26Å; D168-R170 VanDerWaalsContact C-N 3.33Å; D168-R170 PolarHBondContact O-N 3.07Å; R170-C173 PolarHBondContact O-N 3.49Å; R170-Q174 HydrophobicContact CG-CG 4.42Å; R170-Q174 WeakPolarHBondContact O-CB 3.45Å; R170-Q174 VanDerWaalsContact O-CG 3.28Å; R170-Q174 WeakPolarHBondContact O-CG 3.16Å; R170-Q174 PolarHBondContact O-N 2.97Å
171	I	89.9	Confident	86.5	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-44.2	179.5	-68.6	-58	0	0	0	111.1	I167 D168 C173 Q174 Q175 C203 E207	I167-I171 HydrophobicContact CG2-CG1 4.49Å; I167-I171 WeakPolarHBondContact O-CG1 3.38Å; I167-I171 PolarHBondContact O-N 3.38Å; D168-I171 PolarHBondContact O-N 2.96Å; I171-C173 PolarHBondContact O-N 2.84Å; I171-Q174 PolarHBondContact O-N 3.09Å; I171-Q175 PolarHBondContact O-N 3.13Å; I171-C203 HydrophobicContact CB-CB 4.48Å; I171-C203 HydrophobicContact CG1-CB 4.05Å; I171-E207 HydrophobicContact CD1-CB 4.33Å; I171-E207 HydrophobicContact CG2-CB 4.16Å
172	A	90.2	Very high	87.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-45.6	175	0	0	0	0	0	111.9	I133 D168 Q174 Q175 L176 L213 L238	I133-A172 HydrophobicContact CD1-CB 4.18Å; I133-A172 WeakPolarHBondContact CD1-O 3.38Å; D168-A172 WeakPolarHBondContact O-CB 3.25Å; D168-A172 PolarHBondContact O-N 2.93Å; A172-Q174 VanDerWaalsContact C-N 3.34Å; A172-Q174 PolarHBondContact O-N 3.02Å; A172-Q175 PolarHBondContact O-N 2.92Å; A172-L176 WeakPolarHBondContact O-CG 3.29Å; A172-L176 PolarHBondContact O-N 3.49Å; A172-L213 HydrophobicContact CB-CD1 4.45Å; A172-L213 HydrophobicContact CB-CD2 4.32Å; A172-L238 HydrophobicContact CB-CD1 3.62Å
173	C	91.7	Very high	88.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-34.5	176	-73.9	0	0	0	0	112.9	S169 R170 I171 L176 G177 Y178 G181 C240	S169-C173 WeakPolarHBondContact O-CB 3.26Å; S169-C173 PolarHBondContact O-N 3.44Å; S169-C173 PolarHBondContact O-SG 3.13Å; S169-C173 VanDerWaalsContact O-SG 3.34Å; R170-C173 PolarHBondContact O-N 3.49Å; I171-C173 PolarHBondContact O-N 2.84Å; C173-L176 CarbonylContact O-C 3.31Å; C173-L176 WeakPolarHBondContact O-CB 3.37Å; C173-L176 PolarHBondContact O-N 2.85Å; C173-G177 PolarHBondContact O-N 3.34Å; C173-Y178 WeakPolarHBondContact O-CA 3.27Å; C173-Y178 WeakPolarHBondContact O-CB 3.29Å; C173-Y178 PolarHBondContact O-N 3.33Å; C173-G181 VanDerWaalsContact SG-CA 3.59Å; C173-C240 VanDerWaalsContact CA-SG 3.57Å; C173-C240 HydrophobicContact CB-CB 3.74Å; C173-C240 WeakPolarHBondContact CB-SG 3.5Å; C173-C240 VanDerWaalsContact SG-CA 3.58Å; C173-C240 WeakPolarHBondContact SG-CB 3.48Å; C173-C240 CovalentContact SG-SG 2.04Å; C173-C240 PolarHBondContact SG-SG 2.84Å
174	Q	89.8	Confident	89.3	Confident	35 Å²	35	36.2 Å²	36.2	16%	0.164	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-40.5	175.2	-78.1	177.1	-11.3	0	0	112.9	R170 I171 A172 L176 G177 Y178 F179 N244	R170-Q174 HydrophobicContact CG-CG 4.42Å; R170-Q174 WeakPolarHBondContact O-CB 3.45Å; R170-Q174 VanDerWaalsContact O-CG 3.28Å; R170-Q174 WeakPolarHBondContact O-CG 3.16Å; R170-Q174 PolarHBondContact O-N 2.97Å; I171-Q174 PolarHBondContact O-N 3.09Å; A172-Q174 VanDerWaalsContact C-N 3.34Å; A172-Q174 PolarHBondContact O-N 3.02Å; Q174-L176 VanDerWaalsContact C-N 3.26Å; Q174-L176 PolarHBondContact O-N 3.39Å; Q174-G177 PolarHBondContact O-N 3.26Å; Q174-G177 VanDerWaalsContact O-N 3.11Å; Q174-Y178 VanDerWaalsContact CA-O 3.22Å; Q174-Y178 WeakPolarHBondContact CA-O 3.46Å; Q174-Y178 WeakPolarHBondContact CG-O 3.45Å; Q174-F179 PolarHBondContact NE2-O 3.17Å; Q174-N244 PolarHBondContact O-ND2 3.41Å; Q174-N244 VanDerWaalsContact O-ND2 3.14Å
175	Q	87.2	Confident	89.1	Confident	31 Å²	31	39 Å²	39	15%	0.145	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-30.8	172.7	-176.6	177.8	2.9	0	0	112.3	I133 I171 A172 G177	I133-Q175 HydrophobicContact CD1-CB 4.03Å; I133-Q175 HydrophobicContact CD1-CG 4.09Å; I133-Q175 HydrophobicContact CG1-CG 4.11Å; I171-Q175 PolarHBondContact O-N 3.13Å; A172-Q175 PolarHBondContact O-N 2.92Å; Q175-G177 VanDerWaalsContact C-N 3.27Å; Q175-G177 PolarHBondContact O-N 2.95Å
176	L	89.5	Confident	88.3	Confident	27 Å²	27	37.8 Å²	37.8	14%	0.141	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.5	174.4	-69.4	166.5	0	0	0	114.1	I133 L135 A172 C173 Q174 Y178 L238	I133-L176 HydrophobicContact CD1-CD1 4.3Å; I133-L176 HydrophobicContact CD1-CD2 4.31Å; I133-L176 HydrophobicContact CD1-CG 3.89Å; I133-L176 HydrophobicContact CG1-CD2 3.88Å; I133-L176 HydrophobicContact CG1-CG 4.02Å; L135-L176 HydrophobicContact CD1-CD1 3.88Å; L135-L176 HydrophobicContact CD2-CD1 3.98Å; L135-L176 HydrophobicContact CG-CD1 3.66Å; A172-L176 WeakPolarHBondContact O-CG 3.29Å; A172-L176 PolarHBondContact O-N 3.49Å; C173-L176 CarbonylContact O-C 3.31Å; C173-L176 WeakPolarHBondContact O-CB 3.37Å; C173-L176 PolarHBondContact O-N 2.85Å; Q174-L176 VanDerWaalsContact C-N 3.26Å; Q174-L176 PolarHBondContact O-N 3.39Å; L176-Y178 HydrophobicContact CB-CD2 3.77Å; L176-Y178 HydrophobicContact CB-CE2 4.07Å; L176-L238 HydrophobicContact CD1-CD1 4.45Å
177	G	88.3	Confident	87.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	13.3	-178.4	0	0	0	0	0	115.8	C173 Q174 Q175 N244 F248 H303	C173-G177 PolarHBondContact O-N 3.34Å; Q174-G177 PolarHBondContact O-N 3.26Å; Q174-G177 VanDerWaalsContact O-N 3.11Å; Q175-G177 VanDerWaalsContact C-N 3.27Å; Q175-G177 PolarHBondContact O-N 2.95Å; G177-N244 PolarHBondContact O-N 3.35Å; G177-N244 VanDerWaalsContact O-N 3.13Å; G177-F248 WeakPolarHBondContact O-CE2 3.35Å; G177-H303 PolarHBondContact O-NE2 2.89Å
178	Y	91.7	Very high	86.3	Confident	13 Å²	13	36.6 Å²	36.6	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	156.3	176.2	-61.1	-83.6	0	0	0	112	N142 C173 Q174 L176 C240 G242 H303	N142-Y178 WeakPolarHBondContact CA-OH 2.95Å; N142-Y178 HydrophobicContact CB-CD1 4.37Å; N142-Y178 HydrophobicContact CB-CE1 3.49Å; N142-Y178 VanDerWaalsContact CB-CE1 3.49Å; N142-Y178 HydrophobicContact CB-CE2 4.37Å; N142-Y178 WeakPolarHBondContact CB-OH 3.43Å; C173-Y178 WeakPolarHBondContact O-CA 3.27Å; C173-Y178 WeakPolarHBondContact O-CB 3.29Å; C173-Y178 PolarHBondContact O-N 3.33Å; Q174-Y178 VanDerWaalsContact CA-O 3.22Å; Q174-Y178 WeakPolarHBondContact CA-O 3.46Å; Q174-Y178 WeakPolarHBondContact CG-O 3.45Å; L176-Y178 HydrophobicContact CB-CD2 3.77Å; L176-Y178 HydrophobicContact CB-CE2 4.07Å; Y178-C240 HydrophobicContact CD1-CB 3.95Å; Y178-C240 HydrophobicContact CD2-CB 3.47Å; Y178-C240 VanDerWaalsContact CD2-CB 3.47Å; Y178-C240 HydrophobicContact CE2-CB 4.11Å; Y178-C240 HydrophobicContact CG-CB 3.39Å; Y178-G242 VanDerWaalsContact CA-O 3.24Å; Y178-G242 WeakPolarHBondContact CA-O 3.37Å; Y178-G242 WeakPolarHBondContact CD1-O 3.4Å; Y178-H303 AromaticContact CD1-CD2 3.49Å; Y178-H303 VanDerWaalsContact CD1-CD2 3.49Å; Y178-H303 WeakPolarHBondContact CD1-CD2 3.36Å; Y178-H303 AromaticContact CD1-NE2 3.6Å; Y178-H303 AromaticContact CE1-CD2 3.38Å; Y178-H303 WeakPolarHBondContact CE1-CD2 3.5Å; Y178-H303 AromaticContact CE1-NE2 3.68Å
179	F	90.6	Very high	85.1	Confident	108 Å²	108	37 Å²	37	47%	0.474	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-43.2	178.7	176.4	-112.6	0	0	0	112	Q174 W241 G242 V243	Q174-F179 PolarHBondContact NE2-O 3.17Å; F179-W241 PolarHBondContact N-O 2.76Å; F179-G242 PolarHBondContact N-O 2.83Å; F179-G242 VanDerWaalsContact N-O 3.12Å; F179-V243 WeakPolarHBondContact CB-O 3.49Å
180	N	91.3	Very high	83.5	Confident	29 Å²	29	44 Å²	44	16%	0.155	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	171.7	-173.2	-154.1	-12	0	0	0	110.8	C240 W241	N180-C240 CarbonylContact O-C 3.59Å; N180-C240 WeakPolarHBondContact O-CA 3.27Å; N180-W241 HydrophobicContact CB-CZ2 4.28Å; N180-W241 PolarHBondContact N-O 3.49Å; N180-W241 VanDerWaalsContact N-O 3.09Å; N180-W241 PolarHBondContact O-N 2.98Å; N180-W241 VanDerWaalsContact O-O 3.09Å
181	G	90.8	Very high	81.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	171.8	173	0	0	0	0	0	113.1	C173 N239 W241	C173-G181 VanDerWaalsContact SG-CA 3.59Å; G181-N239 CarbonylContact C-O 3.52Å; G181-N239 WeakPolarHBondContact CA-O 3.36Å; G181-W241 VanDerWaalsContact C-CH2 3.45Å; G181-W241 VanDerWaalsContact CA-CZ3 3.46Å
182	N	91.9	Very high	79.7	Confident	71 Å²	71	50.8 Å²	50.8	38%	0.38	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.5	172.3	-78.1	-6.1	0	0	0	109.3	N239 W241	N182-N239 PolarHBondContact N-O 3.46Å; N182-N239 PolarHBondContact O-N 3.26Å; N182-W241 HydrophobicContact CB-CH2 3.98Å; N182-W241 HydrophobicContact CB-CZ3 4.06Å
183	F	88.5	Confident	78.6	Confident	59 Å²	59	58.4 Å²	58.4	26%	0.259	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	159.8	166.7	82	-76.2	0	0	0	111.6	W164 S169 L185 V236 N237 L238	W164-F183 HydrophobicContact CB-CD1 3.9Å; W164-F183 HydrophobicContact CB-CD2 4.05Å; W164-F183 HydrophobicContact CB-CE1 3.91Å; W164-F183 HydrophobicContact CB-CE2 4.04Å; W164-F183 HydrophobicContact CB-CG 3.98Å; W164-F183 HydrophobicContact CB-CZ 3.97Å; W164-F183 WeakPolarHBondContact O-CE1 3.34Å; W164-F183 WeakPolarHBondContact O-CZ 3.32Å; S169-F183 WeakPolarHBondContact OG-CB 3.2Å; S169-F183 WeakPolarHBondContact OG-CD1 3.27Å; S169-F183 PolarHBondContact OG-N 3.38Å; F183-L185 HydrophobicContact CE2-CD2 4.47Å; F183-V236 HydrophobicContact CB-CG1 4.28Å; F183-N237 CarbonylContact C-O 2.99Å; F183-N237 WeakPolarHBondContact CA-O 3.48Å; F183-L238 HydrophobicContact CB-CD2 3.8Å
184	S	85.6	Confident	77.6	Confident	55 Å²	55	59.7 Å²	59.7	39%	0.385	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.5	169.2	51.6	0	0	0	0	107.8	N237	S184-N237 PolarHBondContact N-O 3.05Å; S184-N237 WeakPolarHBondContact O-CA 3.46Å; S184-N237 WeakPolarHBondContact O-CB 3.39Å; S184-N237 PolarHBondContact O-N 3.17Å; S184-N237 VanDerWaalsContact O-O 3.14Å; S184-N237 WeakPolarHBondContact OG-CB 3.22Å; S184-N237 PolarHBondContact OG-O 3.06Å
185	L	78.8	Confident	77	Confident	63 Å²	63	58 Å²	58	33%	0.33	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.7	171.4	-63.1	175.5	0	0	0	108.2	N161 F183 D234	N161-L185 HydrophobicContact CB-CD1 4.45Å; F183-L185 HydrophobicContact CE2-CD2 4.47Å; L185-D234 HydrophobicContact CB-CB 3.84Å; L185-D234 HydrophobicContact CD1-CB 4.46Å; L185-D234 HydrophobicContact CD2-CB 3.95Å; L185-D234 HydrophobicContact CG-CB 4.28Å
186	G	70.2	Confident	76.6	Confident	19 Å²	19	56.5 Å²	56.5	20%	0.196	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-157.3	-178.9	0	0	0	0	0	113.1	L235 N237	G186-L235 PolarHBondContact N-O 3.45Å; G186-N237 WeakPolarHBondContact CA-ND2 3.26Å
187	S	69.8	Low	76.1	Confident	82 Å²	82	56.4 Å²	56.4	57%	0.573	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	147.3	168.9	48.5	0	0	0	0	110.6	S189 L235	S187-S189 PolarHBondContact O-N 2.84Å; S187-L235 PolarHBondContact O-N 2.87Å
188	Q	67.4	Low	75.6	Confident	95 Å²	95	56.5 Å²	56.5	44%	0.444	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	135.7	166.5	-73.2	179.1	-18.6	0	0	109.9	F190 Q233 D234	Q188-F190 WeakPolarHBondContact O-CD2 3.43Å; Q188-F190 PolarHBondContact O-N 3.06Å; Q188-Q233 WeakPolarHBondContact CA-O 3.22Å; Q188-D234 WeakPolarHBondContact CG-OD1 3.33Å
189	S	64.1	Low	74.8	Confident	8 Å²	8	58 Å²	58	6%	0.056	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-67.2	125.8	170.9	-176.5	0	0	0	0	108.9	S187 C230 L232 Q233	S187-S189 PolarHBondContact O-N 2.84Å; S189-C230 VanDerWaalsContact CB-O 3.3Å; S189-C230 WeakPolarHBondContact CB-O 3.39Å; S189-L232 PolarHBondContact O-N 3.17Å; S189-Q233 PolarHBondContact N-O 3.39Å
190	F	55	Low	74.3	Confident	148 Å²	148	57.4 Å²	57.4	65%	0.649	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-93.4	144.8	168.3	-64.2	-78.6	0	0	0	109.5	Q188 R192	Q188-F190 WeakPolarHBondContact O-CD2 3.43Å; Q188-F190 PolarHBondContact O-N 3.06Å; F190-R192 PolarHBondContact O-N 3.03Å
191	N	46.7	Very low	74	Confident	85 Å²	85	56 Å²	56	46%	0.455	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	136	-177	-60.2	24	0	0	0	111.3	D231	N191-D231 PolarHBondContact OD1-OD1 2.86Å; N191-D231 PolarHBondContact OD1-OD2 3.07Å
192	R	55.1	Low	73.8	Confident	139 Å²	139	59.7 Å²	59.7	53%	0.525	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	117.8	-2.3	161.4	-61.1	164.4	175.5	173.6	0.5	118.8	F190 R227 D1165	F190-R192 PolarHBondContact O-N 3.03Å; R192-R227 PolarHBondContact O-NE 3.15Å; R192-D1165 IonicContact NH2-OD2 3.75Å
193	Y	67.1	Low	73.6	Confident	160 Å²	160	56.8 Å²	56.8	63%	0.627	28%	0.282	S	S	*	.	S	Bend	trans	-98.5	142	173.7	-63.1	-73.7	0	0	0	112.4	S195	Y193-S195 PolarHBondContact O-N 3.03Å; Y193-S195 VanDerWaalsContact O-N 3.12Å
194	P	70	Confident	73.5	Confident	26 Å²	26	61.2 Å²	61.2	17%	0.169	30%	0.301	C	S	.	.			trans	-55.7	119.8	170.4	-21.5	32.6	0	0	0	110.1	K153 R155 S156	K153-P194 HydrophobicContact CD-CB 4.41Å; K153-P194 HydrophobicContact CD-CG 4.11Å; R155-P194 VanDerWaalsContact CA-O 3.28Å; R155-P194 WeakPolarHBondContact CA-O 3.4Å; R155-P194 HydrophobicContact CG-CB 4.03Å; S156-P194 PolarHBondContact N-O 2.79Å; S156-P194 VanDerWaalsContact N-O 3.16Å
195	S	77.1	Confident	73.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	167.8	-177.9	69.7	0	0	0	0	111	R155 S156 Y193 Y225 G226 C230	R155-S195 PolarHBondContact NH1-O 3.17Å; S156-S195 CarbonylContact O-C 3.51Å; S156-S195 VanDerWaalsContact O-CA 3.26Å; S156-S195 WeakPolarHBondContact O-CA 3.34Å; S156-S195 WeakPolarHBondContact O-CB 3.2Å; Y193-S195 PolarHBondContact O-N 3.03Å; Y193-S195 VanDerWaalsContact O-N 3.12Å; S195-Y225 WeakPolarHBondContact O-CA 3.37Å; S195-Y225 WeakPolarHBondContact O-CB 3.37Å; S195-G226 CarbonylContact C-O 3.44Å; S195-G226 WeakPolarHBondContact CA-O 3.44Å; S195-G226 PolarHBondContact N-O 3.02Å; S195-G226 PolarHBondContact O-N 2.79Å; S195-G226 PolarHBondContact OG-O 2.88Å; S195-C230 WeakPolarHBondContact CB-SG 3.45Å; S195-C230 PolarHBondContact OG-SG 3.28Å
196	V	79.4	Confident	73.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	128	179.8	61.2	0	0	0	0	108.8	I148 L150 R155 S156 V157 C158 I198 I223 S224	I148-V196 HydrophobicContact CD1-CB 4.39Å; I148-V196 HydrophobicContact CD1-CG1 3.73Å; I148-V196 HydrophobicContact CD1-CG2 4.12Å; I148-V196 HydrophobicContact CG1-CG1 3.88Å; L150-V196 HydrophobicContact CD2-CG2 4.46Å; R155-V196 HydrophobicContact CB-CB 4.14Å; R155-V196 HydrophobicContact CB-CG1 3.92Å; S156-V196 PolarHBondContact O-N 2.87Å; V157-V196 CarbonylContact C-O 3.49Å; V157-V196 VanDerWaalsContact CA-O 3.31Å; V157-V196 WeakPolarHBondContact CA-O 3.46Å; V157-V196 HydrophobicContact CB-CG1 4.31Å; V157-V196 HydrophobicContact CG2-CG1 3.77Å; C158-V196 PolarHBondContact N-O 3.29Å; V196-I198 HydrophobicContact CG1-CD1 4.39Å; V196-I198 HydrophobicContact CG2-CD1 4.46Å; V196-I198 HydrophobicContact CG2-CG1 4.11Å; V196-I223 HydrophobicContact CG2-CG2 3.44Å; V196-I223 VanDerWaalsContact CG2-CG2 3.44Å; V196-S224 CarbonylContact C-O 3.55Å; V196-S224 WeakPolarHBondContact CA-O 3.34Å
197	Q	78.1	Confident	73.9	Confident	25 Å²	25	62.6 Å²	62.6	12%	0.117	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.1	172.9	179.7	-179.8	47	0	0	108.6	I199 S224 I229 Q233	Q197-I199 HydrophobicContact CG-CG1 3.92Å; Q197-S224 WeakPolarHBondContact CB-OG 3.31Å; Q197-S224 PolarHBondContact N-O 3.03Å; Q197-S224 PolarHBondContact O-N 2.94Å; Q197-S224 PolarHBondContact OE1-OG 2.81Å; Q197-S224 VanDerWaalsContact OE1-OG 3.13Å; Q197-I229 HydrophobicContact CB-CG2 3.51Å; Q197-I229 HydrophobicContact CG-CG2 4.49Å; Q197-Q233 VanDerWaalsContact NE2-OE1 3.16Å
198	I	78.4	Confident	73.8	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	97.6	171.5	-64.4	165.2	0	0	0	105.6	I148 V157 C158 W164 V196 P201 L219 I223	I148-I198 HydrophobicContact CD1-CD1 4.11Å; V157-I198 HydrophobicContact CG1-CB 4.01Å; V157-I198 HydrophobicContact CG1-CD1 3.79Å; V157-I198 HydrophobicContact CG1-CG1 4.2Å; V157-I198 HydrophobicContact CG2-CD1 4.07Å; C158-I198 PolarHBondContact O-N 3.04Å; W164-I198 HydrophobicContact CZ2-CB 4.07Å; W164-I198 HydrophobicContact CZ2-CG2 3.89Å; W164-I198 PolarHBondContact NE1-O 2.85Å; V196-I198 HydrophobicContact CG1-CD1 4.39Å; V196-I198 HydrophobicContact CG2-CD1 4.46Å; V196-I198 HydrophobicContact CG2-CG1 4.11Å; I198-P201 HydrophobicContact CG2-CB 4.48Å; I198-P201 HydrophobicContact CG2-CG 3.75Å; I198-L219 HydrophobicContact CD1-CD1 3.7Å; I198-L219 HydrophobicContact CD1-CG 4.48Å; I198-L219 HydrophobicContact CG1-CD1 4.25Å; I198-L219 HydrophobicContact CG2-CD1 3.83Å; I198-I223 HydrophobicContact CG1-CG1 4.26Å
199	I	74.6	Confident	73.5	Confident	45 Å²	45	61.6 Å²	61.6	23%	0.231	30%	0.299	C	S	.	.	S	Bend	trans	-63.9	-57.9	-179.4	-60.7	177.4	0	0	0	109.1	E163 Q197	E163-I199 WeakPolarHBondContact CB-O 3.27Å; E163-I199 HydrophobicContact CG-CG2 4.45Å; E163-I199 WeakPolarHBondContact OE1-CG2 3.44Å; E163-I199 WeakPolarHBondContact OE2-CG2 3.38Å; Q197-I199 HydrophobicContact CG-CG1 3.92Å
200	K	80.3	Confident	73.5	Confident	95 Å²	95	67.9 Å²	67.9	41%	0.413	33%	0.328	S	S	.	.			trans	-142.9	108.1	-177.7	-162.6	176.7	-167.9	-153.7	0	112.5	E163 N202 G218	E163-K200 HydrophobicContact CB-CB 4.42Å; E163-K200 WeakPolarHBondContact OE2-CB 3.04Å; K200-N202 VanDerWaalsContact C-N 3.3Å; K200-N202 WeakPolarHBondContact CD-OD1 3.07Å; K200-N202 WeakPolarHBondContact CE-OD1 3.38Å; K200-N202 HydrophobicContact CG-CB 4.39Å; K200-N202 PolarHBondContact NZ-OD1 2.99Å; K200-N202 PolarHBondContact O-N 3.01Å; K200-G218 CarbonylContact O-C 3.55Å; K200-G218 VanDerWaalsContact O-CA 3.27Å; K200-G218 WeakPolarHBondContact O-CA 3.32Å
201	P	84.4	Confident	74.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.316	C	S	.	.			trans	-63.8	-33.5	176.5	-19.1	30	0	0	0	113	W164 D168 I198 C203 L213 C216 G218 L219	W164-P201 HydrophobicContact CD2-CG 4.02Å; W164-P201 HydrophobicContact CE3-CG 4.26Å; W164-P201 HydrophobicContact CH2-CG 3.98Å; W164-P201 HydrophobicContact CZ2-CG 3.71Å; W164-P201 HydrophobicContact CZ3-CG 4.25Å; D168-P201 HydrophobicContact CB-CB 4.08Å; D168-P201 HydrophobicContact CB-CG 3.93Å; I198-P201 HydrophobicContact CG2-CB 4.48Å; I198-P201 HydrophobicContact CG2-CG 3.75Å; P201-C203 PolarHBondContact O-N 3.45Å; P201-L213 HydrophobicContact CB-CD1 3.99Å; P201-L213 HydrophobicContact CG-CD1 4.4Å; P201-C216 HydrophobicContact CB-CB 4.32Å; P201-C216 CarbonylContact O-C 3.57Å; P201-C216 WeakPolarHBondContact O-CB 3.38Å; P201-G218 WeakPolarHBondContact O-CA 3.02Å; P201-G218 PolarHBondContact O-N 3.05Å; P201-L219 HydrophobicContact CB-CD1 4.27Å; P201-L219 PolarHBondContact O-N 3.11Å
202	N	86.6	Confident	75.7	Confident	76 Å²	76	60.6 Å²	60.6	41%	0.406	30%	0.296	S	S	.	.			trans	58.6	42.2	176.4	-104.5	-6.2	0	0	0	113.1	D168 K200 P217	D168-N202 PolarHBondContact OD1-N 3.39Å; K200-N202 VanDerWaalsContact C-N 3.3Å; K200-N202 WeakPolarHBondContact CD-OD1 3.07Å; K200-N202 WeakPolarHBondContact CE-OD1 3.38Å; K200-N202 HydrophobicContact CG-CB 4.39Å; K200-N202 PolarHBondContact NZ-OD1 2.99Å; K200-N202 PolarHBondContact O-N 3.01Å; N202-P217 HydrophobicContact CB-CG 4.33Å; N202-P217 VanDerWaalsContact O-CD 3.23Å; N202-P217 WeakPolarHBondContact O-CD 3.49Å; N202-P217 VanDerWaalsContact O-CG 3.24Å; N202-P217 WeakPolarHBondContact O-CG 3.28Å
203	C	88.5	Confident	77	Confident	11 Å²	11	54 Å²	54	7%	0.074	27%	0.271	C	S	.	.			trans	-68.4	139.2	178.5	-54.6	0	0	0	0	111.7	I167 D168 I171 P201 E207 C216	I167-C203 HydrophobicContact CG2-CB 4.12Å; I167-C203 WeakPolarHBondContact CG2-O 3.27Å; D168-C203 VanDerWaalsContact OD1-CB 3.25Å; D168-C203 WeakPolarHBondContact OD1-CB 3.45Å; D168-C203 PolarHBondContact OD1-N 3.12Å; D168-C203 PolarHBondContact OD1-SG 3.36Å; I171-C203 HydrophobicContact CB-CB 4.48Å; I171-C203 HydrophobicContact CG1-CB 4.05Å; P201-C203 PolarHBondContact O-N 3.45Å; C203-E207 WeakPolarHBondContact CA-OE1 3.37Å; C203-E207 WeakPolarHBondContact CB-OE1 3.46Å; C203-C216 HydrophobicContact CB-CB 3.94Å; C203-C216 WeakPolarHBondContact CB-SG 3.25Å; C203-C216 WeakPolarHBondContact SG-CB 3.43Å; C203-C216 CovalentContact SG-SG 2.02Å; C203-C216 PolarHBondContact SG-SG 3.42Å
204	F	87.2	Confident	77.8	Confident	151 Å²	151	47 Å²	47	66%	0.662	24%	0.243	S	C	*	.			trans	-80.4	-22	175.2	-65.7	-64.7	0	0	0	112.8	N206 E207 P217	F204-N206 WeakPolarHBondContact CB-OD1 3.21Å; F204-E207 PolarHBondContact N-OE1 3.25Å; F204-P217 HydrophobicContact CD2-CG 4.29Å; F204-P217 HydrophobicContact CE2-CB 4.47Å; F204-P217 HydrophobicContact CE2-CG 3.61Å; F204-P217 HydrophobicContact CZ-CG 3.96Å
205	G	82.3	Confident	78.4	Confident	21 Å²	21	47.9 Å²	47.9	22%	0.216	25%	0.25	C	S	.	.	S	Bend	trans	94.5	3.4	179.1	0	0	0	0	0	115	E207	G205-E207 VanDerWaalsContact CA-OE2 3.26Å; G205-E207 WeakPolarHBondContact CA-OE2 3.4Å; G205-E207 PolarHBondContact N-OE2 3.16Å
206	N	81.1	Confident	78.8	Confident	127 Å²	127	48 Å²	48	68%	0.679	25%	0.251	S	S	*	.			trans	-116.5	10.3	177.5	56	-8.4	0	0	0	112.5	F204 T208	F204-N206 WeakPolarHBondContact CB-OD1 3.21Å; N206-T208 PolarHBondContact O-N 3.26Å
207	E	78.6	Confident	78.9	Confident	19 Å²	19	50 Å²	50	9%	0.089	26%	0.264	C	S	.	.			trans	-60.2	125.4	174.9	-66.6	81.7	-180	0	0	111	I171 C203 F204 G205 S215	I171-E207 HydrophobicContact CD1-CB 4.33Å; I171-E207 HydrophobicContact CG2-CB 4.16Å; C203-E207 WeakPolarHBondContact CA-OE1 3.37Å; C203-E207 WeakPolarHBondContact CB-OE1 3.46Å; F204-E207 PolarHBondContact N-OE1 3.25Å; G205-E207 VanDerWaalsContact CA-OE2 3.26Å; G205-E207 WeakPolarHBondContact CA-OE2 3.4Å; G205-E207 PolarHBondContact N-OE2 3.16Å; E207-S215 VanDerWaalsContact CG-CB 3.5Å
208	T	67.7	Low	78.8	Confident	95 Å²	95	49.3 Å²	49.3	58%	0.583	26%	0.264	S	S	*	.			trans	-70.3	147.9	-179.4	54.2	0	0	0	0	111.7	N206 E210 L211 G212	N206-T208 PolarHBondContact O-N 3.26Å; T208-E210 PolarHBondContact O-N 3.04Å; T208-L211 PolarHBondContact O-N 2.97Å; T208-G212 PolarHBondContact O-N 2.82Å
209	N	60.6	Low	78.5	Confident	61 Å²	61	49.2 Å²	49.2	33%	0.326	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.7	-173.5	-64.4	-17.1	0	0	0	115
210	E	64	Low	78.2	Confident	140 Å²	140	50 Å²	50	65%	0.654	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-40.4	-176.1	-68.7	-171.4	171.2	0	0	112.9	T208	T208-E210 PolarHBondContact O-N 3.04Å
211	L	69.4	Low	77.5	Confident	77 Å²	77	53 Å²	53	40%	0.403	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-27.7	176.6	-73	171.9	0	0	0	111.8	H131 T208 L213 F214 S215	H131-L211 HydrophobicContact CB-CD2 4.48Å; T208-L211 PolarHBondContact O-N 2.97Å; L211-L213 PolarHBondContact O-N 2.96Å; L211-F214 WeakPolarHBondContact O-CB 3.45Å; L211-F214 WeakPolarHBondContact O-CD2 3.31Å; L211-F214 PolarHBondContact O-N 3.38Å; L211-S215 WeakPolarHBondContact CB-OG 3.29Å
212	G	79	Confident	76.5	Confident	2 Å²	2	58.4 Å²	58.4	2%	0.021	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	51.9	-121	174.8	0	0	0	0	0	112.8	T208 F214 S215	T208-G212 PolarHBondContact O-N 2.82Å; G212-F214 PolarHBondContact O-N 3.02Å; G212-F214 VanDerWaalsContact O-N 3.17Å; G212-S215 WeakPolarHBondContact O-CB 3.37Å; G212-S215 PolarHBondContact O-N 3.45Å
213	L	83.2	Confident	75.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-57.3	-29.5	178.9	-173.2	63.6	0	0	0	112.7	I133 L146 W164 A172 P201 L211 S215 C216 L219	I133-L213 HydrophobicContact CG2-CD2 4.45Å; L146-L213 HydrophobicContact CD2-CD2 4.32Å; W164-L213 HydrophobicContact CH2-CD2 4.21Å; A172-L213 HydrophobicContact CB-CD1 4.45Å; A172-L213 HydrophobicContact CB-CD2 4.32Å; P201-L213 HydrophobicContact CB-CD1 3.99Å; P201-L213 HydrophobicContact CG-CD1 4.4Å; L211-L213 PolarHBondContact O-N 2.96Å; L213-S215 VanDerWaalsContact C-N 3.26Å; L213-S215 PolarHBondContact O-N 3.26Å; L213-C216 WeakPolarHBondContact O-CB 3.32Å; L213-C216 PolarHBondContact O-N 3.33Å; L213-C216 VanDerWaalsContact O-N 3.17Å; L213-C216 PolarHBondContact O-SG 2.89Å; L213-C216 VanDerWaalsContact O-SG 3.39Å; L213-L219 HydrophobicContact CD1-CD1 4.2Å; L213-L219 HydrophobicContact CD2-CD1 4.24Å; L213-L219 HydrophobicContact CG-CD1 3.84Å; L213-L219 HydrophobicContact CG-CD2 4.37Å; L213-L219 WeakPolarHBondContact O-CD2 3.28Å
214	F	82.5	Confident	74.4	Confident	13 Å²	13	56.2 Å²	56.2	6%	0.057	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-72.5	-15.3	178.7	-62.4	-86.9	0	0	0	114	H131 I133 I148 L211 G212 C216 L219 M220	H131-F214 VanDerWaalsContact CA-CE2 3.45Å; H131-F214 HydrophobicContact CB-CB 4.48Å; H131-F214 HydrophobicContact CB-CD1 4.45Å; H131-F214 HydrophobicContact CB-CD2 3.6Å; H131-F214 HydrophobicContact CB-CE2 3.83Å; H131-F214 HydrophobicContact CB-CG 3.94Å; H131-F214 HydrophobicContact CB-CZ 4.33Å; H131-F214 AromaticContact CG-CG 3.86Å; H131-F214 AromaticContact ND1-CD1 3.25Å; H131-F214 WeakPolarHBondContact ND1-CD1 3.48Å; H131-F214 AromaticContact ND1-CE1 3.63Å; H131-F214 AromaticContact ND1-CG 3.45Å; H131-F214 WeakPolarHBondContact ND1-CG 3.46Å; I133-F214 HydrophobicContact CG2-CE2 3.76Å; I133-F214 HydrophobicContact CG2-CZ 4.17Å; I148-F214 HydrophobicContact CB-CZ 4.31Å; L211-F214 WeakPolarHBondContact O-CB 3.45Å; L211-F214 WeakPolarHBondContact O-CD2 3.31Å; L211-F214 PolarHBondContact O-N 3.38Å; G212-F214 PolarHBondContact O-N 3.02Å; G212-F214 VanDerWaalsContact O-N 3.17Å; F214-C216 VanDerWaalsContact C-N 3.3Å; F214-L219 HydrophobicContact CB-CD2 4.33Å; F214-L219 HydrophobicContact CD1-CD2 3.6Å; F214-L219 HydrophobicContact CE1-CD2 4.15Å; F214-L219 HydrophobicContact CG-CD2 4.06Å; F214-M220 HydrophobicContact CD1-CE 4.16Å
215	S	83.1	Confident	73.5	Confident	45 Å²	45	49.5 Å²	49.5	32%	0.315	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-78.7	-14.6	170.8	-69.1	0	0	0	0	113.1	E207 L211 G212 L213	E207-S215 VanDerWaalsContact CG-CB 3.5Å; L211-S215 WeakPolarHBondContact CB-OG 3.29Å; G212-S215 WeakPolarHBondContact O-CB 3.37Å; G212-S215 PolarHBondContact O-N 3.45Å; L213-S215 VanDerWaalsContact C-N 3.26Å; L213-S215 PolarHBondContact O-N 3.26Å
216	C	85.8	Confident	72.6	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.014	26%	0.259	C	S	.	.	S	Bend	trans	-70.9	128.1	-175.1	-54.4	0	0	0	0	110.1	P201 C203 L213 F214 G218 L219	P201-C216 HydrophobicContact CB-CB 4.32Å; P201-C216 CarbonylContact O-C 3.57Å; P201-C216 WeakPolarHBondContact O-CB 3.38Å; C203-C216 HydrophobicContact CB-CB 3.94Å; C203-C216 WeakPolarHBondContact CB-SG 3.25Å; C203-C216 WeakPolarHBondContact SG-CB 3.43Å; C203-C216 CovalentContact SG-SG 2.02Å; C203-C216 PolarHBondContact SG-SG 3.42Å; L213-C216 WeakPolarHBondContact O-CB 3.32Å; L213-C216 PolarHBondContact O-N 3.33Å; L213-C216 VanDerWaalsContact O-N 3.17Å; L213-C216 PolarHBondContact O-SG 2.89Å; L213-C216 VanDerWaalsContact O-SG 3.39Å; F214-C216 VanDerWaalsContact C-N 3.3Å; C216-G218 PolarHBondContact O-N 3.1Å; C216-G218 VanDerWaalsContact O-N 3.13Å; C216-L219 WeakPolarHBondContact O-CB 3.33Å; C216-L219 PolarHBondContact O-N 2.73Å
217	P	81.3	Confident	71.8	Confident	42 Å²	42	43.5 Å²	43.5	27%	0.273	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.3	-169.9	24.9	-37.1	0	0	0	113.9	N202 F204 K221	N202-P217 HydrophobicContact CB-CG 4.33Å; N202-P217 VanDerWaalsContact O-CD 3.23Å; N202-P217 WeakPolarHBondContact O-CD 3.49Å; N202-P217 VanDerWaalsContact O-CG 3.24Å; N202-P217 WeakPolarHBondContact O-CG 3.28Å; F204-P217 HydrophobicContact CD2-CG 4.29Å; F204-P217 HydrophobicContact CE2-CB 4.47Å; F204-P217 HydrophobicContact CE2-CG 3.61Å; F204-P217 HydrophobicContact CZ-CG 3.96Å; P217-K221 WeakPolarHBondContact O-CD 3.33Å; P217-K221 VanDerWaalsContact O-CG 3.29Å; P217-K221 WeakPolarHBondContact O-CG 3.46Å
218	G	75.7	Confident	71.1	Confident	11 Å²	11	44.1 Å²	44.1	11%	0.113	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.3	176.5	0	0	0	0	0	113.7	K200 P201 C216	K200-G218 CarbonylContact O-C 3.55Å; K200-G218 VanDerWaalsContact O-CA 3.27Å; K200-G218 WeakPolarHBondContact O-CA 3.32Å; P201-G218 WeakPolarHBondContact O-CA 3.02Å; P201-G218 PolarHBondContact O-N 3.05Å; C216-G218 PolarHBondContact O-N 3.1Å; C216-G218 VanDerWaalsContact O-N 3.13Å
219	L	73.7	Confident	71.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-63.4	176.3	-146.4	86.8	0	0	0	109.3	I198 P201 L213 F214 C216 K221 I223	I198-L219 HydrophobicContact CD1-CD1 3.7Å; I198-L219 HydrophobicContact CD1-CG 4.48Å; I198-L219 HydrophobicContact CG1-CD1 4.25Å; I198-L219 HydrophobicContact CG2-CD1 3.83Å; P201-L219 HydrophobicContact CB-CD1 4.27Å; P201-L219 PolarHBondContact O-N 3.11Å; L213-L219 HydrophobicContact CD1-CD1 4.2Å; L213-L219 HydrophobicContact CD2-CD1 4.24Å; L213-L219 HydrophobicContact CG-CD1 3.84Å; L213-L219 HydrophobicContact CG-CD2 4.37Å; L213-L219 WeakPolarHBondContact O-CD2 3.28Å; F214-L219 HydrophobicContact CB-CD2 4.33Å; F214-L219 HydrophobicContact CD1-CD2 3.6Å; F214-L219 HydrophobicContact CE1-CD2 4.15Å; F214-L219 HydrophobicContact CG-CD2 4.06Å; C216-L219 WeakPolarHBondContact O-CB 3.33Å; C216-L219 PolarHBondContact O-N 2.73Å; L219-K221 VanDerWaalsContact C-N 3.25Å; L219-K221 PolarHBondContact O-N 3.08Å; L219-K221 VanDerWaalsContact O-N 3.12Å; L219-I223 HydrophobicContact CG-CD1 4.09Å; L219-I223 WeakPolarHBondContact O-CD1 3.42Å; L219-I223 WeakPolarHBondContact O-CG1 3.5Å
220	M	66.5	Low	71.7	Confident	63 Å²	63	38.5 Å²	38.5	31%	0.31	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-7.1	-174	-66.9	-63.7	-166.1	0	0	115.4	F214 I223 L1187	F214-M220 HydrophobicContact CD1-CE 4.16Å; M220-I223 HydrophobicContact SD-CD1 4.37Å; M220-L1187 WeakPolarHBondContact O-CD2 3.48Å; M220-L1187 HydrophobicContact SD-CD1 4.22Å
221	K	67	Low	72	Confident	158 Å²	158	33.7 Å²	33.7	69%	0.687	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-39.6	-178.8	-76.6	-178	-178.7	-179	0	113.7	P217 L219	P217-K221 WeakPolarHBondContact O-CD 3.33Å; P217-K221 VanDerWaalsContact O-CG 3.29Å; P217-K221 WeakPolarHBondContact O-CG 3.46Å; L219-K221 VanDerWaalsContact C-N 3.25Å; L219-K221 PolarHBondContact O-N 3.08Å; L219-K221 VanDerWaalsContact O-N 3.12Å
222	N	62.1	Low	72.1	Confident	112 Å²	112	36.3 Å²	36.3	60%	0.599	19%	0.193	S	C	*	.	S	Bend	trans	-132.5	38.6	-168.1	-69	-2.5	0	0	0	112.9
223	I	64.6	Low	71.9	Confident	13 Å²	13	38.5 Å²	38.5	7%	0.067	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.3	171.9	-72.8	150.3	0	0	0	109.8	L150 V196 I198 L219 M220 Y225 L1187	L150-I223 HydrophobicContact CD2-CG2 4.15Å; V196-I223 HydrophobicContact CG2-CG2 3.44Å; V196-I223 VanDerWaalsContact CG2-CG2 3.44Å; I198-I223 HydrophobicContact CG1-CG1 4.26Å; L219-I223 HydrophobicContact CG-CD1 4.09Å; L219-I223 WeakPolarHBondContact O-CD1 3.42Å; L219-I223 WeakPolarHBondContact O-CG1 3.5Å; M220-I223 HydrophobicContact SD-CD1 4.37Å; I223-Y225 HydrophobicContact CG2-CD1 3.88Å; I223-L1187 HydrophobicContact CD1-CD1 4.5Å
224	S	67.1	Low	71.9	Confident	29 Å²	29	40.2 Å²	40.2	20%	0.203	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.6	159.2	55.5	0	0	0	0	108.7	V196 Q197	V196-S224 CarbonylContact C-O 3.55Å; V196-S224 WeakPolarHBondContact CA-O 3.34Å; Q197-S224 WeakPolarHBondContact CB-OG 3.31Å; Q197-S224 PolarHBondContact N-O 3.03Å; Q197-S224 PolarHBondContact O-N 2.94Å; Q197-S224 PolarHBondContact OE1-OG 2.81Å; Q197-S224 VanDerWaalsContact OE1-OG 3.13Å
225	Y	68.1	Low	72.1	Confident	10 Å²	10	40.1 Å²	40.1	4%	0.039	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.4	179.8	62.3	-87.2	0	0	0	111.8	L150 A151 S195 I223 I229 E1181 T1189	L150-Y225 HydrophobicContact CD2-CD1 3.6Å; L150-Y225 HydrophobicContact CD2-CD2 4.42Å; L150-Y225 HydrophobicContact CD2-CE1 4.04Å; L150-Y225 HydrophobicContact CD2-CG 3.81Å; A151-Y225 HydrophobicContact CB-CE2 4.29Å; S195-Y225 WeakPolarHBondContact O-CA 3.37Å; S195-Y225 WeakPolarHBondContact O-CB 3.37Å; I223-Y225 HydrophobicContact CG2-CD1 3.88Å; Y225-I229 VanDerWaalsContact N-CD1 3.34Å; Y225-I229 WeakPolarHBondContact O-CD1 3.47Å; Y225-E1181 VanDerWaalsContact CD2-CD 3.47Å; Y225-E1181 WeakPolarHBondContact CD2-OE1 3.18Å; Y225-E1181 WeakPolarHBondContact CD2-OE2 3.44Å; Y225-E1181 HydrophobicContact CE2-CB 4.06Å; Y225-E1181 HydrophobicContact CE2-CG 4.09Å; Y225-E1181 WeakPolarHBondContact CE2-OE2 3.32Å; Y225-T1189 HydrophobicContact CD1-CG2 4.27Å; Y225-T1189 HydrophobicContact CD2-CG2 4.11Å; Y225-T1189 HydrophobicContact CE1-CG2 3.66Å; Y225-T1189 HydrophobicContact CE2-CG2 3.52Å; Y225-T1189 HydrophobicContact CG-CG2 4.49Å; Y225-T1189 WeakPolarHBondContact OH-CG2 3.44Å
226	G	64	Low	72.3	Confident	1 Å²	1	38 Å²	38	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-174.7	-170.5	0	0	0	0	0	111.1	S195	S195-G226 CarbonylContact C-O 3.44Å; S195-G226 WeakPolarHBondContact CA-O 3.44Å; S195-G226 PolarHBondContact N-O 3.02Å; S195-G226 PolarHBondContact O-N 2.79Å; S195-G226 PolarHBondContact OG-O 2.88Å
227	R	64.3	Low	72.5	Confident	20 Å²	20	39.6 Å²	39.6	8%	0.075	21%	0.205	C	C	.	.	S	Bend	trans	-86	-33.6	178.7	-107	175.4	-166.5	-171.8	-0.6	114	R192 Y1163 E1177 N1179	R192-R227 PolarHBondContact O-NE 3.15Å; R227-Y1163 HydrophobicContact CB-CD1 4.4Å; R227-E1177 IonicContact CZ-OE1 3.03Å; R227-E1177 IonicContact NH1-OE1 2.68Å; R227-E1177 PolarHBondContact NH1-OE1 3.27Å; R227-E1177 IonicContact NH2-OE1 3.29Å; R227-E1177 PolarHBondContact NH2-OE1 3.49Å; R227-N1179 WeakPolarHBondContact CD-ND2 3.38Å; R227-N1179 WeakPolarHBondContact CG-ND2 3.05Å; R227-N1179 PolarHBondContact NE-ND2 3.29Å; R227-N1179 PolarHBondContact NE-OD1 2.86Å
228	N	63.2	Low	73	Confident	32 Å²	32	37.7 Å²	37.7	17%	0.171	19%	0.193	C	C	.	.	S	Bend	trans	-106.3	-0.3	-172.7	-62.3	-2.2	0	0	0	113.1	C230 D231 Y1163	N228-C230 PolarHBondContact O-N 2.87Å; N228-D231 WeakPolarHBondContact CA-OD1 3.5Å; N228-D231 VanDerWaalsContact CB-OD2 3.24Å; N228-D231 WeakPolarHBondContact CB-OD2 3.07Å; N228-D231 VanDerWaalsContact O-CB 3.3Å; N228-D231 WeakPolarHBondContact O-CB 3.33Å; N228-D231 PolarHBondContact O-N 2.82Å; N228-Y1163 WeakPolarHBondContact ND2-CD2 3.41Å; N228-Y1163 WeakPolarHBondContact ND2-CE2 3.37Å
229	I	66.9	Low	73.8	Confident	38 Å²	38	40.2 Å²	40.2	20%	0.195	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-31.4	-174.3	-61.3	-165	0	0	0	111.6	Q197 Y225 Q233	Q197-I229 HydrophobicContact CB-CG2 3.51Å; Q197-I229 HydrophobicContact CG-CG2 4.49Å; Y225-I229 VanDerWaalsContact N-CD1 3.34Å; Y225-I229 WeakPolarHBondContact O-CD1 3.47Å; I229-Q233 PolarHBondContact O-NE2 2.77Å; I229-Q233 VanDerWaalsContact O-NE2 3.09Å
230	C	74.2	Confident	74.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	11.4	177	-58	0	0	0	0	112.8	C158 S189 S195 N228 L232 Q233	C158-C230 HydrophobicContact CB-CB 3.49Å; C158-C230 VanDerWaalsContact CB-CB 3.49Å; C158-C230 WeakPolarHBondContact CB-SG 3.42Å; C158-C230 WeakPolarHBondContact SG-CA 3.18Å; C158-C230 WeakPolarHBondContact SG-CB 3.34Å; C158-C230 CovalentContact SG-SG 2.01Å; C158-C230 PolarHBondContact SG-SG 3.16Å; S189-C230 VanDerWaalsContact CB-O 3.3Å; S189-C230 WeakPolarHBondContact CB-O 3.39Å; S195-C230 WeakPolarHBondContact CB-SG 3.45Å; S195-C230 PolarHBondContact OG-SG 3.28Å; N228-C230 PolarHBondContact O-N 2.87Å; C230-L232 PolarHBondContact O-N 3.41Å; C230-Q233 WeakPolarHBondContact O-CB 3.45Å; C230-Q233 PolarHBondContact O-N 2.93Å
231	D	70.7	Confident	76	Confident	40 Å²	40	41.1 Å²	41.1	21%	0.214	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-56.8	129.6	-178.4	-79.3	-2.5	0	0	0	110.4	N191 N228 Q233	N191-D231 PolarHBondContact OD1-OD1 2.86Å; N191-D231 PolarHBondContact OD1-OD2 3.07Å; N228-D231 WeakPolarHBondContact CA-OD1 3.5Å; N228-D231 VanDerWaalsContact CB-OD2 3.24Å; N228-D231 WeakPolarHBondContact CB-OD2 3.07Å; N228-D231 VanDerWaalsContact O-CB 3.3Å; N228-D231 WeakPolarHBondContact O-CB 3.33Å; N228-D231 PolarHBondContact O-N 2.82Å; D231-Q233 PolarHBondContact O-N 2.82Å
232	L	70.8	Confident	77.2	Confident	132 Å²	132	34 Å²	34	69%	0.691	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	12.2	-176.7	-51.4	173.3	0	0	0	114.6	S189 C230	S189-L232 PolarHBondContact O-N 3.17Å; C230-L232 PolarHBondContact O-N 3.41Å
233	Q	75.9	Confident	78.5	Confident	48 Å²	48	28.8 Å²	28.8	22%	0.224	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-99	152.3	173.3	-61.3	179.9	23.9	0	0	111	C158 Q188 S189 Q197 I229 C230 D231	C158-Q233 HydrophobicContact CB-CB 4.25Å; C158-Q233 PolarHBondContact SG-OE1 3.09Å; C158-Q233 VanDerWaalsContact SG-OE1 3.36Å; Q188-Q233 WeakPolarHBondContact CA-O 3.22Å; S189-Q233 PolarHBondContact N-O 3.39Å; Q197-Q233 VanDerWaalsContact NE2-OE1 3.16Å; I229-Q233 PolarHBondContact O-NE2 2.77Å; I229-Q233 VanDerWaalsContact O-NE2 3.09Å; C230-Q233 WeakPolarHBondContact O-CB 3.45Å; C230-Q233 PolarHBondContact O-N 2.93Å; D231-Q233 PolarHBondContact O-N 2.82Å
234	D	82.6	Confident	79.6	Confident	36 Å²	36	28.3 Å²	28.3	19%	0.193	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	135.4	176.4	-66.2	-28.6	0	0	0	111.2	C158 L185 Q188	C158-D234 WeakPolarHBondContact CB-O 3.46Å; L185-D234 HydrophobicContact CB-CB 3.84Å; L185-D234 HydrophobicContact CD1-CB 4.46Å; L185-D234 HydrophobicContact CD2-CB 3.95Å; L185-D234 HydrophobicContact CG-CB 4.28Å; Q188-D234 WeakPolarHBondContact CG-OD1 3.33Å
235	L	86	Confident	80.3	Confident	10 Å²	10	29.9 Å²	29.9	5%	0.052	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	142.2	174	-63.7	177.3	0	0	0	110.7	E145 V157 C158 G186 S187 N237	E145-L235 HydrophobicContact CG-CB 4.44Å; E145-L235 HydrophobicContact CG-CD1 4.21Å; V157-L235 CarbonylContact O-C 3.56Å; V157-L235 WeakPolarHBondContact O-CA 3.19Å; C158-L235 HydrophobicContact CB-CD2 4.22Å; G186-L235 PolarHBondContact N-O 3.45Å; S187-L235 PolarHBondContact O-N 2.87Å; L235-N237 PolarHBondContact O-N 3.43Å
236	V	87.8	Confident	81	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	111.7	176.2	179.1	0	0	0	0	108.8	L146 V157 W164 F183 L238	L146-V236 WeakPolarHBondContact CB-O 3.34Å; L146-V236 HydrophobicContact CD2-CG1 4.45Å; L146-V236 PolarHBondContact N-O 3.1Å; V157-V236 HydrophobicContact CB-CB 4.28Å; V157-V236 HydrophobicContact CG1-CB 4.14Å; V157-V236 HydrophobicContact CG1-CG2 3.94Å; V157-V236 PolarHBondContact O-N 2.95Å; W164-V236 HydrophobicContact CD2-CG1 4.04Å; W164-V236 HydrophobicContact CD2-CG2 4.36Å; W164-V236 HydrophobicContact CE3-CG1 3.98Å; W164-V236 HydrophobicContact CH2-CG1 4.3Å; W164-V236 HydrophobicContact CZ2-CG1 4.36Å; W164-V236 HydrophobicContact CZ2-CG2 4.34Å; W164-V236 HydrophobicContact CZ3-CG1 4.11Å; F183-V236 HydrophobicContact CB-CG1 4.28Å; V236-L238 HydrophobicContact CG1-CD2 4.36Å
237	N	89.6	Confident	81.9	Confident	37 Å²	37	37.6 Å²	37.6	20%	0.198	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.8	169.9	-73.6	-9.6	0	0	0	109.7	G144 E145 F183 S184 G186 L235	G144-N237 CarbonylContact O-C 3.53Å; G144-N237 WeakPolarHBondContact O-CA 2.87Å; E145-N237 WeakPolarHBondContact CA-OD1 3.4Å; E145-N237 PolarHBondContact N-OD1 3.29Å; F183-N237 CarbonylContact C-O 2.99Å; F183-N237 WeakPolarHBondContact CA-O 3.48Å; S184-N237 PolarHBondContact N-O 3.05Å; S184-N237 WeakPolarHBondContact O-CA 3.46Å; S184-N237 WeakPolarHBondContact O-CB 3.39Å; S184-N237 PolarHBondContact O-N 3.17Å; S184-N237 VanDerWaalsContact O-O 3.14Å; S184-N237 WeakPolarHBondContact OG-CB 3.22Å; S184-N237 PolarHBondContact OG-O 3.06Å; G186-N237 WeakPolarHBondContact CA-ND2 3.26Å; L235-N237 PolarHBondContact O-N 3.43Å
238	L	91.9	Very high	83.1	Confident	1 Å²	1	37 Å²	37	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	148.4	169.1	-60.6	-177.8	0	0	0	110.6	L135 Q143 G144 L146 A172 L176 F183 V236	L135-L238 HydrophobicContact CD1-CB 4.38Å; L135-L238 HydrophobicContact CD2-CB 3.78Å; L135-L238 HydrophobicContact CD2-CD1 4.14Å; L135-L238 HydrophobicContact CD2-CG 4.2Å; Q143-L238 CarbonylContact C-O 3.56Å; Q143-L238 WeakPolarHBondContact CA-O 3.44Å; G144-L238 PolarHBondContact N-O 3.01Å; G144-L238 PolarHBondContact O-N 2.86Å; L146-L238 HydrophobicContact CB-CD1 4.49Å; L146-L238 HydrophobicContact CB-CG 4.32Å; L146-L238 HydrophobicContact CD1-CD1 3.96Å; L146-L238 HydrophobicContact CD2-CD1 4.12Å; L146-L238 HydrophobicContact CD2-CG 4.45Å; L146-L238 HydrophobicContact CG-CD1 4.42Å; A172-L238 HydrophobicContact CB-CD1 3.62Å; L176-L238 HydrophobicContact CD1-CD1 4.45Å; F183-L238 HydrophobicContact CB-CD2 3.8Å; V236-L238 HydrophobicContact CG1-CD2 4.36Å
239	N	93.1	Very high	84.2	Confident	64 Å²	64	40.9 Å²	40.9	34%	0.342	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	106.5	164.5	-179	14.3	0	0	0	107.7	Q143 G181 N182 W241	Q143-N239 HydrophobicContact CB-CB 4.38Å; G181-N239 CarbonylContact C-O 3.52Å; G181-N239 WeakPolarHBondContact CA-O 3.36Å; N182-N239 PolarHBondContact N-O 3.46Å; N182-N239 PolarHBondContact O-N 3.26Å; N239-W241 VanDerWaalsContact O-CE3 3.24Å; N239-W241 WeakPolarHBondContact O-CZ3 3.31Å
240	C	93.6	Very high	85.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	147.2	-176.4	-55.1	0	0	0	0	111.4	N142 C173 Y178 N180	N142-C240 WeakPolarHBondContact CB-O 3.14Å; N142-C240 PolarHBondContact ND2-O 3.08Å; N142-C240 PolarHBondContact O-N 3.05Å; C173-C240 VanDerWaalsContact CA-SG 3.57Å; C173-C240 HydrophobicContact CB-CB 3.74Å; C173-C240 WeakPolarHBondContact CB-SG 3.5Å; C173-C240 VanDerWaalsContact SG-CA 3.58Å; C173-C240 WeakPolarHBondContact SG-CB 3.48Å; C173-C240 CovalentContact SG-SG 2.04Å; C173-C240 PolarHBondContact SG-SG 2.84Å; Y178-C240 HydrophobicContact CD1-CB 3.95Å; Y178-C240 HydrophobicContact CD2-CB 3.47Å; Y178-C240 VanDerWaalsContact CD2-CB 3.47Å; Y178-C240 HydrophobicContact CE2-CB 4.11Å; Y178-C240 HydrophobicContact CG-CB 3.39Å; N180-C240 CarbonylContact O-C 3.59Å; N180-C240 WeakPolarHBondContact O-CA 3.27Å
241	W	92.8	Very high	86.2	Confident	83 Å²	83	41.4 Å²	41.4	31%	0.314	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.7	178.2	62.7	83.9	0	0	0	112.7	F179 N180 G181 N182 N239	F179-W241 PolarHBondContact N-O 2.76Å; N180-W241 HydrophobicContact CB-CZ2 4.28Å; N180-W241 PolarHBondContact N-O 3.49Å; N180-W241 VanDerWaalsContact N-O 3.09Å; N180-W241 PolarHBondContact O-N 2.98Å; N180-W241 VanDerWaalsContact O-O 3.09Å; G181-W241 VanDerWaalsContact C-CH2 3.45Å; G181-W241 VanDerWaalsContact CA-CZ3 3.46Å; N182-W241 HydrophobicContact CB-CH2 3.98Å; N182-W241 HydrophobicContact CB-CZ3 4.06Å; N239-W241 VanDerWaalsContact O-CE3 3.24Å; N239-W241 WeakPolarHBondContact O-CZ3 3.31Å
242	G	91.7	Very high	87.4	Confident	7 Å²	7	39.5 Å²	39.5	7%	0.072	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.5	169.5	-174.3	0	0	0	0	0	113.1	Y178 F179 N301 H303	Y178-G242 VanDerWaalsContact CA-O 3.24Å; Y178-G242 WeakPolarHBondContact CA-O 3.37Å; Y178-G242 WeakPolarHBondContact CD1-O 3.4Å; F179-G242 PolarHBondContact N-O 2.83Å; F179-G242 VanDerWaalsContact N-O 3.12Å; G242-N301 CarbonylContact C-O 3.5Å; G242-N301 VanDerWaalsContact CA-O 3.29Å; G242-N301 WeakPolarHBondContact CA-O 3.42Å; G242-H303 PolarHBondContact O-CD2 2.85Å; G242-H303 PolarHBondContact O-NE2 3.49Å
243	V	90.8	Very high	88.6	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.2	-179	174.3	0	0	0	0	109	F179 P245 F248 V297 N301 H303	F179-V243 WeakPolarHBondContact CB-O 3.49Å; V243-P245 WeakPolarHBondContact O-CD 3.28Å; V243-F248 HydrophobicContact CG1-CB 3.85Å; V243-F248 HydrophobicContact CG1-CD2 3.55Å; V243-F248 HydrophobicContact CG1-CG 4.06Å; V243-V297 HydrophobicContact CB-CG1 4.33Å; V243-V297 HydrophobicContact CG1-CB 4.5Å; V243-V297 HydrophobicContact CG1-CG1 4.03Å; V243-V297 HydrophobicContact CG1-CG2 3.66Å; V243-V297 HydrophobicContact CG2-CG1 4.13Å; V243-V297 HydrophobicContact CG2-CG2 4.12Å; V243-N301 WeakPolarHBondContact CB-O 3.3Å; V243-N301 WeakPolarHBondContact CG2-O 3.37Å; V243-N301 PolarHBondContact N-O 3.22Å; V243-H303 HydrophobicContact CG2-CB 4.36Å; V243-H303 VanDerWaalsContact CG2-N 3.29Å
244	N	87.7	Confident	89.5	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	17%	0.173	C	C	.	.			trans	-69.6	108.5	172.1	-172.9	-11.5	0	0	0	110.4	Q174 G177 N246 Q247 F248	Q174-N244 PolarHBondContact O-ND2 3.41Å; Q174-N244 VanDerWaalsContact O-ND2 3.14Å; G177-N244 PolarHBondContact O-N 3.35Å; G177-N244 VanDerWaalsContact O-N 3.13Å; N244-N246 PolarHBondContact O-N 3.23Å; N244-N246 PolarHBondContact OD1-N 3.24Å; N244-Q247 HydrophobicContact CB-CB 4.18Å; N244-Q247 PolarHBondContact O-N 2.83Å; N244-F248 WeakPolarHBondContact O-CD2 3.42Å; N244-F248 PolarHBondContact O-N 2.95Å
245	P	80.6	Confident	90.2	Very high	61 Å²	61	31 Å²	31	40%	0.396	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.2	-174.1	28.2	-34.9	0	0	0	112.6	V243 Q247 I249	V243-P245 WeakPolarHBondContact O-CD 3.28Å; P245-Q247 VanDerWaalsContact C-N 3.28Å; P245-Q247 PolarHBondContact O-N 3.36Å; P245-I249 WeakPolarHBondContact O-CG1 3.13Å
246	N	82.7	Confident	90.7	Very high	119 Å²	119	32.9 Å²	32.9	64%	0.636	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.4	-179.8	-64.5	-14.4	0	0	0	112.3	N244	N244-N246 PolarHBondContact O-N 3.23Å; N244-N246 PolarHBondContact OD1-N 3.24Å
247	Q	83.7	Confident	91.1	Very high	54 Å²	54	32.9 Å²	32.9	25%	0.252	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-35.7	-176.6	-172.6	168.6	8.6	0	0	112.4	N244 P245 Y349	N244-Q247 HydrophobicContact CB-CB 4.18Å; N244-Q247 PolarHBondContact O-N 2.83Å; P245-Q247 VanDerWaalsContact C-N 3.28Å; P245-Q247 PolarHBondContact O-N 3.36Å; Q247-Y349 VanDerWaalsContact NE2-CZ 3.29Å; Q247-Y349 PolarHBondContact NE2-OH 3.35Å
248	F	89.1	Confident	91.2	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.031	18%	0.176	C	C	.	.	S	Bend	trans	-111.3	49.4	-173.8	-56.2	-69.8	0	0	0	112.9	G177 V243 N244 G250 Y251 V297 H303 A325 Y349	G177-F248 WeakPolarHBondContact O-CE2 3.35Å; V243-F248 HydrophobicContact CG1-CB 3.85Å; V243-F248 HydrophobicContact CG1-CD2 3.55Å; V243-F248 HydrophobicContact CG1-CG 4.06Å; N244-F248 WeakPolarHBondContact O-CD2 3.42Å; N244-F248 PolarHBondContact O-N 2.95Å; F248-G250 PolarHBondContact O-N 3.09Å; F248-Y251 HydrophobicContact CB-CD1 4.43Å; F248-Y251 HydrophobicContact CB-CD2 3.82Å; F248-Y251 HydrophobicContact CB-CE2 4.15Å; F248-Y251 HydrophobicContact CB-CG 3.96Å; F248-Y251 HydrophobicContact CD1-CD1 4.16Å; F248-Y251 HydrophobicContact CD1-CD2 4.44Å; F248-Y251 AromaticContact CD1-CE1 3.79Å; F248-Y251 HydrophobicContact CD1-CE1 3.79Å; F248-Y251 HydrophobicContact CD1-CE2 4.09Å; F248-Y251 HydrophobicContact CD1-CG 4.47Å; F248-Y251 AromaticContact CD1-CZ 3.74Å; F248-Y251 VanDerWaalsContact O-CD2 3.32Å; F248-Y251 WeakPolarHBondContact O-CD2 3.28Å; F248-Y251 PolarHBondContact O-N 2.87Å; F248-V297 HydrophobicContact CB-CG2 3.94Å; F248-H303 AromaticContact CE2-CE1 3.99Å; F248-A325 HydrophobicContact CB-CB 4.42Å; F248-A325 HydrophobicContact CD1-CB 3.45Å; F248-A325 VanDerWaalsContact CD1-CB 3.45Å; F248-A325 HydrophobicContact CD2-CB 4.41Å; F248-A325 HydrophobicContact CE1-CB 3.7Å; F248-A325 HydrophobicContact CG-CB 3.83Å; F248-A325 HydrophobicContact CZ-CB 4.26Å; F248-Y349 HydrophobicContact CE1-CD1 4.29Å; F248-Y349 AromaticContact CE1-CD2 3.6Å; F248-Y349 HydrophobicContact CE1-CD2 3.6Å; F248-Y349 HydrophobicContact CE1-CE1 4.32Å; F248-Y349 AromaticContact CE1-CE2 3.63Å; F248-Y349 HydrophobicContact CE1-CE2 3.63Å; F248-Y349 AromaticContact CE1-CG 3.94Å; F248-Y349 HydrophobicContact CE1-CG 3.94Å; F248-Y349 AromaticContact CE1-CZ 4Å; F248-Y349 AromaticContact CZ-CD1 3.69Å; F248-Y349 HydrophobicContact CZ-CD1 3.69Å; F248-Y349 AromaticContact CZ-CD2 3.86Å; F248-Y349 HydrophobicContact CZ-CD2 3.86Å; F248-Y349 AromaticContact CZ-CE1 3.81Å; F248-Y349 HydrophobicContact CZ-CE1 3.81Å; F248-Y349 AromaticContact CZ-CE2 3.97Å; F248-Y349 HydrophobicContact CZ-CE2 3.97Å; F248-Y349 AromaticContact CZ-CG 3.71Å; F248-Y349 HydrophobicContact CZ-CG 3.71Å; F248-Y349 AromaticContact CZ-CZ 3.94Å
249	I	86.8	Confident	91	Very high	115 Å²	115	39.5 Å²	39.5	59%	0.59	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	123.1	-177.5	-57.1	170	0	0	0	110.9	K98 P245 Y251	K98-I249 PolarHBondContact NZ-O 3.38Å; P245-I249 WeakPolarHBondContact O-CG1 3.13Å; I249-Y251 VanDerWaalsContact C-N 3.29Å; I249-Y251 PolarHBondContact O-N 2.96Å
250	G	88.4	Confident	90.5	Very high	23 Å²	23	36.6 Å²	36.6	24%	0.237	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	6.2	175.2	0	0	0	0	0	114.9	K98 F248	K98-G250 VanDerWaalsContact CB-O 3.26Å; K98-G250 WeakPolarHBondContact CB-O 3.33Å; F248-G250 PolarHBondContact O-N 3.09Å
251	Y	94.3	Very high	90.2	Very high	25 Å²	25	39.1 Å²	39.1	10%	0.098	21%	0.208	C	C	.	.			trans	-66	140.7	-179.8	-79.3	-123.7	0	0	0	110.5	A74 G75 F248 I249 F294 V297 Y323 A325	A74-Y251 WeakPolarHBondContact CA-O 3.49Å; G75-Y251 PolarHBondContact N-O 3.05Å; F248-Y251 HydrophobicContact CB-CD1 4.43Å; F248-Y251 HydrophobicContact CB-CD2 3.82Å; F248-Y251 HydrophobicContact CB-CE2 4.15Å; F248-Y251 HydrophobicContact CB-CG 3.96Å; F248-Y251 HydrophobicContact CD1-CD1 4.16Å; F248-Y251 HydrophobicContact CD1-CD2 4.44Å; F248-Y251 AromaticContact CD1-CE1 3.79Å; F248-Y251 HydrophobicContact CD1-CE1 3.79Å; F248-Y251 HydrophobicContact CD1-CE2 4.09Å; F248-Y251 HydrophobicContact CD1-CG 4.47Å; F248-Y251 AromaticContact CD1-CZ 3.74Å; F248-Y251 VanDerWaalsContact O-CD2 3.32Å; F248-Y251 WeakPolarHBondContact O-CD2 3.28Å; F248-Y251 PolarHBondContact O-N 2.87Å; I249-Y251 VanDerWaalsContact C-N 3.29Å; I249-Y251 PolarHBondContact O-N 2.96Å; Y251-F294 WeakPolarHBondContact CA-O 3.43Å; Y251-F294 WeakPolarHBondContact CB-O 3.42Å; Y251-F294 HydrophobicContact CD1-CB 4.23Å; Y251-F294 WeakPolarHBondContact CD1-O 3.43Å; Y251-F294 HydrophobicContact CE1-CB 4.12Å; Y251-F294 HydrophobicContact CE1-CD1 4.37Å; Y251-F294 HydrophobicContact CE2-CD1 4.36Å; Y251-F294 HydrophobicContact CG-CB 4.48Å; Y251-F294 AromaticContact CZ-CD1 3.9Å; Y251-V297 HydrophobicContact CG-CG2 4.26Å; Y251-Y323 VanDerWaalsContact CE1-O 3.26Å; Y251-Y323 WeakPolarHBondContact CE1-O 3.3Å; Y251-A325 HydrophobicContact CD1-CB 3.7Å; Y251-A325 HydrophobicContact CE1-CB 3.99Å
252	W	95.8	Very high	90	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-97.2	167.7	177.6	62	-76	0	0	0	110.2	I72 G73 F96 G254 I255 I292 Q293 F294 A295 G296 V297	I72-W252 HydrophobicContact CB-CB 3.95Å; I72-W252 HydrophobicContact CB-CD2 4.03Å; I72-W252 HydrophobicContact CB-CE3 4.29Å; I72-W252 HydrophobicContact CB-CG 3.87Å; I72-W252 HydrophobicContact CD1-CD2 3.65Å; I72-W252 HydrophobicContact CD1-CE3 3.39Å; I72-W252 HydrophobicContact CD1-CG 4.4Å; I72-W252 HydrophobicContact CD1-CH2 3.72Å; I72-W252 HydrophobicContact CD1-CZ2 3.96Å; I72-W252 HydrophobicContact CD1-CZ3 3.41Å; I72-W252 VanDerWaalsContact CD1-CZ3 3.41Å; I72-W252 HydrophobicContact CG1-CD2 4.4Å; I72-W252 HydrophobicContact CG1-CE3 4.42Å; I72-W252 HydrophobicContact CG2-CB 3.61Å; I72-W252 HydrophobicContact CG2-CD2 4.1Å; I72-W252 HydrophobicContact CG2-CE3 4.01Å; I72-W252 HydrophobicContact CG2-CG 3.96Å; G73-W252 WeakPolarHBondContact O-CB 3.26Å; F96-W252 HydrophobicContact CB-CH2 4.03Å; F96-W252 HydrophobicContact CB-CZ2 3.86Å; W252-G254 VanDerWaalsContact CE3-CA 3.46Å; W252-G254 WeakPolarHBondContact CZ3-O 3.47Å; W252-I255 HydrophobicContact CH2-CD1 4.36Å; W252-I255 HydrophobicContact CH2-CG1 3.73Å; W252-I255 HydrophobicContact CZ3-CG1 3.9Å; W252-I292 HydrophobicContact CH2-CG2 4.03Å; W252-I292 HydrophobicContact CZ2-CG2 3.78Å; W252-Q293 PolarHBondContact NE1-O 2.94Å; W252-F294 PolarHBondContact N-O 3.2Å; W252-F294 PolarHBondContact NE1-O 2.89Å; W252-A295 HydrophobicContact CD2-CB 3.91Å; W252-A295 VanDerWaalsContact CE2-CB 3.45Å; W252-A295 HydrophobicContact CE3-CB 4.47Å; W252-A295 HydrophobicContact CG-CB 4.4Å; W252-A295 HydrophobicContact CH2-CB 4.23Å; W252-A295 HydrophobicContact CZ2-CB 3.63Å; W252-A295 CarbonylContact O-C 3.43Å; W252-A295 VanDerWaalsContact O-C 3.31Å; W252-A295 VanDerWaalsContact O-CA 3.3Å; W252-A295 WeakPolarHBondContact O-CA 3.21Å; W252-G296 PolarHBondContact O-N 2.56Å; W252-V297 CarbonylContact C-O 3.54Å; W252-V297 PolarHBondContact O-N 2.8Å
253	K	95.2	Very high	89.9	Confident	36 Å²	36	45 Å²	45	16%	0.157	23%	0.234	C	C	.	.			trans	-70.8	-43.8	-171.3	179.3	178.4	173.3	-150.5	0	113	L76 E256 G296 V297 N298	L76-K253 WeakPolarHBondContact O-CB 3.43Å; L76-K253 PolarHBondContact O-N 2.9Å; K253-E256 IonicContact NZ-OE2 3.97Å; K253-E256 PolarHBondContact NZ-OE2 3.38Å; K253-G296 WeakPolarHBondContact O-CA 3.05Å; K253-G296 PolarHBondContact O-N 2.78Å; K253-V297 WeakPolarHBondContact CA-O 3.32Å; K253-V297 WeakPolarHBondContact CB-O 3.42Å; K253-V297 PolarHBondContact N-O 2.72Å; K253-N298 HydrophobicContact CB-CB 4.4Å; K253-N298 HydrophobicContact CD-CB 3.84Å; K253-N298 HydrophobicContact CG-CB 3.94Å
254	G	96.5	Very high	89.7	Confident	2 Å²	2	49 Å²	49	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	125.8	-179.1	-172.7	0	0	0	0	0	113.1	S77 I78 W252 A306	S77-G254 WeakPolarHBondContact CA-O 3.4Å; S77-G254 VanDerWaalsContact CB-O 3.32Å; S77-G254 WeakPolarHBondContact CB-O 3.43Å; I78-G254 PolarHBondContact N-O 2.99Å; I78-G254 VanDerWaalsContact N-O 3.13Å; W252-G254 VanDerWaalsContact CE3-CA 3.46Å; W252-G254 WeakPolarHBondContact CZ3-O 3.47Å; G254-A306 CarbonylContact C-O 3.57Å; G254-A306 VanDerWaalsContact CA-O 3.24Å; G254-A306 WeakPolarHBondContact CA-O 3.38Å
255	I	97.4	Very high	89.8	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.8	176.5	-51.8	-177.7	0	0	0	108.6	I78 V80 F96 W252 I257 F287 I292 A306 L307 S308	I78-I255 HydrophobicContact CB-CG1 4.36Å; I78-I255 HydrophobicContact CB-CG2 4.44Å; I78-I255 CarbonylContact O-C 3.51Å; I78-I255 WeakPolarHBondContact O-CA 3.32Å; V80-I255 HydrophobicContact CG2-CG2 4.15Å; F96-I255 HydrophobicContact CD1-CD1 4.25Å; F96-I255 HydrophobicContact CD2-CD1 4.33Å; F96-I255 HydrophobicContact CE1-CD1 4.31Å; F96-I255 HydrophobicContact CE2-CD1 4.38Å; F96-I255 HydrophobicContact CG-CD1 4.26Å; F96-I255 HydrophobicContact CZ-CD1 4.36Å; W252-I255 HydrophobicContact CH2-CD1 4.36Å; W252-I255 HydrophobicContact CH2-CG1 3.73Å; W252-I255 HydrophobicContact CZ3-CG1 3.9Å; I255-I257 HydrophobicContact CG2-CG1 4.35Å; I255-F287 HydrophobicContact CD1-CE1 3.9Å; I255-F287 HydrophobicContact CD1-CZ 4.19Å; I255-F287 HydrophobicContact CG2-CZ 4.23Å; I255-I292 HydrophobicContact CD1-CD1 3.87Å; I255-I292 HydrophobicContact CD1-CG1 4.48Å; I255-A306 PolarHBondContact N-O 2.91Å; I255-L307 HydrophobicContact CB-CD1 3.94Å; I255-L307 HydrophobicContact CG2-CD1 4.1Å; I255-S308 PolarHBondContact O-N 2.91Å
256	E	96.3	Very high	90.2	Very high	48 Å²	48	52.6 Å²	52.6	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	109.2	-175.9	-163.7	180	-179	0	0	110.5	I78 K79 V80 K253 I258	I78-E256 PolarHBondContact O-N 3.06Å; K79-E256 CarbonylContact C-O 3.55Å; K79-E256 WeakPolarHBondContact CA-O 3.46Å; V80-E256 PolarHBondContact N-O 3Å; K253-E256 IonicContact NZ-OE2 3.97Å; K253-E256 PolarHBondContact NZ-OE2 3.38Å; E256-I258 HydrophobicContact CG-CD1 3.78Å; E256-I258 HydrophobicContact CG-CG1 3.73Å; E256-I258 VanDerWaalsContact OE1-CD1 3.32Å; E256-I258 WeakPolarHBondContact OE1-CD1 3.47Å
257	I	95.3	Very high	90.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110.7	-179	-59.4	170.5	0	0	0	108.4	V80 I255 A260 F287 L307 S308 S309 T310 P314	V80-I257 HydrophobicContact CB-CB 4.48Å; V80-I257 HydrophobicContact CB-CG1 3.96Å; V80-I257 HydrophobicContact CG2-CG1 4.11Å; V80-I257 WeakPolarHBondContact O-CA 3.37Å; I255-I257 HydrophobicContact CG2-CG1 4.35Å; I257-A260 HydrophobicContact CG2-CB 3.4Å; I257-F287 HydrophobicContact CD1-CE2 3.91Å; I257-F287 HydrophobicContact CD1-CZ 4.47Å; I257-L307 HydrophobicContact CD1-CD1 4.13Å; I257-S308 PolarHBondContact N-O 2.8Å; I257-S309 VanDerWaalsContact O-CA 3.3Å; I257-S309 WeakPolarHBondContact O-CA 3.35Å; I257-S309 PolarHBondContact O-OG 2.97Å; I257-T310 PolarHBondContact O-N 3.22Å; I257-P314 HydrophobicContact CD1-CB 3.93Å; I257-P314 HydrophobicContact CD1-CG 3.49Å; I257-P314 VanDerWaalsContact CD1-CG 3.49Å
258	I	92.7	Very high	90.7	Very high	53 Å²	53	47.4 Å²	47.4	27%	0.272	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.4	-172.5	-46.7	175.2	0	0	0	109.6	V80 E256 A260 T310	V80-I258 PolarHBondContact O-N 3.05Å; E256-I258 HydrophobicContact CG-CD1 3.78Å; E256-I258 HydrophobicContact CG-CG1 3.73Å; E256-I258 VanDerWaalsContact OE1-CD1 3.32Å; E256-I258 WeakPolarHBondContact OE1-CD1 3.47Å; I258-A260 PolarHBondContact O-N 2.96Å; I258-T310 WeakPolarHBondContact CA-O 3.41Å; I258-T310 HydrophobicContact CG2-CG2 4.35Å
259	N	86.4	Confident	90.5	Very high	123 Å²	123	53.4 Å²	53.4	66%	0.658	28%	0.277	S	S	*	.	S	Bend	trans	47.3	38.8	-179.3	-69.5	-14.6	0	0	0	112	T310 P311	N259-T310 PolarHBondContact N-O 3.43Å; N259-P311 WeakPolarHBondContact OD1-CD 3.38Å
260	A	82.2	Confident	90.4	Very high	3 Å²	3	54.8 Å²	54.8	3%	0.025	28%	0.278	C	S	.	.			trans	-65.8	159.7	-178.4	0	0	0	0	0	111.3	K81 I257 I258 H262	K81-A260 WeakPolarHBondContact O-CA 3.47Å; I257-A260 HydrophobicContact CG2-CB 3.4Å; I258-A260 PolarHBondContact O-N 2.96Å; A260-H262 PolarHBondContact O-N 2.75Å
261	T	89	Confident	90.2	Very high	54 Å²	54	55.8 Å²	55.8	33%	0.331	28%	0.275	S	S	.	.			trans	-61.9	127.5	178.5	-54.2	0	0	0	0	109.1	G82 V83 A284	G82-T261 PolarHBondContact O-N 3.28Å; V83-T261 HydrophobicContact CG2-CG2 4.35Å; T261-A284 VanDerWaalsContact O-CB 3.23Å; T261-A284 WeakPolarHBondContact O-CB 3.42Å; T261-A284 PolarHBondContact O-N 2.83Å
262	H	88.5	Confident	89.6	Confident	79 Å²	79	55.6 Å²	55.6	37%	0.366	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	160.5	176	60.3	-83.7	0	0	0	109.7	A260 V282 Y312	A260-H262 PolarHBondContact O-N 2.75Å; H262-V282 CarbonylContact C-O 3.52Å; H262-V282 VanDerWaalsContact CA-O 3.22Å; H262-V282 WeakPolarHBondContact CA-O 3.38Å; H262-V282 WeakPolarHBondContact CB-O 3.39Å; H262-Y312 HydrophobicContact CB-CD2 4.08Å; H262-Y312 HydrophobicContact CB-CE2 4.48Å; H262-Y312 HydrophobicContact CB-CG 4.16Å; H262-Y312 AromaticContact CE1-CE2 3.86Å; H262-Y312 AromaticContact CG-CD2 3.95Å; H262-Y312 AromaticContact CG-CE2 3.9Å; H262-Y312 AromaticContact ND1-CD2 3.73Å; H262-Y312 AromaticContact ND1-CE2 3.6Å
263	K	88.7	Confident	89.1	Confident	133 Å²	133	55.7 Å²	55.7	58%	0.578	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.8	174.1	-65.5	-179.1	179.7	-178.4	0	108.3	V265 V282	K263-V265 HydrophobicContact CB-CG2 4.05Å; K263-V265 PolarHBondContact O-N 2.91Å; K263-V282 PolarHBondContact N-O 2.77Å; K263-V282 PolarHBondContact O-N 2.97Å
264	E	86.8	Confident	88.5	Confident	87 Å²	87	54.3 Å²	54.3	41%	0.407	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	118.9	168.7	-174.7	164	-165.7	0	0	108.1	R279 L280 K399	E264-R279 HydrophobicContact CG-CB 3.82Å; E264-R279 WeakPolarHBondContact OE1-CB 3.37Å; E264-L280 WeakPolarHBondContact CA-O 3.42Å; E264-K399 IonicContact OE1-NZ 3.14Å; E264-K399 PolarHBondContact OE1-NZ 3.34Å; E264-K399 IonicContact OE2-NZ 3.74Å; E264-K399 PolarHBondContact OE2-NZ 2.7Å
265	V	88.8	Confident	87.7	Confident	63 Å²	63	60.2 Å²	60.2	38%	0.382	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.6	-174.4	-175.7	0	0	0	0	109.2	K263 I267 R279 L280	K263-V265 HydrophobicContact CB-CG2 4.05Å; K263-V265 PolarHBondContact O-N 2.91Å; V265-I267 PolarHBondContact O-N 3.14Å; V265-R279 WeakPolarHBondContact O-CA 3.29Å; V265-L280 PolarHBondContact N-O 3.26Å; V265-L280 VanDerWaalsContact N-O 3.07Å; V265-L280 PolarHBondContact O-N 2.92Å
266	N	89.5	Confident	86.9	Confident	78 Å²	78	61.7 Å²	61.7	42%	0.417	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	116.3	167.3	-66.1	-8.6	0	0	0	108.3	P268 G276 R279	N266-P268 WeakPolarHBondContact O-CD 3.4Å; N266-G276 PolarHBondContact OD1-O 3.49Å; N266-R279 WeakPolarHBondContact OD1-CD 3.4Å; N266-R279 WeakPolarHBondContact OD1-CG 3.4Å; N266-R279 PolarHBondContact OD1-NE 3.24Å
267	I	89.1	Confident	86.4	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.026	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-71.1	125.9	-179.3	-59.4	-62.1	0	0	0	108.7	V265 W271 G273 T278 L280 V282 Y361	V265-I267 PolarHBondContact O-N 3.14Å; I267-W271 HydrophobicContact CD1-CE3 4.44Å; I267-W271 HydrophobicContact CG2-CB 3.5Å; I267-W271 HydrophobicContact CG2-CE3 4.4Å; I267-G273 WeakPolarHBondContact O-CA 3.45Å; I267-T278 HydrophobicContact CB-CG2 4.34Å; I267-T278 HydrophobicContact CG1-CG2 4.48Å; I267-T278 PolarHBondContact N-O 2.91Å; I267-L280 HydrophobicContact CD1-CB 4.06Å; I267-L280 HydrophobicContact CD1-CD1 4.41Å; I267-L280 HydrophobicContact CG1-CB 4.06Å; I267-L280 HydrophobicContact CG1-CD1 4.06Å; I267-L280 HydrophobicContact CG1-CG 4.18Å; I267-V282 HydrophobicContact CD1-CG2 3.79Å; I267-Y361 HydrophobicContact CG2-CE1 4.36Å; I267-Y361 WeakPolarHBondContact CG2-OH 3.21Å
268	P	88.7	Confident	86.1	Confident	59 Å²	59	60.4 Å²	60.4	38%	0.383	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-66.6	157	177.9	27.6	-35.1	0	0	0	110.8	N266 K270 W271 G272 G273	N266-P268 WeakPolarHBondContact O-CD 3.4Å; P268-K270 PolarHBondContact O-N 3.45Å; P268-W271 HydrophobicContact CG-CB 4.2Å; P268-W271 HydrophobicContact CG-CD2 3.79Å; P268-W271 HydrophobicContact CG-CE3 3.77Å; P268-W271 HydrophobicContact CG-CG 4.01Å; P268-W271 HydrophobicContact CG-CZ3 4.4Å; P268-W271 CarbonylContact O-C 3.49Å; P268-W271 WeakPolarHBondContact O-CA 3.15Å; P268-W271 PolarHBondContact O-N 3.16Å; P268-G272 PolarHBondContact O-N 2.84Å; P268-G273 PolarHBondContact O-N 2.92Å
269	E	84.2	Confident	85.9	Confident	134 Å²	134	62.8 Å²	62.8	63%	0.626	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-57.8	-33.2	177.4	-169.1	173.8	-164.2	0	0	112.6	W271 G272 G273 Q554	E269-W271 PolarHBondContact O-N 3.17Å; E269-W271 VanDerWaalsContact O-N 3.16Å; E269-G272 WeakPolarHBondContact O-CA 3.34Å; E269-G272 PolarHBondContact O-N 2.99Å; E269-G273 WeakPolarHBondContact CA-O 3.31Å; E269-Q554 PolarHBondContact OE1-NE2 3.09Å
270	K	84.7	Confident	86.1	Confident	143 Å²	143	57.8 Å²	57.8	62%	0.622	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-52.6	-36.4	171.3	-174.3	-175.9	178	-163.5	0	113.1	P268 G272 E341	P268-K270 PolarHBondContact O-N 3.45Å; K270-G272 VanDerWaalsContact C-N 3.35Å; K270-E341 WeakPolarHBondContact CE-OE1 3.47Å; K270-E341 IonicContact NZ-OE1 2.9Å; K270-E341 PolarHBondContact NZ-OE1 3Å; K270-E341 IonicContact NZ-OE2 3.17Å; K270-E341 PolarHBondContact NZ-OE2 2.99Å
271	W	85	Confident	86.4	Confident	45 Å²	45	59.4 Å²	59.4	17%	0.17	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-98.9	17.8	177.1	-63.3	-14.3	0	0	0	112	I267 P268 E269 G273 V315 I339 E341 Y361 R363	I267-W271 HydrophobicContact CD1-CE3 4.44Å; I267-W271 HydrophobicContact CG2-CB 3.5Å; I267-W271 HydrophobicContact CG2-CE3 4.4Å; P268-W271 HydrophobicContact CG-CB 4.2Å; P268-W271 HydrophobicContact CG-CD2 3.79Å; P268-W271 HydrophobicContact CG-CE3 3.77Å; P268-W271 HydrophobicContact CG-CG 4.01Å; P268-W271 HydrophobicContact CG-CZ3 4.4Å; P268-W271 CarbonylContact O-C 3.49Å; P268-W271 WeakPolarHBondContact O-CA 3.15Å; P268-W271 PolarHBondContact O-N 3.16Å; E269-W271 PolarHBondContact O-N 3.17Å; E269-W271 VanDerWaalsContact O-N 3.16Å; W271-G273 VanDerWaalsContact C-N 3.35Å; W271-V315 HydrophobicContact CH2-CG1 4.03Å; W271-V315 HydrophobicContact CH2-CG2 4.1Å; W271-V315 HydrophobicContact CZ2-CG1 3.99Å; W271-I339 HydrophobicContact CD2-CD1 3.71Å; W271-I339 HydrophobicContact CD2-CG1 4.4Å; W271-I339 HydrophobicContact CD2-CG2 4.22Å; W271-I339 HydrophobicContact CE3-CD1 3.41Å; W271-I339 VanDerWaalsContact CE3-CD1 3.41Å; W271-I339 HydrophobicContact CG-CD1 4.39Å; W271-I339 HydrophobicContact CH2-CD1 4.06Å; W271-I339 HydrophobicContact CZ2-CD1 4.31Å; W271-I339 HydrophobicContact CZ2-CG2 3.9Å; W271-I339 HydrophobicContact CZ3-CD1 3.61Å; W271-E341 PolarHBondContact NE1-OE1 2.87Å; W271-Y361 WeakPolarHBondContact O-CE1 3.42Å; W271-Y361 PolarHBondContact O-OH 2.83Å; W271-R363 PolarHBondContact O-NH1 3.29Å; W271-R363 PolarHBondContact O-NH2 2.9Å; W271-R363 VanDerWaalsContact O-NH2 3.16Å
272	G	82.1	Confident	86.5	Confident	21 Å²	21	57.4 Å²	57.4	22%	0.216	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	30.6	179.9	0	0	0	0	0	114.8	P268 E269 K270 Y361	P268-G272 PolarHBondContact O-N 2.84Å; E269-G272 WeakPolarHBondContact O-CA 3.34Å; E269-G272 PolarHBondContact O-N 2.99Å; K270-G272 VanDerWaalsContact C-N 3.35Å; G272-Y361 PolarHBondContact O-OH 2.89Å
273	G	85.3	Confident	86.6	Confident	1 Å²	1	54 Å²	54	1%	0.01	27%	0.268	C	S	.	.			trans	-78	160.3	158.2	0	0	0	0	0	110.4	I267 P268 E269 W271	I267-G273 WeakPolarHBondContact O-CA 3.45Å; P268-G273 PolarHBondContact O-N 2.92Å; E269-G273 WeakPolarHBondContact CA-O 3.31Å; W271-G273 VanDerWaalsContact C-N 3.35Å
274	T	82.2	Confident	86.8	Confident	8 Å²	8	48.1 Å²	48.1	5%	0.049	25%	0.245	C	C	.	.			trans	-134.3	136	-176.4	49.4	0	0	0	0	110.2	G276 N277 T278 Q445 Q554	T274-G276 PolarHBondContact O-N 3.23Å; T274-N277 PolarHBondContact O-N 3.18Å; T274-N277 VanDerWaalsContact O-N 3.15Å; T274-N277 PolarHBondContact O-OD1 3.21Å; T274-T278 PolarHBondContact N-OG1 2.87Å; T274-T278 VanDerWaalsContact N-OG1 3.07Å; T274-T278 PolarHBondContact OG1-OG1 3Å; T274-Q445 VanDerWaalsContact CB-NE2 3.29Å; T274-Q445 PolarHBondContact OG1-NE2 3.1Å; T274-Q554 HydrophobicContact CG2-CG 4.1Å
275	Y	79.4	Confident	87.2	Confident	126 Å²	126	44 Å²	44	49%	0.494	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	25.2	173.3	-60.4	-73.5	0	0	0	116.8	N277 Q442 Q445	Y275-N277 PolarHBondContact O-N 3.33Å; Y275-N277 VanDerWaalsContact O-N 3.14Å; Y275-Q442 HydrophobicContact CD2-CB 4.02Å; Y275-Q442 HydrophobicContact CD2-CG 3.82Å; Y275-Q442 HydrophobicContact CE2-CB 4.39Å; Y275-Q442 HydrophobicContact CG-CG 3.92Å; Y275-Q445 HydrophobicContact CD2-CG 4.03Å; Y275-Q445 HydrophobicContact CE2-CG 4.33Å
276	G	80.7	Confident	87.5	Confident	32 Å²	32	43.1 Å²	43.1	33%	0.33	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	-2.9	-178.4	0	0	0	0	0	116.3	N266 T274	N266-G276 PolarHBondContact OD1-O 3.49Å; T274-G276 PolarHBondContact O-N 3.23Å
277	N	85.4	Confident	87.8	Confident	17 Å²	17	39.4 Å²	39.4	9%	0.091	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-8.2	177.5	72.7	-1.6	0	0	0	113.1	T274 Y275 R279 F415 S440 Q445	T274-N277 PolarHBondContact O-N 3.18Å; T274-N277 VanDerWaalsContact O-N 3.15Å; T274-N277 PolarHBondContact O-OD1 3.21Å; Y275-N277 PolarHBondContact O-N 3.33Å; Y275-N277 VanDerWaalsContact O-N 3.14Å; N277-R279 PolarHBondContact O-N 2.99Å; N277-F415 PolarHBondContact O-N 3.06Å; N277-S440 PolarHBondContact ND2-OG 2.94Å; N277-Q445 PolarHBondContact ND2-NE2 3.48Å; N277-Q445 PolarHBondContact ND2-OE1 2.97Å; N277-Q445 PolarHBondContact OD1-NE2 2.81Å
278	T	89.3	Confident	88.2	Confident	4 Å²	4	42 Å²	42	3%	0.025	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-85.6	104.2	170.7	-47.7	0	0	0	0	110.6	I267 T274 F415	I267-T278 HydrophobicContact CB-CG2 4.34Å; I267-T278 HydrophobicContact CG1-CG2 4.48Å; I267-T278 PolarHBondContact N-O 2.91Å; T274-T278 PolarHBondContact N-OG1 2.87Å; T274-T278 VanDerWaalsContact N-OG1 3.07Å; T274-T278 PolarHBondContact OG1-OG1 3Å; T278-F415 CarbonylContact C-O 3.52Å; T278-F415 VanDerWaalsContact CA-O 3.26Å; T278-F415 WeakPolarHBondContact CA-O 3.46Å
279	R	88.9	Confident	88.6	Confident	104 Å²	104	41.9 Å²	41.9	39%	0.392	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.4	178.3	-60.1	-173.9	175.4	170.7	2.6	111.4	E264 V265 N266 N277 V414 F415	E264-R279 HydrophobicContact CG-CB 3.82Å; E264-R279 WeakPolarHBondContact OE1-CB 3.37Å; V265-R279 WeakPolarHBondContact O-CA 3.29Å; N266-R279 WeakPolarHBondContact OD1-CD 3.4Å; N266-R279 WeakPolarHBondContact OD1-CG 3.4Å; N266-R279 PolarHBondContact OD1-NE 3.24Å; N277-R279 PolarHBondContact O-N 2.99Å; R279-V414 HydrophobicContact CB-CG1 3.56Å; R279-V414 HydrophobicContact CG-CG1 3.72Å; R279-F415 PolarHBondContact N-O 3.39Å
280	L	89.2	Confident	89.3	Confident	17 Å²	17	35.5 Å²	35.5	9%	0.089	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.9	176.7	-70.1	172.1	0	0	0	110.6	E264 V265 I267 V282 P337 Y361 P416	E264-L280 WeakPolarHBondContact CA-O 3.42Å; V265-L280 PolarHBondContact N-O 3.26Å; V265-L280 VanDerWaalsContact N-O 3.07Å; V265-L280 PolarHBondContact O-N 2.92Å; I267-L280 HydrophobicContact CD1-CB 4.06Å; I267-L280 HydrophobicContact CD1-CD1 4.41Å; I267-L280 HydrophobicContact CG1-CB 4.06Å; I267-L280 HydrophobicContact CG1-CD1 4.06Å; I267-L280 HydrophobicContact CG1-CG 4.18Å; L280-V282 PolarHBondContact O-N 3.27Å; L280-P337 HydrophobicContact CB-CG 4.47Å; L280-P337 HydrophobicContact CD1-CB 4.28Å; L280-P337 HydrophobicContact CD1-CG 4.24Å; L280-Y361 HydrophobicContact CD1-CD1 3.89Å; L280-Y361 HydrophobicContact CD1-CD2 3.68Å; L280-Y361 HydrophobicContact CD1-CE1 3.86Å; L280-Y361 HydrophobicContact CD1-CE2 3.67Å; L280-Y361 HydrophobicContact CD1-CG 3.77Å; L280-P416 VanDerWaalsContact CD2-CD 3.48Å; L280-P416 HydrophobicContact CD2-CG 3.58Å
281	N	89.6	Confident	89.9	Confident	37 Å²	37	29.7 Å²	29.7	20%	0.198	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	108.2	170.3	-72.2	-14.6	0	0	0	109.5	Y312 P337	N281-Y312 HydrophobicContact CB-CD1 4.06Å; N281-Y312 HydrophobicContact CB-CE1 3.4Å; N281-Y312 VanDerWaalsContact CB-CE1 3.4Å; N281-Y312 PolarHBondContact ND2-OH 2.96Å; N281-Y312 VanDerWaalsContact ND2-OH 3.17Å; N281-Y312 WeakPolarHBondContact O-CD1 3.2Å; N281-P337 WeakPolarHBondContact O-CD 3.36Å
282	V	90.6	Very high	90.5	Very high	13 Å²	13	27.5 Å²	27.5	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.3	177.3	-175.3	0	0	0	0	109.1	H262 K263 I267 L280 A284 V315 P337	H262-V282 CarbonylContact C-O 3.52Å; H262-V282 VanDerWaalsContact CA-O 3.22Å; H262-V282 WeakPolarHBondContact CA-O 3.38Å; H262-V282 WeakPolarHBondContact CB-O 3.39Å; K263-V282 PolarHBondContact N-O 2.77Å; K263-V282 PolarHBondContact O-N 2.97Å; I267-V282 HydrophobicContact CD1-CG2 3.79Å; L280-V282 PolarHBondContact O-N 3.27Å; V282-A284 PolarHBondContact O-N 3.23Å; V282-V315 HydrophobicContact CG1-CG2 3.79Å; V282-P337 HydrophobicContact CG2-CG 3.95Å
283	S	91.3	Very high	91.3	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	137.3	174.3	-174.2	0	0	0	0	110.7	S285 P313	S283-S285 PolarHBondContact O-N 3.01Å; S283-S285 PolarHBondContact OG-N 2.9Å; S283-P313 WeakPolarHBondContact CB-O 3.34Å
284	A	92.3	Very high	91.8	Very high	11 Å²	11	29.6 Å²	29.6	9%	0.091	14%	0.143	C	C	.	.	S	Bend	trans	-72.8	-12.2	173.6	0	0	0	0	0	112.3	V83 H85 T261 V282	V83-A284 HydrophobicContact CG1-CB 4.16Å; V83-A284 WeakPolarHBondContact CG1-O 3.42Å; V83-A284 HydrophobicContact CG2-CB 3.77Å; H85-A284 PolarHBondContact CD2-O 2.88Å; H85-A284 PolarHBondContact NE2-O 3.44Å; H85-A284 VanDerWaalsContact NE2-O 3.15Å; T261-A284 VanDerWaalsContact O-CB 3.23Å; T261-A284 WeakPolarHBondContact O-CB 3.42Å; T261-A284 PolarHBondContact O-N 2.83Å; V282-A284 PolarHBondContact O-N 3.23Å
285	S	94.2	Very high	92.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.141	C	C	.	.			trans	-81.5	137	177.6	-64.2	0	0	0	0	111.8	I84 S283 P314 V315	I84-S285 PolarHBondContact N-OG 3.09Å; I84-S285 VanDerWaalsContact N-OG 3.09Å; I84-S285 CarbonylContact O-C 3.52Å; I84-S285 WeakPolarHBondContact O-CA 3.31Å; S283-S285 PolarHBondContact O-N 3.01Å; S283-S285 PolarHBondContact OG-N 2.9Å; S285-P314 WeakPolarHBondContact O-CA 3.33Å; S285-P314 WeakPolarHBondContact O-CB 3.39Å; S285-V315 PolarHBondContact O-N 2.87Å
286	I	94.9	Very high	93.2	Very high	44 Å²	44	23.2 Å²	23.2	23%	0.226	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.4	-174.8	-58.2	171.6	0	0	0	109.2	I84 A86	I84-I286 PolarHBondContact O-N 2.88Å; A86-I286 PolarHBondContact N-O 3.13Å
287	F	97	Very high	93.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.7	169.5	-65.7	-95.8	0	0	0	109.3	I84 A86 F96 I255 I257 V290 P314 V315 L316 C317 V319	I84-F287 HydrophobicContact CD1-CE1 4.32Å; I84-F287 HydrophobicContact CD1-CZ 4.23Å; I84-F287 HydrophobicContact CG2-CE1 4.47Å; I84-F287 HydrophobicContact CG2-CE2 3.82Å; I84-F287 HydrophobicContact CG2-CZ 3.58Å; A86-F287 HydrophobicContact CB-CD1 3.91Å; A86-F287 HydrophobicContact CB-CE1 4.25Å; A86-F287 CarbonylContact O-C 3.57Å; A86-F287 WeakPolarHBondContact O-CA 3.22Å; F96-F287 HydrophobicContact CE2-CE1 4.4Å; I255-F287 HydrophobicContact CD1-CE1 3.9Å; I255-F287 HydrophobicContact CD1-CZ 4.19Å; I255-F287 HydrophobicContact CG2-CZ 4.23Å; I257-F287 HydrophobicContact CD1-CE2 3.91Å; I257-F287 HydrophobicContact CD1-CZ 4.47Å; F287-V290 HydrophobicContact CB-CB 4.4Å; F287-V290 HydrophobicContact CB-CG2 4.11Å; F287-V290 HydrophobicContact CD1-CB 4.32Å; F287-V290 HydrophobicContact CD1-CG1 4.06Å; F287-V290 HydrophobicContact CD1-CG2 4.02Å; F287-P314 HydrophobicContact CD2-CB 3.89Å; F287-P314 HydrophobicContact CD2-CG 4.06Å; F287-P314 HydrophobicContact CE2-CB 4Å; F287-P314 HydrophobicContact CE2-CG 4.05Å; F287-V315 PolarHBondContact N-O 2.97Å; F287-V315 VanDerWaalsContact N-O 3.08Å; F287-L316 HydrophobicContact CB-CD2 3.75Å; F287-L316 HydrophobicContact CD2-CD2 3.79Å; F287-L316 HydrophobicContact CG-CD2 4.06Å; F287-C317 PolarHBondContact O-N 3.16Å; F287-V319 HydrophobicContact CB-CG2 3.82Å; F287-V319 WeakPolarHBondContact O-CG2 3.35Å
288	E	97.3	Very high	94.2	Very high	59 Å²	59	22.9 Å²	22.9	28%	0.276	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.9	-179.4	-161.2	-178.6	169.1	0	0	109.9	A86 K87 G88 C317	A86-E288 PolarHBondContact O-N 3.06Å; K87-E288 HydrophobicContact CB-CB 4.45Å; K87-E288 HydrophobicContact CG-CB 4.19Å; G88-E288 PolarHBondContact N-O 3.16Å; E288-C317 CarbonylContact C-O 3.39Å; E288-C317 WeakPolarHBondContact CA-O 3.26Å; E288-C317 HydrophobicContact CG-CB 3.97Å
289	Y	98	Very high	94.3	Very high	58 Å²	58	29.2 Å²	29.2	23%	0.227	13%	0.132	C	C	.	.	S	Bend	trans	53.8	53.6	-175.4	-62.8	-83.6	0	0	0	113.3	G88 R93 I94 C317 N318	G88-Y289 VanDerWaalsContact O-CD2 3.29Å; G88-Y289 WeakPolarHBondContact O-CD2 3.28Å; R93-Y289 WeakPolarHBondContact CA-O 3.17Å; I94-Y289 PolarHBondContact N-O 2.89Å; Y289-C317 PolarHBondContact N-O 2.85Å; Y289-N318 VanDerWaalsContact CA-O 3.3Å; Y289-N318 WeakPolarHBondContact CA-O 3.16Å; Y289-N318 HydrophobicContact CD1-CB 3.67Å; Y289-N318 HydrophobicContact CD2-CB 4.33Å; Y289-N318 HydrophobicContact CE1-CB 3.71Å; Y289-N318 HydrophobicContact CE2-CB 4.36Å; Y289-N318 WeakPolarHBondContact CE2-ND2 3.4Å; Y289-N318 HydrophobicContact CG-CB 3.98Å; Y289-N318 PolarHBondContact N-O 2.98Å; Y289-N318 PolarHBondContact OH-ND2 3.05Å
290	V	98.1	Very high	94.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.5	-177	175.8	0	0	0	0	110.8	A86 R93 I94 F96 F287 I292 V319 H320	A86-V290 HydrophobicContact CB-CG2 3.78Å; R93-V290 PolarHBondContact NH2-O 3Å; I94-V290 HydrophobicContact CB-CG2 4.16Å; I94-V290 CarbonylContact O-C 3.5Å; I94-V290 WeakPolarHBondContact O-CA 3.1Å; F96-V290 HydrophobicContact CD2-CG1 3.59Å; F96-V290 HydrophobicContact CE2-CG1 3.59Å; F287-V290 HydrophobicContact CB-CB 4.4Å; F287-V290 HydrophobicContact CB-CG2 4.11Å; F287-V290 HydrophobicContact CD1-CB 4.32Å; F287-V290 HydrophobicContact CD1-CG1 4.06Å; F287-V290 HydrophobicContact CD1-CG2 4.02Å; V290-I292 HydrophobicContact CG1-CG1 4.04Å; V290-V319 HydrophobicContact CB-CG1 4.46Å; V290-V319 HydrophobicContact CB-CG2 4.47Å; V290-V319 CarbonylContact O-C 3.5Å; V290-V319 VanDerWaalsContact O-CA 3.3Å; V290-V319 WeakPolarHBondContact O-CA 3.42Å; V290-V319 WeakPolarHBondContact O-CG1 3.35Å; V290-H320 PolarHBondContact O-N 3.42Å
291	D	97.7	Very high	94.4	Very high	20 Å²	20	31.8 Å²	31.8	11%	0.107	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.1	172.4	-58.6	-25.2	0	0	0	110.1	R93 I94 V95 F96 H320	R93-D291 IonicContact CZ-OD1 2.79Å; R93-D291 VanDerWaalsContact NE-CG 3.32Å; R93-D291 IonicContact NE-OD1 3.9Å; R93-D291 PolarHBondContact NE-OD1 2.98Å; R93-D291 IonicContact NE-OD2 3.1Å; R93-D291 PolarHBondContact NE-OD2 3.11Å; R93-D291 VanDerWaalsContact NE-OD2 3.14Å; R93-D291 IonicContact NH2-OD1 2.78Å; R93-D291 PolarHBondContact NH2-OD1 2.8Å; I94-D291 PolarHBondContact O-N 3.06Å; V95-D291 HydrophobicContact CG1-CB 4.34Å; V95-D291 HydrophobicContact CG2-CB 4.22Å; F96-D291 PolarHBondContact N-O 2.82Å; D291-H320 CarbonylContact C-O 3.46Å; D291-H320 VanDerWaalsContact CA-O 3.28Å; D291-H320 WeakPolarHBondContact CA-O 3.49Å; D291-H320 WeakPolarHBondContact OD1-CB 3.42Å
292	I	97.9	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113.4	176.4	-57.1	177.5	0	0	0	108.3	F96 W252 I255 V290 A295 A306 L307 H320 L321 A322	F96-I292 HydrophobicContact CB-CG1 4.46Å; F96-I292 HydrophobicContact CD2-CG1 4.26Å; W252-I292 HydrophobicContact CH2-CG2 4.03Å; W252-I292 HydrophobicContact CZ2-CG2 3.78Å; I255-I292 HydrophobicContact CD1-CD1 3.87Å; I255-I292 HydrophobicContact CD1-CG1 4.48Å; V290-I292 HydrophobicContact CG1-CG1 4.04Å; I292-A295 HydrophobicContact CG2-CB 4.4Å; I292-A306 HydrophobicContact CG2-CB 4.04Å; I292-L307 HydrophobicContact CD1-CB 4.44Å; I292-H320 PolarHBondContact N-O 2.65Å; I292-L321 HydrophobicContact CB-CD2 4.19Å; I292-L321 HydrophobicContact CB-CG 4.13Å; I292-L321 HydrophobicContact CD1-CD2 4.09Å; I292-L321 HydrophobicContact CD1-CG 4.48Å; I292-L321 WeakPolarHBondContact O-CA 3.38Å; I292-A322 PolarHBondContact O-N 2.8Å; I292-A322 VanDerWaalsContact O-N 3.12Å
293	Q	97.1	Very high	94.6	Very high	27 Å²	27	37 Å²	37	13%	0.126	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.1	-171.4	-61.6	176.7	-20.7	0	0	112.4	F96 W252 A295 A322	F96-Q293 PolarHBondContact O-N 2.88Å; W252-Q293 PolarHBondContact NE1-O 2.94Å; Q293-A295 PolarHBondContact O-N 3.18Å; Q293-A295 VanDerWaalsContact O-N 3.16Å; Q293-A322 WeakPolarHBondContact CA-O 3.32Å
294	F	96	Very high	94.7	Very high	39 Å²	39	38 Å²	38	17%	0.171	19%	0.185	C	C	.	.	S	Bend	trans	54.1	33.3	174.8	-47.9	-76.3	0	0	0	114.6	T97 K98 Y251 W252 Y323 N324	T97-F294 WeakPolarHBondContact OG1-CD2 3.48Å; K98-F294 HydrophobicContact CB-CB 4.17Å; K98-F294 HydrophobicContact CD-CB 3.88Å; K98-F294 HydrophobicContact CD-CG 4.22Å; K98-F294 HydrophobicContact CG-CB 3.86Å; K98-F294 HydrophobicContact CG-CD2 4.3Å; K98-F294 HydrophobicContact CG-CG 4.21Å; Y251-F294 WeakPolarHBondContact CA-O 3.43Å; Y251-F294 WeakPolarHBondContact CB-O 3.42Å; Y251-F294 HydrophobicContact CD1-CB 4.23Å; Y251-F294 WeakPolarHBondContact CD1-O 3.43Å; Y251-F294 HydrophobicContact CE1-CB 4.12Å; Y251-F294 HydrophobicContact CE1-CD1 4.37Å; Y251-F294 HydrophobicContact CE2-CD1 4.36Å; Y251-F294 HydrophobicContact CG-CB 4.48Å; Y251-F294 AromaticContact CZ-CD1 3.9Å; W252-F294 PolarHBondContact N-O 3.2Å; W252-F294 PolarHBondContact NE1-O 2.89Å; F294-Y323 WeakPolarHBondContact CA-O 3.13Å; F294-Y323 HydrophobicContact CE1-CG 4.32Å; F294-N324 PolarHBondContact N-OD1 2.76Å
295	A	96.5	Very high	94.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-96.1	173.1	174.4	0	0	0	0	0	111.4	W252 I292 Q293 A306 N324 A325	W252-A295 HydrophobicContact CD2-CB 3.91Å; W252-A295 VanDerWaalsContact CE2-CB 3.45Å; W252-A295 HydrophobicContact CE3-CB 4.47Å; W252-A295 HydrophobicContact CG-CB 4.4Å; W252-A295 HydrophobicContact CH2-CB 4.23Å; W252-A295 HydrophobicContact CZ2-CB 3.63Å; W252-A295 CarbonylContact O-C 3.43Å; W252-A295 VanDerWaalsContact O-C 3.31Å; W252-A295 VanDerWaalsContact O-CA 3.3Å; W252-A295 WeakPolarHBondContact O-CA 3.21Å; I292-A295 HydrophobicContact CG2-CB 4.4Å; Q293-A295 PolarHBondContact O-N 3.18Å; Q293-A295 VanDerWaalsContact O-N 3.16Å; A295-A306 HydrophobicContact CB-CB 3.71Å; A295-N324 WeakPolarHBondContact CB-OD1 3.47Å; A295-N324 PolarHBondContact N-OD1 3.14Å; A295-N324 CarbonylContact O-C 3.54Å; A295-N324 VanDerWaalsContact O-CA 3.29Å; A295-N324 WeakPolarHBondContact O-CA 3.08Å; A295-N324 WeakPolarHBondContact O-CB 3.48Å; A295-A325 PolarHBondContact O-N 3.24Å
296	G	95.3	Very high	95.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.			trans	113.2	17.7	169.1	0	0	0	0	0	116.3	W252 K253 H303 S304	W252-G296 PolarHBondContact O-N 2.56Å; K253-G296 WeakPolarHBondContact O-CA 3.05Å; K253-G296 PolarHBondContact O-N 2.78Å; G296-H303 CarbonylContact O-C 3.16Å; G296-H303 WeakPolarHBondContact O-CA 3.21Å; G296-S304 CarbonylContact C-O 3.47Å; G296-S304 WeakPolarHBondContact CA-O 3.1Å; G296-S304 PolarHBondContact O-N 3.35Å
297	V	94.8	Very high	95.2	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.042	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-127.7	122	177.8	178.5	0	0	0	0	110.5	G75 V243 F248 Y251 W252 K253 A325	G75-V297 WeakPolarHBondContact CA-O 3.43Å; V243-V297 HydrophobicContact CB-CG1 4.33Å; V243-V297 HydrophobicContact CG1-CB 4.5Å; V243-V297 HydrophobicContact CG1-CG1 4.03Å; V243-V297 HydrophobicContact CG1-CG2 3.66Å; V243-V297 HydrophobicContact CG2-CG1 4.13Å; V243-V297 HydrophobicContact CG2-CG2 4.12Å; F248-V297 HydrophobicContact CB-CG2 3.94Å; Y251-V297 HydrophobicContact CG-CG2 4.26Å; W252-V297 CarbonylContact C-O 3.54Å; W252-V297 PolarHBondContact O-N 2.8Å; K253-V297 WeakPolarHBondContact CA-O 3.32Å; K253-V297 WeakPolarHBondContact CB-O 3.42Å; K253-V297 PolarHBondContact N-O 2.72Å; V297-A325 HydrophobicContact CG2-CB 3.69Å
298	N	92.8	Very high	95.2	Very high	35 Å²	35	36.9 Å²	36.9	19%	0.187	18%	0.181	C	C	.	.			trans	-86.7	168.3	177.6	76.4	11.7	0	0	0	113.1	K253 S300 N301 Y302	K253-N298 HydrophobicContact CB-CB 4.4Å; K253-N298 HydrophobicContact CD-CB 3.84Å; K253-N298 HydrophobicContact CG-CB 3.94Å; N298-S300 PolarHBondContact O-N 3.18Å; N298-S300 VanDerWaalsContact O-N 3.1Å; N298-S300 VanDerWaalsContact OD1-C 3.24Å; N298-S300 WeakPolarHBondContact OD1-CA 3.45Å; N298-S300 PolarHBondContact OD1-N 2.82Å; N298-N301 PolarHBondContact O-N 3Å; N298-N301 PolarHBondContact OD1-N 3.21Å; N298-Y302 PolarHBondContact N-O 3.35Å; N298-Y302 PolarHBondContact OD1-N 3.38Å; N298-Y302 PolarHBondContact OD1-O 2.8Å
299	R	90.7	Very high	95.2	Very high	137 Å²	137	34 Å²	34	52%	0.517	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-27.8	175.2	-72.4	-171.6	175	-178.3	-3.5	114.5	H51 D52 G75 L76 N301	H51-R299 PolarHBondContact O-NH2 2.81Å; D52-R299 IonicContact OD1-NH1 3.16Å; D52-R299 IonicContact OD1-NH2 3.93Å; D52-R299 PolarHBondContact OD1-NH2 2.9Å; D52-R299 VanDerWaalsContact OD1-NH2 3.1Å; G75-R299 WeakPolarHBondContact O-CG 3.24Å; G75-R299 PolarHBondContact O-N 2.88Å; L76-R299 VanDerWaalsContact CD2-NE 3.34Å; R299-N301 VanDerWaalsContact C-N 3.28Å; R299-N301 PolarHBondContact O-N 2.95Å
300	S	90.3	Very high	95	Very high	84 Å²	84	33.5 Å²	33.5	59%	0.587	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	11.2	178.6	-54.4	0	0	0	0	113.3	N298 Y302	N298-S300 PolarHBondContact O-N 3.18Å; N298-S300 VanDerWaalsContact O-N 3.1Å; N298-S300 VanDerWaalsContact OD1-C 3.24Å; N298-S300 WeakPolarHBondContact OD1-CA 3.45Å; N298-S300 PolarHBondContact OD1-N 2.82Å; S300-Y302 VanDerWaalsContact C-N 3.31Å; S300-Y302 VanDerWaalsContact O-CD2 3.23Å; S300-Y302 WeakPolarHBondContact O-CD2 3.42Å; S300-Y302 PolarHBondContact O-N 2.74Å
301	N	89.2	Confident	94.7	Very high	91 Å²	91	34 Å²	34	49%	0.487	17%	0.174	S	C	.	.	S	Bend	trans	55.7	41.2	-175.9	-64.3	-37.8	0	0	0	113.7	G242 V243 N298 R299	G242-N301 CarbonylContact C-O 3.5Å; G242-N301 VanDerWaalsContact CA-O 3.29Å; G242-N301 WeakPolarHBondContact CA-O 3.42Å; V243-N301 WeakPolarHBondContact CB-O 3.3Å; V243-N301 WeakPolarHBondContact CG2-O 3.37Å; V243-N301 PolarHBondContact N-O 3.22Å; N298-N301 PolarHBondContact O-N 3Å; N298-N301 PolarHBondContact OD1-N 3.21Å; R299-N301 VanDerWaalsContact C-N 3.28Å; R299-N301 PolarHBondContact O-N 2.95Å
302	Y	91.6	Very high	94.5	Very high	124 Å²	124	34 Å²	34	49%	0.486	17%	0.172	S	C	.	.			trans	-112.1	148.3	167.1	-71	-89.5	0	0	0	111.1	N298 S300	N298-Y302 PolarHBondContact N-O 3.35Å; N298-Y302 PolarHBondContact OD1-N 3.38Å; N298-Y302 PolarHBondContact OD1-O 2.8Å; S300-Y302 VanDerWaalsContact C-N 3.31Å; S300-Y302 VanDerWaalsContact O-CD2 3.23Å; S300-Y302 WeakPolarHBondContact O-CD2 3.42Å; S300-Y302 PolarHBondContact O-N 2.74Å
303	H	93.1	Very high	94.3	Very high	34 Å²	34	34.2 Å²	34.2	16%	0.157	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-62.5	138.9	176.8	-75.9	-71.9	0	0	0	111.1	G177 Y178 G242 V243 F248 G296 A325 H326	G177-H303 PolarHBondContact O-NE2 2.89Å; Y178-H303 AromaticContact CD1-CD2 3.49Å; Y178-H303 VanDerWaalsContact CD1-CD2 3.49Å; Y178-H303 WeakPolarHBondContact CD1-CD2 3.36Å; Y178-H303 AromaticContact CD1-NE2 3.6Å; Y178-H303 AromaticContact CE1-CD2 3.38Å; Y178-H303 WeakPolarHBondContact CE1-CD2 3.5Å; Y178-H303 AromaticContact CE1-NE2 3.68Å; G242-H303 PolarHBondContact O-CD2 2.85Å; G242-H303 PolarHBondContact O-NE2 3.49Å; V243-H303 HydrophobicContact CG2-CB 4.36Å; V243-H303 VanDerWaalsContact CG2-N 3.29Å; F248-H303 AromaticContact CE2-CE1 3.99Å; G296-H303 CarbonylContact O-C 3.16Å; G296-H303 WeakPolarHBondContact O-CA 3.21Å; H303-A325 PolarHBondContact CE1-O 3.25Å; H303-A325 VanDerWaalsContact CE1-O 3.23Å; H303-A325 PolarHBondContact ND1-O 3.04Å; H303-H326 HydrophobicContact CB-CB 4.05Å; H303-H326 AromaticContact CG-ND1 4Å
304	S	94.3	Very high	94.3	Very high	29 Å²	29	33 Å²	33	20%	0.203	17%	0.168	C	C	.	.			trans	-139.8	158	177.1	-155.7	0	0	0	0	109.8	G296 H326	G296-S304 CarbonylContact C-O 3.47Å; G296-S304 WeakPolarHBondContact CA-O 3.1Å; G296-S304 PolarHBondContact O-N 3.35Å; S304-H326 VanDerWaalsContact O-CB 3.23Å; S304-H326 WeakPolarHBondContact O-CB 3.42Å
305	A	96.3	Very high	94.2	Very high	6 Å²	6	31.7 Å²	31.7	5%	0.05	16%	0.163	C	C	.	.			trans	-78.3	145	177.4	0	0	0	0	0	110.7	L307 H327 N330	A305-L307 VanDerWaalsContact C-N 3.31Å; A305-L307 PolarHBondContact O-N 3.26Å; A305-H327 CarbonylContact C-O 3.55Å; A305-H327 VanDerWaalsContact CA-O 3.24Å; A305-H327 WeakPolarHBondContact CA-O 3.26Å; A305-H327 HydrophobicContact CB-CB 3.95Å; A305-N330 HydrophobicContact CB-CB 3.45Å; A305-N330 VanDerWaalsContact CB-CB 3.45Å
306	A	97.4	Very high	94.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-62.1	-40.3	178	0	0	0	0	0	112.1	G254 I255 I292 A295 L321 N324 H327 A328	G254-A306 CarbonylContact C-O 3.57Å; G254-A306 VanDerWaalsContact CA-O 3.24Å; G254-A306 WeakPolarHBondContact CA-O 3.38Å; I255-A306 PolarHBondContact N-O 2.91Å; I292-A306 HydrophobicContact CG2-CB 4.04Å; A295-A306 HydrophobicContact CB-CB 3.71Å; A306-L321 HydrophobicContact CB-CD2 4.31Å; A306-N324 HydrophobicContact CB-CB 4.02Å; A306-N324 VanDerWaalsContact CB-CG 3.49Å; A306-N324 WeakPolarHBondContact CB-OD1 3.31Å; A306-H327 PolarHBondContact N-O 3.06Å; A306-A328 WeakPolarHBondContact CB-O 3.45Å
307	L	97.8	Very high	94.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.7	169.5	178.2	63.8	0	0	0	109.9	I255 I257 I292 A305 P314 L316 L321 A328 I329 N330 F331	I255-L307 HydrophobicContact CB-CD1 3.94Å; I255-L307 HydrophobicContact CG2-CD1 4.1Å; I257-L307 HydrophobicContact CD1-CD1 4.13Å; I292-L307 HydrophobicContact CD1-CB 4.44Å; A305-L307 VanDerWaalsContact C-N 3.31Å; A305-L307 PolarHBondContact O-N 3.26Å; L307-P314 HydrophobicContact CD2-CG 4.47Å; L307-L316 HydrophobicContact CD2-CD1 3.75Å; L307-L316 HydrophobicContact CD2-CD2 3.82Å; L307-L316 HydrophobicContact CD2-CG 4.41Å; L307-L321 HydrophobicContact CB-CD2 4.05Å; L307-A328 PolarHBondContact N-O 2.86Å; L307-I329 HydrophobicContact CD2-CG1 4.45Å; L307-I329 CarbonylContact O-C 3.57Å; L307-I329 WeakPolarHBondContact O-CA 3.46Å; L307-N330 PolarHBondContact O-N 3.26Å; L307-F331 HydrophobicContact CD2-CE1 4.37Å; L307-F331 HydrophobicContact CG-CE1 4.42Å
308	S	97	Very high	94.4	Very high	24 Å²	24	33.8 Å²	33.8	17%	0.168	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138	177.6	-177.6	0	0	0	0	110.6	I255 I257 N330	I255-S308 PolarHBondContact O-N 2.91Å; I257-S308 PolarHBondContact N-O 2.8Å; S308-N330 VanDerWaalsContact CA-O 3.28Å; S308-N330 WeakPolarHBondContact CA-O 3.06Å
309	S	96.4	Very high	94.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143	175	-172.4	0	0	0	0	114.6	I257 Y312 P313 N330 K332	I257-S309 VanDerWaalsContact O-CA 3.3Å; I257-S309 WeakPolarHBondContact O-CA 3.35Å; I257-S309 PolarHBondContact O-OG 2.97Å; S309-Y312 PolarHBondContact OG-O 2.85Å; S309-Y312 VanDerWaalsContact OG-O 3.1Å; S309-P313 WeakPolarHBondContact OG-CA 3.29Å; S309-N330 PolarHBondContact N-O 3.49Å; S309-K332 PolarHBondContact O-N 3.25Å
310	T	94.8	Very high	95	Very high	46 Å²	46	27.4 Å²	27.4	28%	0.282	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	143.1	172	-169.2	0	0	0	0	112.1	I257 I258 N259 K332	I257-T310 PolarHBondContact O-N 3.22Å; I258-T310 WeakPolarHBondContact CA-O 3.41Å; I258-T310 HydrophobicContact CG2-CG2 4.35Å; N259-T310 PolarHBondContact N-O 3.43Å; T310-K332 VanDerWaalsContact CB-O 3.29Å; T310-K332 WeakPolarHBondContact CB-O 3.48Å; T310-K332 PolarHBondContact OG1-O 2.83Å
311	P	91.3	Very high	95.4	Very high	12 Å²	12	23.4 Å²	23.4	8%	0.078	12%	0.122	C	C	.	.	S	Bend	cis	-86.9	-5.5	-16.1	34.7	-33.8	0	0	0	113.2	N259 I334 R335	N259-P311 WeakPolarHBondContact OD1-CD 3.38Å; P311-I334 CarbonylContact O-C 3.6Å; P311-I334 WeakPolarHBondContact O-CA 3.14Å; P311-I334 VanDerWaalsContact O-CB 3.32Å; P311-I334 WeakPolarHBondContact O-CB 3.28Å; P311-R335 HydrophobicContact CB-CB 4.29Å; P311-R335 HydrophobicContact CB-CG 4.05Å; P311-R335 PolarHBondContact O-N 3.38Å
312	Y	93.2	Very high	95.8	Very high	20 Å²	20	19.1 Å²	19.1	8%	0.078	10%	0.099	C	C	.	.	S	Bend	trans	-112.7	100	-177.4	-63.3	-67.9	0	0	0	110.9	H262 N281 S309 R335	H262-Y312 HydrophobicContact CB-CD2 4.08Å; H262-Y312 HydrophobicContact CB-CE2 4.48Å; H262-Y312 HydrophobicContact CB-CG 4.16Å; H262-Y312 AromaticContact CE1-CE2 3.86Å; H262-Y312 AromaticContact CG-CD2 3.95Å; H262-Y312 AromaticContact CG-CE2 3.9Å; H262-Y312 AromaticContact ND1-CD2 3.73Å; H262-Y312 AromaticContact ND1-CE2 3.6Å; N281-Y312 HydrophobicContact CB-CD1 4.06Å; N281-Y312 HydrophobicContact CB-CE1 3.4Å; N281-Y312 VanDerWaalsContact CB-CE1 3.4Å; N281-Y312 PolarHBondContact ND2-OH 2.96Å; N281-Y312 VanDerWaalsContact ND2-OH 3.17Å; N281-Y312 WeakPolarHBondContact O-CD1 3.2Å; S309-Y312 PolarHBondContact OG-O 2.85Å; S309-Y312 VanDerWaalsContact OG-O 3.1Å; Y312-R335 HydrophobicContact CE1-CB 4.15Å
313	P	95.2	Very high	96	Very high	3 Å²	3	16 Å²	16	2%	0.019	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-68.5	148.9	179.7	29.3	-33.6	0	0	0	112.3	S283 S309 F331 I334 P337 A338	S283-P313 WeakPolarHBondContact CB-O 3.34Å; S309-P313 WeakPolarHBondContact OG-CA 3.29Å; P313-F331 HydrophobicContact CB-CD1 3.85Å; P313-F331 HydrophobicContact CB-CD2 3.52Å; P313-F331 HydrophobicContact CB-CE1 3.78Å; P313-F331 HydrophobicContact CB-CE2 3.44Å; P313-F331 VanDerWaalsContact CB-CE2 3.44Å; P313-F331 HydrophobicContact CB-CG 3.73Å; P313-F331 HydrophobicContact CB-CZ 3.58Å; P313-F331 HydrophobicContact CG-CD2 4.07Å; P313-F331 HydrophobicContact CG-CE2 4.24Å; P313-F331 HydrophobicContact CG-CG 4.46Å; P313-I334 HydrophobicContact CG-CD1 4.25Å; P313-I334 HydrophobicContact CG-CG2 4.1Å; P313-P337 VanDerWaalsContact CG-O 3.32Å; P313-P337 WeakPolarHBondContact CG-O 3.4Å; P313-A338 HydrophobicContact CG-CB 4.24Å
314	P	95.6	Very high	96.2	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-68.7	157.4	173.2	33.8	-38.4	0	0	0	111.1	I257 S285 F287 L307 L316 F331	I257-P314 HydrophobicContact CD1-CB 3.93Å; I257-P314 HydrophobicContact CD1-CG 3.49Å; I257-P314 VanDerWaalsContact CD1-CG 3.49Å; S285-P314 WeakPolarHBondContact O-CA 3.33Å; S285-P314 WeakPolarHBondContact O-CB 3.39Å; F287-P314 HydrophobicContact CD2-CB 3.89Å; F287-P314 HydrophobicContact CD2-CG 4.06Å; F287-P314 HydrophobicContact CE2-CB 4Å; F287-P314 HydrophobicContact CE2-CG 4.05Å; L307-P314 HydrophobicContact CD2-CG 4.47Å; P314-L316 HydrophobicContact CB-CD2 4.43Å; P314-L316 HydrophobicContact CG-CD2 3.92Å; P314-F331 HydrophobicContact CG-CZ 4.5Å
315	V	93.9	Very high	96.2	Very high	12 Å²	12	13 Å²	13	7%	0.073	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.6	168.2	-178.3	0	0	0	0	108.5	W271 V282 S285 F287 I339	W271-V315 HydrophobicContact CH2-CG1 4.03Å; W271-V315 HydrophobicContact CH2-CG2 4.1Å; W271-V315 HydrophobicContact CZ2-CG1 3.99Å; V282-V315 HydrophobicContact CG1-CG2 3.79Å; S285-V315 PolarHBondContact O-N 2.87Å; F287-V315 PolarHBondContact N-O 2.97Å; F287-V315 VanDerWaalsContact N-O 3.08Å; V315-I339 HydrophobicContact CG1-CB 4.35Å; V315-I339 HydrophobicContact CG1-CG2 4.05Å; V315-I339 HydrophobicContact CG2-CD1 4.3Å
316	L	97.1	Very high	96.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.6	-179.9	-56.2	-176.2	0	0	0	109.9	F287 L307 P314 V319 I329 F331 I339 L340 E341 V343	F287-L316 HydrophobicContact CB-CD2 3.75Å; F287-L316 HydrophobicContact CD2-CD2 3.79Å; F287-L316 HydrophobicContact CG-CD2 4.06Å; L307-L316 HydrophobicContact CD2-CD1 3.75Å; L307-L316 HydrophobicContact CD2-CD2 3.82Å; L307-L316 HydrophobicContact CD2-CG 4.41Å; P314-L316 HydrophobicContact CB-CD2 4.43Å; P314-L316 HydrophobicContact CG-CD2 3.92Å; L316-V319 HydrophobicContact CB-CB 4.48Å; L316-V319 HydrophobicContact CB-CG2 3.99Å; L316-V319 HydrophobicContact CD2-CG2 4.28Å; L316-I329 HydrophobicContact CD1-CD1 3.53Å; L316-I329 HydrophobicContact CD1-CG1 4.47Å; L316-F331 HydrophobicContact CD1-CZ 4.11Å; L316-I339 PolarHBondContact N-O 3.33Å; L316-I339 VanDerWaalsContact N-O 3.11Å; L316-L340 HydrophobicContact CB-CG 4.34Å; L316-L340 HydrophobicContact CD1-CD1 4.33Å; L316-L340 HydrophobicContact CD1-CG 4.1Å; L316-E341 PolarHBondContact O-N 2.81Å; L316-V343 HydrophobicContact CB-CG2 3.75Å
317	C	97.1	Very high	96.1	Very high	18 Å²	18	14.2 Å²	14.2	12%	0.122	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124	178.9	-64.2	0	0	0	0	110.3	F287 E288 Y289 V319 E341	F287-C317 PolarHBondContact O-N 3.16Å; E288-C317 CarbonylContact C-O 3.39Å; E288-C317 WeakPolarHBondContact CA-O 3.26Å; E288-C317 HydrophobicContact CG-CB 3.97Å; Y289-C317 PolarHBondContact N-O 2.85Å; C317-V319 VanDerWaalsContact C-N 3.28Å; C317-V319 PolarHBondContact O-N 3.19Å; C317-E341 CarbonylContact C-O 3.45Å; C317-E341 VanDerWaalsContact CA-O 3.24Å; C317-E341 WeakPolarHBondContact CA-O 3.38Å
318	N	97.9	Very high	96.1	Very high	34 Å²	34	14.2 Å²	14.2	18%	0.182	7%	0.074	C	C	.	.	S	Bend	trans	55.8	39.1	-179.7	-56.3	-56.6	0	0	0	113.4	R93 Y289 E341 N342	R93-N318 PolarHBondContact NH1-O 3.34Å; R93-N318 PolarHBondContact NH2-O 2.91Å; Y289-N318 VanDerWaalsContact CA-O 3.3Å; Y289-N318 WeakPolarHBondContact CA-O 3.16Å; Y289-N318 HydrophobicContact CD1-CB 3.67Å; Y289-N318 HydrophobicContact CD2-CB 4.33Å; Y289-N318 HydrophobicContact CE1-CB 3.71Å; Y289-N318 HydrophobicContact CE2-CB 4.36Å; Y289-N318 WeakPolarHBondContact CE2-ND2 3.4Å; Y289-N318 HydrophobicContact CG-CB 3.98Å; Y289-N318 PolarHBondContact N-O 2.98Å; Y289-N318 PolarHBondContact OH-ND2 3.05Å; N318-E341 PolarHBondContact N-O 2.84Å; N318-N342 CarbonylContact C-O 3.45Å; N318-N342 WeakPolarHBondContact CA-O 3.31Å; N318-N342 PolarHBondContact N-O 3.46Å; N318-N342 WeakPolarHBondContact OD1-CB 3.42Å; N318-N342 PolarHBondContact OD1-ND2 3.03Å
319	V	98.2	Very high	96.1	Very high	1 Å²	1	13 Å²	13	1%	0.006	7%	0.066	C	C	.	.			trans	-98.3	137.6	-176.6	-177.6	0	0	0	0	110.6	F287 V290 L316 C317 L321 N342 V343 T344	F287-V319 HydrophobicContact CB-CG2 3.82Å; F287-V319 WeakPolarHBondContact O-CG2 3.35Å; V290-V319 HydrophobicContact CB-CG1 4.46Å; V290-V319 HydrophobicContact CB-CG2 4.47Å; V290-V319 CarbonylContact O-C 3.5Å; V290-V319 VanDerWaalsContact O-CA 3.3Å; V290-V319 WeakPolarHBondContact O-CA 3.42Å; V290-V319 WeakPolarHBondContact O-CG1 3.35Å; L316-V319 HydrophobicContact CB-CB 4.48Å; L316-V319 HydrophobicContact CB-CG2 3.99Å; L316-V319 HydrophobicContact CD2-CG2 4.28Å; C317-V319 VanDerWaalsContact C-N 3.28Å; C317-V319 PolarHBondContact O-N 3.19Å; V319-L321 HydrophobicContact CG1-CD1 3.67Å; V319-L321 HydrophobicContact CG1-CG 4.35Å; V319-N342 PolarHBondContact N-O 2.95Å; V319-V343 HydrophobicContact CB-CG2 4.34Å; V319-V343 CarbonylContact O-C 3.6Å; V319-V343 VanDerWaalsContact O-CA 3.27Å; V319-V343 WeakPolarHBondContact O-CA 3.41Å; V319-T344 PolarHBondContact O-N 2.94Å
320	H	98	Very high	96.2	Very high	37 Å²	37	14.7 Å²	14.7	17%	0.171	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.7	178.3	176.9	73	0	0	0	110.8	V290 D291 I292 A322 T344 E346	V290-H320 PolarHBondContact O-N 3.42Å; D291-H320 CarbonylContact C-O 3.46Å; D291-H320 VanDerWaalsContact CA-O 3.28Å; D291-H320 WeakPolarHBondContact CA-O 3.49Å; D291-H320 WeakPolarHBondContact OD1-CB 3.42Å; I292-H320 PolarHBondContact N-O 2.65Å; H320-A322 WeakPolarHBondContact NE2-CB 3.37Å; H320-T344 CarbonylContact C-O 3.58Å; H320-T344 WeakPolarHBondContact CA-O 3.37Å; H320-T344 WeakPolarHBondContact ND1-CB 3.48Å; H320-T344 WeakPolarHBondContact ND1-CG2 3.24Å; H320-E346 IonicContact CE1-OE1 3.56Å; H320-E346 PolarHBondContact CE1-OE1 2.86Å; H320-E346 VanDerWaalsContact CE1-OE1 3.27Å; H320-E346 IonicContact NE2-OE1 2.68Å
321	L	98.3	Very high	96.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	113.4	178.7	-59	94.7	0	0	0	109.8	I292 A306 L307 V319 A328 I329 V343 T344 T345 E346 N348	I292-L321 HydrophobicContact CB-CD2 4.19Å; I292-L321 HydrophobicContact CB-CG 4.13Å; I292-L321 HydrophobicContact CD1-CD2 4.09Å; I292-L321 HydrophobicContact CD1-CG 4.48Å; I292-L321 WeakPolarHBondContact O-CA 3.38Å; A306-L321 HydrophobicContact CB-CD2 4.31Å; L307-L321 HydrophobicContact CB-CD2 4.05Å; V319-L321 HydrophobicContact CG1-CD1 3.67Å; V319-L321 HydrophobicContact CG1-CG 4.35Å; L321-A328 HydrophobicContact CB-CB 3.72Å; L321-A328 HydrophobicContact CD2-CB 4.13Å; L321-A328 WeakPolarHBondContact CD2-O 2.83Å; L321-A328 HydrophobicContact CG-CB 4.47Å; L321-I329 HydrophobicContact CD1-CD1 3.89Å; L321-I329 HydrophobicContact CD1-CG1 4.05Å; L321-I329 HydrophobicContact CD2-CG1 3.88Å; L321-V343 HydrophobicContact CD1-CG1 4.13Å; L321-T344 PolarHBondContact N-O 2.84Å; L321-T345 HydrophobicContact CB-CG2 4.4Å; L321-T345 HydrophobicContact CD1-CG2 4.25Å; L321-T345 VanDerWaalsContact O-CA 3.3Å; L321-T345 WeakPolarHBondContact O-CA 3.35Å; L321-E346 PolarHBondContact O-N 2.85Å; L321-N348 PolarHBondContact O-ND2 2.93Å
322	A	97.4	Very high	96.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.2	-172.6	0	0	0	0	0	114	I292 Q293 H320 N324 E346	I292-A322 PolarHBondContact O-N 2.8Å; I292-A322 VanDerWaalsContact O-N 3.12Å; Q293-A322 WeakPolarHBondContact CA-O 3.32Å; H320-A322 WeakPolarHBondContact NE2-CB 3.37Å; A322-N324 PolarHBondContact N-ND2 2.8Å; A322-N324 PolarHBondContact O-N 2.93Å; A322-N324 PolarHBondContact O-ND2 2.97Å; A322-E346 VanDerWaalsContact CA-O 3.24Å; A322-E346 WeakPolarHBondContact CA-O 3.38Å; A322-E346 HydrophobicContact CB-CG 3.74Å
323	Y	96	Very high	96.4	Very high	59 Å²	59	23 Å²	23	23%	0.231	10%	0.102	C	C	.	.	S	Bend	trans	55.6	36	174.4	-50	-75.5	0	0	0	113.8	L119 Y251 F294 E346 N347	L119-Y323 HydrophobicContact CD2-CE1 4.31Å; L119-Y323 WeakPolarHBondContact CD2-OH 3.49Å; Y251-Y323 VanDerWaalsContact CE1-O 3.26Å; Y251-Y323 WeakPolarHBondContact CE1-O 3.3Å; F294-Y323 WeakPolarHBondContact CA-O 3.13Å; F294-Y323 HydrophobicContact CE1-CG 4.32Å; Y323-E346 PolarHBondContact N-O 3.08Å; Y323-N347 WeakPolarHBondContact CA-O 3.35Å; Y323-N347 HydrophobicContact CD1-CB 3.87Å; Y323-N347 HydrophobicContact CE1-CB 3.88Å; Y323-N347 WeakPolarHBondContact CE1-ND2 3.42Å
324	N	96.8	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.102	C	C	.	.			trans	-87.8	146.5	177.8	-58.5	-70.6	0	0	0	111.2	F294 A295 A306 A322 H326 N348 Y349	F294-N324 PolarHBondContact N-OD1 2.76Å; A295-N324 WeakPolarHBondContact CB-OD1 3.47Å; A295-N324 PolarHBondContact N-OD1 3.14Å; A295-N324 CarbonylContact O-C 3.54Å; A295-N324 VanDerWaalsContact O-CA 3.29Å; A295-N324 WeakPolarHBondContact O-CA 3.08Å; A295-N324 WeakPolarHBondContact O-CB 3.48Å; A306-N324 HydrophobicContact CB-CB 4.02Å; A306-N324 VanDerWaalsContact CB-CG 3.49Å; A306-N324 WeakPolarHBondContact CB-OD1 3.31Å; A322-N324 PolarHBondContact N-ND2 2.8Å; A322-N324 PolarHBondContact O-N 2.93Å; A322-N324 PolarHBondContact O-ND2 2.97Å; N324-H326 PolarHBondContact O-N 3.36Å; N324-N348 VanDerWaalsContact CB-OD1 3.23Å; N324-N348 WeakPolarHBondContact CB-OD1 3.13Å; N324-N348 PolarHBondContact N-OD1 2.91Å; N324-N348 VanDerWaalsContact N-OD1 3.16Å; N324-N348 PolarHBondContact ND2-OD1 2.89Å; N324-Y349 PolarHBondContact O-N 3.39Å
325	A	94.3	Very high	96	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-68.9	-11.5	-178.5	0	0	0	0	0	113.8	F248 Y251 A295 V297 H303 Y349	F248-A325 HydrophobicContact CB-CB 4.42Å; F248-A325 HydrophobicContact CD1-CB 3.45Å; F248-A325 VanDerWaalsContact CD1-CB 3.45Å; F248-A325 HydrophobicContact CD2-CB 4.41Å; F248-A325 HydrophobicContact CE1-CB 3.7Å; F248-A325 HydrophobicContact CG-CB 3.83Å; F248-A325 HydrophobicContact CZ-CB 4.26Å; Y251-A325 HydrophobicContact CD1-CB 3.7Å; Y251-A325 HydrophobicContact CE1-CB 3.99Å; A295-A325 PolarHBondContact O-N 3.24Å; V297-A325 HydrophobicContact CG2-CB 3.69Å; H303-A325 PolarHBondContact CE1-O 3.25Å; H303-A325 VanDerWaalsContact CE1-O 3.23Å; H303-A325 PolarHBondContact ND1-O 3.04Å; A325-Y349 WeakPolarHBondContact O-CB 3.44Å
326	H	94.9	Very high	95.8	Very high	23 Å²	23	26 Å²	26	11%	0.106	11%	0.114	C	C	.	.	S	Bend	trans	-150.8	-143.3	179.4	-157.6	53.6	0	0	0	111.5	I141 H303 S304 N324 A328 G350	I141-H326 WeakPolarHBondContact CG2-CE1 3.48Å; H303-H326 HydrophobicContact CB-CB 4.05Å; H303-H326 AromaticContact CG-ND1 4Å; S304-H326 VanDerWaalsContact O-CB 3.23Å; S304-H326 WeakPolarHBondContact O-CB 3.42Å; N324-H326 PolarHBondContact O-N 3.36Å; H326-A328 PolarHBondContact O-N 3.42Å; H326-G350 VanDerWaalsContact C-CA 3.46Å; H326-G350 VanDerWaalsContact C-N 3.33Å; H326-G350 WeakPolarHBondContact O-CA 3.45Å; H326-G350 PolarHBondContact O-N 2.79Å
327	H	96.7	Very high	95.6	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.037	12%	0.115	C	C	.	.			trans	-59.9	134.5	178	-56.4	-27.8	0	0	0	111.3	A305 A306 H351	A305-H327 CarbonylContact C-O 3.55Å; A305-H327 VanDerWaalsContact CA-O 3.24Å; A305-H327 WeakPolarHBondContact CA-O 3.26Å; A305-H327 HydrophobicContact CB-CB 3.95Å; A306-H327 PolarHBondContact N-O 3.06Å; H327-H351 VanDerWaalsContact CA-O 3.31Å; H327-H351 WeakPolarHBondContact CA-O 3.22Å; H327-H351 AromaticContact CE1-CD2 3.1Å; H327-H351 PolarHBondContact CE1-CD2 2.8Å; H327-H351 AromaticContact CE1-CG 3.92Å; H327-H351 AromaticContact CE1-NE2 3.81Å; H327-H351 AromaticContact ND1-CD2 3.52Å; H327-H351 AromaticContact ND1-CG 3.93Å; H327-H351 PolarHBondContact ND1-N 3.02Å; H327-H351 VanDerWaalsContact ND1-N 3.1Å; H327-H351 AromaticContact NE2-CD2 3.7Å
328	A	97.7	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-69.2	-54.2	171.8	0	0	0	0	0	110.1	A306 L307 L321 H326 T345 H351 G352	A306-A328 WeakPolarHBondContact CB-O 3.45Å; L307-A328 PolarHBondContact N-O 2.86Å; L321-A328 HydrophobicContact CB-CB 3.72Å; L321-A328 HydrophobicContact CD2-CB 4.13Å; L321-A328 WeakPolarHBondContact CD2-O 2.83Å; L321-A328 HydrophobicContact CG-CB 4.47Å; H326-A328 PolarHBondContact O-N 3.42Å; A328-T345 HydrophobicContact CB-CG2 3.85Å; A328-H351 PolarHBondContact N-O 3.43Å; A328-H351 VanDerWaalsContact N-O 3.11Å; A328-G352 WeakPolarHBondContact CB-O 3.24Å
329	I	98.2	Very high	95.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.3	177.6	-59.4	175.6	0	0	0	110.4	L307 L316 L321 F331 L340 V343 G352 V353 K354	L307-I329 HydrophobicContact CD2-CG1 4.45Å; L307-I329 CarbonylContact O-C 3.57Å; L307-I329 WeakPolarHBondContact O-CA 3.46Å; L316-I329 HydrophobicContact CD1-CD1 3.53Å; L316-I329 HydrophobicContact CD1-CG1 4.47Å; L321-I329 HydrophobicContact CD1-CD1 3.89Å; L321-I329 HydrophobicContact CD1-CG1 4.05Å; L321-I329 HydrophobicContact CD2-CG1 3.88Å; I329-F331 HydrophobicContact CG2-CD1 3.78Å; I329-F331 HydrophobicContact CG2-CD2 4.18Å; I329-F331 HydrophobicContact CG2-CE1 3.53Å; I329-F331 HydrophobicContact CG2-CE2 3.96Å; I329-F331 HydrophobicContact CG2-CG 4.1Å; I329-F331 HydrophobicContact CG2-CZ 3.63Å; I329-L340 HydrophobicContact CD1-CD2 3.89Å; I329-V343 HydrophobicContact CD1-CG1 3.98Å; I329-G352 PolarHBondContact N-O 3.49Å; I329-V353 HydrophobicContact CB-CB 4.46Å; I329-V353 HydrophobicContact CB-CG1 4.13Å; I329-V353 HydrophobicContact CB-CG2 4.4Å; I329-V353 HydrophobicContact CD1-CG2 4.16Å; I329-V353 HydrophobicContact CG2-CG1 4.14Å; I329-K354 PolarHBondContact O-N 3.47Å
330	N	97.7	Very high	95.4	Very high	34 Å²	34	23.8 Å²	23.8	18%	0.182	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	99.4	174.3	-175.4	21.3	0	0	0	111.9	A305 L307 S308 S309 K354	A305-N330 HydrophobicContact CB-CB 3.45Å; A305-N330 VanDerWaalsContact CB-CB 3.45Å; L307-N330 PolarHBondContact O-N 3.26Å; S308-N330 VanDerWaalsContact CA-O 3.28Å; S308-N330 WeakPolarHBondContact CA-O 3.06Å; S309-N330 PolarHBondContact N-O 3.49Å; N330-K354 CarbonylContact C-O 3.4Å; N330-K354 WeakPolarHBondContact CA-O 3.49Å
331	F	97.3	Very high	95.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	109.5	176	-66.1	-15.4	0	0	0	110.2	L307 P313 P314 L316 I329 I334 A338 L340 K354 I355 T356	L307-F331 HydrophobicContact CD2-CE1 4.37Å; L307-F331 HydrophobicContact CG-CE1 4.42Å; P313-F331 HydrophobicContact CB-CD1 3.85Å; P313-F331 HydrophobicContact CB-CD2 3.52Å; P313-F331 HydrophobicContact CB-CE1 3.78Å; P313-F331 HydrophobicContact CB-CE2 3.44Å; P313-F331 VanDerWaalsContact CB-CE2 3.44Å; P313-F331 HydrophobicContact CB-CG 3.73Å; P313-F331 HydrophobicContact CB-CZ 3.58Å; P313-F331 HydrophobicContact CG-CD2 4.07Å; P313-F331 HydrophobicContact CG-CE2 4.24Å; P313-F331 HydrophobicContact CG-CG 4.46Å; P314-F331 HydrophobicContact CG-CZ 4.5Å; L316-F331 HydrophobicContact CD1-CZ 4.11Å; I329-F331 HydrophobicContact CG2-CD1 3.78Å; I329-F331 HydrophobicContact CG2-CD2 4.18Å; I329-F331 HydrophobicContact CG2-CE1 3.53Å; I329-F331 HydrophobicContact CG2-CE2 3.96Å; I329-F331 HydrophobicContact CG2-CG 4.1Å; I329-F331 HydrophobicContact CG2-CZ 3.63Å; F331-I334 HydrophobicContact CB-CG2 3.78Å; F331-A338 HydrophobicContact CD2-CB 4Å; F331-A338 HydrophobicContact CE2-CB 4.31Å; F331-L340 HydrophobicContact CE2-CD1 3.88Å; F331-K354 PolarHBondContact N-O 3.34Å; F331-I355 HydrophobicContact CB-CG1 4.29Å; F331-I355 HydrophobicContact CB-CG2 4.37Å; F331-I355 HydrophobicContact CD2-CD1 4.43Å; F331-I355 HydrophobicContact CD2-CG1 4.17Å; F331-I355 CarbonylContact O-C 3.57Å; F331-I355 WeakPolarHBondContact O-CA 3.31Å; F331-T356 PolarHBondContact O-N 3.16Å
332	K	94.9	Very high	95.3	Very high	113 Å²	113	26.8 Å²	26.8	49%	0.491	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.1	-168.7	-175.3	-179.4	178.4	-177	0	111.6	S309 T310 I334	S309-K332 PolarHBondContact O-N 3.25Å; T310-K332 VanDerWaalsContact CB-O 3.29Å; T310-K332 WeakPolarHBondContact CB-O 3.48Å; T310-K332 PolarHBondContact OG1-O 2.83Å; K332-I334 PolarHBondContact O-N 2.8Å
333	R	91.9	Very high	95.3	Very high	139 Å²	139	26.8 Å²	26.8	53%	0.525	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49	53.9	176.6	-62.4	-179.8	-177.1	166.8	-2.2	111.8	T356 L382	R333-T356 CarbonylContact C-O 3.59Å; R333-T356 WeakPolarHBondContact CA-O 3.31Å; R333-T356 PolarHBondContact N-O 2.98Å; R333-L382 HydrophobicContact CG-CD1 4.18Å
334	I	93.6	Very high	95.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	143.1	-175.9	63.8	173.9	0	0	0	112.1	P311 P313 F331 K332 A338 I355 T356 I358	P311-I334 CarbonylContact O-C 3.6Å; P311-I334 WeakPolarHBondContact O-CA 3.14Å; P311-I334 VanDerWaalsContact O-CB 3.32Å; P311-I334 WeakPolarHBondContact O-CB 3.28Å; P313-I334 HydrophobicContact CG-CD1 4.25Å; P313-I334 HydrophobicContact CG-CG2 4.1Å; F331-I334 HydrophobicContact CB-CG2 3.78Å; K332-I334 PolarHBondContact O-N 2.8Å; I334-A338 HydrophobicContact CD1-CB 3.7Å; I334-I355 HydrophobicContact CD1-CG2 3.72Å; I334-I355 HydrophobicContact CG1-CG2 4.41Å; I334-T356 PolarHBondContact N-O 2.81Å; I334-I358 WeakPolarHBondContact O-CG1 3.4Å; I334-I358 PolarHBondContact O-N 3.08Å; I334-I358 VanDerWaalsContact O-N 3.17Å
335	R	88.6	Confident	95.5	Very high	74 Å²	74	25.8 Å²	25.8	28%	0.279	12%	0.117	S	C	.	.	S	Bend	trans	-109	-15.1	175.8	-63.6	-174.5	-173	158.5	0.2	112.9	P311 Y312 I358 M359 E395	P311-R335 HydrophobicContact CB-CB 4.29Å; P311-R335 HydrophobicContact CB-CG 4.05Å; P311-R335 PolarHBondContact O-N 3.38Å; Y312-R335 HydrophobicContact CE1-CB 4.15Å; R335-I358 HydrophobicContact CG-CD1 3.5Å; R335-I358 VanDerWaalsContact CG-CD1 3.5Å; R335-I358 HydrophobicContact CG-CG1 3.98Å; R335-M359 HydrophobicContact CB-SD 4.38Å; R335-E395 WeakPolarHBondContact CD-OE1 3.29Å
336	G	88.9	Confident	95.6	Very high	5 Å²	5	27.4 Å²	27.4	5%	0.052	13%	0.125	C	C	.	.	S	Bend	trans	-107.1	178.7	173.6	0	0	0	0	0	112.4
337	P	93.4	Very high	95.7	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.032	13%	0.131	C	C	.	.			trans	-70.2	143.5	179.5	31.8	-35.8	0	0	0	111.3	L280 N281 V282 P313 I339 Y361	L280-P337 HydrophobicContact CB-CG 4.47Å; L280-P337 HydrophobicContact CD1-CB 4.28Å; L280-P337 HydrophobicContact CD1-CG 4.24Å; N281-P337 WeakPolarHBondContact O-CD 3.36Å; V282-P337 HydrophobicContact CG2-CG 3.95Å; P313-P337 VanDerWaalsContact CG-O 3.32Å; P313-P337 WeakPolarHBondContact CG-O 3.4Å; P337-I339 HydrophobicContact CB-CD1 4.15Å; P337-I339 HydrophobicContact CB-CG1 4.22Å; P337-I339 HydrophobicContact CG-CD1 4.08Å; P337-Y361 VanDerWaalsContact CA-O 3.25Å; P337-Y361 WeakPolarHBondContact CA-O 2.82Å; P337-Y361 HydrophobicContact CB-CD1 3.49Å; P337-Y361 VanDerWaalsContact CB-CD1 3.49Å; P337-Y361 HydrophobicContact CB-CE1 4.17Å; P337-Y361 HydrophobicContact CB-CG 4.19Å
338	A	95.6	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.1	167.4	0	0	0	0	0	109.1	P313 F331 I334 I355 Y361 I362 R363	P313-A338 HydrophobicContact CG-CB 4.24Å; F331-A338 HydrophobicContact CD2-CB 4Å; F331-A338 HydrophobicContact CE2-CB 4.31Å; I334-A338 HydrophobicContact CD1-CB 3.7Å; A338-I355 HydrophobicContact CB-CD1 4.02Å; A338-Y361 PolarHBondContact N-O 3.45Å; A338-Y361 VanDerWaalsContact N-O 3.11Å; A338-I362 HydrophobicContact CB-CG1 4.4Å; A338-I362 HydrophobicContact CB-CG2 4.42Å; A338-R363 PolarHBondContact O-N 2.88Å
339	I	95.7	Very high	95.4	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.3	-174.1	-60.7	158	0	0	0	109.3	W271 V315 L316 P337 E341 R363	W271-I339 HydrophobicContact CD2-CD1 3.71Å; W271-I339 HydrophobicContact CD2-CG1 4.4Å; W271-I339 HydrophobicContact CD2-CG2 4.22Å; W271-I339 HydrophobicContact CE3-CD1 3.41Å; W271-I339 VanDerWaalsContact CE3-CD1 3.41Å; W271-I339 HydrophobicContact CG-CD1 4.39Å; W271-I339 HydrophobicContact CH2-CD1 4.06Å; W271-I339 HydrophobicContact CZ2-CD1 4.31Å; W271-I339 HydrophobicContact CZ2-CG2 3.9Å; W271-I339 HydrophobicContact CZ3-CD1 3.61Å; V315-I339 HydrophobicContact CG1-CB 4.35Å; V315-I339 HydrophobicContact CG1-CG2 4.05Å; V315-I339 HydrophobicContact CG2-CD1 4.3Å; L316-I339 PolarHBondContact N-O 3.33Å; L316-I339 VanDerWaalsContact N-O 3.11Å; P337-I339 HydrophobicContact CB-CD1 4.15Å; P337-I339 HydrophobicContact CB-CG1 4.22Å; P337-I339 HydrophobicContact CG-CD1 4.08Å; I339-E341 HydrophobicContact CG2-CG 4.32Å; I339-R363 WeakPolarHBondContact CA-O 3.41Å; I339-R363 HydrophobicContact CG1-CB 4.36Å
340	L	97.2	Very high	95.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.7	175.2	-78.1	65.1	0	0	0	108.8	L316 I329 F331 V343 V353 R363 L364 N365 V367	L316-L340 HydrophobicContact CB-CG 4.34Å; L316-L340 HydrophobicContact CD1-CD1 4.33Å; L316-L340 HydrophobicContact CD1-CG 4.1Å; I329-L340 HydrophobicContact CD1-CD2 3.89Å; F331-L340 HydrophobicContact CE2-CD1 3.88Å; L340-V343 HydrophobicContact CB-CB 4.24Å; L340-V343 HydrophobicContact CB-CG2 3.75Å; L340-V343 HydrophobicContact CD2-CB 4.22Å; L340-V343 HydrophobicContact CD2-CG1 4.13Å; L340-V343 HydrophobicContact CD2-CG2 4.3Å; L340-V343 HydrophobicContact CG-CB 4.38Å; L340-V343 HydrophobicContact CG-CG2 3.92Å; L340-V353 HydrophobicContact CD2-CG1 4.08Å; L340-V353 HydrophobicContact CD2-CG2 4.05Å; L340-R363 PolarHBondContact N-O 3.21Å; L340-L364 HydrophobicContact CB-CD2 3.77Å; L340-L364 HydrophobicContact CD1-CD2 3.98Å; L340-L364 HydrophobicContact CD2-CD2 3.93Å; L340-L364 HydrophobicContact CG-CD2 4.08Å; L340-N365 PolarHBondContact O-N 2.86Å; L340-V367 HydrophobicContact CB-CG2 4.01Å
341	E	96.4	Very high	95.1	Very high	25 Å²	25	30 Å²	30	12%	0.117	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.5	174.5	-61.4	-168.5	165.5	0	0	109.9	K270 W271 L316 C317 N318 I339 V343 N365	K270-E341 WeakPolarHBondContact CE-OE1 3.47Å; K270-E341 IonicContact NZ-OE1 2.9Å; K270-E341 PolarHBondContact NZ-OE1 3Å; K270-E341 IonicContact NZ-OE2 3.17Å; K270-E341 PolarHBondContact NZ-OE2 2.99Å; W271-E341 PolarHBondContact NE1-OE1 2.87Å; L316-E341 PolarHBondContact O-N 2.81Å; C317-E341 CarbonylContact C-O 3.45Å; C317-E341 VanDerWaalsContact CA-O 3.24Å; C317-E341 WeakPolarHBondContact CA-O 3.38Å; N318-E341 PolarHBondContact N-O 2.84Å; I339-E341 HydrophobicContact CG2-CG 4.32Å; E341-V343 VanDerWaalsContact C-N 3.31Å; E341-V343 PolarHBondContact O-N 2.91Å; E341-N365 CarbonylContact C-O 3.49Å; E341-N365 WeakPolarHBondContact CA-O 3.35Å
342	N	97.6	Very high	95.1	Very high	75 Å²	75	30 Å²	30	40%	0.401	14%	0.135	S	C	.	.	S	Bend	trans	54	45.7	179.6	-62.5	-4.9	0	0	0	112.4	N318 V319 N365 S366	N318-N342 CarbonylContact C-O 3.45Å; N318-N342 WeakPolarHBondContact CA-O 3.31Å; N318-N342 PolarHBondContact N-O 3.46Å; N318-N342 WeakPolarHBondContact OD1-CB 3.42Å; N318-N342 PolarHBondContact OD1-ND2 3.03Å; V319-N342 PolarHBondContact N-O 2.95Å; N342-N365 PolarHBondContact N-O 3.03Å; N342-S366 CarbonylContact C-O 3.6Å; N342-S366 WeakPolarHBondContact CA-O 3.49Å; N342-S366 PolarHBondContact N-O 2.86Å; N342-S366 WeakPolarHBondContact OD1-CB 3.33Å; N342-S366 PolarHBondContact OD1-OG 2.91Å
343	V	98.3	Very high	95.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.			trans	-98.2	127.3	-178.3	176.7	0	0	0	0	110.1	L316 V319 L321 I329 L340 E341 T345 S366 V367 T368	L316-V343 HydrophobicContact CB-CG2 3.75Å; V319-V343 HydrophobicContact CB-CG2 4.34Å; V319-V343 CarbonylContact O-C 3.6Å; V319-V343 VanDerWaalsContact O-CA 3.27Å; V319-V343 WeakPolarHBondContact O-CA 3.41Å; L321-V343 HydrophobicContact CD1-CG1 4.13Å; I329-V343 HydrophobicContact CD1-CG1 3.98Å; L340-V343 HydrophobicContact CB-CB 4.24Å; L340-V343 HydrophobicContact CB-CG2 3.75Å; L340-V343 HydrophobicContact CD2-CB 4.22Å; L340-V343 HydrophobicContact CD2-CG1 4.13Å; L340-V343 HydrophobicContact CD2-CG2 4.3Å; L340-V343 HydrophobicContact CG-CB 4.38Å; L340-V343 HydrophobicContact CG-CG2 3.92Å; E341-V343 VanDerWaalsContact C-N 3.31Å; E341-V343 PolarHBondContact O-N 2.91Å; V343-T345 HydrophobicContact CG1-CG2 4.4Å; V343-S366 PolarHBondContact N-O 3Å; V343-V367 CarbonylContact O-C 3.41Å; V343-V367 WeakPolarHBondContact O-CA 3.27Å; V343-T368 PolarHBondContact O-N 3.17Å
344	T	98.4	Very high	95.5	Very high	37 Å²	37	19.7 Å²	19.7	23%	0.227	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.5	177.4	-57.8	0	0	0	0	110.8	V319 H320 L321 T368	V319-T344 PolarHBondContact O-N 2.94Å; H320-T344 CarbonylContact C-O 3.58Å; H320-T344 WeakPolarHBondContact CA-O 3.37Å; H320-T344 WeakPolarHBondContact ND1-CB 3.48Å; H320-T344 WeakPolarHBondContact ND1-CG2 3.24Å; L321-T344 PolarHBondContact N-O 2.84Å; T344-T368 CarbonylContact C-O 3.56Å; T344-T368 WeakPolarHBondContact CA-O 3.25Å; T344-T368 HydrophobicContact CG2-CG2 4.21Å
345	T	98	Very high	95.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.3	173.4	60.1	0	0	0	0	110.1	L321 A328 V343 V353 T368 S369 L370 N372	L321-T345 HydrophobicContact CB-CG2 4.4Å; L321-T345 HydrophobicContact CD1-CG2 4.25Å; L321-T345 VanDerWaalsContact O-CA 3.3Å; L321-T345 WeakPolarHBondContact O-CA 3.35Å; A328-T345 HydrophobicContact CB-CG2 3.85Å; V343-T345 HydrophobicContact CG1-CG2 4.4Å; T345-V353 HydrophobicContact CG2-CG2 4.06Å; T345-T368 PolarHBondContact N-O 3.01Å; T345-S369 CarbonylContact O-C 3.43Å; T345-S369 WeakPolarHBondContact O-CA 3.38Å; T345-S369 WeakPolarHBondContact OG1-CB 2.98Å; T345-S369 PolarHBondContact OG1-OG 3.22Å; T345-S369 VanDerWaalsContact OG1-OG 3.1Å; T345-L370 PolarHBondContact O-N 2.84Å; T345-N372 PolarHBondContact O-ND2 2.89Å
346	E	97	Very high	96	Very high	35 Å²	35	17.2 Å²	17.2	16%	0.164	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.1	-178.5	70.9	171.6	177.6	0	0	116.2	H320 L321 A322 Y323 N348 L370 R371	H320-E346 IonicContact CE1-OE1 3.56Å; H320-E346 PolarHBondContact CE1-OE1 2.86Å; H320-E346 VanDerWaalsContact CE1-OE1 3.27Å; H320-E346 IonicContact NE2-OE1 2.68Å; L321-E346 PolarHBondContact O-N 2.85Å; A322-E346 VanDerWaalsContact CA-O 3.24Å; A322-E346 WeakPolarHBondContact CA-O 3.38Å; A322-E346 HydrophobicContact CB-CG 3.74Å; Y323-E346 PolarHBondContact N-O 3.08Å; E346-N348 PolarHBondContact N-ND2 3.29Å; E346-N348 PolarHBondContact O-N 2.79Å; E346-N348 VanDerWaalsContact O-N 3.16Å; E346-N348 PolarHBondContact O-ND2 2.92Å; E346-N348 VanDerWaalsContact O-ND2 3.15Å; E346-L370 WeakPolarHBondContact CA-O 3.28Å; E346-L370 HydrophobicContact CB-CB 3.98Å; E346-R371 IonicContact OE2-NH2 2.72Å; E346-R371 PolarHBondContact OE2-NH2 3.4Å
347	N	96	Very high	96.3	Very high	42 Å²	42	17 Å²	17	23%	0.225	9%	0.085	C	C	.	.	S	Bend	trans	52.6	37.6	174.5	-57	-44.7	0	0	0	113.5	Y323 L370 R371	Y323-N347 WeakPolarHBondContact CA-O 3.35Å; Y323-N347 HydrophobicContact CD1-CB 3.87Å; Y323-N347 HydrophobicContact CE1-CB 3.88Å; Y323-N347 WeakPolarHBondContact CE1-ND2 3.42Å; N347-L370 PolarHBondContact N-O 2.75Å; N347-R371 WeakPolarHBondContact CA-O 3.23Å; N347-R371 PolarHBondContact OD1-NE 2.83Å
348	N	95.4	Very high	96.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.			trans	-93.4	141.6	177.8	-57.4	-75	0	0	0	110.9	L321 N324 E346 G350 N372 N373	L321-N348 PolarHBondContact O-ND2 2.93Å; N324-N348 VanDerWaalsContact CB-OD1 3.23Å; N324-N348 WeakPolarHBondContact CB-OD1 3.13Å; N324-N348 PolarHBondContact N-OD1 2.91Å; N324-N348 VanDerWaalsContact N-OD1 3.16Å; N324-N348 PolarHBondContact ND2-OD1 2.89Å; E346-N348 PolarHBondContact N-ND2 3.29Å; E346-N348 PolarHBondContact O-N 2.79Å; E346-N348 VanDerWaalsContact O-N 3.16Å; E346-N348 PolarHBondContact O-ND2 2.92Å; E346-N348 VanDerWaalsContact O-ND2 3.15Å; N348-G350 PolarHBondContact O-N 2.92Å; N348-N372 VanDerWaalsContact CB-OD1 3.29Å; N348-N372 WeakPolarHBondContact CB-OD1 3.32Å; N348-N372 PolarHBondContact N-OD1 3.39Å; N348-N372 PolarHBondContact ND2-OD1 3.43Å; N348-N372 CarbonylContact O-C 3.59Å; N348-N372 WeakPolarHBondContact O-CA 3.38Å; N348-N373 PolarHBondContact O-N 3.04Å
349	Y	93	Very high	95.8	Very high	71 Å²	71	18.4 Å²	18.4	28%	0.278	9%	0.091	S	C	.	.	S	Bend	trans	-74.7	-3.9	178.5	-81.4	-100.6	0	0	0	113.5	Q247 F248 N324 A325 N373	Q247-Y349 VanDerWaalsContact NE2-CZ 3.29Å; Q247-Y349 PolarHBondContact NE2-OH 3.35Å; F248-Y349 HydrophobicContact CE1-CD1 4.29Å; F248-Y349 AromaticContact CE1-CD2 3.6Å; F248-Y349 HydrophobicContact CE1-CD2 3.6Å; F248-Y349 HydrophobicContact CE1-CE1 4.32Å; F248-Y349 AromaticContact CE1-CE2 3.63Å; F248-Y349 HydrophobicContact CE1-CE2 3.63Å; F248-Y349 AromaticContact CE1-CG 3.94Å; F248-Y349 HydrophobicContact CE1-CG 3.94Å; F248-Y349 AromaticContact CE1-CZ 4Å; F248-Y349 AromaticContact CZ-CD1 3.69Å; F248-Y349 HydrophobicContact CZ-CD1 3.69Å; F248-Y349 AromaticContact CZ-CD2 3.86Å; F248-Y349 HydrophobicContact CZ-CD2 3.86Å; F248-Y349 AromaticContact CZ-CE1 3.81Å; F248-Y349 HydrophobicContact CZ-CE1 3.81Å; F248-Y349 AromaticContact CZ-CE2 3.97Å; F248-Y349 HydrophobicContact CZ-CE2 3.97Å; F248-Y349 AromaticContact CZ-CG 3.71Å; F248-Y349 HydrophobicContact CZ-CG 3.71Å; F248-Y349 AromaticContact CZ-CZ 3.94Å; N324-Y349 PolarHBondContact O-N 3.39Å; A325-Y349 WeakPolarHBondContact O-CB 3.44Å; Y349-N373 WeakPolarHBondContact O-CB 3.41Å
350	G	93.6	Very high	95.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-112.4	-164.3	172.5	0	0	0	0	0	113.8	H326 N348 G374	H326-G350 VanDerWaalsContact C-CA 3.46Å; H326-G350 VanDerWaalsContact C-N 3.33Å; H326-G350 WeakPolarHBondContact O-CA 3.45Å; H326-G350 PolarHBondContact O-N 2.79Å; N348-G350 PolarHBondContact O-N 2.92Å; G350-G374 PolarHBondContact O-N 3.21Å; G350-G374 VanDerWaalsContact O-N 3.09Å
351	H	96.1	Very high	95.3	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.028	9%	0.094	C	C	.	.			trans	-59.9	149.2	161	-53.4	-62.8	0	0	0	111.9	H327 A328 D375 Q572	H327-H351 VanDerWaalsContact CA-O 3.31Å; H327-H351 WeakPolarHBondContact CA-O 3.22Å; H327-H351 AromaticContact CE1-CD2 3.1Å; H327-H351 PolarHBondContact CE1-CD2 2.8Å; H327-H351 AromaticContact CE1-CG 3.92Å; H327-H351 AromaticContact CE1-NE2 3.81Å; H327-H351 AromaticContact ND1-CD2 3.52Å; H327-H351 AromaticContact ND1-CG 3.93Å; H327-H351 PolarHBondContact ND1-N 3.02Å; H327-H351 VanDerWaalsContact ND1-N 3.1Å; H327-H351 AromaticContact NE2-CD2 3.7Å; A328-H351 PolarHBondContact N-O 3.43Å; A328-H351 VanDerWaalsContact N-O 3.11Å; H351-D375 CarbonylContact C-O 3.51Å; H351-D375 WeakPolarHBondContact CA-O 3.24Å; H351-D375 WeakPolarHBondContact CB-O 3.4Å; H351-D375 IonicContact CE1-OD2 3.12Å; H351-D375 PolarHBondContact ND1-N 3.22Å; H351-D375 IonicContact ND1-OD2 2.77Å; H351-Q572 PolarHBondContact CE1-OE1 2.84Å
352	G	97	Very high	95.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-63.8	-61.2	169.9	0	0	0	0	0	110.7	A328 I329 D375 G376	A328-G352 WeakPolarHBondContact CB-O 3.24Å; I329-G352 PolarHBondContact N-O 3.49Å; G352-D375 PolarHBondContact N-O 3.27Å; G352-G376 WeakPolarHBondContact CA-O 3.2Å
353	V	98.1	Very high	95.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.3	177.8	-174	0	0	0	0	110.6	I329 L340 T345 I355 G376 L377 N378	I329-V353 HydrophobicContact CB-CB 4.46Å; I329-V353 HydrophobicContact CB-CG1 4.13Å; I329-V353 HydrophobicContact CB-CG2 4.4Å; I329-V353 HydrophobicContact CD1-CG2 4.16Å; I329-V353 HydrophobicContact CG2-CG1 4.14Å; L340-V353 HydrophobicContact CD2-CG1 4.08Å; L340-V353 HydrophobicContact CD2-CG2 4.05Å; T345-V353 HydrophobicContact CG2-CG2 4.06Å; V353-I355 HydrophobicContact CG1-CD1 3.94Å; V353-I355 HydrophobicContact CG1-CG1 3.87Å; V353-G376 PolarHBondContact N-O 2.92Å; V353-L377 HydrophobicContact CB-CD2 3.59Å; V353-L377 HydrophobicContact CG1-CD2 4.46Å; V353-L377 HydrophobicContact CG2-CD2 3.67Å; V353-L377 CarbonylContact O-C 3.53Å; V353-L377 WeakPolarHBondContact O-CA 3.09Å; V353-N378 PolarHBondContact O-N 2.82Å
354	K	97.4	Very high	95.1	Very high	34 Å²	34	15.4 Å²	15.4	15%	0.148	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.5	173.9	-172.3	176.5	-167.4	157.4	0	110.4	I329 N330 F331 N378	I329-K354 PolarHBondContact O-N 3.47Å; N330-K354 CarbonylContact C-O 3.4Å; N330-K354 WeakPolarHBondContact CA-O 3.49Å; F331-K354 PolarHBondContact N-O 3.34Å; K354-N378 CarbonylContact C-O 3.53Å; K354-N378 VanDerWaalsContact CA-O 3.31Å; K354-N378 WeakPolarHBondContact CA-O 3.46Å; K354-N378 HydrophobicContact CG-CB 4.39Å
355	I	97.7	Very high	95.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.6	179.9	-56.1	174.4	0	0	0	109.4	F331 I334 A338 V353 I362 L364 N378 I379 K380	F331-I355 HydrophobicContact CB-CG1 4.29Å; F331-I355 HydrophobicContact CB-CG2 4.37Å; F331-I355 HydrophobicContact CD2-CD1 4.43Å; F331-I355 HydrophobicContact CD2-CG1 4.17Å; F331-I355 CarbonylContact O-C 3.57Å; F331-I355 WeakPolarHBondContact O-CA 3.31Å; I334-I355 HydrophobicContact CD1-CG2 3.72Å; I334-I355 HydrophobicContact CG1-CG2 4.41Å; A338-I355 HydrophobicContact CB-CD1 4.02Å; V353-I355 HydrophobicContact CG1-CD1 3.94Å; V353-I355 HydrophobicContact CG1-CG1 3.87Å; I355-I362 HydrophobicContact CB-CD1 4.33Å; I355-I362 HydrophobicContact CD1-CG2 3.76Å; I355-I362 HydrophobicContact CG2-CD1 3.62Å; I355-I362 HydrophobicContact CG2-CG1 4.16Å; I355-L364 HydrophobicContact CD1-CD2 4.39Å; I355-N378 PolarHBondContact N-O 2.85Å; I355-I379 HydrophobicContact CB-CG1 4.44Å; I355-I379 CarbonylContact O-C 3.55Å; I355-I379 WeakPolarHBondContact O-CA 3.42Å; I355-K380 PolarHBondContact O-N 3.12Å
356	T	96	Very high	95.1	Very high	22 Å²	22	17.4 Å²	17.4	14%	0.135	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	111.9	168.9	-58.2	0	0	0	0	108.6	F331 R333 I334 K380 L382	F331-T356 PolarHBondContact O-N 3.16Å; R333-T356 CarbonylContact C-O 3.59Å; R333-T356 WeakPolarHBondContact CA-O 3.31Å; R333-T356 PolarHBondContact N-O 2.98Å; I334-T356 PolarHBondContact N-O 2.81Å; T356-K380 CarbonylContact C-O 3.44Å; T356-K380 VanDerWaalsContact CA-O 3.28Å; T356-K380 WeakPolarHBondContact CA-O 3.42Å; T356-L382 HydrophobicContact CG2-CD1 3.38Å; T356-L382 HydrophobicContact CG2-CD2 4.14Å; T356-L382 HydrophobicContact CG2-CG 3.61Å
357	S	94.8	Very high	95.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.1	-175.3	-175.3	0	0	0	0	111.9	M359 G360 K380 L381 L382	S357-M359 PolarHBondContact OG-N 3.15Å; S357-G360 WeakPolarHBondContact OG-CA 3.29Å; S357-G360 PolarHBondContact OG-N 2.82Å; S357-G360 PolarHBondContact OG-O 3.21Å; S357-K380 PolarHBondContact N-O 2.96Å; S357-L381 WeakPolarHBondContact O-CA 3.31Å; S357-L382 PolarHBondContact O-N 2.76Å
358	I	91	Very high	95.2	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.077	C	C	.	.	S	Bend	trans	-97.8	-15.7	173.3	53.9	162.2	0	0	0	112.8	I334 R335 L382 Y387 W389	I334-I358 WeakPolarHBondContact O-CG1 3.4Å; I334-I358 PolarHBondContact O-N 3.08Å; I334-I358 VanDerWaalsContact O-N 3.17Å; R335-I358 HydrophobicContact CG-CD1 3.5Å; R335-I358 VanDerWaalsContact CG-CD1 3.5Å; R335-I358 HydrophobicContact CG-CG1 3.98Å; I358-L382 HydrophobicContact CG2-CB 3.87Å; I358-L382 HydrophobicContact CG2-CD1 4.06Å; I358-Y387 HydrophobicContact CB-CD1 4.38Å; I358-Y387 HydrophobicContact CB-CE1 4.36Å; I358-Y387 HydrophobicContact CD1-CE1 3.86Å; I358-Y387 HydrophobicContact CG2-CD1 3.79Å; I358-Y387 HydrophobicContact CG2-CD2 4.08Å; I358-Y387 HydrophobicContact CG2-CE1 3.91Å; I358-Y387 HydrophobicContact CG2-CE2 4.21Å; I358-Y387 HydrophobicContact CG2-CG 3.88Å; I358-W389 HydrophobicContact CB-CZ2 4.45Å; I358-W389 HydrophobicContact CD1-CH2 3.89Å; I358-W389 HydrophobicContact CD1-CZ2 4.09Å; I358-W389 HydrophobicContact CD1-CZ3 4.34Å
359	M	87.1	Confident	95.3	Very high	35 Å²	35	15.5 Å²	15.5	17%	0.172	8%	0.077	C	C	.	.	S	Bend	trans	-117.1	-10.6	-179.1	-69.8	-176.3	67.8	0	0	113.8	R335 S357 W389	R335-M359 HydrophobicContact CB-SD 4.38Å; S357-M359 PolarHBondContact OG-N 3.15Å; M359-W389 HydrophobicContact CG-CH2 3.85Å; M359-W389 HydrophobicContact CG-CZ2 4.27Å; M359-W389 HydrophobicContact SD-CH2 4.18Å
360	G	89.4	Confident	95.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.			trans	83.2	-138	-172.2	0	0	0	0	0	112.3	S357	S357-G360 WeakPolarHBondContact OG-CA 3.29Å; S357-G360 PolarHBondContact OG-N 2.82Å; S357-G360 PolarHBondContact OG-O 3.21Å
361	Y	92.2	Very high	95.6	Very high	18 Å²	18	19.5 Å²	19.5	7%	0.071	10%	0.095	C	C	.	.			trans	58.4	56.2	178.9	-140.2	-74.7	0	0	0	115.1	I267 W271 G272 L280 P337 A338 R363 L557 E559	I267-Y361 HydrophobicContact CG2-CE1 4.36Å; I267-Y361 WeakPolarHBondContact CG2-OH 3.21Å; W271-Y361 WeakPolarHBondContact O-CE1 3.42Å; W271-Y361 PolarHBondContact O-OH 2.83Å; G272-Y361 PolarHBondContact O-OH 2.89Å; L280-Y361 HydrophobicContact CD1-CD1 3.89Å; L280-Y361 HydrophobicContact CD1-CD2 3.68Å; L280-Y361 HydrophobicContact CD1-CE1 3.86Å; L280-Y361 HydrophobicContact CD1-CE2 3.67Å; L280-Y361 HydrophobicContact CD1-CG 3.77Å; P337-Y361 VanDerWaalsContact CA-O 3.25Å; P337-Y361 WeakPolarHBondContact CA-O 2.82Å; P337-Y361 HydrophobicContact CB-CD1 3.49Å; P337-Y361 VanDerWaalsContact CB-CD1 3.49Å; P337-Y361 HydrophobicContact CB-CE1 4.17Å; P337-Y361 HydrophobicContact CB-CG 4.19Å; A338-Y361 PolarHBondContact N-O 3.45Å; A338-Y361 VanDerWaalsContact N-O 3.11Å; Y361-R363 HydrophobicContact CD1-CG 4.09Å; Y361-R363 HydrophobicContact CE1-CG 4.13Å; Y361-R363 PolarHBondContact OH-NH2 3.05Å; Y361-L557 HydrophobicContact CD2-CD2 4.36Å; Y361-L557 HydrophobicContact CE2-CD1 4.42Å; Y361-L557 HydrophobicContact CE2-CD2 4.2Å; Y361-E559 PolarHBondContact N-O 3.26Å; Y361-E559 VanDerWaalsContact N-O 3.11Å
362	I	96.3	Very high	95.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.7	179.5	-59.3	171.9	0	0	0	108.8	A338 I355 L364 I379 L381 E559 V560 I561	A338-I362 HydrophobicContact CB-CG1 4.4Å; A338-I362 HydrophobicContact CB-CG2 4.42Å; I355-I362 HydrophobicContact CB-CD1 4.33Å; I355-I362 HydrophobicContact CD1-CG2 3.76Å; I355-I362 HydrophobicContact CG2-CD1 3.62Å; I355-I362 HydrophobicContact CG2-CG1 4.16Å; I362-L364 HydrophobicContact CG2-CD1 4.18Å; I362-L364 HydrophobicContact CG2-CD2 4.09Å; I362-L364 HydrophobicContact CG2-CG 3.91Å; I362-I379 HydrophobicContact CD1-CG2 3.47Å; I362-I379 VanDerWaalsContact CD1-CG2 3.47Å; I362-I379 HydrophobicContact CG2-CD1 4.21Å; I362-L381 HydrophobicContact CD1-CD2 4.33Å; I362-E559 PolarHBondContact N-O 3.09Å; I362-V560 HydrophobicContact CB-CG1 4.39Å; I362-V560 HydrophobicContact CB-CG2 4.29Å; I362-V560 HydrophobicContact CD1-CG2 4.18Å; I362-V560 HydrophobicContact CG2-CG1 4.35Å; I362-V560 WeakPolarHBondContact O-CA 3.29Å; I362-I561 PolarHBondContact O-N 3.2Å
363	R	95.9	Very high	95.4	Very high	19 Å²	19	22.5 Å²	22.5	7%	0.072	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	106.1	-176.3	-53.3	-51.8	-177.7	100.7	4.7	109.8	W271 A338 I339 L340 Y361 I561	W271-R363 PolarHBondContact O-NH1 3.29Å; W271-R363 PolarHBondContact O-NH2 2.9Å; W271-R363 VanDerWaalsContact O-NH2 3.16Å; A338-R363 PolarHBondContact O-N 2.88Å; I339-R363 WeakPolarHBondContact CA-O 3.41Å; I339-R363 HydrophobicContact CG1-CB 4.36Å; L340-R363 PolarHBondContact N-O 3.21Å; Y361-R363 HydrophobicContact CD1-CG 4.09Å; Y361-R363 HydrophobicContact CE1-CG 4.13Å; Y361-R363 PolarHBondContact OH-NH2 3.05Å; R363-I561 VanDerWaalsContact NH1-CD1 3.28Å
364	L	97.4	Very high	95.1	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	112.7	-178.8	-54	-179.2	0	0	0	108.3	L340 I355 I362 V367 L377 I379 I561 L562 K563	L340-L364 HydrophobicContact CB-CD2 3.77Å; L340-L364 HydrophobicContact CD1-CD2 3.98Å; L340-L364 HydrophobicContact CD2-CD2 3.93Å; L340-L364 HydrophobicContact CG-CD2 4.08Å; I355-L364 HydrophobicContact CD1-CD2 4.39Å; I362-L364 HydrophobicContact CG2-CD1 4.18Å; I362-L364 HydrophobicContact CG2-CD2 4.09Å; I362-L364 HydrophobicContact CG2-CG 3.91Å; L364-V367 HydrophobicContact CB-CG2 3.92Å; L364-V367 HydrophobicContact CD2-CG2 4.49Å; L364-L377 HydrophobicContact CD1-CD1 3.84Å; L364-L377 HydrophobicContact CD1-CD2 4.5Å; L364-I379 HydrophobicContact CD1-CD1 4.09Å; L364-I561 PolarHBondContact N-O 2.65Å; L364-L562 HydrophobicContact CB-CD1 3.46Å; L364-L562 VanDerWaalsContact CB-CD1 3.46Å; L364-L562 HydrophobicContact CD1-CD1 3.96Å; L364-L562 HydrophobicContact CG-CD1 4.36Å; L364-L562 CarbonylContact O-C 3.55Å; L364-L562 VanDerWaalsContact O-CA 3.32Å; L364-L562 WeakPolarHBondContact O-CA 3.47Å; L364-K563 PolarHBondContact O-N 2.88Å
365	N	97.2	Very high	95.1	Very high	47 Å²	47	21 Å²	21	25%	0.251	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.9	178.3	-175.9	25.6	0	0	0	109.8	L340 E341 N342 V367 K563 N564	L340-N365 PolarHBondContact O-N 2.86Å; E341-N365 CarbonylContact C-O 3.49Å; E341-N365 WeakPolarHBondContact CA-O 3.35Å; N342-N365 PolarHBondContact N-O 3.03Å; N365-V367 VanDerWaalsContact C-N 3.34Å; N365-V367 PolarHBondContact O-N 3.31Å; N365-K563 WeakPolarHBondContact CA-O 3.21Å; N365-N564 PolarHBondContact OD1-ND2 2.98Å
366	S	97.9	Very high	95	Very high	32 Å²	32	21 Å²	21	22%	0.224	10%	0.104	C	C	.	.	S	Bend	trans	56.1	47.6	-179.6	-52	0	0	0	0	112.3	N342 V343 K563 N564	N342-S366 CarbonylContact C-O 3.6Å; N342-S366 WeakPolarHBondContact CA-O 3.49Å; N342-S366 PolarHBondContact N-O 2.86Å; N342-S366 WeakPolarHBondContact OD1-CB 3.33Å; N342-S366 PolarHBondContact OD1-OG 2.91Å; V343-S366 PolarHBondContact N-O 3Å; S366-K563 PolarHBondContact N-O 2.64Å; S366-N564 WeakPolarHBondContact CA-O 3.35Å
367	V	98.1	Very high	95.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.			trans	-89.8	127	176.3	179.4	0	0	0	0	109.4	L340 V343 L364 N365 L377 S565 I566	L340-V367 HydrophobicContact CB-CG2 4.01Å; V343-V367 CarbonylContact O-C 3.41Å; V343-V367 WeakPolarHBondContact O-CA 3.27Å; L364-V367 HydrophobicContact CB-CG2 3.92Å; L364-V367 HydrophobicContact CD2-CG2 4.49Å; N365-V367 VanDerWaalsContact C-N 3.34Å; N365-V367 PolarHBondContact O-N 3.31Å; V367-L377 HydrophobicContact CG1-CD2 4.08Å; V367-S565 PolarHBondContact N-OG 3.07Å; V367-S565 CarbonylContact O-C 3.45Å; V367-S565 VanDerWaalsContact O-CA 3.27Å; V367-S565 WeakPolarHBondContact O-CA 3.26Å; V367-S565 WeakPolarHBondContact O-CB 3.36Å; V367-I566 PolarHBondContact O-N 3.11Å
368	T	98.2	Very high	95.2	Very high	36 Å²	36	20.8 Å²	20.8	22%	0.221	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.7	179.8	-60.1	0	0	0	0	109.5	V343 T344 T345 L370 I566	V343-T368 PolarHBondContact O-N 3.17Å; T344-T368 CarbonylContact C-O 3.56Å; T344-T368 WeakPolarHBondContact CA-O 3.25Å; T344-T368 HydrophobicContact CG2-CG2 4.21Å; T345-T368 PolarHBondContact N-O 3.01Å; T368-L370 HydrophobicContact CG2-CD1 3.81Å; T368-L370 HydrophobicContact CG2-CD2 3.99Å; T368-L370 HydrophobicContact CG2-CG 3.74Å; T368-I566 CarbonylContact C-O 3.54Å; T368-I566 VanDerWaalsContact CA-O 3.24Å; T368-I566 WeakPolarHBondContact CA-O 3.47Å
369	S	97.8	Very high	95.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	107.6	-177.2	-171.1	0	0	0	0	111.1	T345 N372 G376 I566 I567 S568 N570	T345-S369 CarbonylContact O-C 3.43Å; T345-S369 WeakPolarHBondContact O-CA 3.38Å; T345-S369 WeakPolarHBondContact OG1-CB 2.98Å; T345-S369 PolarHBondContact OG1-OG 3.22Å; T345-S369 VanDerWaalsContact OG1-OG 3.1Å; S369-N372 PolarHBondContact OG-ND2 3.12Å; S369-G376 WeakPolarHBondContact OG-CA 3.15Å; S369-G376 PolarHBondContact OG-O 2.83Å; S369-I566 PolarHBondContact N-O 2.8Å; S369-I567 CarbonylContact O-C 3.57Å; S369-I567 WeakPolarHBondContact O-CA 3.26Å; S369-S568 PolarHBondContact O-N 3.05Å; S369-N570 PolarHBondContact O-ND2 3.04Å
370	L	97.5	Very high	95.9	Very high	34 Å²	34	23 Å²	23	18%	0.178	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.9	-167.3	-54.1	176.9	0	0	0	112.8	T345 E346 N347 T368 N372 I566 S568	T345-L370 PolarHBondContact O-N 2.84Å; E346-L370 WeakPolarHBondContact CA-O 3.28Å; E346-L370 HydrophobicContact CB-CB 3.98Å; N347-L370 PolarHBondContact N-O 2.75Å; T368-L370 HydrophobicContact CG2-CD1 3.81Å; T368-L370 HydrophobicContact CG2-CD2 3.99Å; T368-L370 HydrophobicContact CG2-CG 3.74Å; L370-N372 VanDerWaalsContact C-N 3.3Å; L370-N372 PolarHBondContact N-ND2 2.89Å; L370-N372 PolarHBondContact O-N 2.92Å; L370-N372 PolarHBondContact O-ND2 3.4Å; L370-I566 HydrophobicContact CD2-CG2 4.49Å; L370-S568 VanDerWaalsContact CA-O 3.28Å; L370-S568 WeakPolarHBondContact CA-O 3.47Å
371	R	95.4	Very high	96.1	Very high	122 Å²	122	23 Å²	23	46%	0.46	11%	0.111	S	C	.	.	S	Bend	trans	52.6	40.5	167.6	-57.5	178.8	-60.8	-85.7	-10.6	114.7	E346 N347 S568 G569	E346-R371 IonicContact OE2-NH2 2.72Å; E346-R371 PolarHBondContact OE2-NH2 3.4Å; N347-R371 WeakPolarHBondContact CA-O 3.23Å; N347-R371 PolarHBondContact OD1-NE 2.83Å; R371-S568 PolarHBondContact N-O 2.92Å; R371-G569 WeakPolarHBondContact CA-O 3.3Å
372	N	95.2	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.			trans	-86.5	146.9	173.7	-56.7	-72.5	0	0	0	110.5	T345 N348 S369 L370 G374 N570 S571	T345-N372 PolarHBondContact O-ND2 2.89Å; N348-N372 VanDerWaalsContact CB-OD1 3.29Å; N348-N372 WeakPolarHBondContact CB-OD1 3.32Å; N348-N372 PolarHBondContact N-OD1 3.39Å; N348-N372 PolarHBondContact ND2-OD1 3.43Å; N348-N372 CarbonylContact O-C 3.59Å; N348-N372 WeakPolarHBondContact O-CA 3.38Å; S369-N372 PolarHBondContact OG-ND2 3.12Å; L370-N372 VanDerWaalsContact C-N 3.3Å; L370-N372 PolarHBondContact N-ND2 2.89Å; L370-N372 PolarHBondContact O-N 2.92Å; L370-N372 PolarHBondContact O-ND2 3.4Å; N372-G374 PolarHBondContact O-N 3.47Å; N372-N570 WeakPolarHBondContact CB-OD1 3.15Å; N372-N570 PolarHBondContact N-OD1 3.5Å; N372-N570 VanDerWaalsContact N-OD1 3.15Å; N372-N570 PolarHBondContact ND2-OD1 3.1Å; N372-N570 CarbonylContact O-C 3.54Å; N372-N570 WeakPolarHBondContact O-CA 3.19Å; N372-S571 PolarHBondContact O-N 2.9Å
373	N	92.2	Very high	95.3	Very high	68 Å²	68	23.5 Å²	23.5	36%	0.364	12%	0.116	S	C	.	.	S	Bend	trans	-74.1	-12.7	-178.1	-75.9	21.5	0	0	0	113.7	N348 Y349 S571	N348-N373 PolarHBondContact O-N 3.04Å; Y349-N373 WeakPolarHBondContact O-CB 3.41Å; N373-S571 WeakPolarHBondContact O-CB 3.43Å
374	G	92.8	Very high	94.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-108.9	-158	169.7	0	0	0	0	0	112.3	G350 N372 Q572	G350-G374 PolarHBondContact O-N 3.21Å; G350-G374 VanDerWaalsContact O-N 3.09Å; N372-G374 PolarHBondContact O-N 3.47Å; G374-Q572 PolarHBondContact O-N 3.02Å
375	D	96	Very high	92.8	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.123	C	C	.	.			trans	-59.1	147	167.3	-59	-32.1	0	0	0	112.8	H351 G352 N378 Q572 H573 S576	H351-D375 CarbonylContact C-O 3.51Å; H351-D375 WeakPolarHBondContact CA-O 3.24Å; H351-D375 WeakPolarHBondContact CB-O 3.4Å; H351-D375 IonicContact CE1-OD2 3.12Å; H351-D375 PolarHBondContact ND1-N 3.22Å; H351-D375 IonicContact ND1-OD2 2.77Å; G352-D375 PolarHBondContact N-O 3.27Å; D375-N378 HydrophobicContact CB-CB 4.19Å; D375-N378 PolarHBondContact OD2-ND2 2.87Å; D375-Q572 WeakPolarHBondContact OD1-CB 3.32Å; D375-Q572 PolarHBondContact OD1-OE1 2.9Å; D375-H573 CarbonylContact C-O 3.21Å; D375-H573 VanDerWaalsContact CA-O 3.23Å; D375-H573 WeakPolarHBondContact CA-O 3.33Å; D375-H573 WeakPolarHBondContact OD1-CB 3.36Å; D375-H573 IonicContact OD1-CE1 2.79Å; D375-H573 IonicContact OD1-CG 3.18Å; D375-H573 PolarHBondContact OD1-N 3.15Å; D375-H573 IonicContact OD1-ND1 3.07Å; D375-H573 PolarHBondContact OD1-ND1 3.18Å; D375-H573 IonicContact OD2-ND1 2.64Å; D375-S576 PolarHBondContact OD2-OG 2.71Å
376	G	96.8	Very high	91.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-61.5	-51.5	169.8	0	0	0	0	0	111.4	G352 V353 S369 H573 G574	G352-G376 WeakPolarHBondContact CA-O 3.2Å; V353-G376 PolarHBondContact N-O 2.92Å; S369-G376 WeakPolarHBondContact OG-CA 3.15Å; S369-G376 PolarHBondContact OG-O 2.83Å; G376-H573 PolarHBondContact N-O 2.92Å; G376-G574 CarbonylContact C-O 3.6Å; G376-G574 VanDerWaalsContact CA-O 3.27Å; G376-G574 WeakPolarHBondContact CA-O 3.28Å; G376-G574 PolarHBondContact N-O 3.46Å
377	L	98.3	Very high	90.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.3	174	-55.3	179.4	0	0	0	109.7	V353 L364 V367 L562 I567 G574 L575 S576	V353-L377 HydrophobicContact CB-CD2 3.59Å; V353-L377 HydrophobicContact CG1-CD2 4.46Å; V353-L377 HydrophobicContact CG2-CD2 3.67Å; V353-L377 CarbonylContact O-C 3.53Å; V353-L377 WeakPolarHBondContact O-CA 3.09Å; L364-L377 HydrophobicContact CD1-CD1 3.84Å; L364-L377 HydrophobicContact CD1-CD2 4.5Å; V367-L377 HydrophobicContact CG1-CD2 4.08Å; L377-L562 HydrophobicContact CD1-CD1 3.84Å; L377-L562 HydrophobicContact CD1-CD2 3.94Å; L377-I567 HydrophobicContact CD1-CD1 3.49Å; L377-I567 VanDerWaalsContact CD1-CD1 3.49Å; L377-I567 HydrophobicContact CD1-CG1 4.48Å; L377-I567 HydrophobicContact CG-CD1 3.93Å; L377-G574 PolarHBondContact N-O 3.07Å; L377-L575 HydrophobicContact CB-CB 4.39Å; L377-L575 HydrophobicContact CB-CD1 3.63Å; L377-L575 HydrophobicContact CD1-CD1 4.25Å; L377-L575 CarbonylContact O-C 3.58Å; L377-L575 VanDerWaalsContact O-CA 3.32Å; L377-L575 WeakPolarHBondContact O-CA 3.43Å; L377-S576 PolarHBondContact O-N 2.79Å
378	N	97.2	Very high	90.1	Very high	18 Å²	18	30.5 Å²	30.5	10%	0.096	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	108.3	176.2	-176.1	-79.2	0	0	0	109.2	V353 K354 I355 D375 S576	V353-N378 PolarHBondContact O-N 2.82Å; K354-N378 CarbonylContact C-O 3.53Å; K354-N378 VanDerWaalsContact CA-O 3.31Å; K354-N378 WeakPolarHBondContact CA-O 3.46Å; K354-N378 HydrophobicContact CG-CB 4.39Å; I355-N378 PolarHBondContact N-O 2.85Å; D375-N378 HydrophobicContact CB-CB 4.19Å; D375-N378 PolarHBondContact OD2-ND2 2.87Å; N378-S576 WeakPolarHBondContact CA-OG 3.44Å; N378-S576 PolarHBondContact ND2-OG 3.32Å
379	I	97.4	Very high	89.2	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.2	-175.2	-59.8	176.7	0	0	0	109.6	I355 I362 L364 V560 L575 S576 L577 Y578	I355-I379 HydrophobicContact CB-CG1 4.44Å; I355-I379 CarbonylContact O-C 3.55Å; I355-I379 WeakPolarHBondContact O-CA 3.42Å; I362-I379 HydrophobicContact CD1-CG2 3.47Å; I362-I379 VanDerWaalsContact CD1-CG2 3.47Å; I362-I379 HydrophobicContact CG2-CD1 4.21Å; L364-I379 HydrophobicContact CD1-CD1 4.09Å; I379-V560 HydrophobicContact CD1-CG1 3.77Å; I379-V560 HydrophobicContact CG2-CG2 4.22Å; I379-L575 HydrophobicContact CD1-CD1 3.94Å; I379-L575 HydrophobicContact CG1-CD1 4.24Å; I379-S576 PolarHBondContact N-O 3.17Å; I379-L577 HydrophobicContact CB-CG 4.4Å; I379-L577 HydrophobicContact CG2-CG 4.43Å; I379-L577 CarbonylContact O-C 3.46Å; I379-L577 VanDerWaalsContact O-CA 3.3Å; I379-L577 WeakPolarHBondContact O-CA 3.43Å; I379-Y578 PolarHBondContact O-N 3.38Å
380	K	94.6	Very high	88.5	Confident	81 Å²	81	31.8 Å²	31.8	35%	0.352	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.7	176.3	-176.1	166.9	-175.4	170.3	0	111.2	I355 T356 S357 L382	I355-K380 PolarHBondContact O-N 3.12Å; T356-K380 CarbonylContact C-O 3.44Å; T356-K380 VanDerWaalsContact CA-O 3.28Å; T356-K380 WeakPolarHBondContact CA-O 3.42Å; S357-K380 PolarHBondContact N-O 2.96Å; K380-L382 HydrophobicContact CD-CD2 4.18Å; K380-L382 HydrophobicContact CG-CD2 4.02Å
381	L	93.3	Very high	87.3	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.1	174.8	-62.2	170.9	0	0	0	109.2	S357 I362 E559 V560 L577 Y578 N579 P580 W581	S357-L381 WeakPolarHBondContact O-CA 3.31Å; I362-L381 HydrophobicContact CD1-CD2 4.33Å; L381-E559 HydrophobicContact CD1-CB 4.28Å; L381-E559 WeakPolarHBondContact CD1-OE2 3.22Å; L381-V560 HydrophobicContact CD1-CG2 4.47Å; L381-L577 HydrophobicContact CD1-CD2 4.38Å; L381-Y578 PolarHBondContact N-O 3.43Å; L381-N579 WeakPolarHBondContact CB-O 3.49Å; L381-P580 HydrophobicContact CD1-CB 4.25Å; L381-W581 HydrophobicContact CB-CE3 4.09Å; L381-W581 HydrophobicContact CB-CH2 4.05Å; L381-W581 HydrophobicContact CB-CZ3 3.7Å
382	L	89.8	Confident	86	Confident	16 Å²	16	38.2 Å²	38.2	8%	0.084	19%	0.19	C	C	.	.			trans	-109.7	120.1	-174.6	-63.9	-175.6	0	0	0	111	R333 T356 S357 I358 K380 H386 W581	R333-L382 HydrophobicContact CG-CD1 4.18Å; T356-L382 HydrophobicContact CG2-CD1 3.38Å; T356-L382 HydrophobicContact CG2-CD2 4.14Å; T356-L382 HydrophobicContact CG2-CG 3.61Å; S357-L382 PolarHBondContact O-N 2.76Å; I358-L382 HydrophobicContact CG2-CB 3.87Å; I358-L382 HydrophobicContact CG2-CD1 4.06Å; K380-L382 HydrophobicContact CD-CD2 4.18Å; K380-L382 HydrophobicContact CG-CD2 4.02Å; L382-H386 HydrophobicContact CD2-CB 4.38Å; L382-W581 VanDerWaalsContact C-CZ3 3.44Å; L382-W581 WeakPolarHBondContact O-CH2 3.32Å; L382-W581 VanDerWaalsContact O-CZ3 3.27Å; L382-W581 WeakPolarHBondContact O-CZ3 3.46Å
383	S	82.5	Confident	85	Confident	11 Å²	11	38.6 Å²	38.6	8%	0.077	19%	0.192	C	C	.	.			trans	-156	163.3	178.7	159.5	0	0	0	0	110.7	H386 L452 R662	S383-H386 PolarHBondContact O-N 3.29Å; S383-L452 WeakPolarHBondContact CB-O 3.3Å; S383-L452 PolarHBondContact OG-O 3.29Å; S383-R662 PolarHBondContact OG-NH2 3.26Å
384	G	75.4	Confident	83.8	Confident	6 Å²	6	41 Å²	41	6%	0.062	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	62	-128.5	174.8	0	0	0	0	0	111	H386 Y387 L452	G384-H386 PolarHBondContact O-N 2.93Å; G384-Y387 CarbonylContact O-C 3.58Å; G384-Y387 PolarHBondContact O-N 3.44Å; G384-Y387 VanDerWaalsContact O-O 3.05Å; G384-L452 PolarHBondContact N-O 3.2Å
385	P	65.6	Low	82.7	Confident	29 Å²	29	42.6 Å²	42.6	19%	0.188	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.3	-19.4	-175.9	-26.3	37.8	0	0	0	115.9	Y387 K508 L661	P385-Y387 VanDerWaalsContact C-N 3.35Å; P385-K508 HydrophobicContact CB-CD 3.6Å; P385-K508 HydrophobicContact CG-CB 4.47Å; P385-K508 HydrophobicContact CG-CD 3.92Å; P385-K508 PolarHBondContact O-NZ 3.32Å; P385-L661 HydrophobicContact CB-CD1 4.07Å; P385-L661 HydrophobicContact CG-CB 4.18Å; P385-L661 HydrophobicContact CG-CD1 3.41Å; P385-L661 VanDerWaalsContact CG-CD1 3.41Å; P385-L661 HydrophobicContact CG-CD2 3.28Å; P385-L661 HydrophobicContact CG-CG 3.72Å
386	H	73.8	Confident	81.3	Confident	89 Å²	89	43.1 Å²	43.1	41%	0.412	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-81.1	-17.5	-177.4	-59.9	-51	0	0	0	112.9	L382 S383 G384	L382-H386 HydrophobicContact CD2-CB 4.38Å; S383-H386 PolarHBondContact O-N 3.29Å; G384-H386 PolarHBondContact O-N 2.93Å
387	Y	80.7	Confident	79.7	Confident	33 Å²	33	48 Å²	48	13%	0.129	24%	0.239	C	C	.	.			trans	-155.8	115.3	177.7	-173	-99	0	0	0	110.9	I358 G384 P385 W389	I358-Y387 HydrophobicContact CB-CD1 4.38Å; I358-Y387 HydrophobicContact CB-CE1 4.36Å; I358-Y387 HydrophobicContact CD1-CE1 3.86Å; I358-Y387 HydrophobicContact CG2-CD1 3.79Å; I358-Y387 HydrophobicContact CG2-CD2 4.08Å; I358-Y387 HydrophobicContact CG2-CE1 3.91Å; I358-Y387 HydrophobicContact CG2-CE2 4.21Å; I358-Y387 HydrophobicContact CG2-CG 3.88Å; G384-Y387 CarbonylContact O-C 3.58Å; G384-Y387 PolarHBondContact O-N 3.44Å; G384-Y387 VanDerWaalsContact O-O 3.05Å; P385-Y387 VanDerWaalsContact C-N 3.35Å; Y387-W389 HydrophobicContact CD1-CG 4.42Å; Y387-W389 AromaticContact CD1-NE1 3.95Å; Y387-W389 HydrophobicContact CE1-CD2 4.1Å; Y387-W389 HydrophobicContact CE1-CG 4.12Å
388	H	81.2	Confident	78.3	Confident	92 Å²	92	54.7 Å²	54.7	43%	0.426	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-92.1	131.5	170.8	177.9	51.8	0	0	0	109.4	P390 E453 I455	H388-P390 WeakPolarHBondContact O-CD 3.4Å; H388-E453 WeakPolarHBondContact CA-OE1 3.24Å; H388-E453 IonicContact CE1-OE1 3.03Å; H388-E453 IonicContact CG-OE1 3.27Å; H388-E453 VanDerWaalsContact ND1-CD 3.32Å; H388-E453 IonicContact ND1-OE1 2.68Å; H388-E453 PolarHBondContact ND1-OE1 2.9Å; H388-E453 IonicContact ND1-OE2 3.86Å; H388-E453 PolarHBondContact ND1-OE2 2.99Å; H388-I455 WeakPolarHBondContact CE1-CD1 3.31Å; H388-I455 WeakPolarHBondContact ND1-CD1 3.37Å
389	W	80.9	Confident	77.1	Confident	2 Å²	2	58 Å²	58	1%	0.008	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-77.8	121.4	177.6	-72.4	74.7	0	0	0	110.6	I358 M359 Y387 T393 F396 L418 L452 E453 L547	I358-W389 HydrophobicContact CB-CZ2 4.45Å; I358-W389 HydrophobicContact CD1-CH2 3.89Å; I358-W389 HydrophobicContact CD1-CZ2 4.09Å; I358-W389 HydrophobicContact CD1-CZ3 4.34Å; M359-W389 HydrophobicContact CG-CH2 3.85Å; M359-W389 HydrophobicContact CG-CZ2 4.27Å; M359-W389 HydrophobicContact SD-CH2 4.18Å; Y387-W389 HydrophobicContact CD1-CG 4.42Å; Y387-W389 AromaticContact CD1-NE1 3.95Å; Y387-W389 HydrophobicContact CE1-CD2 4.1Å; Y387-W389 HydrophobicContact CE1-CG 4.12Å; W389-T393 HydrophobicContact CE3-CG2 4.04Å; W389-T393 HydrophobicContact CZ3-CG2 4.14Å; W389-F396 HydrophobicContact CB-CE2 3.55Å; W389-F396 HydrophobicContact CB-CZ 3.57Å; W389-F396 HydrophobicContact CD2-CZ 4.42Å; W389-F396 HydrophobicContact CE3-CE2 4.4Å; W389-F396 HydrophobicContact CE3-CZ 4.36Å; W389-F396 HydrophobicContact CG-CE2 4.43Å; W389-F396 HydrophobicContact CG-CZ 4.14Å; W389-L418 HydrophobicContact CZ3-CD1 4.29Å; W389-L452 HydrophobicContact CZ2-CD1 3.76Å; W389-E453 PolarHBondContact N-OE2 2.89Å; W389-E453 VanDerWaalsContact N-OE2 3.09Å; W389-L547 HydrophobicContact CB-CD2 4.31Å; W389-L547 HydrophobicContact CD2-CD2 3.73Å; W389-L547 HydrophobicContact CE3-CD2 4.47Å; W389-L547 HydrophobicContact CG-CD2 3.61Å
390	P	81.2	Confident	76.3	Confident	60 Å²	60	58.4 Å²	58.4	39%	0.39	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-60.8	141.4	175.6	-21	31.8	0	0	0	111.7	H388 E392 T393 F396	H388-P390 WeakPolarHBondContact O-CD 3.4Å; P390-E392 PolarHBondContact O-N 2.95Å; P390-T393 WeakPolarHBondContact CD-OG1 3.45Å; P390-T393 VanDerWaalsContact O-CB 3.3Å; P390-T393 WeakPolarHBondContact O-CB 3.34Å; P390-T393 PolarHBondContact O-N 3.47Å; P390-T393 VanDerWaalsContact O-N 3.11Å; P390-T393 PolarHBondContact O-OG1 3.05Å; P390-F396 WeakPolarHBondContact O-CD2 3.43Å; P390-F396 VanDerWaalsContact O-CE2 3.32Å; P390-F396 WeakPolarHBondContact O-CE2 3.44Å
391	E	72.4	Confident	76	Confident	123 Å²	123	57.8 Å²	57.8	58%	0.575	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.6	-179.8	-56.8	-160.9	143.6	0	0	112.9	T393 R545	E391-T393 PolarHBondContact O-N 2.98Å; E391-R545 IonicContact OE1-CZ 3.36Å; E391-R545 IonicContact OE1-NH1 3.86Å; E391-R545 PolarHBondContact OE1-NH1 3.08Å; E391-R545 IonicContact OE1-NH2 2.97Å; E391-R545 PolarHBondContact OE1-NH2 2.66Å
392	E	69.6	Low	75.6	Confident	169 Å²	169	60.6 Å²	60.6	79%	0.79	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	7.5	178.4	-59.8	171	179.7	0	0	113.8	P390 L394	P390-E392 PolarHBondContact O-N 2.95Å; E392-L394 PolarHBondContact O-N 3.17Å; E392-L394 VanDerWaalsContact O-N 3.17Å
393	T	72.4	Confident	75.4	Confident	7 Å²	7	60 Å²	60	4%	0.043	29%	0.291	C	S	.	.			trans	-61.3	122.6	-179.1	-58.7	0	0	0	0	109.6	W389 P390 E391 E395 F396 I397	W389-T393 HydrophobicContact CE3-CG2 4.04Å; W389-T393 HydrophobicContact CZ3-CG2 4.14Å; P390-T393 WeakPolarHBondContact CD-OG1 3.45Å; P390-T393 VanDerWaalsContact O-CB 3.3Å; P390-T393 WeakPolarHBondContact O-CB 3.34Å; P390-T393 PolarHBondContact O-N 3.47Å; P390-T393 VanDerWaalsContact O-N 3.11Å; P390-T393 PolarHBondContact O-OG1 3.05Å; E391-T393 PolarHBondContact O-N 2.98Å; T393-E395 HydrophobicContact CG2-CB 4.07Å; T393-E395 WeakPolarHBondContact CG2-OE2 3.35Å; T393-E395 PolarHBondContact O-N 2.91Å; T393-E395 VanDerWaalsContact O-N 3.09Å; T393-F396 HydrophobicContact CG2-CD2 4.45Å; T393-F396 WeakPolarHBondContact O-CA 3.46Å; T393-F396 VanDerWaalsContact O-CB 3.31Å; T393-F396 WeakPolarHBondContact O-CB 3.14Å; T393-F396 PolarHBondContact O-N 2.97Å; T393-I397 PolarHBondContact O-N 2.87Å
394	L	68.9	Low	75.4	Confident	118 Å²	118	60.4 Å²	60.4	62%	0.618	29%	0.293	S	S	*	.	H	α-helix	trans	-55	-34.5	-175.2	-139.9	90.5	0	0	0	112.3	E392 F396 I397 H398	E392-L394 PolarHBondContact O-N 3.17Å; E392-L394 VanDerWaalsContact O-N 3.17Å; L394-F396 VanDerWaalsContact C-N 3.31Å; L394-F396 PolarHBondContact O-N 2.82Å; L394-I397 PolarHBondContact O-N 2.89Å; L394-H398 PolarHBondContact O-N 3.22Å
395	E	69.6	Low	75.7	Confident	34 Å²	34	65.5 Å²	65.5	16%	0.159	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-31.5	176	-61.7	86.9	156.4	0	0	112.7	R335 T393 K399 A400 L418	R335-E395 WeakPolarHBondContact CD-OE1 3.29Å; T393-E395 HydrophobicContact CG2-CB 4.07Å; T393-E395 WeakPolarHBondContact CG2-OE2 3.35Å; T393-E395 PolarHBondContact O-N 2.91Å; T393-E395 VanDerWaalsContact O-N 3.09Å; E395-K399 PolarHBondContact O-N 3.16Å; E395-A400 PolarHBondContact O-N 2.91Å; E395-L418 HydrophobicContact CB-CD1 4.28Å
396	F	66	Low	75.8	Confident	15 Å²	15	70.9 Å²	70.9	7%	0.066	35%	0.346	C	S	.	.	H	α-helix	trans	-70.3	-45.2	171.8	-75.5	-50.4	0	0	0	112.1	W389 P390 T393 L394 H398 A400 L418 I420 L547	W389-F396 HydrophobicContact CB-CE2 3.55Å; W389-F396 HydrophobicContact CB-CZ 3.57Å; W389-F396 HydrophobicContact CD2-CZ 4.42Å; W389-F396 HydrophobicContact CE3-CE2 4.4Å; W389-F396 HydrophobicContact CE3-CZ 4.36Å; W389-F396 HydrophobicContact CG-CE2 4.43Å; W389-F396 HydrophobicContact CG-CZ 4.14Å; P390-F396 WeakPolarHBondContact O-CD2 3.43Å; P390-F396 VanDerWaalsContact O-CE2 3.32Å; P390-F396 WeakPolarHBondContact O-CE2 3.44Å; T393-F396 HydrophobicContact CG2-CD2 4.45Å; T393-F396 WeakPolarHBondContact O-CA 3.46Å; T393-F396 VanDerWaalsContact O-CB 3.31Å; T393-F396 WeakPolarHBondContact O-CB 3.14Å; T393-F396 PolarHBondContact O-N 2.97Å; L394-F396 VanDerWaalsContact C-N 3.31Å; L394-F396 PolarHBondContact O-N 2.82Å; F396-H398 PolarHBondContact O-N 3.38Å; F396-A400 HydrophobicContact CD1-CB 4.32Å; F396-A400 VanDerWaalsContact O-CB 3.28Å; F396-A400 WeakPolarHBondContact O-CB 3.49Å; F396-L418 HydrophobicContact CD1-CD1 4.25Å; F396-L418 HydrophobicContact CE1-CD1 4.3Å; F396-I420 HydrophobicContact CD1-CD1 3.58Å; F396-I420 HydrophobicContact CD1-CG1 4.29Å; F396-I420 HydrophobicContact CE1-CD1 3.84Å; F396-I420 HydrophobicContact CE1-CG1 4.2Å; F396-I420 HydrophobicContact CG-CD1 4.47Å; F396-L547 HydrophobicContact CE1-CD1 3.58Å; F396-L547 HydrophobicContact CE1-CD2 3.97Å; F396-L547 HydrophobicContact CE1-CG 4.36Å; F396-L547 HydrophobicContact CZ-CD1 4.28Å; F396-L547 HydrophobicContact CZ-CD2 3.84Å
397	I	63.4	Low	75.5	Confident	102 Å²	102	68.9 Å²	68.9	52%	0.523	35%	0.349	S	S	.	.	H	α-helix	trans	-68.4	-38.3	-170.3	-60.6	170.6	0	0	0	111	T393 L394	T393-I397 PolarHBondContact O-N 2.87Å; L394-I397 PolarHBondContact O-N 2.89Å
398	H	67.7	Low	74.7	Confident	141 Å²	141	72.9 Å²	72.9	65%	0.653	38%	0.382	S	S	*	.	H	α-helix	trans	-106.1	-22.9	-171.1	-65.2	-57	0	0	0	115.8	L394 F396	L394-H398 PolarHBondContact O-N 3.22Å; F396-H398 PolarHBondContact O-N 3.38Å
399	K	73.5	Confident	74.1	Confident	88 Å²	88	69.7 Å²	69.7	38%	0.383	37%	0.368	S	S	.	.	H	α-helix	trans	-128.9	-1.4	-170.1	-66.5	-169.5	177.1	-173.3	0	114.6	E264 E395	E264-K399 IonicContact OE1-NZ 3.14Å; E264-K399 PolarHBondContact OE1-NZ 3.34Å; E264-K399 IonicContact OE2-NZ 3.74Å; E264-K399 PolarHBondContact OE2-NZ 2.7Å; E395-K399 PolarHBondContact O-N 3.16Å
400	A	80.7	Confident	73.7	Confident	11 Å²	11	72.9 Å²	72.9	9%	0.091	39%	0.389	C	S	.	.			trans	-84.5	142.7	179.1	0	0	0	0	0	112.4	E395 F396 W402 L418 I420	E395-A400 PolarHBondContact O-N 2.91Å; F396-A400 HydrophobicContact CD1-CB 4.32Å; F396-A400 VanDerWaalsContact O-CB 3.28Å; F396-A400 WeakPolarHBondContact O-CB 3.49Å; A400-W402 WeakPolarHBondContact O-CZ3 2.99Å; A400-L418 CarbonylContact C-O 3.59Å; A400-L418 VanDerWaalsContact CA-O 3.25Å; A400-L418 WeakPolarHBondContact CA-O 3.25Å; A400-L418 HydrophobicContact CB-CB 4.23Å; A400-I420 HydrophobicContact CB-CD1 3.9Å; A400-I420 HydrophobicContact CB-CG1 4.2Å
401	Y	86.9	Confident	73	Confident	67.5 Å²	67.5	74.6 Å²	74.6	27%	0.265	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	155.2	170.3	-64.3	-88.1	0	0	0	110	I409 P410 F417 L418 M419 I420	Y401-I409 HydrophobicContact CD1-CD1 4.23Å; Y401-I409 HydrophobicContact CD1-CG1 3.86Å; Y401-I409 HydrophobicContact CD2-CD1 4.21Å; Y401-I409 HydrophobicContact CD2-CG1 4.33Å; Y401-I409 HydrophobicContact CE1-CG1 4Å; Y401-I409 HydrophobicContact CG-CD1 3.96Å; Y401-I409 HydrophobicContact CG-CG1 4.13Å; Y401-P410 WeakPolarHBondContact OH-CD 3.48Å; Y401-F417 HydrophobicContact CD2-CB 4.36Å; Y401-F417 AromaticContact CD2-CD2 3.37Å; Y401-F417 HydrophobicContact CD2-CD2 3.37Å; Y401-F417 VanDerWaalsContact CD2-CD2 3.4Å; Y401-F417 AromaticContact CD2-CE2 3.64Å; Y401-F417 HydrophobicContact CD2-CE2 3.64Å; Y401-F417 AromaticContact CD2-CG 3.92Å; Y401-F417 HydrophobicContact CD2-CG 4Å; Y401-F417 HydrophobicContact CD2-CZ 4.45Å; Y401-F417 HydrophobicContact CE2-CB 4.3Å; Y401-F417 HydrophobicContact CE2-CD1 4.38Å; Y401-F417 AromaticContact CE2-CD2 3.81Å; Y401-F417 HydrophobicContact CE2-CD2 3.81Å; Y401-F417 HydrophobicContact CE2-CE2 4.15Å; Y401-F417 AromaticContact CE2-CG 3.87Å; Y401-F417 HydrophobicContact CE2-CG 3.97Å; Y401-F417 HydrophobicContact CG-CD2 4.45Å; Y401-F417 HydrophobicContact CG-CE2 4.42Å; Y401-L418 PolarHBondContact N-O 3.19Å; Y401-M419 CarbonylContact O-C 3.51Å; Y401-M419 VanDerWaalsContact O-CA 3.25Å; Y401-M419 WeakPolarHBondContact O-CA 3.28Å; Y401-I420 PolarHBondContact O-N 3.19Å
402	W	85.7	Confident	73	Confident	58.5 Å²	58.5	71.7 Å²	71.7	22%	0.222	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.7	179.2	-75	-98.5	0	0	0	110.7	A400 C404 R405 I420 E422	A400-W402 WeakPolarHBondContact O-CZ3 2.99Å; W402-C404 VanDerWaalsContact C-N 3.27Å; W402-C404 PolarHBondContact O-N 3.16Å; W402-R405 HydrophobicContact CB-CB 3.76Å; W402-R405 HydrophobicContact CB-CG 3.63Å; W402-R405 HydrophobicContact CG-CB 4.45Å; W402-R405 HydrophobicContact CG-CG 3.97Å; W402-R405 PolarHBondContact O-N 2.74Å; W402-I420 WeakPolarHBondContact CA-O 3.42Å; W402-I420 HydrophobicContact CD2-CD1 4.36Å; W402-I420 HydrophobicContact CG-CB 4.46Å; W402-I420 HydrophobicContact CH2-CD1 4.49Å; W402-I420 HydrophobicContact CZ2-CD1 3.96Å; W402-E422 VanDerWaalsContact CD1-OE1 3.29Å; W402-E422 PolarHBondContact NE1-OE1 3.3Å
403	V	85.3	Confident	73.5	Confident	4.5 Å²	4.5	63.7 Å²	63.7	3%	0.027	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-37.7	-179.5	-175.9	0	0	0	0	111.8	M419 I420 A421 C434 F436 I524 F526	V403-M419 HydrophobicContact CG2-CG 3.71Å; V403-M419 HydrophobicContact CG2-SD 3.66Å; V403-I420 PolarHBondContact N-O 3.34Å; V403-A421 HydrophobicContact CB-CB 4.36Å; V403-A421 HydrophobicContact CG2-CB 3.86Å; V403-C434 HydrophobicContact CG1-CB 4.29Å; V403-C434 VanDerWaalsContact CG1-SG 3.57Å; V403-F436 HydrophobicContact CB-CB 4.47Å; V403-F436 HydrophobicContact CG1-CB 3.87Å; V403-I524 HydrophobicContact CG2-CG2 4.34Å; V403-F526 HydrophobicContact CB-CB 4.49Å; V403-F526 HydrophobicContact CG1-CB 3.93Å
404	C	83.7	Confident	74.1	Confident	19.5 Å²	19.5	66.1 Å²	66.1	13%	0.132	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	3.5	-175.2	-73.3	0	0	0	0	114.9	W402 P424 C434 F526	W402-C404 VanDerWaalsContact C-N 3.27Å; W402-C404 PolarHBondContact O-N 3.16Å; C404-P424 HydrophobicContact CB-CG 3.51Å; C404-P424 VanDerWaalsContact CB-CG 3.42Å; C404-P424 WeakPolarHBondContact O-CG 3.29Å; C404-C434 VanDerWaalsContact CA-SG 3.51Å; C404-C434 WeakPolarHBondContact CA-SG 3.15Å; C404-C434 HydrophobicContact CB-CB 3.94Å; C404-C434 WeakPolarHBondContact CB-SG 3.41Å; C404-C434 WeakPolarHBondContact SG-CB 3.44Å; C404-C434 CovalentContact SG-SG 2.05Å; C404-C434 PolarHBondContact SG-SG 2.93Å; C404-F526 VanDerWaalsContact SG-CD1 3.59Å
405	R	81.7	Confident	75	Confident	113.5 Å²	113.5	60.5 Å²	60.5	43%	0.428	35%	0.349	S	S	.	.	S	Bend	trans	-98	139.1	175.5	-62.5	-176.1	-174.2	176.3	3.2	109.6	W402 G407 E422 P424	W402-R405 HydrophobicContact CB-CB 3.76Å; W402-R405 HydrophobicContact CB-CG 3.63Å; W402-R405 HydrophobicContact CG-CB 4.45Å; W402-R405 HydrophobicContact CG-CG 3.97Å; W402-R405 PolarHBondContact O-N 2.74Å; R405-G407 PolarHBondContact O-N 3.26Å; R405-G407 VanDerWaalsContact O-N 3.11Å; R405-E422 IonicContact CZ-OE1 3.7Å; R405-E422 IonicContact NH2-OE1 2.85Å; R405-E422 PolarHBondContact NH2-OE1 3.14Å; R405-P424 HydrophobicContact CG-CB 4.16Å; R405-P424 HydrophobicContact CG-CG 4.4Å
406	P	67.4	Low	75.9	Confident	142 Å²	142	59.9 Å²	59.9	92%	0.922	35%	0.348	S	S	*	.	S	Bend	trans	-60.9	116.4	172.2	3.1	-0.9	0	0	0	109.7
407	G	67.6	Low	77	Confident	47 Å²	47	59.7 Å²	59.7	49%	0.485	35%	0.347	S	S	.	.			trans	-178.6	124.4	177.3	0	0	0	0	0	108.9	R405 I409 F436	R405-G407 PolarHBondContact O-N 3.26Å; R405-G407 VanDerWaalsContact O-N 3.11Å; G407-I409 PolarHBondContact O-N 3.13Å; G407-F436 WeakPolarHBondContact O-CE2 3.14Å; G407-F436 WeakPolarHBondContact O-CZ 3.37Å
408	S	62.8	Low	78.3	Confident	116.5 Å²	116.5	55.3 Å²	55.3	82%	0.815	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-84.6	130.7	175.1	-56.1	0	0	0	0	108.8
409	I	69.2	Low	79.3	Confident	25 Å²	25	48.6 Å²	48.6	13%	0.128	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-60.9	133	161.9	-69.6	176.1	0	0	0	106.7	Y401 G407 P413 F417 M419 F436 V438	Y401-I409 HydrophobicContact CD1-CD1 4.23Å; Y401-I409 HydrophobicContact CD1-CG1 3.86Å; Y401-I409 HydrophobicContact CD2-CD1 4.21Å; Y401-I409 HydrophobicContact CD2-CG1 4.33Å; Y401-I409 HydrophobicContact CE1-CG1 4Å; Y401-I409 HydrophobicContact CG-CD1 3.96Å; Y401-I409 HydrophobicContact CG-CG1 4.13Å; G407-I409 PolarHBondContact O-N 3.13Å; I409-P413 HydrophobicContact CG2-CB 3.5Å; I409-P413 VanDerWaalsContact CG2-CB 3.45Å; I409-P413 HydrophobicContact CG2-CG 3.64Å; I409-F417 HydrophobicContact CD1-CE2 4.01Å; I409-F417 HydrophobicContact CD1-CZ 3.71Å; I409-F417 HydrophobicContact CG1-CZ 4.49Å; I409-M419 HydrophobicContact CD1-CE 3.98Å; I409-F436 HydrophobicContact CB-CE1 4.09Å; I409-F436 HydrophobicContact CB-CZ 4.24Å; I409-F436 HydrophobicContact CD1-CD1 4.29Å; I409-F436 HydrophobicContact CD1-CE1 3.4Å; I409-F436 HydrophobicContact CD1-CZ 4.12Å; I409-F436 HydrophobicContact CG1-CE1 3.54Å; I409-F436 VanDerWaalsContact CG1-CE1 3.48Å; I409-F436 HydrophobicContact CG1-CZ 3.75Å; I409-V438 HydrophobicContact CD1-CB 4.02Å; I409-V438 HydrophobicContact CD1-CG1 3.82Å; I409-V438 HydrophobicContact CD1-CG2 3.95Å
410	P	71	Confident	80.1	Confident	69 Å²	69	44.6 Å²	44.6	45%	0.448	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-54.8	150.3	174.9	21.8	-32.4	0	0	0	110.7	Y401 S412 P413	Y401-P410 WeakPolarHBondContact OH-CD 3.48Å; P410-S412 PolarHBondContact O-N 3.28Å; P410-P413 HydrophobicContact CG-CB 4.47Å; P410-P413 VanDerWaalsContact O-CD 3.31Å; P410-P413 WeakPolarHBondContact O-CD 3.37Å
411	A	67.8	Low	80.4	Confident	95.5 Å²	95.5	44 Å²	44	79%	0.789	27%	0.272	S	S	*	.	S	Bend	trans	-54.6	-26.5	-175.9	0	0	0	0	0	114.1	P413	A411-P413 WeakPolarHBondContact O-CD 3.43Å
412	S	72.1	Confident	80.4	Confident	62 Å²	62	41.3 Å²	41.3	43%	0.434	26%	0.262	S	S	.	.	S	Bend	trans	-124.8	87.8	171.8	-118	0	0	0	0	109.9	P410 D441	P410-S412 PolarHBondContact O-N 3.28Å; S412-D441 WeakPolarHBondContact CB-OD2 3.28Å; S412-D441 VanDerWaalsContact OG-CG 3.23Å; S412-D441 PolarHBondContact OG-OD2 3.11Å
413	P	79.8	Confident	80	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.013	25%	0.252	C	S	.	.			trans	-73.1	150.7	177.4	22.9	-23	0	0	0	112.3	I409 P410 A411 F415 F417 A439	I409-P413 HydrophobicContact CG2-CB 3.5Å; I409-P413 VanDerWaalsContact CG2-CB 3.45Å; I409-P413 HydrophobicContact CG2-CG 3.64Å; P410-P413 HydrophobicContact CG-CB 4.47Å; P410-P413 VanDerWaalsContact O-CD 3.31Å; P410-P413 WeakPolarHBondContact O-CD 3.37Å; A411-P413 WeakPolarHBondContact O-CD 3.43Å; P413-F415 HydrophobicContact CB-CE2 4.02Å; P413-F415 HydrophobicContact CB-CZ 4.2Å; P413-F415 HydrophobicContact CG-CD2 4.45Å; P413-F415 HydrophobicContact CG-CE1 4.39Å; P413-F415 HydrophobicContact CG-CE2 3.68Å; P413-F415 HydrophobicContact CG-CZ 3.73Å; P413-F415 VanDerWaalsContact O-CD2 3.23Å; P413-F415 WeakPolarHBondContact O-CD2 3.41Å; P413-F415 WeakPolarHBondContact O-CE2 3.33Å; P413-F417 HydrophobicContact CB-CD1 4.4Å; P413-F417 HydrophobicContact CB-CE1 4.09Å; P413-F417 HydrophobicContact CG-CE1 4.02Å; P413-A439 WeakPolarHBondContact CG-O 3.37Å
414	V	85	Confident	79	Confident	56 Å²	56	40.1 Å²	40.1	34%	0.339	26%	0.261	S	S	.	.			trans	-85.5	127.4	169.1	176.9	0	0	0	0	108.9	R279 F417	R279-V414 HydrophobicContact CB-CG1 3.56Å; R279-V414 HydrophobicContact CG-CG1 3.72Å; V414-F417 WeakPolarHBondContact O-CD1 3.08Å
415	F	88.3	Confident	78.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-108.7	156.6	178.8	-66.8	-87.6	0	0	0	112	N277 T278 R279 P413 F417 V438 I550 V552	N277-F415 PolarHBondContact O-N 3.06Å; T278-F415 CarbonylContact C-O 3.52Å; T278-F415 VanDerWaalsContact CA-O 3.26Å; T278-F415 WeakPolarHBondContact CA-O 3.46Å; R279-F415 PolarHBondContact N-O 3.39Å; P413-F415 HydrophobicContact CB-CE2 4.02Å; P413-F415 HydrophobicContact CB-CZ 4.2Å; P413-F415 HydrophobicContact CG-CD2 4.45Å; P413-F415 HydrophobicContact CG-CE1 4.39Å; P413-F415 HydrophobicContact CG-CE2 3.68Å; P413-F415 HydrophobicContact CG-CZ 3.73Å; P413-F415 VanDerWaalsContact O-CD2 3.23Å; P413-F415 WeakPolarHBondContact O-CD2 3.41Å; P413-F415 WeakPolarHBondContact O-CE2 3.33Å; F415-F417 AromaticContact CD1-CD1 3.81Å; F415-F417 HydrophobicContact CD1-CD1 3.81Å; F415-F417 AromaticContact CD1-CE1 3.57Å; F415-F417 HydrophobicContact CD1-CE1 3.57Å; F415-F417 HydrophobicContact CE1-CD1 4.1Å; F415-F417 AromaticContact CE1-CE1 3.37Å; F415-F417 HydrophobicContact CE1-CE1 3.37Å; F415-F417 VanDerWaalsContact CE1-CE1 3.41Å; F415-F417 HydrophobicContact CE1-CZ 4.17Å; F415-F417 HydrophobicContact CG-CD1 4.43Å; F415-F417 HydrophobicContact CG-CE1 4.41Å; F415-F417 HydrophobicContact CZ-CE1 4.06Å; F415-V438 HydrophobicContact CE1-CG1 4.32Å; F415-V438 HydrophobicContact CZ-CG1 4.27Å; F415-I550 HydrophobicContact CD1-CG2 4.2Å; F415-I550 HydrophobicContact CE1-CG2 3.83Å; F415-V552 HydrophobicContact CB-CG1 4.44Å; F415-V552 HydrophobicContact CB-CG2 3.61Å; F415-V552 HydrophobicContact CD1-CB 4.5Å; F415-V552 HydrophobicContact CD1-CG1 3.67Å; F415-V552 HydrophobicContact CD1-CG2 4.39Å; F415-V552 HydrophobicContact CD2-CB 4.24Å; F415-V552 HydrophobicContact CD2-CG1 3.61Å; F415-V552 HydrophobicContact CD2-CG2 3.6Å; F415-V552 HydrophobicContact CE1-CG1 3.59Å; F415-V552 HydrophobicContact CE2-CG1 3.54Å; F415-V552 VanDerWaalsContact CE2-CG1 3.5Å; F415-V552 HydrophobicContact CE2-CG2 4.32Å; F415-V552 HydrophobicContact CG-CB 4.2Å; F415-V552 HydrophobicContact CG-CG1 3.66Å; F415-V552 HydrophobicContact CG-CG2 3.63Å; F415-V552 HydrophobicContact CZ-CG1 3.53Å
416	P	89.3	Confident	76.8	Confident	23 Å²	23	38 Å²	38	15%	0.149	27%	0.267	C	S	.	.	S	Bend	cis	-76.2	159.1	-11.5	34.3	-35	0	0	0	111.9	L280 H549 I550 S551	L280-P416 VanDerWaalsContact CD2-CD 3.48Å; L280-P416 HydrophobicContact CD2-CG 3.58Å; P416-H549 WeakPolarHBondContact CB-NE2 3.37Å; P416-I550 CarbonylContact C-O 3.45Å; P416-I550 WeakPolarHBondContact CA-O 3.36Å; P416-I550 WeakPolarHBondContact CB-O 3.11Å; P416-S551 WeakPolarHBondContact CB-OG 3.31Å
417	F	88.6	Confident	76.2	Confident	10 Å²	10	37.4 Å²	37.4	4%	0.044	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.9	172.6	62.6	-96.6	0	0	0	110.9	Y401 I409 P413 V414 F415 M419 V438 I550	Y401-F417 HydrophobicContact CD2-CB 4.36Å; Y401-F417 AromaticContact CD2-CD2 3.37Å; Y401-F417 HydrophobicContact CD2-CD2 3.37Å; Y401-F417 VanDerWaalsContact CD2-CD2 3.4Å; Y401-F417 AromaticContact CD2-CE2 3.64Å; Y401-F417 HydrophobicContact CD2-CE2 3.64Å; Y401-F417 AromaticContact CD2-CG 3.92Å; Y401-F417 HydrophobicContact CD2-CG 4Å; Y401-F417 HydrophobicContact CD2-CZ 4.45Å; Y401-F417 HydrophobicContact CE2-CB 4.3Å; Y401-F417 HydrophobicContact CE2-CD1 4.38Å; Y401-F417 AromaticContact CE2-CD2 3.81Å; Y401-F417 HydrophobicContact CE2-CD2 3.81Å; Y401-F417 HydrophobicContact CE2-CE2 4.15Å; Y401-F417 AromaticContact CE2-CG 3.87Å; Y401-F417 HydrophobicContact CE2-CG 3.97Å; Y401-F417 HydrophobicContact CG-CD2 4.45Å; Y401-F417 HydrophobicContact CG-CE2 4.42Å; I409-F417 HydrophobicContact CD1-CE2 4.01Å; I409-F417 HydrophobicContact CD1-CZ 3.71Å; I409-F417 HydrophobicContact CG1-CZ 4.49Å; P413-F417 HydrophobicContact CB-CD1 4.4Å; P413-F417 HydrophobicContact CB-CE1 4.09Å; P413-F417 HydrophobicContact CG-CE1 4.02Å; V414-F417 WeakPolarHBondContact O-CD1 3.08Å; F415-F417 AromaticContact CD1-CD1 3.81Å; F415-F417 HydrophobicContact CD1-CD1 3.81Å; F415-F417 AromaticContact CD1-CE1 3.57Å; F415-F417 HydrophobicContact CD1-CE1 3.57Å; F415-F417 HydrophobicContact CE1-CD1 4.1Å; F415-F417 AromaticContact CE1-CE1 3.37Å; F415-F417 HydrophobicContact CE1-CE1 3.37Å; F415-F417 VanDerWaalsContact CE1-CE1 3.41Å; F415-F417 HydrophobicContact CE1-CZ 4.17Å; F415-F417 HydrophobicContact CG-CD1 4.43Å; F415-F417 HydrophobicContact CG-CE1 4.41Å; F415-F417 HydrophobicContact CZ-CE1 4.06Å; F417-M419 HydrophobicContact CE2-CB 4.42Å; F417-M419 HydrophobicContact CE2-CE 4.05Å; F417-V438 HydrophobicContact CE1-CG1 4.48Å; F417-V438 HydrophobicContact CZ-CG1 3.94Å; F417-I550 HydrophobicContact CD2-CB 4.42Å; F417-I550 HydrophobicContact CE1-CB 4.43Å; F417-I550 HydrophobicContact CE1-CG2 4.31Å; F417-I550 HydrophobicContact CE2-CB 4.15Å; F417-I550 HydrophobicContact CE2-CD1 3.75Å; F417-I550 HydrophobicContact CE2-CG1 4.35Å; F417-I550 HydrophobicContact CZ-CB 4.16Å; F417-I550 HydrophobicContact CZ-CD1 4.09Å; F417-I550 HydrophobicContact CZ-CG2 4.08Å; F417-I550 PolarHBondContact N-O 3.17Å; F417-I550 PolarHBondContact O-N 3.26Å
418	L	89.3	Confident	75.9	Confident	9.5 Å²	9.5	38.5 Å²	38.5	5%	0.05	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.5	177.9	-63.7	176.2	0	0	0	110	W389 E395 F396 A400 Y401 L452 L547 L548 H549	W389-L418 HydrophobicContact CZ3-CD1 4.29Å; E395-L418 HydrophobicContact CB-CD1 4.28Å; F396-L418 HydrophobicContact CD1-CD1 4.25Å; F396-L418 HydrophobicContact CE1-CD1 4.3Å; A400-L418 CarbonylContact C-O 3.59Å; A400-L418 VanDerWaalsContact CA-O 3.25Å; A400-L418 WeakPolarHBondContact CA-O 3.25Å; A400-L418 HydrophobicContact CB-CB 4.23Å; Y401-L418 PolarHBondContact N-O 3.19Å; L418-L452 HydrophobicContact CD2-CD1 4.1Å; L418-L547 HydrophobicContact CB-CD1 4.06Å; L418-L547 HydrophobicContact CD1-CD1 4.38Å; L418-L547 HydrophobicContact CD2-CD1 4.16Å; L418-L547 HydrophobicContact CG-CD1 4.42Å; L418-L548 CarbonylContact C-O 3.53Å; L418-L548 WeakPolarHBondContact CA-O 3.32Å; L418-H549 HydrophobicContact CD2-CB 4.07Å
419	M	89.7	Confident	76.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.6	172.9	-177.7	178.2	-75.4	0	0	109.7	Y401 V403 I409 F417 F436 V438 I524 L548 I550	Y401-M419 CarbonylContact O-C 3.51Å; Y401-M419 VanDerWaalsContact O-CA 3.25Å; Y401-M419 WeakPolarHBondContact O-CA 3.28Å; V403-M419 HydrophobicContact CG2-CG 3.71Å; V403-M419 HydrophobicContact CG2-SD 3.66Å; I409-M419 HydrophobicContact CD1-CE 3.98Å; F417-M419 HydrophobicContact CE2-CB 4.42Å; F417-M419 HydrophobicContact CE2-CE 4.05Å; M419-F436 HydrophobicContact CE-CD1 3.45Å; M419-F436 HydrophobicContact CE-CE1 3.64Å; M419-F436 HydrophobicContact CE-CG 4.26Å; M419-F436 HydrophobicContact CE-CZ 4.36Å; M419-F436 HydrophobicContact SD-CD1 4.04Å; M419-V438 HydrophobicContact CE-CG2 3.59Å; M419-V438 HydrophobicContact SD-CG2 4.49Å; M419-I524 HydrophobicContact CE-CD1 4.44Å; M419-I524 HydrophobicContact SD-CD1 3.55Å; M419-I524 VanDerWaalsContact SD-CD1 3.55Å; M419-L548 HydrophobicContact CB-CB 4.18Å; M419-L548 HydrophobicContact CG-CD1 4.46Å; M419-L548 PolarHBondContact N-O 2.92Å; M419-L548 WeakPolarHBondContact O-CA 3.25Å; M419-L548 WeakPolarHBondContact O-CB 3.07Å; M419-L548 PolarHBondContact O-N 3.28Å; M419-L548 HydrophobicContact SD-CD1 4.49Å; M419-I550 HydrophobicContact CB-CD1 3.73Å; M419-I550 HydrophobicContact CB-CG1 4.35Å; M419-I550 HydrophobicContact CE-CD1 3.72Å; M419-I550 HydrophobicContact CG-CD1 4.4Å; M419-I550 HydrophobicContact SD-CD1 3.81Å
420	I	89.3	Confident	76.7	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.5	-174	-53.6	165.2	0	0	0	108.2	F396 A400 Y401 W402 V403 E422 R545 L547	F396-I420 HydrophobicContact CD1-CD1 3.58Å; F396-I420 HydrophobicContact CD1-CG1 4.29Å; F396-I420 HydrophobicContact CE1-CD1 3.84Å; F396-I420 HydrophobicContact CE1-CG1 4.2Å; F396-I420 HydrophobicContact CG-CD1 4.47Å; A400-I420 HydrophobicContact CB-CD1 3.9Å; A400-I420 HydrophobicContact CB-CG1 4.2Å; Y401-I420 PolarHBondContact O-N 3.19Å; W402-I420 WeakPolarHBondContact CA-O 3.42Å; W402-I420 HydrophobicContact CD2-CD1 4.36Å; W402-I420 HydrophobicContact CG-CB 4.46Å; W402-I420 HydrophobicContact CH2-CD1 4.49Å; W402-I420 HydrophobicContact CZ2-CD1 3.96Å; V403-I420 PolarHBondContact N-O 3.34Å; I420-E422 HydrophobicContact CG2-CB 4.03Å; I420-E422 HydrophobicContact CG2-CG 3.89Å; I420-R545 HydrophobicContact CG2-CG 4.11Å; I420-L547 HydrophobicContact CG1-CD1 4.12Å
421	A	88.9	Confident	77.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	100.2	166.7	0	0	0	0	0	107.9	V403 I464 F526 R545 A546	V403-A421 HydrophobicContact CB-CB 4.36Å; V403-A421 HydrophobicContact CG2-CB 3.86Å; A421-I464 HydrophobicContact CB-CD1 4.05Å; A421-F526 HydrophobicContact CB-CB 4.26Å; A421-F526 HydrophobicContact CB-CD1 4.28Å; A421-F526 HydrophobicContact CB-CD2 3.93Å; A421-F526 HydrophobicContact CB-CE2 4.31Å; A421-F526 HydrophobicContact CB-CG 3.9Å; A421-R545 CarbonylContact O-C 3.52Å; A421-R545 WeakPolarHBondContact O-CA 3.32Å; A421-A546 HydrophobicContact CB-CB 4.21Å; A421-A546 PolarHBondContact N-O 3.18Å; A421-A546 PolarHBondContact O-N 3.46Å
422	E	86.1	Confident	78.1	Confident	10.5 Å²	10.5	38.1 Å²	38.1	5%	0.049	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.4	176.2	68.8	-178.3	-175.1	0	0	111	W402 R405 I420 P424 N542 I544 R545	W402-E422 VanDerWaalsContact CD1-OE1 3.29Å; W402-E422 PolarHBondContact NE1-OE1 3.3Å; R405-E422 IonicContact CZ-OE1 3.7Å; R405-E422 IonicContact NH2-OE1 2.85Å; R405-E422 PolarHBondContact NH2-OE1 3.14Å; I420-E422 HydrophobicContact CG2-CB 4.03Å; I420-E422 HydrophobicContact CG2-CG 3.89Å; E422-P424 VanDerWaalsContact O-CD 3.25Å; E422-P424 WeakPolarHBondContact O-CD 3.28Å; E422-N542 HydrophobicContact CB-CB 4.24Å; E422-N542 PolarHBondContact OE2-ND2 2.95Å; E422-I544 WeakPolarHBondContact CA-O 3.25Å; E422-I544 WeakPolarHBondContact CB-O 3.39Å; E422-R545 HydrophobicContact CB-CB 4.36Å; E422-R545 HydrophobicContact CB-CG 4.35Å; E422-R545 IonicContact OE2-NE 3.18Å; E422-R545 PolarHBondContact OE2-NE 3.18Å; E422-R545 IonicContact OE2-NH2 3.31Å
423	L	77.4	Confident	78.9	Confident	5.5 Å²	5.5	40 Å²	40	3%	0.029	23%	0.232	C	C	.	.			trans	-71.9	120.3	175	-123.9	145.6	0	0	0	108.9	G425 F428 W528 N542 C543 I544	L423-G425 VanDerWaalsContact C-N 3.34Å; L423-G425 WeakPolarHBondContact CD2-O 3.37Å; L423-G425 PolarHBondContact O-N 3.12Å; L423-F428 HydrophobicContact CD2-CB 3.95Å; L423-F428 HydrophobicContact CD2-CG 4.42Å; L423-F428 HydrophobicContact CG-CB 4.19Å; L423-W528 HydrophobicContact CD1-CB 4.05Å; L423-W528 HydrophobicContact CD1-CD2 4.2Å; L423-W528 HydrophobicContact CD1-CG 3.75Å; L423-W528 HydrophobicContact CD2-CB 4.36Å; L423-W528 VanDerWaalsContact CD2-CD1 3.42Å; L423-W528 HydrophobicContact CD2-CD2 3.43Å; L423-W528 VanDerWaalsContact CD2-CD2 3.43Å; L423-W528 HydrophobicContact CD2-CE3 4.13Å; L423-W528 HydrophobicContact CD2-CG 3.49Å; L423-W528 VanDerWaalsContact CD2-CG 3.49Å; L423-W528 HydrophobicContact CD2-CZ2 3.96Å; L423-W528 VanDerWaalsContact CD2-NE1 3.32Å; L423-W528 HydrophobicContact CG-CB 4.39Å; L423-W528 HydrophobicContact CG-CD2 4.29Å; L423-W528 HydrophobicContact CG-CG 4.01Å; L423-N542 WeakPolarHBondContact CB-O 3.22Å; L423-N542 PolarHBondContact N-O 3.09Å; L423-C543 HydrophobicContact CB-CB 4.31Å; L423-C543 HydrophobicContact CD1-CB 3.99Å; L423-C543 HydrophobicContact CD2-CB 4.48Å; L423-I544 PolarHBondContact N-O 3.35Å
424	P	64.4	Low	79.4	Confident	32 Å²	32	40.9 Å²	40.9	21%	0.208	24%	0.238	C	C	.	.	S	Bend	trans	-75.4	80.5	-178	-1.8	16.8	0	0	0	110.6	C404 R405 E422 F428	C404-P424 HydrophobicContact CB-CG 3.51Å; C404-P424 VanDerWaalsContact CB-CG 3.42Å; C404-P424 WeakPolarHBondContact O-CG 3.29Å; R405-P424 HydrophobicContact CG-CB 4.16Å; R405-P424 HydrophobicContact CG-CG 4.4Å; E422-P424 VanDerWaalsContact O-CD 3.25Å; E422-P424 WeakPolarHBondContact O-CD 3.28Å; P424-F428 HydrophobicContact CB-CD2 4.32Å; P424-F428 HydrophobicContact CB-CE2 3.74Å; P424-F428 HydrophobicContact CB-CZ 4.47Å; P424-F428 HydrophobicContact CG-CD2 4.18Å; P424-F428 HydrophobicContact CG-CE2 3.52Å; P424-F428 HydrophobicContact CG-CZ 3.82Å; P424-F428 VanDerWaalsContact O-CD2 3.25Å; P424-F428 WeakPolarHBondContact O-CD2 3.46Å; P424-F428 VanDerWaalsContact O-CE2 3.25Å; P424-F428 WeakPolarHBondContact O-CE2 3.44Å
425	G	63.8	Low	79.6	Confident	27.5 Å²	27.5	42.5 Å²	42.5	28%	0.284	24%	0.242	S	C	.	.	S	Bend	trans	73.1	175.5	168.9	0	0	0	0	0	116	L423 T427 F428	L423-G425 VanDerWaalsContact C-N 3.34Å; L423-G425 WeakPolarHBondContact CD2-O 3.37Å; L423-G425 PolarHBondContact O-N 3.12Å; G425-T427 VanDerWaalsContact C-N 3.26Å; G425-T427 PolarHBondContact O-N 2.99Å; G425-T427 VanDerWaalsContact O-N 3.09Å; G425-F428 PolarHBondContact O-N 3.46Å
426	P	55.6	Low	79.6	Confident	60.5 Å²	60.5	43.5 Å²	43.5	39%	0.393	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.6	-162.2	1.4	-1.3	0	0	0	115.5	F428 K530 F535 V536	P426-F428 PolarHBondContact O-N 3.06Å; P426-K530 PolarHBondContact O-NZ 3Å; P426-F535 HydrophobicContact CB-CB 3.98Å; P426-F535 HydrophobicContact CB-CD1 3.45Å; P426-F535 VanDerWaalsContact CB-CD1 3.45Å; P426-F535 HydrophobicContact CB-CE1 4.3Å; P426-F535 HydrophobicContact CB-CG 4.1Å; P426-F535 WeakPolarHBondContact O-CD1 3.42Å; P426-V536 HydrophobicContact CB-CB 4.46Å; P426-V536 HydrophobicContact CB-CG1 3.89Å; P426-V536 HydrophobicContact CB-CG2 4.3Å
427	T	53.3	Low	79.6	Confident	129 Å²	129	46.6 Å²	46.6	79%	0.791	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	7.8	-166.5	43.8	0	0	0	0	115.3	G425	G425-T427 VanDerWaalsContact C-N 3.26Å; G425-T427 PolarHBondContact O-N 2.99Å; G425-T427 VanDerWaalsContact O-N 3.09Å
428	F	62.9	Low	79.6	Confident	71.5 Å²	71.5	46.2 Å²	46.2	31%	0.314	26%	0.257	S	S	.	.	S	Bend	trans	-82.5	147.8	178.5	-95.6	-92.6	0	0	0	113.3	L423 P424 G425 P426 W528 K530	L423-F428 HydrophobicContact CD2-CB 3.95Å; L423-F428 HydrophobicContact CD2-CG 4.42Å; L423-F428 HydrophobicContact CG-CB 4.19Å; P424-F428 HydrophobicContact CB-CD2 4.32Å; P424-F428 HydrophobicContact CB-CE2 3.74Å; P424-F428 HydrophobicContact CB-CZ 4.47Å; P424-F428 HydrophobicContact CG-CD2 4.18Å; P424-F428 HydrophobicContact CG-CE2 3.52Å; P424-F428 HydrophobicContact CG-CZ 3.82Å; P424-F428 VanDerWaalsContact O-CD2 3.25Å; P424-F428 WeakPolarHBondContact O-CD2 3.46Å; P424-F428 VanDerWaalsContact O-CE2 3.25Å; P424-F428 WeakPolarHBondContact O-CE2 3.44Å; G425-F428 PolarHBondContact O-N 3.46Å; P426-F428 PolarHBondContact O-N 3.06Å; F428-W528 HydrophobicContact CB-CZ2 4.05Å; F428-W528 AromaticContact CD1-CH2 3.71Å; F428-W528 HydrophobicContact CD1-CH2 3.91Å; F428-W528 AromaticContact CD1-CZ2 3.41Å; F428-W528 HydrophobicContact CD1-CZ2 3.41Å; F428-W528 VanDerWaalsContact CD1-CZ2 3.46Å; F428-W528 AromaticContact CE1-CH2 3.88Å; F428-W528 HydrophobicContact CE1-CH2 3.96Å; F428-W528 AromaticContact CE1-CZ2 3.61Å; F428-W528 HydrophobicContact CE1-CZ2 3.93Å; F428-W528 HydrophobicContact CG-CZ2 4.26Å; F428-K530 WeakPolarHBondContact O-CE 3.08Å; F428-K530 PolarHBondContact O-NZ 2.85Å
429	K	71.5	Confident	79.6	Confident	162.5 Å²	162.5	47.7 Å²	47.7	71%	0.707	27%	0.271	S	S	*	.			trans	-50.7	151.1	173.1	-66.1	179.7	179.1	179.5	0	111.5	S431 W528 D533	K429-S431 WeakPolarHBondContact CB-O 3.38Å; K429-S431 PolarHBondContact O-N 2.95Å; K429-S431 VanDerWaalsContact O-N 3.12Å; K429-W528 PolarHBondContact O-NE1 3.16Å; K429-D533 WeakPolarHBondContact CA-OD1 3.4Å
430	T	76.4	Confident	79.5	Confident	46 Å²	46	47.8 Å²	47.8	28%	0.282	27%	0.272	S	S	.	.	S	Bend	trans	-44.1	-44.6	174.5	39.9	0	0	0	0	111.9	N529 K530 T532 D533	T430-N529 CarbonylContact O-C 3.47Å; T430-N529 VanDerWaalsContact O-CA 3.31Å; T430-N529 WeakPolarHBondContact O-CA 3.39Å; T430-N529 PolarHBondContact O-OD1 2.87Å; T430-K530 WeakPolarHBondContact O-CG 3.28Å; T430-K530 PolarHBondContact O-N 3.2Å; T430-T532 VanDerWaalsContact CG2-C 3.44Å; T430-D533 WeakPolarHBondContact CA-OD1 3.46Å; T430-D533 HydrophobicContact CG2-CB 4.37Å; T430-D533 WeakPolarHBondContact CG2-OD1 3.4Å; T430-D533 PolarHBondContact N-OD1 2.85Å; T430-D533 PolarHBondContact OG1-OD1 2.81Å
431	S	82.5	Confident	79.3	Confident	62 Å²	62	51 Å²	51	43%	0.434	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.2	172.9	60.7	0	0	0	0	111.2	K429 W528	K429-S431 WeakPolarHBondContact CB-O 3.38Å; K429-S431 PolarHBondContact O-N 2.95Å; K429-S431 VanDerWaalsContact O-N 3.12Å; S431-W528 VanDerWaalsContact CA-O 3.28Å; S431-W528 WeakPolarHBondContact CA-O 3.4Å
432	G	86.3	Confident	79.1	Confident	26 Å²	26	54 Å²	54	27%	0.268	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174	179.4	174.7	0	0	0	0	0	112.7	F527 W528	G432-F527 WeakPolarHBondContact O-CA 3.4Å; G432-W528 VanDerWaalsContact C-CH2 3.5Å; G432-W528 VanDerWaalsContact CA-CZ2 3.42Å; G432-W528 PolarHBondContact N-O 3.26Å; G432-W528 PolarHBondContact O-N 2.91Å; G432-W528 VanDerWaalsContact O-N 3.1Å
433	M	89.6	Confident	79	Confident	101.5 Å²	101.5	58.2 Å²	58.2	50%	0.5	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	141.3	178.4	124.6	178.7	-127.8	0	0	110	E435 K525 F526 F527	M433-E435 HydrophobicContact SD-CB 4.36Å; M433-K525 HydrophobicContact SD-CD 4.47Å; M433-F526 CarbonylContact C-O 3.48Å; M433-F526 VanDerWaalsContact CA-O 3.26Å; M433-F526 WeakPolarHBondContact CA-O 3.12Å; M433-F527 HydrophobicContact CB-CD1 3.56Å; M433-F527 VanDerWaalsContact CB-CD1 3.46Å; M433-F527 HydrophobicContact CB-CE1 3.7Å; M433-F527 HydrophobicContact CB-CG 4.22Å; M433-F527 HydrophobicContact CB-CZ 4.37Å; M433-F527 HydrophobicContact CE-CE1 4.16Å; M433-F527 HydrophobicContact CE-CZ 4.3Å; M433-F527 HydrophobicContact CG-CD1 4.06Å; M433-F527 HydrophobicContact CG-CD2 4.26Å; M433-F527 HydrophobicContact CG-CE1 3.83Å; M433-F527 VanDerWaalsContact CG-CE1 3.49Å; M433-F527 HydrophobicContact CG-CE2 4.09Å; M433-F527 HydrophobicContact CG-CG 4.06Å; M433-F527 HydrophobicContact CG-CZ 3.71Å
434	C	89.1	Confident	79.3	Confident	21 Å²	21	62.4 Å²	62.4	14%	0.142	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.5	166.5	8	0	0	0	0	108.4	V403 C404 K525 F526 W528	V403-C434 HydrophobicContact CG1-CB 4.29Å; V403-C434 VanDerWaalsContact CG1-SG 3.57Å; C404-C434 VanDerWaalsContact CA-SG 3.51Å; C404-C434 WeakPolarHBondContact CA-SG 3.15Å; C404-C434 HydrophobicContact CB-CB 3.94Å; C404-C434 WeakPolarHBondContact CB-SG 3.41Å; C404-C434 WeakPolarHBondContact SG-CB 3.44Å; C404-C434 CovalentContact SG-SG 2.05Å; C404-C434 PolarHBondContact SG-SG 2.93Å; C434-K525 CarbonylContact O-C 3.54Å; C434-K525 WeakPolarHBondContact O-CA 3.32Å; C434-F526 PolarHBondContact N-O 2.94Å; C434-F526 PolarHBondContact O-N 3.16Å; C434-W528 HydrophobicContact CB-CZ3 4.35Å; C434-W528 WeakPolarHBondContact SG-CZ3 3.18Å
435	E	88.7	Confident	80.4	Confident	91 Å²	91	60.9 Å²	60.9	43%	0.425	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.6	174.9	71.6	-179	-169.9	0	0	110.9	M433 L523 I524 K525	M433-E435 HydrophobicContact SD-CB 4.36Å; E435-L523 HydrophobicContact CB-CD1 3.81Å; E435-L523 HydrophobicContact CG-CD1 4.18Å; E435-I524 CarbonylContact C-O 3.55Å; E435-I524 VanDerWaalsContact CA-O 3.25Å; E435-I524 WeakPolarHBondContact CA-O 3.2Å; E435-K525 HydrophobicContact CB-CG 3.9Å; E435-K525 VanDerWaalsContact OE2-CE 3.22Å; E435-K525 WeakPolarHBondContact OE2-CE 3.32Å; E435-K525 IonicContact OE2-NZ 3.27Å
436	F	89.5	Confident	81.7	Confident	19.5 Å²	19.5	61.2 Å²	61.2	9%	0.086	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.2	-176	-158.4	-83	0	0	0	110.4	V403 G407 I409 M419 V438 I524	V403-F436 HydrophobicContact CB-CB 4.47Å; V403-F436 HydrophobicContact CG1-CB 3.87Å; G407-F436 WeakPolarHBondContact O-CE2 3.14Å; G407-F436 WeakPolarHBondContact O-CZ 3.37Å; I409-F436 HydrophobicContact CB-CE1 4.09Å; I409-F436 HydrophobicContact CB-CZ 4.24Å; I409-F436 HydrophobicContact CD1-CD1 4.29Å; I409-F436 HydrophobicContact CD1-CE1 3.4Å; I409-F436 HydrophobicContact CD1-CZ 4.12Å; I409-F436 HydrophobicContact CG1-CE1 3.54Å; I409-F436 VanDerWaalsContact CG1-CE1 3.48Å; I409-F436 HydrophobicContact CG1-CZ 3.75Å; M419-F436 HydrophobicContact CE-CD1 3.45Å; M419-F436 HydrophobicContact CE-CE1 3.64Å; M419-F436 HydrophobicContact CE-CG 4.26Å; M419-F436 HydrophobicContact CE-CZ 4.36Å; M419-F436 HydrophobicContact SD-CD1 4.04Å; F436-V438 HydrophobicContact CD1-CG2 4.14Å; F436-V438 HydrophobicContact CE1-CG2 4.47Å; F436-I524 PolarHBondContact N-O 3.14Å; F436-I524 PolarHBondContact O-N 3.14Å
437	H	88.7	Confident	83.5	Confident	89 Å²	89	58.3 Å²	58.3	41%	0.412	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132	-179.3	-63.9	-82.3	0	0	0	110.6	L523	H437-L523 VanDerWaalsContact CE1-CD1 3.45Å; H437-L523 WeakPolarHBondContact CE1-CD1 3.34Å
438	V	89.1	Confident	85.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.9	170.7	-173.4	0	0	0	0	108	I409 F415 F417 M419 F436 I447 A521 I522 I524 I550	I409-V438 HydrophobicContact CD1-CB 4.02Å; I409-V438 HydrophobicContact CD1-CG1 3.82Å; I409-V438 HydrophobicContact CD1-CG2 3.95Å; F415-V438 HydrophobicContact CE1-CG1 4.32Å; F415-V438 HydrophobicContact CZ-CG1 4.27Å; F417-V438 HydrophobicContact CE1-CG1 4.48Å; F417-V438 HydrophobicContact CZ-CG1 3.94Å; M419-V438 HydrophobicContact CE-CG2 3.59Å; M419-V438 HydrophobicContact SD-CG2 4.49Å; F436-V438 HydrophobicContact CD1-CG2 4.14Å; F436-V438 HydrophobicContact CE1-CG2 4.47Å; V438-I447 HydrophobicContact CB-CD1 4.47Å; V438-I447 HydrophobicContact CG1-CD1 4.09Å; V438-A521 WeakPolarHBondContact O-CA 3.24Å; V438-I522 HydrophobicContact CB-CD1 3.97Å; V438-I522 HydrophobicContact CB-CG1 3.7Å; V438-I522 HydrophobicContact CG1-CG1 4.5Å; V438-I522 HydrophobicContact CG2-CD1 4.32Å; V438-I522 HydrophobicContact CG2-CG1 4.39Å; V438-I522 PolarHBondContact N-O 3.26Å; V438-I522 VanDerWaalsContact N-O 3.09Å; V438-I522 WeakPolarHBondContact O-CG1 3.42Å; V438-I522 PolarHBondContact O-N 3.15Å; V438-I524 HydrophobicContact CG2-CD1 4.12Å; V438-I550 HydrophobicContact CG1-CG2 4.22Å; V438-I550 HydrophobicContact CG2-CD1 4.08Å
439	A	89.1	Confident	86.8	Confident	41 Å²	41	48.8 Å²	48.8	34%	0.339	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.6	174.7	0	0	0	0	0	109.8	P413 N520 A521	P413-A439 WeakPolarHBondContact CG-O 3.37Å; A439-N520 CarbonylContact C-O 3.52Å; A439-N520 VanDerWaalsContact CA-O 3.24Å; A439-N520 WeakPolarHBondContact CA-O 3.4Å; A439-A521 HydrophobicContact CB-CB 3.92Å
440	S	87.9	Confident	87.8	Confident	3.5 Å²	3.5	41.4 Å²	41.4	2%	0.024	23%	0.234	C	C	.	.			trans	-93.4	147.7	163	-176.3	0	0	0	0	109.4	N277 Q442 Q445 N520	N277-S440 PolarHBondContact ND2-OG 2.94Å; S440-Q442 VanDerWaalsContact C-N 3.25Å; S440-Q442 PolarHBondContact O-N 2.88Å; S440-Q442 PolarHBondContact OG-N 3.16Å; S440-Q445 PolarHBondContact OG-OE1 3.22Å; S440-N520 PolarHBondContact N-O 3.31Å; S440-N520 PolarHBondContact O-ND2 2.71Å
441	D	84.7	Confident	88.5	Confident	71 Å²	71	39.2 Å²	39.2	38%	0.38	22%	0.221	S	C	.	.	S	Bend	trans	-70.5	-20.7	173.7	57.3	-0.7	0	0	0	112.7	S412	S412-D441 WeakPolarHBondContact CB-OD2 3.28Å; S412-D441 VanDerWaalsContact OG-CG 3.23Å; S412-D441 PolarHBondContact OG-OD2 3.11Å
442	Q	85.4	Confident	88.8	Confident	62.5 Å²	62.5	36.4 Å²	36.4	29%	0.292	20%	0.2	S	C	.	.			trans	-86.9	120.7	176.3	-53.4	-51.3	-55.5	0	0	110.8	Y275 S440 D444 Q445 N520	Y275-Q442 HydrophobicContact CD2-CB 4.02Å; Y275-Q442 HydrophobicContact CD2-CG 3.82Å; Y275-Q442 HydrophobicContact CE2-CB 4.39Å; Y275-Q442 HydrophobicContact CG-CG 3.92Å; S440-Q442 VanDerWaalsContact C-N 3.25Å; S440-Q442 PolarHBondContact O-N 2.88Å; S440-Q442 PolarHBondContact OG-N 3.16Å; Q442-D444 VanDerWaalsContact C-N 3.3Å; Q442-D444 WeakPolarHBondContact CB-OD1 3.48Å; Q442-D444 PolarHBondContact O-N 3.08Å; Q442-Q445 HydrophobicContact CB-CB 4.25Å; Q442-Q445 HydrophobicContact CB-CG 3.74Å; Q442-Q445 HydrophobicContact CG-CG 4.41Å; Q442-Q445 PolarHBondContact O-N 3.02Å; Q442-N520 WeakPolarHBondContact O-CB 3.33Å; Q442-N520 PolarHBondContact O-ND2 2.96Å
443	T	82.7	Confident	88.9	Confident	99.5 Å²	99.5	35.3 Å²	35.3	61%	0.61	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-22	-175.4	52.9	0	0	0	0	114.3
444	D	84.1	Confident	88.8	Confident	93 Å²	93	30.7 Å²	30.7	50%	0.497	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.4	-178.6	5.9	-25.5	0	0	0	113	Q442	Q442-D444 VanDerWaalsContact C-N 3.3Å; Q442-D444 WeakPolarHBondContact CB-OD1 3.48Å; Q442-D444 PolarHBondContact O-N 3.08Å
445	Q	88.3	Confident	88.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.			trans	-85.3	146.8	176.9	-74.9	-178.6	-6.8	0	0	111.8	T274 Y275 N277 S440 Q442 R519 N520 V552 G553	T274-Q445 VanDerWaalsContact CB-NE2 3.29Å; T274-Q445 PolarHBondContact OG1-NE2 3.1Å; Y275-Q445 HydrophobicContact CD2-CG 4.03Å; Y275-Q445 HydrophobicContact CE2-CG 4.33Å; N277-Q445 PolarHBondContact ND2-NE2 3.48Å; N277-Q445 PolarHBondContact ND2-OE1 2.97Å; N277-Q445 PolarHBondContact OD1-NE2 2.81Å; S440-Q445 PolarHBondContact OG-OE1 3.22Å; Q442-Q445 HydrophobicContact CB-CB 4.25Å; Q442-Q445 HydrophobicContact CB-CG 3.74Å; Q442-Q445 HydrophobicContact CG-CG 4.41Å; Q442-Q445 PolarHBondContact O-N 3.02Å; Q445-R519 CarbonylContact O-C 3.28Å; Q445-N520 WeakPolarHBondContact O-CA 3.36Å; Q445-N520 VanDerWaalsContact O-CB 3.26Å; Q445-N520 WeakPolarHBondContact O-CB 3.27Å; Q445-N520 PolarHBondContact O-N 3.08Å; Q445-N520 VanDerWaalsContact O-N 3.11Å; Q445-V552 HydrophobicContact CB-CB 4.41Å; Q445-V552 HydrophobicContact CG-CB 4.49Å; Q445-G553 WeakPolarHBondContact CA-O 3.13Å
446	I	90.8	Very high	88.4	Confident	33.5 Å²	33.5	26 Å²	26	17%	0.172	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.7	172	-70.4	168.8	0	0	0	108.6	S517 V552 G553	I446-S517 WeakPolarHBondContact CG2-O 3.38Å; I446-V552 WeakPolarHBondContact O-CA 3.3Å; I446-G553 PolarHBondContact N-O 3.14Å; I446-G553 PolarHBondContact O-N 2.75Å; I446-G553 VanDerWaalsContact O-N 3.13Å
447	I	92.2	Very high	88.1	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.9	175.9	-60.8	171.1	0	0	0	108.5	V438 I449 S516 S517 N520 I522 I550 S551 V552	V438-I447 HydrophobicContact CB-CD1 4.47Å; V438-I447 HydrophobicContact CG1-CD1 4.09Å; I447-I449 HydrophobicContact CG2-CG1 4.29Å; I447-S516 CarbonylContact O-C 3.57Å; I447-S516 VanDerWaalsContact O-CA 3.23Å; I447-S516 WeakPolarHBondContact O-CA 3.33Å; I447-S517 PolarHBondContact N-OG 3.47Å; I447-S517 PolarHBondContact O-N 2.89Å; I447-S517 PolarHBondContact O-OG 3.07Å; I447-N520 VanDerWaalsContact CD1-O 3.28Å; I447-N520 WeakPolarHBondContact CD1-O 3.32Å; I447-I522 HydrophobicContact CB-CD1 4.44Å; I447-I522 HydrophobicContact CB-CG2 4.35Å; I447-I522 HydrophobicContact CD1-CD1 4.5Å; I447-I522 HydrophobicContact CD1-CG1 4.01Å; I447-I522 HydrophobicContact CG2-CD1 3.67Å; I447-I522 HydrophobicContact CG2-CG1 4.28Å; I447-I550 HydrophobicContact CG2-CG2 3.61Å; I447-S551 CarbonylContact C-O 3.58Å; I447-S551 WeakPolarHBondContact CA-O 3.29Å; I447-V552 HydrophobicContact CG1-CG1 4.07Å
448	T	93	Very high	87.4	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.4	174.2	-57.3	0	0	0	0	109.9	V515 S516 I550 S551 K556 L557	T448-V515 CarbonylContact C-O 3.57Å; T448-V515 WeakPolarHBondContact CA-O 3.37Å; T448-S516 WeakPolarHBondContact CG2-OG 3.49Å; T448-S516 PolarHBondContact OG1-OG 3.04Å; T448-I550 WeakPolarHBondContact O-CA 3.31Å; T448-S551 PolarHBondContact N-O 2.8Å; T448-S551 PolarHBondContact O-N 3.31Å; T448-S551 PolarHBondContact O-OG 3.49Å; T448-K556 HydrophobicContact CG2-CG 4.38Å; T448-L557 PolarHBondContact OG1-N 2.84Å
449	I	93.7	Very high	86.9	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.4	-178.8	-47.5	174.1	0	0	0	109.6	I447 I466 W478 G514 V515 I522 I524 L548 H549	I447-I449 HydrophobicContact CG2-CG1 4.29Å; I449-I466 HydrophobicContact CB-CD1 4.46Å; I449-I466 HydrophobicContact CD1-CB 4.45Å; I449-I466 HydrophobicContact CD1-CD1 3.89Å; I449-I466 HydrophobicContact CD1-CG1 4.09Å; I449-I466 HydrophobicContact CD1-CG2 3.62Å; I449-I466 HydrophobicContact CG2-CD1 4.33Å; I449-W478 HydrophobicContact CG2-CH2 4.29Å; I449-W478 HydrophobicContact CG2-CZ3 4.45Å; I449-G514 CarbonylContact O-C 3.48Å; I449-G514 VanDerWaalsContact O-CA 3.27Å; I449-G514 WeakPolarHBondContact O-CA 3.38Å; I449-V515 HydrophobicContact CB-CG2 4.35Å; I449-V515 PolarHBondContact N-O 2.73Å; I449-V515 PolarHBondContact O-N 3.17Å; I449-I522 HydrophobicContact CD1-CD1 3.17Å; I449-I522 HydrophobicContact CD1-CG1 4.5Å; I449-I522 HydrophobicContact CG1-CD1 3.73Å; I449-I524 HydrophobicContact CD1-CD1 4.19Å; I449-I524 HydrophobicContact CD1-CG1 4.24Å; I449-L548 HydrophobicContact CG2-CB 4.2Å; I449-L548 HydrophobicContact CG2-CD2 3.99Å; I449-L548 HydrophobicContact CG2-CG 4.49Å; I449-H549 WeakPolarHBondContact CA-O 3.34Å
450	N	92.6	Very high	86.5	Confident	7 Å²	7	20.7 Å²	20.7	4%	0.037	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.2	176.6	-63.3	-23.8	0	0	0	110.1	L452 G514 L548 H549 A582	N450-L452 HydrophobicContact CB-CD2 4.29Å; N450-L452 PolarHBondContact O-N 3Å; N450-G514 WeakPolarHBondContact OD1-CA 3.37Å; N450-L548 CarbonylContact O-C 3.4Å; N450-L548 WeakPolarHBondContact O-CA 3.46Å; N450-H549 HydrophobicContact CB-CB 4.32Å; N450-H549 PolarHBondContact N-O 3.29Å; N450-H549 PolarHBondContact O-N 3.02Å; N450-A582 WeakPolarHBondContact OD1-CB 3.33Å
451	L	91.1	Very high	86.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	112.8	169.3	-171.9	62.4	0	0	0	108.6	T454 W478 V511 Y512 A546 L547 L548 R662	L451-T454 HydrophobicContact CD1-CG2 3.78Å; L451-T454 HydrophobicContact CD2-CG2 3.59Å; L451-T454 HydrophobicContact CG-CG2 3.86Å; L451-W478 HydrophobicContact CB-CE3 4.16Å; L451-W478 HydrophobicContact CB-CH2 4.15Å; L451-W478 HydrophobicContact CB-CZ3 3.76Å; L451-W478 HydrophobicContact CD1-CE3 4.46Å; L451-W478 HydrophobicContact CD1-CZ3 4.43Å; L451-W478 HydrophobicContact CD2-CD2 4.37Å; L451-W478 HydrophobicContact CD2-CE3 3.93Å; L451-W478 HydrophobicContact CD2-CZ3 4.37Å; L451-W478 HydrophobicContact CG-CE3 4.41Å; L451-W478 HydrophobicContact CG-CZ3 4.39Å; L451-V511 HydrophobicContact CB-CG1 4.06Å; L451-V511 HydrophobicContact CD2-CG1 4.21Å; L451-V511 HydrophobicContact CG-CG1 3.98Å; L451-V511 WeakPolarHBondContact O-CG1 3.36Å; L451-Y512 HydrophobicContact CD2-CD2 3.89Å; L451-A546 HydrophobicContact CD1-CB 3.93Å; L451-L547 CarbonylContact C-O 3.57Å; L451-L548 HydrophobicContact CB-CD2 4.42Å; L451-L548 HydrophobicContact CD1-CD2 3.65Å; L451-R662 PolarHBondContact O-NH1 2.98Å; L451-R662 PolarHBondContact O-NH2 2.85Å; L451-R662 VanDerWaalsContact O-NH2 3.09Å
452	L	89.1	Confident	86.5	Confident	1.5 Å²	1.5	22.8 Å²	22.8	1%	0.008	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-36.5	-176.7	-63.2	-172	0	0	0	112.3	S383 G384 W389 L418 N450 L547 H549 W581	S383-L452 WeakPolarHBondContact CB-O 3.3Å; S383-L452 PolarHBondContact OG-O 3.29Å; G384-L452 PolarHBondContact N-O 3.2Å; W389-L452 HydrophobicContact CZ2-CD1 3.76Å; L418-L452 HydrophobicContact CD2-CD1 4.1Å; N450-L452 HydrophobicContact CB-CD2 4.29Å; N450-L452 PolarHBondContact O-N 3Å; L452-L547 HydrophobicContact CB-CD2 4.2Å; L452-L547 HydrophobicContact CB-CG 4.25Å; L452-L547 HydrophobicContact CD1-CD2 4.34Å; L452-L547 HydrophobicContact CD1-CG 4.46Å; L452-L547 PolarHBondContact N-O 3.22Å; L452-H549 HydrophobicContact CD1-CB 3.68Å; L452-H549 HydrophobicContact CD2-CB 4.2Å; L452-H549 HydrophobicContact CG-CB 3.8Å; L452-W581 HydrophobicContact CD2-CE3 3.57Å; L452-W581 HydrophobicContact CD2-CH2 4.27Å; L452-W581 HydrophobicContact CD2-CZ2 3.95Å; L452-W581 HydrophobicContact CD2-CZ3 3.3Å
453	E	88.2	Confident	86.9	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.019	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	146.6	-177.2	178.1	171.1	-139.3	0	0	110.8	H388 W389 I455 R545 A546 L547	H388-E453 WeakPolarHBondContact CA-OE1 3.24Å; H388-E453 IonicContact CE1-OE1 3.03Å; H388-E453 IonicContact CG-OE1 3.27Å; H388-E453 VanDerWaalsContact ND1-CD 3.32Å; H388-E453 IonicContact ND1-OE1 2.68Å; H388-E453 PolarHBondContact ND1-OE1 2.9Å; H388-E453 IonicContact ND1-OE2 3.86Å; H388-E453 PolarHBondContact ND1-OE2 2.99Å; W389-E453 PolarHBondContact N-OE2 2.89Å; W389-E453 VanDerWaalsContact N-OE2 3.09Å; E453-I455 HydrophobicContact CG-CD1 4.33Å; E453-I455 HydrophobicContact CG-CG1 3.97Å; E453-I455 WeakPolarHBondContact OE1-CD1 3.34Å; E453-R545 IonicContact OE2-CZ 3.55Å; E453-R545 IonicContact OE2-NH2 2.87Å; E453-R545 PolarHBondContact OE2-NH2 3.45Å; E453-A546 WeakPolarHBondContact O-CA 3.08Å; E453-L547 HydrophobicContact CB-CB 4.22Å; E453-L547 PolarHBondContact O-N 2.93Å
454	T	87.9	Confident	87.4	Confident	5 Å²	5	19.8 Å²	19.8	3%	0.031	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130.7	168.6	53	0	0	0	0	109.7	L451 L480 K508 G509 L510 R545 A546	L451-T454 HydrophobicContact CD1-CG2 3.78Å; L451-T454 HydrophobicContact CD2-CG2 3.59Å; L451-T454 HydrophobicContact CG-CG2 3.86Å; T454-L480 HydrophobicContact CG2-CD2 3.54Å; T454-K508 WeakPolarHBondContact O-CA 3.43Å; T454-G509 PolarHBondContact O-N 3.13Å; T454-G509 VanDerWaalsContact OG1-CA 3.31Å; T454-G509 WeakPolarHBondContact OG1-CA 3.45Å; T454-G509 PolarHBondContact OG1-N 2.04Å; T454-G509 PolarHBondContact OG1-O 2.85Å; T454-L510 WeakPolarHBondContact CG2-O 3.37Å; T454-L510 PolarHBondContact OG1-N 2.77Å; T454-L510 PolarHBondContact OG1-O 2.86Å; T454-L510 VanDerWaalsContact OG1-O 3.07Å; T454-R545 CarbonylContact C-O 3.52Å; T454-R545 WeakPolarHBondContact CA-O 3.4Å; T454-A546 HydrophobicContact CG2-CB 4.16Å
455	I	86	Confident	87.9	Confident	10.5 Å²	10.5	15.9 Å²	15.9	5%	0.054	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.1	175.5	-54.2	176.1	0	0	0	106.8	H388 E453 P506 L507 F540 I544 R545	H388-I455 WeakPolarHBondContact CE1-CD1 3.31Å; H388-I455 WeakPolarHBondContact ND1-CD1 3.37Å; E453-I455 HydrophobicContact CG-CD1 4.33Å; E453-I455 HydrophobicContact CG-CG1 3.97Å; E453-I455 WeakPolarHBondContact OE1-CD1 3.34Å; I455-P506 HydrophobicContact CG2-CB 3.5Å; I455-P506 VanDerWaalsContact CG2-CB 3.5Å; I455-L507 WeakPolarHBondContact CA-O 3.36Å; I455-F540 HydrophobicContact CB-CE1 4.3Å; I455-F540 HydrophobicContact CB-CZ 4.36Å; I455-F540 HydrophobicContact CG2-CD1 4.13Å; I455-F540 HydrophobicContact CG2-CD2 4.4Å; I455-F540 HydrophobicContact CG2-CE1 3.98Å; I455-F540 HydrophobicContact CG2-CE2 4.26Å; I455-F540 HydrophobicContact CG2-CG 4.36Å; I455-F540 HydrophobicContact CG2-CZ 4.05Å; I455-I544 CarbonylContact O-C 3.59Å; I455-I544 WeakPolarHBondContact O-CA 3.06Å; I455-R545 HydrophobicContact CB-CB 4.5Å; I455-R545 VanDerWaalsContact CD1-NH2 3.33Å; I455-R545 PolarHBondContact N-O 2.86Å; I455-R545 PolarHBondContact O-N 2.88Å
456	H	82.9	Confident	88.2	Confident	3 Å²	3	15.9 Å²	15.9	1%	0.014	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.4	175.2	68.8	18.3	0	0	0	110.7	A460 N482 L507 C543 I544	H456-A460 PolarHBondContact ND1-O 3.11Å; H456-N482 WeakPolarHBondContact NE2-CA 3.31Å; H456-N482 WeakPolarHBondContact NE2-CB 3.43Å; H456-N482 PolarHBondContact NE2-N 3.2Å; H456-N482 VanDerWaalsContact NE2-N 3.19Å; H456-L507 PolarHBondContact N-O 3.15Å; H456-L507 PolarHBondContact ND1-O 2.85Å; H456-L507 VanDerWaalsContact ND1-O 3.09Å; H456-L507 PolarHBondContact O-N 3.02Å; H456-C543 CarbonylContact C-O 3.54Å; H456-C543 VanDerWaalsContact CA-O 3.26Å; H456-C543 WeakPolarHBondContact CA-O 3.25Å; H456-I544 HydrophobicContact CB-CB 4.5Å; H456-I544 HydrophobicContact CB-CG1 4.16Å; H456-I544 HydrophobicContact CB-CG2 4.43Å
457	D	81.9	Confident	88.3	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.005	8%	0.075	C	C	.	.			trans	-75.5	144.2	170.8	-165.6	-77.8	0	0	0	109.3	I459 A460 C537 S538 E539 F540 C543	D457-I459 PolarHBondContact O-N 3.19Å; D457-I459 VanDerWaalsContact O-N 3.08Å; D457-I459 VanDerWaalsContact OD1-CG1 3.23Å; D457-I459 WeakPolarHBondContact OD1-CG1 3.41Å; D457-I459 PolarHBondContact OD1-N 3.24Å; D457-I459 VanDerWaalsContact OD1-N 3.1Å; D457-A460 HydrophobicContact CB-CB 4.34Å; D457-A460 PolarHBondContact O-N 3.34Å; D457-A460 VanDerWaalsContact O-O 3.11Å; D457-C537 HydrophobicContact CB-CB 3.82Å; D457-C537 VanDerWaalsContact OD2-CB 3.26Å; D457-C537 WeakPolarHBondContact OD2-CB 3.18Å; D457-S538 PolarHBondContact OD1-N 2.83Å; D457-S538 PolarHBondContact OD1-OG 2.94Å; D457-S538 PolarHBondContact OD2-N 3.04Å; D457-S538 VanDerWaalsContact OD2-N 3.13Å; D457-S538 PolarHBondContact OD2-OG 2.93Å; D457-E539 PolarHBondContact OD2-N 3.2Å; D457-F540 HydrophobicContact CB-CB 4.21Å; D457-F540 PolarHBondContact OD2-N 3.33Å; D457-C543 WeakPolarHBondContact CB-O 3.35Å; D457-C543 PolarHBondContact N-O 2.8Å
458	P	75.3	Confident	88.3	Confident	10.5 Å²	10.5	17.5 Å²	17.5	7%	0.068	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-29.9	176	-22.4	25.7	0	0	0	114.9	F500 S504 L507	P458-F500 HydrophobicContact CB-CD1 3.48Å; P458-F500 HydrophobicContact CB-CE1 3.67Å; P458-F500 HydrophobicContact CB-CG 4.35Å; P458-F500 WeakPolarHBondContact O-CE1 3.31Å; P458-F500 VanDerWaalsContact O-CZ 3.32Å; P458-F500 WeakPolarHBondContact O-CZ 3.44Å; P458-S504 WeakPolarHBondContact CG-OG 3.16Å; P458-L507 HydrophobicContact CB-CD1 4.02Å; P458-L507 HydrophobicContact CG-CD1 3.68Å; P458-L507 HydrophobicContact CG-CG 4.15Å
459	I	77.8	Confident	88.1	Confident	25 Å²	25	22.4 Å²	22.4	13%	0.128	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-1	-178.1	71	171.7	0	0	0	114.5	D457 L531 T532 F535 C537	D457-I459 PolarHBondContact O-N 3.19Å; D457-I459 VanDerWaalsContact O-N 3.08Å; D457-I459 VanDerWaalsContact OD1-CG1 3.23Å; D457-I459 WeakPolarHBondContact OD1-CG1 3.41Å; D457-I459 PolarHBondContact OD1-N 3.24Å; D457-I459 VanDerWaalsContact OD1-N 3.1Å; I459-L531 HydrophobicContact CB-CB 4.42Å; I459-L531 HydrophobicContact CB-CD1 4Å; I459-L531 HydrophobicContact CB-CG 4.48Å; I459-L531 HydrophobicContact CG2-CD1 3.9Å; I459-L531 PolarHBondContact O-N 3.23Å; I459-T532 HydrophobicContact CD1-CG2 3.94Å; I459-F535 HydrophobicContact CD1-CB 3.7Å; I459-F535 HydrophobicContact CD1-CG 4.29Å; I459-C537 HydrophobicContact CD1-CB 3.89Å; I459-C537 HydrophobicContact CG1-CB 4.15Å
460	A	80.7	Confident	87.8	Confident	3 Å²	3	27.6 Å²	27.6	3%	0.025	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.8	-176.3	0	0	0	0	0	111.3	H456 D457 N529 K530 C543 I544	H456-A460 PolarHBondContact ND1-O 3.11Å; D457-A460 HydrophobicContact CB-CB 4.34Å; D457-A460 PolarHBondContact O-N 3.34Å; D457-A460 VanDerWaalsContact O-O 3.11Å; A460-N529 WeakPolarHBondContact CA-O 3.44Å; A460-K530 HydrophobicContact CB-CB 4.4Å; A460-C543 HydrophobicContact CB-CB 3.98Å; A460-I544 HydrophobicContact CB-CD1 4.05Å; A460-I544 HydrophobicContact CB-CG1 3.78Å
461	Y	85.6	Confident	87.6	Confident	112.5 Å²	112.5	29.9 Å²	29.9	44%	0.441	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.1	173.1	64.8	-88	0	0	0	110.8	L480 V481 W528 N529 I544	Y461-L480 WeakPolarHBondContact CA-O 3.21Å; Y461-V481 HydrophobicContact CG-CG1 4.39Å; Y461-W528 CarbonylContact O-C 3.51Å; Y461-N529 HydrophobicContact CD1-CB 4.27Å; Y461-N529 HydrophobicContact CD2-CB 4.19Å; Y461-N529 HydrophobicContact CE1-CB 3.81Å; Y461-N529 HydrophobicContact CE2-CB 3.73Å; Y461-N529 HydrophobicContact CG-CB 4.38Å; Y461-N529 PolarHBondContact N-O 3.4Å; Y461-N529 PolarHBondContact O-N 2.94Å; Y461-N529 VanDerWaalsContact O-O 3.06Å; Y461-N529 PolarHBondContact OH-ND2 2.94Å; Y461-I544 VanDerWaalsContact O-CD1 3.3Å; Y461-I544 WeakPolarHBondContact O-CD1 3.39Å
462	G	88.2	Confident	87.5	Confident	6 Å²	6	35.7 Å²	35.7	6%	0.062	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-178.4	-178.5	0	0	0	0	0	112.6	L480 F527	G462-L480 PolarHBondContact N-O 3.02Å; G462-L480 WeakPolarHBondContact O-CA 3.44Å; G462-L480 WeakPolarHBondContact O-CB 3.33Å; G462-L480 PolarHBondContact O-N 3.36Å; G462-F527 CarbonylContact C-O 3.56Å; G462-F527 WeakPolarHBondContact CA-O 3.24Å
463	R	92	Very high	87.6	Confident	98 Å²	98	40.6 Å²	40.6	37%	0.37	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.9	167.6	66.1	178.1	-165	-135.1	4.6	111.6	E465 W478 L479 F527	R463-E465 IonicContact CZ-OE1 2.98Å; R463-E465 VanDerWaalsContact CZ-OE1 3.27Å; R463-E465 IonicContact NE-OE1 3.44Å; R463-E465 PolarHBondContact NE-OE1 2.87Å; R463-E465 IonicContact NH2-OE1 3.65Å; R463-E465 PolarHBondContact NH2-OE1 3.3Å; R463-W478 CarbonylContact C-O 3.52Å; R463-W478 WeakPolarHBondContact CA-O 3.36Å; R463-W478 VanDerWaalsContact CB-O 3.27Å; R463-W478 WeakPolarHBondContact CB-O 3.39Å; R463-L479 HydrophobicContact CB-CD2 4.1Å; R463-F527 HydrophobicContact CG-CB 3.8Å; R463-F527 HydrophobicContact CG-CD2 3.88Å; R463-F527 HydrophobicContact CG-CG 4.09Å; R463-F527 PolarHBondContact N-O 2.96Å; R463-F527 PolarHBondContact O-N 2.91Å
464	I	94	Very high	87.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.5	172	-64.4	171.4	0	0	0	107.8	A421 I466 N477 W478 L480 I524 K525 F526 A546 L548	A421-I464 HydrophobicContact CB-CD1 4.05Å; I464-I466 HydrophobicContact CG2-CD1 4.48Å; I464-I466 HydrophobicContact CG2-CG1 4.13Å; I464-N477 CarbonylContact O-C 3.57Å; I464-N477 WeakPolarHBondContact O-CA 3.4Å; I464-W478 HydrophobicContact CB-CB 4.44Å; I464-W478 HydrophobicContact CB-CE3 4.37Å; I464-W478 HydrophobicContact CG2-CE3 4.27Å; I464-W478 PolarHBondContact N-O 3.13Å; I464-W478 PolarHBondContact O-N 2.95Å; I464-L480 HydrophobicContact CD1-CD1 3.99Å; I464-L480 HydrophobicContact CD1-CD2 4.31Å; I464-L480 HydrophobicContact CG1-CD1 3.88Å; I464-L480 HydrophobicContact CG1-CG 4.46Å; I464-I524 HydrophobicContact CG2-CG2 4.01Å; I464-K525 CarbonylContact C-O 3.53Å; I464-K525 WeakPolarHBondContact CA-O 3.33Å; I464-F526 HydrophobicContact CD1-CD2 4.48Å; I464-F526 HydrophobicContact CG1-CD2 3.87Å; I464-A546 HydrophobicContact CD1-CB 3.55Å; I464-L548 HydrophobicContact CD1-CD2 4.35Å
465	E	94.6	Very high	87.9	Confident	10.5 Å²	10.5	48.8 Å²	48.8	5%	0.049	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.8	169.9	-58.1	177.1	-172.7	0	0	109.3	R463 W467 A476 K525 F527	R463-E465 IonicContact CZ-OE1 2.98Å; R463-E465 VanDerWaalsContact CZ-OE1 3.27Å; R463-E465 IonicContact NE-OE1 3.44Å; R463-E465 PolarHBondContact NE-OE1 2.87Å; R463-E465 IonicContact NH2-OE1 3.65Å; R463-E465 PolarHBondContact NH2-OE1 3.3Å; E465-W467 VanDerWaalsContact CB-NE1 3.31Å; E465-W467 WeakPolarHBondContact OE2-CZ2 3.46Å; E465-W467 PolarHBondContact OE2-NE1 2.96Å; E465-W467 VanDerWaalsContact OE2-NE1 3.1Å; E465-A476 WeakPolarHBondContact CA-O 3.12Å; E465-K525 HydrophobicContact CB-CB 4.28Å; E465-K525 PolarHBondContact N-O 3.17Å; E465-K525 PolarHBondContact O-N 3.44Å; E465-F527 HydrophobicContact CB-CE2 4.31Å; E465-F527 VanDerWaalsContact CD-CE2 3.5Å; E465-F527 HydrophobicContact CG-CD2 4.29Å; E465-F527 HydrophobicContact CG-CE2 3.8Å; E465-F527 WeakPolarHBondContact OE1-CE2 3.48Å
466	I	94	Very high	88.1	Confident	0.5 Å²	0.5	48.5 Å²	48.5	0%	0.003	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126	176.5	-62	161.9	0	0	0	107.1	I449 I464 R474 I475 A476 W478 V515	I449-I466 HydrophobicContact CB-CD1 4.46Å; I449-I466 HydrophobicContact CD1-CB 4.45Å; I449-I466 HydrophobicContact CD1-CD1 3.89Å; I449-I466 HydrophobicContact CD1-CG1 4.09Å; I449-I466 HydrophobicContact CD1-CG2 3.62Å; I449-I466 HydrophobicContact CG2-CD1 4.33Å; I464-I466 HydrophobicContact CG2-CD1 4.48Å; I464-I466 HydrophobicContact CG2-CG1 4.13Å; I466-R474 CarbonylContact O-C 3.52Å; I466-R474 WeakPolarHBondContact O-CA 3.42Å; I466-I475 HydrophobicContact CG2-CB 4.23Å; I466-I475 HydrophobicContact CG2-CD1 4.22Å; I466-I475 WeakPolarHBondContact O-CA 3.28Å; I466-I475 PolarHBondContact O-N 3.39Å; I466-A476 HydrophobicContact CB-CB 4.11Å; I466-A476 HydrophobicContact CD1-CB 4.03Å; I466-A476 HydrophobicContact CG1-CB 4.36Å; I466-A476 PolarHBondContact N-O 3.17Å; I466-A476 PolarHBondContact O-N 3.09Å; I466-A476 VanDerWaalsContact O-N 3.13Å; I466-W478 HydrophobicContact CD1-CD2 4.29Å; I466-W478 HydrophobicContact CD1-CE3 3.92Å; I466-W478 HydrophobicContact CD1-CH2 3.36Å; I466-W478 HydrophobicContact CD1-CZ2 3.76Å; I466-W478 HydrophobicContact CD1-CZ3 3.44Å; I466-W478 VanDerWaalsContact CD1-CZ3 3.48Å; I466-V515 HydrophobicContact CD1-CG2 3.61Å; I466-V515 HydrophobicContact CG2-CG2 4.27Å
467	W	94.2	Very high	88.5	Confident	67.5 Å²	67.5	51.1 Å²	51.1	26%	0.256	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.7	-176.8	-66.3	77.5	0	0	0	109.6	E465 M472 N473 R474 I522 L523	E465-W467 VanDerWaalsContact CB-NE1 3.31Å; E465-W467 WeakPolarHBondContact OE2-CZ2 3.46Å; E465-W467 PolarHBondContact OE2-NE1 2.96Å; E465-W467 VanDerWaalsContact OE2-NE1 3.1Å; W467-M472 VanDerWaalsContact CE3-O 3.23Å; W467-M472 VanDerWaalsContact CZ3-O 3.28Å; W467-M472 WeakPolarHBondContact CZ3-O 3.24Å; W467-N473 WeakPolarHBondContact CA-O 3.36Å; W467-R474 HydrophobicContact CD2-CB 3.86Å; W467-R474 HydrophobicContact CD2-CG 4.22Å; W467-R474 HydrophobicContact CE3-CB 3.92Å; W467-R474 HydrophobicContact CH2-CB 3.96Å; W467-R474 HydrophobicContact CZ2-CB 3.89Å; W467-R474 HydrophobicContact CZ2-CG 4.12Å; W467-R474 HydrophobicContact CZ3-CB 3.97Å; W467-I522 CarbonylContact O-C 3.52Å; W467-I522 WeakPolarHBondContact O-CA 3.27Å; W467-L523 HydrophobicContact CB-CB 4.12Å; W467-L523 PolarHBondContact N-O 3.17Å; W467-L523 PolarHBondContact O-N 2.99Å
468	D	91.9	Very high	89	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129	167	-168.6	-78.5	0	0	0	108.6	F470 T471 M472 N473 I475 S517 D518	D468-F470 VanDerWaalsContact C-N 3.35Å; D468-F470 WeakPolarHBondContact OD1-CA 3.36Å; D468-F470 VanDerWaalsContact OD1-CB 3.28Å; D468-F470 WeakPolarHBondContact OD1-CB 3.38Å; D468-F470 PolarHBondContact OD1-N 3.11Å; D468-T471 VanDerWaalsContact CB-OG1 3.31Å; D468-T471 WeakPolarHBondContact CB-OG1 3.37Å; D468-T471 PolarHBondContact OD1-N 3.33Å; D468-T471 PolarHBondContact OD1-OG1 3.14Å; D468-M472 WeakPolarHBondContact O-CA 3.42Å; D468-M472 PolarHBondContact O-N 2.92Å; D468-N473 PolarHBondContact N-O 3.39Å; D468-I475 HydrophobicContact CB-CD1 3.76Å; D468-I475 HydrophobicContact CB-CG1 4.01Å; D468-S517 WeakPolarHBondContact OD2-CA 3.31Å; D468-S517 VanDerWaalsContact OD2-CB 3.31Å; D468-S517 WeakPolarHBondContact OD2-CB 3.28Å; D468-D518 PolarHBondContact OD2-N 3.18Å
469	K	89.1	Confident	89.6	Confident	103 Å²	103	54.2 Å²	54.2	45%	0.448	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-25	-176.2	-168.4	177.1	-179.6	177.5	0	112.7	A521	K469-A521 HydrophobicContact CB-CB 3.85Å; K469-A521 WeakPolarHBondContact CB-O 3.39Å; K469-A521 HydrophobicContact CD-CB 3.95Å; K469-A521 HydrophobicContact CG-CB 4.46Å; K469-A521 PolarHBondContact N-O 3.13Å; K469-A521 VanDerWaalsContact N-O 3.16Å
470	F	87.5	Confident	89.9	Confident	112 Å²	112	53.1 Å²	53.1	49%	0.491	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-48.4	-178	-123.1	-93.3	0	0	0	111.2	D468 M472 R519 N520 A521	D468-F470 VanDerWaalsContact C-N 3.35Å; D468-F470 WeakPolarHBondContact OD1-CA 3.36Å; D468-F470 VanDerWaalsContact OD1-CB 3.28Å; D468-F470 WeakPolarHBondContact OD1-CB 3.38Å; D468-F470 PolarHBondContact OD1-N 3.11Å; F470-M472 VanDerWaalsContact C-N 3.35Å; F470-R519 HydrophobicContact CB-CB 4.23Å; F470-R519 HydrophobicContact CB-CG 4.38Å; F470-R519 HydrophobicContact CD1-CG 4.15Å; F470-R519 HydrophobicContact CD2-CB 3.62Å; F470-R519 HydrophobicContact CD2-CG 4.32Å; F470-R519 HydrophobicContact CE2-CB 3.59Å; F470-R519 HydrophobicContact CG-CG 4.17Å; F470-R519 HydrophobicContact CZ-CB 4.48Å; F470-N520 VanDerWaalsContact CE2-OD1 3.23Å; F470-N520 WeakPolarHBondContact CE2-OD1 3.25Å; F470-N520 WeakPolarHBondContact CZ-OD1 3.48Å; F470-A521 HydrophobicContact CD2-CB 4.35Å; F470-A521 HydrophobicContact CE2-CB 3.64Å; F470-A521 HydrophobicContact CZ-CB 4.21Å
471	T	87.9	Confident	89.7	Confident	54.5 Å²	54.5	53.9 Å²	53.9	33%	0.334	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-13	178.9	62.5	0	0	0	0	112.8	D468 N473 D518	D468-T471 VanDerWaalsContact CB-OG1 3.31Å; D468-T471 WeakPolarHBondContact CB-OG1 3.37Å; D468-T471 PolarHBondContact OD1-N 3.33Å; D468-T471 PolarHBondContact OD1-OG1 3.14Å; T471-N473 PolarHBondContact O-N 3.15Å; T471-N473 VanDerWaalsContact O-N 3.11Å; T471-N473 WeakPolarHBondContact OG1-CB 3.35Å; T471-N473 PolarHBondContact OG1-N 2.74Å; T471-D518 VanDerWaalsContact CG2-OD2 3.22Å; T471-D518 WeakPolarHBondContact CG2-OD2 3.35Å
472	M	88.4	Confident	88.7	Confident	122.5 Å²	122.5	50 Å²	50	60%	0.603	24%	0.236	S	C	*	.			trans	53.6	24.8	-172.6	-66.5	-69.2	-88	0	0	112.8	W467 D468 F470	W467-M472 VanDerWaalsContact CE3-O 3.23Å; W467-M472 VanDerWaalsContact CZ3-O 3.28Å; W467-M472 WeakPolarHBondContact CZ3-O 3.24Å; D468-M472 WeakPolarHBondContact O-CA 3.42Å; D468-M472 PolarHBondContact O-N 2.92Å; F470-M472 VanDerWaalsContact C-N 3.35Å
473	N	91.3	Very high	87.1	Confident	103.5 Å²	103.5	52.1 Å²	52.1	55%	0.553	25%	0.245	S	C	*	.			trans	-93	141.2	176.4	-71.6	-29.1	0	0	0	110.6	W467 D468 T471 I475	W467-N473 WeakPolarHBondContact CA-O 3.36Å; D468-N473 PolarHBondContact N-O 3.39Å; T471-N473 PolarHBondContact O-N 3.15Å; T471-N473 VanDerWaalsContact O-N 3.11Å; T471-N473 WeakPolarHBondContact OG1-CB 3.35Å; T471-N473 PolarHBondContact OG1-N 2.74Å; N473-I475 PolarHBondContact O-N 2.77Å
474	R	91.6	Very high	85.2	Confident	130 Å²	130	51.6 Å²	51.6	49%	0.491	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	110.6	173.4	-170.2	-179.8	66.9	-170.8	-2	109.9	I466 W467 A476	I466-R474 CarbonylContact O-C 3.52Å; I466-R474 WeakPolarHBondContact O-CA 3.42Å; W467-R474 HydrophobicContact CD2-CB 3.86Å; W467-R474 HydrophobicContact CD2-CG 4.22Å; W467-R474 HydrophobicContact CE3-CB 3.92Å; W467-R474 HydrophobicContact CH2-CB 3.96Å; W467-R474 HydrophobicContact CZ2-CB 3.89Å; W467-R474 HydrophobicContact CZ2-CG 4.12Å; W467-R474 HydrophobicContact CZ3-CB 3.97Å; R474-A476 WeakPolarHBondContact CG-O 3.25Å
475	I	90.1	Very high	83	Confident	50.5 Å²	50.5	53.6 Å²	53.6	26%	0.259	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-39.2	178.3	-54.2	163.6	0	0	0	110.9	I466 D468 N473 V515 I522	I466-I475 HydrophobicContact CG2-CB 4.23Å; I466-I475 HydrophobicContact CG2-CD1 4.22Å; I466-I475 WeakPolarHBondContact O-CA 3.28Å; I466-I475 PolarHBondContact O-N 3.39Å; D468-I475 HydrophobicContact CB-CD1 3.76Å; D468-I475 HydrophobicContact CB-CG1 4.01Å; N473-I475 PolarHBondContact O-N 2.77Å; I475-V515 HydrophobicContact CG2-CB 3.81Å; I475-V515 HydrophobicContact CG2-CG1 4.12Å; I475-V515 HydrophobicContact CG2-CG2 4.27Å; I475-I522 HydrophobicContact CD1-CG2 4.36Å
476	A	90.9	Very high	80.7	Confident	5 Å²	5	56.3 Å²	56.3	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.9	-178.3	0	0	0	0	0	112.9	E465 I466 R474 W478 V515	E465-A476 WeakPolarHBondContact CA-O 3.12Å; I466-A476 HydrophobicContact CB-CB 4.11Å; I466-A476 HydrophobicContact CD1-CB 4.03Å; I466-A476 HydrophobicContact CG1-CB 4.36Å; I466-A476 PolarHBondContact N-O 3.17Å; I466-A476 PolarHBondContact O-N 3.09Å; I466-A476 VanDerWaalsContact O-N 3.13Å; R474-A476 WeakPolarHBondContact CG-O 3.25Å; A476-W478 HydrophobicContact CB-CD2 4.4Å; A476-W478 HydrophobicContact CB-CZ2 4.2Å; A476-V515 HydrophobicContact CB-CG1 3.92Å; A476-V515 HydrophobicContact CB-CG2 4.21Å
477	N	91.8	Very high	78.3	Confident	58.5 Å²	58.5	61.8 Å²	61.8	31%	0.313	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	98.9	171.1	179.4	30.4	0	0	0	109.1	I464	I464-N477 CarbonylContact O-C 3.57Å; I464-N477 WeakPolarHBondContact O-CA 3.4Å
478	W	91.7	Very high	75.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.9	-174	-62.8	-22.8	0	0	0	110.4	I449 L451 R463 I464 I466 A476 Y512 Q513 V515 L548 N665	I449-W478 HydrophobicContact CG2-CH2 4.29Å; I449-W478 HydrophobicContact CG2-CZ3 4.45Å; L451-W478 HydrophobicContact CB-CE3 4.16Å; L451-W478 HydrophobicContact CB-CH2 4.15Å; L451-W478 HydrophobicContact CB-CZ3 3.76Å; L451-W478 HydrophobicContact CD1-CE3 4.46Å; L451-W478 HydrophobicContact CD1-CZ3 4.43Å; L451-W478 HydrophobicContact CD2-CD2 4.37Å; L451-W478 HydrophobicContact CD2-CE3 3.93Å; L451-W478 HydrophobicContact CD2-CZ3 4.37Å; L451-W478 HydrophobicContact CG-CE3 4.41Å; L451-W478 HydrophobicContact CG-CZ3 4.39Å; R463-W478 CarbonylContact C-O 3.52Å; R463-W478 WeakPolarHBondContact CA-O 3.36Å; R463-W478 VanDerWaalsContact CB-O 3.27Å; R463-W478 WeakPolarHBondContact CB-O 3.39Å; I464-W478 HydrophobicContact CB-CB 4.44Å; I464-W478 HydrophobicContact CB-CE3 4.37Å; I464-W478 HydrophobicContact CG2-CE3 4.27Å; I464-W478 PolarHBondContact N-O 3.13Å; I464-W478 PolarHBondContact O-N 2.95Å; I466-W478 HydrophobicContact CD1-CD2 4.29Å; I466-W478 HydrophobicContact CD1-CE3 3.92Å; I466-W478 HydrophobicContact CD1-CH2 3.36Å; I466-W478 HydrophobicContact CD1-CZ2 3.76Å; I466-W478 HydrophobicContact CD1-CZ3 3.44Å; I466-W478 VanDerWaalsContact CD1-CZ3 3.48Å; A476-W478 HydrophobicContact CB-CD2 4.4Å; A476-W478 HydrophobicContact CB-CZ2 4.2Å; W478-Y512 HydrophobicContact CB-CD1 4.49Å; W478-Y512 HydrophobicContact CB-CD2 3.53Å; W478-Y512 HydrophobicContact CB-CE2 3.72Å; W478-Y512 HydrophobicContact CB-CG 3.98Å; W478-Y512 AromaticContact CD1-CD1 3.54Å; W478-Y512 AromaticContact CD1-CD2 3.78Å; W478-Y512 AromaticContact CD1-CG 3.26Å; W478-Y512 HydrophobicContact CD2-CD2 4.32Å; W478-Y512 HydrophobicContact CD2-CG 4.26Å; W478-Y512 HydrophobicContact CG-CD1 4.2Å; W478-Y512 AromaticContact CG-CD2 3.6Å; W478-Y512 HydrophobicContact CG-CD2 3.6Å; W478-Y512 HydrophobicContact CG-CE2 4.25Å; W478-Y512 AromaticContact CG-CG 3.58Å; W478-Y512 HydrophobicContact CG-CG 3.58Å; W478-Y512 VanDerWaalsContact NE1-CB 3.26Å; W478-Y512 AromaticContact NE1-CG 3.76Å; W478-Q513 VanDerWaalsContact CZ2-O 3.3Å; W478-Q513 WeakPolarHBondContact CZ2-O 3.28Å; W478-V515 HydrophobicContact CH2-CG2 4.18Å; W478-V515 HydrophobicContact CZ2-CG1 4.18Å; W478-V515 HydrophobicContact CZ2-CG2 3.92Å; W478-L548 HydrophobicContact CE3-CD2 4.39Å; W478-L548 HydrophobicContact CZ3-CD2 3.66Å; W478-N665 PolarHBondContact NE1-OD1 2.86Å
479	L	88.5	Confident	73.2	Confident	75 Å²	75	69.9 Å²	69.9	39%	0.393	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125	175.7	-60.9	169	0	0	0	109.9	R463 V481 Y512	R463-L479 HydrophobicContact CB-CD2 4.1Å; L479-V481 HydrophobicContact CB-CG2 4.06Å; L479-V481 PolarHBondContact O-N 2.87Å; L479-Y512 WeakPolarHBondContact CA-OH 3.3Å; L479-Y512 WeakPolarHBondContact CB-OH 3.43Å; L479-Y512 PolarHBondContact N-OH 3.12Å; L479-Y512 VanDerWaalsContact N-OH 3.11Å; L479-Y512 VanDerWaalsContact O-CE2 3.22Å; L479-Y512 WeakPolarHBondContact O-CE2 3.31Å; L479-Y512 PolarHBondContact O-OH 2.9Å; L479-Y512 VanDerWaalsContact O-OH 3.09Å
480	L	84.5	Confident	70.8	Confident	2.5 Å²	2.5	71.5 Å²	71.5	1%	0.013	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	77.5	177.7	-55.9	175.9	0	0	0	108.8	T454 Y461 G462 I464 F526 I544 A546	T454-L480 HydrophobicContact CG2-CD2 3.54Å; Y461-L480 WeakPolarHBondContact CA-O 3.21Å; G462-L480 PolarHBondContact N-O 3.02Å; G462-L480 WeakPolarHBondContact O-CA 3.44Å; G462-L480 WeakPolarHBondContact O-CB 3.33Å; G462-L480 PolarHBondContact O-N 3.36Å; I464-L480 HydrophobicContact CD1-CD1 3.99Å; I464-L480 HydrophobicContact CD1-CD2 4.31Å; I464-L480 HydrophobicContact CG1-CD1 3.88Å; I464-L480 HydrophobicContact CG1-CG 4.46Å; L480-F526 HydrophobicContact CD1-CD2 4.09Å; L480-F526 HydrophobicContact CD1-CE2 3.59Å; L480-I544 HydrophobicContact CB-CG2 4.26Å; L480-I544 HydrophobicContact CD1-CG2 3.77Å; L480-A546 HydrophobicContact CD1-CB 4.1Å; L480-A546 HydrophobicContact CD2-CB 4.08Å
481	V	74.9	Confident	68.4	Low	20.5 Å²	20.5	71.8 Å²	71.8	12%	0.124	37%	0.371	C	S	.	.	S	Bend	trans	-139.4	166.5	-178.1	-69.2	0	0	0	0	111.2	Y461 L479 L486 L510	Y461-V481 HydrophobicContact CG-CG1 4.39Å; L479-V481 HydrophobicContact CB-CG2 4.06Å; L479-V481 PolarHBondContact O-N 2.87Å; V481-L486 HydrophobicContact CG2-CD1 3.73Å; V481-L486 HydrophobicContact CG2-CG 4.45Å; V481-L510 HydrophobicContact CG2-CD1 4.49Å; V481-L510 WeakPolarHBondContact O-CG 3.42Å; V481-L510 PolarHBondContact O-N 2.94Å
482	N	64.7	Low	65.8	Low	30 Å²	30	77.8 Å²	77.8	16%	0.16	40%	0.395	C	S	.	.			trans	-83.9	142.2	170.7	-167.5	-9	0	0	0	110.6	H456 T484 I485 L486 L507	H456-N482 WeakPolarHBondContact NE2-CA 3.31Å; H456-N482 WeakPolarHBondContact NE2-CB 3.43Å; H456-N482 PolarHBondContact NE2-N 3.2Å; H456-N482 VanDerWaalsContact NE2-N 3.19Å; N482-T484 VanDerWaalsContact C-N 3.26Å; N482-T484 VanDerWaalsContact CG-OG1 3.27Å; N482-T484 PolarHBondContact ND2-OG1 3.12Å; N482-T484 PolarHBondContact O-N 3.14Å; N482-T484 PolarHBondContact OD1-N 3.14Å; N482-I485 HydrophobicContact CB-CB 4.49Å; N482-I485 HydrophobicContact CB-CD1 3.9Å; N482-I485 HydrophobicContact CB-CG1 4.02Å; N482-I485 PolarHBondContact O-N 3.19Å; N482-L486 PolarHBondContact O-N 3.28Å; N482-L507 HydrophobicContact CB-CD1 4.48Å; N482-L507 WeakPolarHBondContact ND2-CD1 3.18Å
483	Q	55	Low	63.3	Low	50.5 Å²	50.5	77.3 Å²	77.3	24%	0.236	40%	0.398	C	S	.	.	H	α-helix	trans	-57.5	-34.6	174.5	-75	-177.8	-9.1	0	0	113.1	I485 L486 N487 L510 Q655 S659	Q483-I485 VanDerWaalsContact C-N 3.33Å; Q483-I485 PolarHBondContact O-N 3.39Å; Q483-L486 PolarHBondContact O-N 3.21Å; Q483-L486 VanDerWaalsContact O-N 3.1Å; Q483-N487 PolarHBondContact O-N 3.03Å; Q483-L510 HydrophobicContact CG-CD1 4.15Å; Q483-L510 HydrophobicContact CG-CD2 3.97Å; Q483-L510 HydrophobicContact CG-CG 4.24Å; Q483-Q655 VanDerWaalsContact NE2-NE2 3.12Å; Q483-S659 PolarHBondContact NE2-O 3.33Å; Q483-S659 PolarHBondContact OE1-O 2.84Å
484	T	52.5	Low	60.6	Low	88 Å²	88	79.5 Å²	79.5	54%	0.54	41%	0.41	S	S	.	.	H	α-helix	trans	-65.3	-29	-177.7	56.8	0	0	0	0	113	N482 N488	N482-T484 VanDerWaalsContact C-N 3.26Å; N482-T484 VanDerWaalsContact CG-OG1 3.27Å; N482-T484 PolarHBondContact ND2-OG1 3.12Å; N482-T484 PolarHBondContact O-N 3.14Å; N482-T484 PolarHBondContact OD1-N 3.14Å; T484-N488 PolarHBondContact O-N 2.68Å
485	I	48.3	Very low	57.7	Low	41 Å²	41	84.5 Å²	84.5	21%	0.21	43%	0.431	C	S	.	.	H	α-helix	trans	-74.5	-37	178.5	-60	172.4	0	0	0	110.5	N482 Q483 N488 H489	N482-I485 HydrophobicContact CB-CB 4.49Å; N482-I485 HydrophobicContact CB-CD1 3.9Å; N482-I485 HydrophobicContact CB-CG1 4.02Å; N482-I485 PolarHBondContact O-N 3.19Å; Q483-I485 VanDerWaalsContact C-N 3.33Å; Q483-I485 PolarHBondContact O-N 3.39Å; I485-N488 PolarHBondContact O-N 2.92Å; I485-H489 PolarHBondContact O-CD2 3.16Å; I485-H489 PolarHBondContact O-N 2.97Å
486	L	45.7	Very low	55	Low	66.5 Å²	66.5	87.2 Å²	87.2	35%	0.348	45%	0.451	S	S	.	.	H	α-helix	trans	-68	-41.1	-179.8	-94.4	155	0	0	0	112.7	V481 N482 Q483 N488 H489 L510	V481-L486 HydrophobicContact CG2-CD1 3.73Å; V481-L486 HydrophobicContact CG2-CG 4.45Å; N482-L486 PolarHBondContact O-N 3.28Å; Q483-L486 PolarHBondContact O-N 3.21Å; Q483-L486 VanDerWaalsContact O-N 3.1Å; L486-N488 VanDerWaalsContact C-N 3.27Å; L486-N488 PolarHBondContact O-N 2.96Å; L486-H489 PolarHBondContact O-N 3.04Å; L486-H489 VanDerWaalsContact O-N 3.16Å; L486-L510 HydrophobicContact CD1-CD1 3.51Å
487	N	44.1	Very low	52.4	Low	116.5 Å²	116.5	92 Å²	92	62%	0.623	49%	0.485	S	S	*	.	H	α-helix	trans	-67	-25.1	179.1	-77	-3.5	0	0	0	113.1	Q483 H489	Q483-N487 PolarHBondContact O-N 3.03Å; N487-H489 VanDerWaalsContact C-N 3.29Å; N487-H489 PolarHBondContact O-N 3.42Å
488	N	39.9	Very low	50	Low	106.5 Å²	106.5	93.6 Å²	93.6	57%	0.57	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-21	176.1	-83.4	-12.5	0	0	0	113.6	T484 I485 L486 N490 N491	T484-N488 PolarHBondContact O-N 2.68Å; I485-N488 PolarHBondContact O-N 2.92Å; L486-N488 VanDerWaalsContact C-N 3.27Å; L486-N488 PolarHBondContact O-N 2.96Å; N488-N490 PolarHBondContact O-N 3.24Å; N488-N491 WeakPolarHBondContact O-CB 3.42Å; N488-N491 PolarHBondContact O-N 2.92Å
489	H	37.7	Very low	47.5	Very low	131.5 Å²	131.5	99.3 Å²	99.3	61%	0.609	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-20.1	179.6	-87.4	-51.3	0	0	0	114.4	I485 L486 N487 N491	I485-H489 PolarHBondContact O-CD2 3.16Å; I485-H489 PolarHBondContact O-N 2.97Å; L486-H489 PolarHBondContact O-N 3.04Å; L486-H489 VanDerWaalsContact O-N 3.16Å; N487-H489 VanDerWaalsContact C-N 3.29Å; N487-H489 PolarHBondContact O-N 3.42Å; H489-N491 PolarHBondContact O-N 3.11Å
490	N	39.3	Very low	45.5	Very low	135.5 Å²	135.5	98.9 Å²	98.9	73%	0.725	52%	0.523	S	S	*	.	S	Bend	trans	-79.8	-8.6	176.3	-71.9	-9.6	0	0	0	113.4	N488	N488-N490 PolarHBondContact O-N 3.24Å
491	N	36.7	Very low	43.6	Very low	119.5 Å²	119.5	106 Å²	106	64%	0.639	56%	0.555	S	S	*	*	S	Bend	trans	-92.7	104.5	171.1	-73	-21.2	0	0	0	109.7	N488 H489 T493	N488-N491 WeakPolarHBondContact O-CB 3.42Å; N488-N491 PolarHBondContact O-N 2.92Å; H489-N491 PolarHBondContact O-N 3.11Å; N491-T493 PolarHBondContact O-N 2.89Å
492	H	33.8	Very low	42.2	Very low	180.5 Å²	180.5	115.7 Å²	115.7	84%	0.836	59%	0.59	S	S	*	*			trans	-47	80	178.2	-94.5	-75.6	0	0	0	116.5	N494	H492-N494 PolarHBondContact O-N 2.64Å
493	T	35.3	Very low	41.4	Very low	111.5 Å²	111.5	121.6 Å²	121.6	68%	0.684	62%	0.621	S	S	*	*	S	Bend	trans	-38.1	95	162.7	57.2	0	0	0	0	113.6	N491	N491-T493 PolarHBondContact O-N 2.89Å
494	N	34.5	Very low	41.4	Very low	149.5 Å²	149.5	121.5 Å²	121.5	80%	0.799	63%	0.626	S	S	*	*			trans	107.4	100.4	147.5	-79.8	-17.7	0	0	0	110.8	H492 P496	H492-N494 PolarHBondContact O-N 2.64Å; N494-P496 VanDerWaalsContact C-N 3.34Å; N494-P496 WeakPolarHBondContact O-CD 3.48Å; N494-P496 WeakPolarHBondContact O-CG 3.47Å
495	Y	32.3	Very low	41.8	Very low	236 Å²	236	118.4 Å²	118.4	93%	0.925	61%	0.611	S	S	*	*			trans	-26.4	93.3	166.2	-80	-95	0	0	0	112.2	S497	Y495-S497 PolarHBondContact O-N 3.09Å; Y495-S497 VanDerWaalsContact O-N 3.15Å
496	P	32.6	Very low	42.5	Very low	106.5 Å²	106.5	119.5 Å²	119.5	69%	0.692	62%	0.621	S	S	*	*			trans	-82	113	161.4	6.3	15.1	0	0	0	102.8	N494 L498	N494-P496 VanDerWaalsContact C-N 3.34Å; N494-P496 WeakPolarHBondContact O-CD 3.48Å; N494-P496 WeakPolarHBondContact O-CG 3.47Å; P496-L498 PolarHBondContact O-N 3.22Å
497	S	37.3	Very low	43.7	Very low	105.5 Å²	105.5	118.1 Å²	118.1	74%	0.738	61%	0.614	S	S	*	*			trans	-25.7	104.9	159.8	20.3	0	0	0	0	109.8	Y495 V499	Y495-S497 PolarHBondContact O-N 3.09Å; Y495-S497 VanDerWaalsContact O-N 3.15Å; S497-V499 VanDerWaalsContact C-N 3.29Å; S497-V499 PolarHBondContact O-N 3.07Å
498	L	41	Very low	45.1	Very low	92 Å²	92	117.4 Å²	117.4	48%	0.482	61%	0.605	S	S	.	*			trans	-55.9	98.2	172.8	-78.7	146.8	0	0	0	106.3	P496 F500	P496-L498 PolarHBondContact O-N 3.22Å; L498-F500 HydrophobicContact CB-CD2 3.84Å; L498-F500 HydrophobicContact CB-CE2 3.52Å; L498-F500 VanDerWaalsContact CB-CE2 3.5Å; L498-F500 HydrophobicContact CB-CG 4.41Å; L498-F500 HydrophobicContact CB-CZ 4Å; L498-F500 HydrophobicContact CD1-CE2 4.09Å; L498-F500 HydrophobicContact CD1-CZ 4.04Å; L498-F500 HydrophobicContact CD2-CE1 4.28Å; L498-F500 HydrophobicContact CD2-CE2 4.4Å; L498-F500 HydrophobicContact CD2-CZ 4.03Å; L498-F500 HydrophobicContact CG-CE2 4.29Å; L498-F500 HydrophobicContact CG-CZ 4.36Å; L498-F500 WeakPolarHBondContact O-CD2 3.41Å; L498-F500 PolarHBondContact O-N 2.94Å
499	V	39.5	Very low	46.8	Very low	120.5 Å²	120.5	112.5 Å²	112.5	73%	0.73	58%	0.58	S	S	*	*			trans	-71.7	81.2	166.8	-177.2	0	0	0	0	105.1	S497 H501	S497-V499 VanDerWaalsContact C-N 3.29Å; S497-V499 PolarHBondContact O-N 3.07Å; V499-H501 PolarHBondContact O-N 2.86Å; V499-H501 VanDerWaalsContact O-N 3.11Å
500	F	46.2	Very low	48.8	Very low	67 Å²	67	106.8 Å²	106.8	29%	0.294	55%	0.554	S	S	.	*			trans	-59.2	111	164.6	-70.1	-76.4	0	0	0	106.2	P458 L498 R502 L531	P458-F500 HydrophobicContact CB-CD1 3.48Å; P458-F500 HydrophobicContact CB-CE1 3.67Å; P458-F500 HydrophobicContact CB-CG 4.35Å; P458-F500 WeakPolarHBondContact O-CE1 3.31Å; P458-F500 VanDerWaalsContact O-CZ 3.32Å; P458-F500 WeakPolarHBondContact O-CZ 3.44Å; L498-F500 HydrophobicContact CB-CD2 3.84Å; L498-F500 HydrophobicContact CB-CE2 3.52Å; L498-F500 VanDerWaalsContact CB-CE2 3.5Å; L498-F500 HydrophobicContact CB-CG 4.41Å; L498-F500 HydrophobicContact CB-CZ 4Å; L498-F500 HydrophobicContact CD1-CE2 4.09Å; L498-F500 HydrophobicContact CD1-CZ 4.04Å; L498-F500 HydrophobicContact CD2-CE1 4.28Å; L498-F500 HydrophobicContact CD2-CE2 4.4Å; L498-F500 HydrophobicContact CD2-CZ 4.03Å; L498-F500 HydrophobicContact CG-CE2 4.29Å; L498-F500 HydrophobicContact CG-CZ 4.36Å; L498-F500 WeakPolarHBondContact O-CD2 3.41Å; L498-F500 PolarHBondContact O-N 2.94Å; F500-R502 VanDerWaalsContact C-N 3.3Å; F500-R502 PolarHBondContact O-N 3.18Å; F500-L531 HydrophobicContact CE2-CD1 4.42Å; F500-L531 HydrophobicContact CZ-CD1 4.44Å
501	H	43.5	Very low	51	Low	151.5 Å²	151.5	100.6 Å²	100.6	70%	0.701	52%	0.521	S	S	*	.			trans	-56.4	110.3	163.9	-75.3	-72.3	0	0	0	106.2	V499 N503 S504	V499-H501 PolarHBondContact O-N 2.86Å; V499-H501 VanDerWaalsContact O-N 3.11Å; H501-N503 PolarHBondContact O-N 3.22Å; H501-S504 PolarHBondContact O-N 2.95Å; H501-S504 PolarHBondContact O-OG 3.11Å
502	R	45.7	Very low	53.5	Low	224.5 Å²	224.5	95.9 Å²	95.9	85%	0.847	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	1.8	-178.1	-76.4	-171	-176.4	-168	2.7	114.2	F500	F500-R502 VanDerWaalsContact C-N 3.3Å; F500-R502 PolarHBondContact O-N 3.18Å
503	N	49.4	Very low	56.2	Low	152.5 Å²	152.5	87.6 Å²	87.6	82%	0.816	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	19.4	-177.6	-70.9	-6	0	0	0	113.3	H501 G505 E539	H501-N503 PolarHBondContact O-N 3.22Å; N503-G505 VanDerWaalsContact C-N 3.29Å; N503-G505 PolarHBondContact O-N 3.45Å; N503-E539 WeakPolarHBondContact CA-OE1 3.28Å; N503-E539 PolarHBondContact N-OE1 3.22Å
504	S	54.6	Low	58.9	Low	49 Å²	49	82.3 Å²	82.3	34%	0.343	42%	0.423	S	S	.	.			trans	-79.3	39.4	173.3	47.3	0	0	0	0	110.7	P458 H501 E539	P458-S504 WeakPolarHBondContact CG-OG 3.16Å; H501-S504 PolarHBondContact O-N 2.95Å; H501-S504 PolarHBondContact O-OG 3.11Å; S504-E539 PolarHBondContact N-OE1 2.98Å; S504-E539 PolarHBondContact OG-OE2 2.77Å
505	G	60	Low	61.6	Low	22 Å²	22	75.6 Å²	75.6	23%	0.227	39%	0.388	C	S	.	.			trans	4.1	-178	-176.4	0	0	0	0	0	112.9	N503 L507 E539	N503-G505 VanDerWaalsContact C-N 3.29Å; N503-G505 PolarHBondContact O-N 3.45Å; G505-L507 PolarHBondContact O-N 3.26Å; G505-L507 VanDerWaalsContact O-N 3.12Å; G505-E539 WeakPolarHBondContact CA-OE2 3.25Å; G505-E539 VanDerWaalsContact N-CD 3.3Å; G505-E539 PolarHBondContact N-OE1 3.09Å; G505-E539 PolarHBondContact N-OE2 3.32Å
506	P	63.2	Low	64.5	Low	64 Å²	64	65.6 Å²	65.6	42%	0.416	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-50.2	124.2	178.9	16.9	-29.3	0	0	0	111.9	I455 E539 F540	I455-P506 HydrophobicContact CG2-CB 3.5Å; I455-P506 VanDerWaalsContact CG2-CB 3.5Å; P506-E539 WeakPolarHBondContact CD-OE2 3.35Å; P506-F540 HydrophobicContact CB-CB 4.17Å; P506-F540 HydrophobicContact CB-CD2 4.14Å; P506-F540 HydrophobicContact CB-CG 4.22Å
507	L	71.1	Confident	67.3	Low	38 Å²	38	60.8 Å²	60.8	20%	0.199	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.5	-178.5	-63.7	170.3	0	0	0	110	I455 H456 P458 N482 G505 G509	I455-L507 WeakPolarHBondContact CA-O 3.36Å; H456-L507 PolarHBondContact N-O 3.15Å; H456-L507 PolarHBondContact ND1-O 2.85Å; H456-L507 VanDerWaalsContact ND1-O 3.09Å; H456-L507 PolarHBondContact O-N 3.02Å; P458-L507 HydrophobicContact CB-CD1 4.02Å; P458-L507 HydrophobicContact CG-CD1 3.68Å; P458-L507 HydrophobicContact CG-CG 4.15Å; N482-L507 HydrophobicContact CB-CD1 4.48Å; N482-L507 WeakPolarHBondContact ND2-CD1 3.18Å; G505-L507 PolarHBondContact O-N 3.26Å; G505-L507 VanDerWaalsContact O-N 3.12Å; L507-G509 PolarHBondContact O-N 3.19Å
508	K	74.6	Confident	69.7	Low	102 Å²	102	60.6 Å²	60.6	44%	0.443	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	118.7	171.3	-62.6	-175.9	179.9	-179.9	0	108.6	P385 T454	P385-K508 HydrophobicContact CB-CD 3.6Å; P385-K508 HydrophobicContact CG-CB 4.47Å; P385-K508 HydrophobicContact CG-CD 3.92Å; P385-K508 PolarHBondContact O-NZ 3.32Å; T454-K508 WeakPolarHBondContact O-CA 3.43Å
509	G	74.7	Confident	72	Confident	2.5 Å²	2.5	62.6 Å²	62.6	3%	0.026	31%	0.313	C	S	.	.			trans	-80.3	178.6	179.4	0	0	0	0	0	113.1	T454 L507	T454-G509 PolarHBondContact O-N 3.13Å; T454-G509 VanDerWaalsContact OG1-CA 3.31Å; T454-G509 WeakPolarHBondContact OG1-CA 3.45Å; T454-G509 PolarHBondContact OG1-N 2.04Å; T454-G509 PolarHBondContact OG1-O 2.85Å; L507-G509 PolarHBondContact O-N 3.19Å
510	L	79	Confident	74.4	Confident	12.5 Å²	12.5	58 Å²	58	7%	0.065	28%	0.284	C	S	.	.			trans	-71.2	142.2	171.8	-68.4	170.4	0	0	0	111.6	T454 V481 Q483 L486 Y512 Q663	T454-L510 WeakPolarHBondContact CG2-O 3.37Å; T454-L510 PolarHBondContact OG1-N 2.77Å; T454-L510 PolarHBondContact OG1-O 2.86Å; T454-L510 VanDerWaalsContact OG1-O 3.07Å; V481-L510 HydrophobicContact CG2-CD1 4.49Å; V481-L510 WeakPolarHBondContact O-CG 3.42Å; V481-L510 PolarHBondContact O-N 2.94Å; Q483-L510 HydrophobicContact CG-CD1 4.15Å; Q483-L510 HydrophobicContact CG-CD2 3.97Å; Q483-L510 HydrophobicContact CG-CG 4.24Å; L486-L510 HydrophobicContact CD1-CD1 3.51Å; L510-Y512 HydrophobicContact CB-CE2 4.06Å; L510-Y512 WeakPolarHBondContact O-CE2 3.29Å; L510-Q663 HydrophobicContact CB-CG 4.43Å; L510-Q663 HydrophobicContact CD1-CG 4.37Å; L510-Q663 HydrophobicContact CD2-CG 4.1Å
511	V	86	Confident	76.6	Confident	5.5 Å²	5.5	55.3 Å²	55.3	3%	0.033	27%	0.274	C	S	.	.			trans	-112.9	147.5	172.8	-167.5	0	0	0	0	108.6	L451 L661 R662 Q663	L451-V511 HydrophobicContact CB-CG1 4.06Å; L451-V511 HydrophobicContact CD2-CG1 4.21Å; L451-V511 HydrophobicContact CG-CG1 3.98Å; L451-V511 WeakPolarHBondContact O-CG1 3.36Å; V511-L661 PolarHBondContact N-O 3.19Å; V511-R662 VanDerWaalsContact CG1-NH1 3.34Å; V511-R662 VanDerWaalsContact CG1-NH2 3.33Å; V511-R662 CarbonylContact O-C 3.53Å; V511-R662 VanDerWaalsContact O-CA 3.24Å; V511-R662 WeakPolarHBondContact O-CA 3.46Å; V511-Q663 PolarHBondContact O-N 2.83Å
512	Y	88.8	Confident	79	Confident	20.5 Å²	20.5	48.1 Å²	48.1	8%	0.08	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-121.1	155.9	-172.7	-66.8	-95.7	0	0	0	112.3	L451 W478 L479 L510 G514 R662 Q663	L451-Y512 HydrophobicContact CD2-CD2 3.89Å; W478-Y512 HydrophobicContact CB-CD1 4.49Å; W478-Y512 HydrophobicContact CB-CD2 3.53Å; W478-Y512 HydrophobicContact CB-CE2 3.72Å; W478-Y512 HydrophobicContact CB-CG 3.98Å; W478-Y512 AromaticContact CD1-CD1 3.54Å; W478-Y512 AromaticContact CD1-CD2 3.78Å; W478-Y512 AromaticContact CD1-CG 3.26Å; W478-Y512 HydrophobicContact CD2-CD2 4.32Å; W478-Y512 HydrophobicContact CD2-CG 4.26Å; W478-Y512 HydrophobicContact CG-CD1 4.2Å; W478-Y512 AromaticContact CG-CD2 3.6Å; W478-Y512 HydrophobicContact CG-CD2 3.6Å; W478-Y512 HydrophobicContact CG-CE2 4.25Å; W478-Y512 AromaticContact CG-CG 3.58Å; W478-Y512 HydrophobicContact CG-CG 3.58Å; W478-Y512 VanDerWaalsContact NE1-CB 3.26Å; W478-Y512 AromaticContact NE1-CG 3.76Å; L479-Y512 WeakPolarHBondContact CA-OH 3.3Å; L479-Y512 WeakPolarHBondContact CB-OH 3.43Å; L479-Y512 PolarHBondContact N-OH 3.12Å; L479-Y512 VanDerWaalsContact N-OH 3.11Å; L479-Y512 VanDerWaalsContact O-CE2 3.22Å; L479-Y512 WeakPolarHBondContact O-CE2 3.31Å; L479-Y512 PolarHBondContact O-OH 2.9Å; L479-Y512 VanDerWaalsContact O-OH 3.09Å; L510-Y512 HydrophobicContact CB-CE2 4.06Å; L510-Y512 WeakPolarHBondContact O-CE2 3.29Å; Y512-G514 PolarHBondContact O-N 3.36Å; Y512-R662 VanDerWaalsContact C-CG 3.46Å; Y512-R662 WeakPolarHBondContact O-CD 3.42Å; Y512-R662 PolarHBondContact O-NH1 2.87Å; Y512-Q663 CarbonylContact C-O 3.59Å; Y512-Q663 WeakPolarHBondContact CA-O 3.3Å; Y512-Q663 HydrophobicContact CD1-CB 3.54Å; Y512-Q663 HydrophobicContact CD1-CG 4.39Å; Y512-Q663 HydrophobicContact CE1-CB 3.67Å; Y512-Q663 HydrophobicContact CE1-CG 4.12Å; Y512-Q663 HydrophobicContact CG-CB 4.25Å
513	Q	90.2	Very high	81.2	Confident	7 Å²	7	38.1 Å²	38.1	3%	0.033	20%	0.204	C	C	.	.			trans	-53.1	137.3	174.1	-179.2	179	-6.1	0	0	111.7	W478 W581 S606 D608 Q663 N665	W478-Q513 VanDerWaalsContact CZ2-O 3.3Å; W478-Q513 WeakPolarHBondContact CZ2-O 3.28Å; Q513-W581 CarbonylContact C-O 3.54Å; Q513-W581 WeakPolarHBondContact CA-O 3.41Å; Q513-S606 WeakPolarHBondContact CB-OG 3.41Å; Q513-S606 WeakPolarHBondContact CG-O 3.35Å; Q513-S606 PolarHBondContact OE1-OG 3.33Å; Q513-D608 PolarHBondContact NE2-OD1 3.08Å; Q513-Q663 PolarHBondContact N-O 3Å; Q513-N665 WeakPolarHBondContact CB-ND2 3.34Å; Q513-N665 PolarHBondContact O-ND2 3.12Å
514	G	91.8	Very high	83.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.			trans	-64.1	140.4	175.8	0	0	0	0	0	112.5	I449 N450 Y512 K556 W581	I449-G514 CarbonylContact O-C 3.48Å; I449-G514 VanDerWaalsContact O-CA 3.27Å; I449-G514 WeakPolarHBondContact O-CA 3.38Å; N450-G514 WeakPolarHBondContact OD1-CA 3.37Å; Y512-G514 PolarHBondContact O-N 3.36Å; G514-K556 PolarHBondContact O-NZ 2.79Å; G514-W581 PolarHBondContact N-O 3.16Å
515	V	92.4	Very high	85.1	Confident	9.5 Å²	9.5	30.7 Å²	30.7	6%	0.058	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158.5	-177.4	-66.5	0	0	0	0	111.6	T448 I449 I466 I475 A476 W478 N665	T448-V515 CarbonylContact C-O 3.57Å; T448-V515 WeakPolarHBondContact CA-O 3.37Å; I449-V515 HydrophobicContact CB-CG2 4.35Å; I449-V515 PolarHBondContact N-O 2.73Å; I449-V515 PolarHBondContact O-N 3.17Å; I466-V515 HydrophobicContact CD1-CG2 3.61Å; I466-V515 HydrophobicContact CG2-CG2 4.27Å; I475-V515 HydrophobicContact CG2-CB 3.81Å; I475-V515 HydrophobicContact CG2-CG1 4.12Å; I475-V515 HydrophobicContact CG2-CG2 4.27Å; A476-V515 HydrophobicContact CB-CG1 3.92Å; A476-V515 HydrophobicContact CB-CG2 4.21Å; W478-V515 HydrophobicContact CH2-CG2 4.18Å; W478-V515 HydrophobicContact CZ2-CG1 4.18Å; W478-V515 HydrophobicContact CZ2-CG2 3.92Å; V515-N665 WeakPolarHBondContact CG1-ND2 3.27Å
516	S	92.2	Very high	86.7	Confident	25 Å²	25	29.6 Å²	29.6	18%	0.175	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.3	176.6	-58.4	0	0	0	0	110.2	I447 T448 K556	I447-S516 CarbonylContact O-C 3.57Å; I447-S516 VanDerWaalsContact O-CA 3.23Å; I447-S516 WeakPolarHBondContact O-CA 3.33Å; T448-S516 WeakPolarHBondContact CG2-OG 3.49Å; T448-S516 PolarHBondContact OG1-OG 3.04Å; S516-K556 WeakPolarHBondContact OG-CB 3.36Å; S516-K556 WeakPolarHBondContact OG-CD 3.36Å; S516-K556 WeakPolarHBondContact OG-CE 3.27Å; S516-K556 WeakPolarHBondContact OG-CG 3.38Å
517	S	92.7	Very high	88	Confident	5.5 Å²	5.5	28.7 Å²	28.7	4%	0.038	14%	0.137	C	C	.	.			trans	-78.4	166.8	172.2	52.5	0	0	0	0	112.8	I446 I447 D468 R519 I522	I446-S517 WeakPolarHBondContact CG2-O 3.38Å; I447-S517 PolarHBondContact N-OG 3.47Å; I447-S517 PolarHBondContact O-N 2.89Å; I447-S517 PolarHBondContact O-OG 3.07Å; D468-S517 WeakPolarHBondContact OD2-CA 3.31Å; D468-S517 VanDerWaalsContact OD2-CB 3.31Å; D468-S517 WeakPolarHBondContact OD2-CB 3.28Å; S517-R519 VanDerWaalsContact CB-O 3.31Å; S517-R519 WeakPolarHBondContact CB-O 3.42Å; S517-R519 PolarHBondContact OG-O 2.88Å; S517-I522 VanDerWaalsContact CB-CG2 3.5Å
518	D	88	Confident	88.8	Confident	101.5 Å²	101.5	27.5 Å²	27.5	54%	0.543	13%	0.13	S	C	.	.	S	Bend	trans	-79.6	-30.9	173.6	-64.7	-32.6	0	0	0	111.2	D468 T471	D468-D518 PolarHBondContact OD2-N 3.18Å; T471-D518 VanDerWaalsContact CG2-OD2 3.22Å; T471-D518 WeakPolarHBondContact CG2-OD2 3.35Å
519	R	89.2	Confident	89.4	Confident	134 Å²	134	24.9 Å²	24.9	51%	0.506	12%	0.121	S	C	.	.	S	Bend	trans	-136.8	-158.9	179.2	-67.1	-165.9	178.6	-164.5	-1.6	111.7	Q445 F470 S517 A521	Q445-R519 CarbonylContact O-C 3.28Å; F470-R519 HydrophobicContact CB-CB 4.23Å; F470-R519 HydrophobicContact CB-CG 4.38Å; F470-R519 HydrophobicContact CD1-CG 4.15Å; F470-R519 HydrophobicContact CD2-CB 3.62Å; F470-R519 HydrophobicContact CD2-CG 4.32Å; F470-R519 HydrophobicContact CE2-CB 3.59Å; F470-R519 HydrophobicContact CG-CG 4.17Å; F470-R519 HydrophobicContact CZ-CB 4.48Å; S517-R519 VanDerWaalsContact CB-O 3.31Å; S517-R519 WeakPolarHBondContact CB-O 3.42Å; S517-R519 PolarHBondContact OG-O 2.88Å; R519-A521 VanDerWaalsContact C-N 3.3Å; R519-A521 PolarHBondContact O-N 3.2Å
520	N	89.8	Confident	89.6	Confident	24.5 Å²	24.5	25.2 Å²	25.2	13%	0.131	12%	0.121	C	C	.	.	S	Bend	trans	-83.8	10.8	-169.6	68.4	-44.3	0	0	0	116	A439 S440 Q442 Q445 I447 F470	A439-N520 CarbonylContact C-O 3.52Å; A439-N520 VanDerWaalsContact CA-O 3.24Å; A439-N520 WeakPolarHBondContact CA-O 3.4Å; S440-N520 PolarHBondContact N-O 3.31Å; S440-N520 PolarHBondContact O-ND2 2.71Å; Q442-N520 WeakPolarHBondContact O-CB 3.33Å; Q442-N520 PolarHBondContact O-ND2 2.96Å; Q445-N520 WeakPolarHBondContact O-CA 3.36Å; Q445-N520 VanDerWaalsContact O-CB 3.26Å; Q445-N520 WeakPolarHBondContact O-CB 3.27Å; Q445-N520 PolarHBondContact O-N 3.08Å; Q445-N520 VanDerWaalsContact O-N 3.11Å; I447-N520 VanDerWaalsContact CD1-O 3.28Å; I447-N520 WeakPolarHBondContact CD1-O 3.32Å; F470-N520 VanDerWaalsContact CE2-OD1 3.23Å; F470-N520 WeakPolarHBondContact CE2-OD1 3.25Å; F470-N520 WeakPolarHBondContact CZ-OD1 3.48Å
521	A	91.5	Very high	89.4	Confident	9 Å²	9	29.7 Å²	29.7	7%	0.074	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	138.2	-176.5	0	0	0	0	0	114.3	V438 A439 K469 F470 R519	V438-A521 WeakPolarHBondContact O-CA 3.24Å; A439-A521 HydrophobicContact CB-CB 3.92Å; K469-A521 HydrophobicContact CB-CB 3.85Å; K469-A521 WeakPolarHBondContact CB-O 3.39Å; K469-A521 HydrophobicContact CD-CB 3.95Å; K469-A521 HydrophobicContact CG-CB 4.46Å; K469-A521 PolarHBondContact N-O 3.13Å; K469-A521 VanDerWaalsContact N-O 3.16Å; F470-A521 HydrophobicContact CD2-CB 4.35Å; F470-A521 HydrophobicContact CE2-CB 3.64Å; F470-A521 HydrophobicContact CZ-CB 4.21Å; R519-A521 VanDerWaalsContact C-N 3.3Å; R519-A521 PolarHBondContact O-N 3.2Å
522	I	93.1	Very high	88.7	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	159.1	-179.9	56.2	168.3	0	0	0	111.6	V438 I447 I449 W467 I475 S517 I524	V438-I522 HydrophobicContact CB-CD1 3.97Å; V438-I522 HydrophobicContact CB-CG1 3.7Å; V438-I522 HydrophobicContact CG1-CG1 4.5Å; V438-I522 HydrophobicContact CG2-CD1 4.32Å; V438-I522 HydrophobicContact CG2-CG1 4.39Å; V438-I522 PolarHBondContact N-O 3.26Å; V438-I522 VanDerWaalsContact N-O 3.09Å; V438-I522 WeakPolarHBondContact O-CG1 3.42Å; V438-I522 PolarHBondContact O-N 3.15Å; I447-I522 HydrophobicContact CB-CD1 4.44Å; I447-I522 HydrophobicContact CB-CG2 4.35Å; I447-I522 HydrophobicContact CD1-CD1 4.5Å; I447-I522 HydrophobicContact CD1-CG1 4.01Å; I447-I522 HydrophobicContact CG2-CD1 3.67Å; I447-I522 HydrophobicContact CG2-CG1 4.28Å; I449-I522 HydrophobicContact CD1-CD1 3.17Å; I449-I522 HydrophobicContact CD1-CG1 4.5Å; I449-I522 HydrophobicContact CG1-CD1 3.73Å; W467-I522 CarbonylContact O-C 3.52Å; W467-I522 WeakPolarHBondContact O-CA 3.27Å; I475-I522 HydrophobicContact CD1-CG2 4.36Å; S517-I522 VanDerWaalsContact CB-CG2 3.5Å; I522-I524 HydrophobicContact CD1-CD1 4.02Å; I522-I524 HydrophobicContact CD1-CG1 4.11Å
523	L	92.6	Very high	87.7	Confident	14.5 Å²	14.5	35.9 Å²	35.9	8%	0.076	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.7	170.4	172	59.4	0	0	0	109.2	E435 H437 W467 K525	E435-L523 HydrophobicContact CB-CD1 3.81Å; E435-L523 HydrophobicContact CG-CD1 4.18Å; H437-L523 VanDerWaalsContact CE1-CD1 3.45Å; H437-L523 WeakPolarHBondContact CE1-CD1 3.34Å; W467-L523 HydrophobicContact CB-CB 4.12Å; W467-L523 PolarHBondContact N-O 3.17Å; W467-L523 PolarHBondContact O-N 2.99Å; L523-K525 VanDerWaalsContact CD2-CE 3.42Å; L523-K525 HydrophobicContact CG-CG 4.22Å
524	I	93.3	Very high	86.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.3	178.2	-59.5	168.3	0	0	0	107.5	V403 M419 E435 F436 V438 I449 I464 I522 L548 I550	V403-I524 HydrophobicContact CG2-CG2 4.34Å; M419-I524 HydrophobicContact CE-CD1 4.44Å; M419-I524 HydrophobicContact SD-CD1 3.55Å; M419-I524 VanDerWaalsContact SD-CD1 3.55Å; E435-I524 CarbonylContact C-O 3.55Å; E435-I524 VanDerWaalsContact CA-O 3.25Å; E435-I524 WeakPolarHBondContact CA-O 3.2Å; F436-I524 PolarHBondContact N-O 3.14Å; F436-I524 PolarHBondContact O-N 3.14Å; V438-I524 HydrophobicContact CG2-CD1 4.12Å; I449-I524 HydrophobicContact CD1-CD1 4.19Å; I449-I524 HydrophobicContact CD1-CG1 4.24Å; I464-I524 HydrophobicContact CG2-CG2 4.01Å; I522-I524 HydrophobicContact CD1-CD1 4.02Å; I522-I524 HydrophobicContact CD1-CG1 4.11Å; I524-L548 HydrophobicContact CD1-CD1 4.35Å; I524-L548 HydrophobicContact CG2-CD1 4.24Å; I524-I550 HydrophobicContact CD1-CD1 4Å
525	K	93.1	Very high	85.1	Confident	45.5 Å²	45.5	51.7 Å²	51.7	20%	0.198	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.4	174.4	-57.4	-172.7	176.3	-173.2	0	109.5	M433 C434 E435 I464 E465 L523 F527	M433-K525 HydrophobicContact SD-CD 4.47Å; C434-K525 CarbonylContact O-C 3.54Å; C434-K525 WeakPolarHBondContact O-CA 3.32Å; E435-K525 HydrophobicContact CB-CG 3.9Å; E435-K525 VanDerWaalsContact OE2-CE 3.22Å; E435-K525 WeakPolarHBondContact OE2-CE 3.32Å; E435-K525 IonicContact OE2-NZ 3.27Å; I464-K525 CarbonylContact C-O 3.53Å; I464-K525 WeakPolarHBondContact CA-O 3.33Å; E465-K525 HydrophobicContact CB-CB 4.28Å; E465-K525 PolarHBondContact N-O 3.17Å; E465-K525 PolarHBondContact O-N 3.44Å; L523-K525 VanDerWaalsContact CD2-CE 3.42Å; L523-K525 HydrophobicContact CG-CG 4.22Å; K525-F527 HydrophobicContact CB-CD2 4.31Å; K525-F527 HydrophobicContact CB-CE2 3.56Å; K525-F527 HydrophobicContact CB-CZ 4.17Å; K525-F527 HydrophobicContact CD-CE2 4.41Å; K525-F527 HydrophobicContact CD-CZ 4.31Å
526	F	92.5	Very high	83.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.6	175.4	171.8	-120.1	0	0	0	109.5	V403 C404 A421 M433 C434 I464 L480 W528 I544	V403-F526 HydrophobicContact CB-CB 4.49Å; V403-F526 HydrophobicContact CG1-CB 3.93Å; C404-F526 VanDerWaalsContact SG-CD1 3.59Å; A421-F526 HydrophobicContact CB-CB 4.26Å; A421-F526 HydrophobicContact CB-CD1 4.28Å; A421-F526 HydrophobicContact CB-CD2 3.93Å; A421-F526 HydrophobicContact CB-CE2 4.31Å; A421-F526 HydrophobicContact CB-CG 3.9Å; M433-F526 CarbonylContact C-O 3.48Å; M433-F526 VanDerWaalsContact CA-O 3.26Å; M433-F526 WeakPolarHBondContact CA-O 3.12Å; C434-F526 PolarHBondContact N-O 2.94Å; C434-F526 PolarHBondContact O-N 3.16Å; I464-F526 HydrophobicContact CD1-CD2 4.48Å; I464-F526 HydrophobicContact CG1-CD2 3.87Å; L480-F526 HydrophobicContact CD1-CD2 4.09Å; L480-F526 HydrophobicContact CD1-CE2 3.59Å; F526-W528 AromaticContact CD1-CE3 3.83Å; F526-W528 HydrophobicContact CD1-CE3 3.92Å; F526-W528 HydrophobicContact CD1-CZ3 4.34Å; F526-W528 HydrophobicContact CE1-CB 4.44Å; F526-W528 HydrophobicContact CE1-CD2 4.5Å; F526-W528 AromaticContact CE1-CE3 3.85Å; F526-W528 HydrophobicContact CE1-CE3 3.85Å; F526-W528 HydrophobicContact CE1-CZ3 4.47Å; F526-W528 HydrophobicContact CZ-CB 4.23Å; F526-I544 HydrophobicContact CE2-CG2 4.15Å; F526-I544 HydrophobicContact CZ-CB 4.31Å; F526-I544 HydrophobicContact CZ-CG2 4.13Å
527	F	91.7	Very high	82.9	Confident	45.5 Å²	45.5	54.7 Å²	54.7	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.2	177.2	-59.4	-101.9	0	0	0	109.1	G432 M433 G462 R463 E465 K525	G432-F527 WeakPolarHBondContact O-CA 3.4Å; M433-F527 HydrophobicContact CB-CD1 3.56Å; M433-F527 VanDerWaalsContact CB-CD1 3.46Å; M433-F527 HydrophobicContact CB-CE1 3.7Å; M433-F527 HydrophobicContact CB-CG 4.22Å; M433-F527 HydrophobicContact CB-CZ 4.37Å; M433-F527 HydrophobicContact CE-CE1 4.16Å; M433-F527 HydrophobicContact CE-CZ 4.3Å; M433-F527 HydrophobicContact CG-CD1 4.06Å; M433-F527 HydrophobicContact CG-CD2 4.26Å; M433-F527 HydrophobicContact CG-CE1 3.83Å; M433-F527 VanDerWaalsContact CG-CE1 3.49Å; M433-F527 HydrophobicContact CG-CE2 4.09Å; M433-F527 HydrophobicContact CG-CG 4.06Å; M433-F527 HydrophobicContact CG-CZ 3.71Å; G462-F527 CarbonylContact C-O 3.56Å; G462-F527 WeakPolarHBondContact CA-O 3.24Å; R463-F527 HydrophobicContact CG-CB 3.8Å; R463-F527 HydrophobicContact CG-CD2 3.88Å; R463-F527 HydrophobicContact CG-CG 4.09Å; R463-F527 PolarHBondContact N-O 2.96Å; R463-F527 PolarHBondContact O-N 2.91Å; E465-F527 HydrophobicContact CB-CE2 4.31Å; E465-F527 VanDerWaalsContact CD-CE2 3.5Å; E465-F527 HydrophobicContact CG-CD2 4.29Å; E465-F527 HydrophobicContact CG-CE2 3.8Å; E465-F527 WeakPolarHBondContact OE1-CE2 3.48Å; K525-F527 HydrophobicContact CB-CD2 4.31Å; K525-F527 HydrophobicContact CB-CE2 3.56Å; K525-F527 HydrophobicContact CB-CZ 4.17Å; K525-F527 HydrophobicContact CD-CE2 4.41Å; K525-F527 HydrophobicContact CD-CZ 4.31Å
528	W	88.1	Confident	81.7	Confident	13 Å²	13	58.1 Å²	58.1	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157	174.1	67.8	89.1	0	0	0	111.2	L423 F428 K429 S431 G432 C434 Y461 F526 I544	L423-W528 HydrophobicContact CD1-CB 4.05Å; L423-W528 HydrophobicContact CD1-CD2 4.2Å; L423-W528 HydrophobicContact CD1-CG 3.75Å; L423-W528 HydrophobicContact CD2-CB 4.36Å; L423-W528 VanDerWaalsContact CD2-CD1 3.42Å; L423-W528 HydrophobicContact CD2-CD2 3.43Å; L423-W528 VanDerWaalsContact CD2-CD2 3.43Å; L423-W528 HydrophobicContact CD2-CE3 4.13Å; L423-W528 HydrophobicContact CD2-CG 3.49Å; L423-W528 VanDerWaalsContact CD2-CG 3.49Å; L423-W528 HydrophobicContact CD2-CZ2 3.96Å; L423-W528 VanDerWaalsContact CD2-NE1 3.32Å; L423-W528 HydrophobicContact CG-CB 4.39Å; L423-W528 HydrophobicContact CG-CD2 4.29Å; L423-W528 HydrophobicContact CG-CG 4.01Å; F428-W528 HydrophobicContact CB-CZ2 4.05Å; F428-W528 AromaticContact CD1-CH2 3.71Å; F428-W528 HydrophobicContact CD1-CH2 3.91Å; F428-W528 AromaticContact CD1-CZ2 3.41Å; F428-W528 HydrophobicContact CD1-CZ2 3.41Å; F428-W528 VanDerWaalsContact CD1-CZ2 3.46Å; F428-W528 AromaticContact CE1-CH2 3.88Å; F428-W528 HydrophobicContact CE1-CH2 3.96Å; F428-W528 AromaticContact CE1-CZ2 3.61Å; F428-W528 HydrophobicContact CE1-CZ2 3.93Å; F428-W528 HydrophobicContact CG-CZ2 4.26Å; K429-W528 PolarHBondContact O-NE1 3.16Å; S431-W528 VanDerWaalsContact CA-O 3.28Å; S431-W528 WeakPolarHBondContact CA-O 3.4Å; G432-W528 VanDerWaalsContact C-CH2 3.5Å; G432-W528 VanDerWaalsContact CA-CZ2 3.42Å; G432-W528 PolarHBondContact N-O 3.26Å; G432-W528 PolarHBondContact O-N 2.91Å; G432-W528 VanDerWaalsContact O-N 3.1Å; C434-W528 HydrophobicContact CB-CZ3 4.35Å; C434-W528 WeakPolarHBondContact SG-CZ3 3.18Å; Y461-W528 CarbonylContact O-C 3.51Å; F526-W528 AromaticContact CD1-CE3 3.83Å; F526-W528 HydrophobicContact CD1-CE3 3.92Å; F526-W528 HydrophobicContact CD1-CZ3 4.34Å; F526-W528 HydrophobicContact CE1-CB 4.44Å; F526-W528 HydrophobicContact CE1-CD2 4.5Å; F526-W528 AromaticContact CE1-CE3 3.85Å; F526-W528 HydrophobicContact CE1-CE3 3.85Å; F526-W528 HydrophobicContact CE1-CZ3 4.47Å; F526-W528 HydrophobicContact CZ-CB 4.23Å; W528-I544 HydrophobicContact CB-CD1 4.09Å
529	N	85.3	Confident	80.8	Confident	46.5 Å²	46.5	57.3 Å²	57.3	25%	0.249	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	135.3	168.5	-161.6	-5.7	0	0	0	110.1	T430 A460 Y461	T430-N529 CarbonylContact O-C 3.47Å; T430-N529 VanDerWaalsContact O-CA 3.31Å; T430-N529 WeakPolarHBondContact O-CA 3.39Å; T430-N529 PolarHBondContact O-OD1 2.87Å; A460-N529 WeakPolarHBondContact CA-O 3.44Å; Y461-N529 HydrophobicContact CD1-CB 4.27Å; Y461-N529 HydrophobicContact CD2-CB 4.19Å; Y461-N529 HydrophobicContact CE1-CB 3.81Å; Y461-N529 HydrophobicContact CE2-CB 3.73Å; Y461-N529 HydrophobicContact CG-CB 4.38Å; Y461-N529 PolarHBondContact N-O 3.4Å; Y461-N529 PolarHBondContact O-N 2.94Å; Y461-N529 VanDerWaalsContact O-O 3.06Å; Y461-N529 PolarHBondContact OH-ND2 2.94Å
530	K	80.5	Confident	80.1	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.4	173.9	63.1	171	-171.2	164.2	0	110	P426 F428 T430 A460 T532 D533 R534 F535	P426-K530 PolarHBondContact O-NZ 3Å; F428-K530 WeakPolarHBondContact O-CE 3.08Å; F428-K530 PolarHBondContact O-NZ 2.85Å; T430-K530 WeakPolarHBondContact O-CG 3.28Å; T430-K530 PolarHBondContact O-N 3.2Å; A460-K530 HydrophobicContact CB-CB 4.4Å; K530-T532 VanDerWaalsContact C-N 3.34Å; K530-T532 WeakPolarHBondContact CD-O 3.29Å; K530-T532 WeakPolarHBondContact CE-O 3.26Å; K530-T532 WeakPolarHBondContact CG-O 3.22Å; K530-T532 PolarHBondContact NZ-O 3.1Å; K530-T532 PolarHBondContact O-N 3.05Å; K530-D533 PolarHBondContact NZ-O 3.15Å; K530-R534 PolarHBondContact NZ-O 3.3Å; K530-F535 PolarHBondContact NZ-O 3.44Å
531	L	74.9	Confident	79.3	Confident	108.5 Å²	108.5	53.7 Å²	53.7	57%	0.568	28%	0.277	S	S	*	.	S	Bend	trans	-61.4	-25.1	-174.5	-69.5	171.3	0	0	0	114.5	I459 F500 F535	I459-L531 HydrophobicContact CB-CB 4.42Å; I459-L531 HydrophobicContact CB-CD1 4Å; I459-L531 HydrophobicContact CB-CG 4.48Å; I459-L531 HydrophobicContact CG2-CD1 3.9Å; I459-L531 PolarHBondContact O-N 3.23Å; F500-L531 HydrophobicContact CE2-CD1 4.42Å; F500-L531 HydrophobicContact CZ-CD1 4.44Å; L531-F535 HydrophobicContact CB-CD2 4.18Å
532	T	71.2	Confident	78.6	Confident	46 Å²	46	55.1 Å²	55.1	28%	0.282	28%	0.283	S	S	.	.			trans	-139.3	149.2	179.1	75.6	0	0	0	0	111.3	T430 I459 K530 R534 F535	T430-T532 VanDerWaalsContact CG2-C 3.44Å; I459-T532 HydrophobicContact CD1-CG2 3.94Å; K530-T532 VanDerWaalsContact C-N 3.34Å; K530-T532 WeakPolarHBondContact CD-O 3.29Å; K530-T532 WeakPolarHBondContact CE-O 3.26Å; K530-T532 WeakPolarHBondContact CG-O 3.22Å; K530-T532 PolarHBondContact NZ-O 3.1Å; K530-T532 PolarHBondContact O-N 3.05Å; T532-R534 PolarHBondContact O-N 2.98Å; T532-R534 PolarHBondContact OG1-N 2.92Å; T532-F535 HydrophobicContact CG2-CD2 3.74Å; T532-F535 HydrophobicContact CG2-CE2 3.81Å; T532-F535 PolarHBondContact O-N 2.91Å; T532-F535 WeakPolarHBondContact OG1-CD2 3.14Å; T532-F535 PolarHBondContact OG1-N 3.24Å
533	D	67.3	Low	78.1	Confident	109.5 Å²	109.5	55.2 Å²	55.2	59%	0.586	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.9	170.8	-80.4	-40.3	0	0	0	112.5	K429 T430 K530	K429-D533 WeakPolarHBondContact CA-OD1 3.4Å; T430-D533 WeakPolarHBondContact CA-OD1 3.46Å; T430-D533 HydrophobicContact CG2-CB 4.37Å; T430-D533 WeakPolarHBondContact CG2-OD1 3.4Å; T430-D533 PolarHBondContact N-OD1 2.85Å; T430-D533 PolarHBondContact OG1-OD1 2.81Å; K530-D533 PolarHBondContact NZ-O 3.15Å
534	R	65.3	Low	77.8	Confident	212 Å²	212	54.5 Å²	54.5	80%	0.8	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	62.1	-178.1	-65.3	-174.7	-179.6	-176.4	-0.1	112.8	K530 T532 V536	K530-R534 PolarHBondContact NZ-O 3.3Å; T532-R534 PolarHBondContact O-N 2.98Å; T532-R534 PolarHBondContact OG1-N 2.92Å; R534-V536 VanDerWaalsContact C-N 3.34Å; R534-V536 PolarHBondContact O-N 2.91Å
535	F	62.7	Low	77.4	Confident	126.5 Å²	126.5	55.1 Å²	55.1	56%	0.555	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-69.7	46.5	-179.4	-75.9	-67.8	0	0	0	112.4	P426 I459 K530 L531 T532	P426-F535 HydrophobicContact CB-CB 3.98Å; P426-F535 HydrophobicContact CB-CD1 3.45Å; P426-F535 VanDerWaalsContact CB-CD1 3.45Å; P426-F535 HydrophobicContact CB-CE1 4.3Å; P426-F535 HydrophobicContact CB-CG 4.1Å; P426-F535 WeakPolarHBondContact O-CD1 3.42Å; I459-F535 HydrophobicContact CD1-CB 3.7Å; I459-F535 HydrophobicContact CD1-CG 4.29Å; K530-F535 PolarHBondContact NZ-O 3.44Å; L531-F535 HydrophobicContact CB-CD2 4.18Å; T532-F535 HydrophobicContact CG2-CD2 3.74Å; T532-F535 HydrophobicContact CG2-CE2 3.81Å; T532-F535 PolarHBondContact O-N 2.91Å; T532-F535 WeakPolarHBondContact OG1-CD2 3.14Å; T532-F535 PolarHBondContact OG1-N 3.24Å
536	V	65.9	Low	77.3	Confident	91.5 Å²	91.5	53 Å²	53	56%	0.555	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-106.4	129.6	171.4	-175.9	0	0	0	0	106.2	P426 R534 S538 A541	P426-V536 HydrophobicContact CB-CB 4.46Å; P426-V536 HydrophobicContact CB-CG1 3.89Å; P426-V536 HydrophobicContact CB-CG2 4.3Å; R534-V536 VanDerWaalsContact C-N 3.34Å; R534-V536 PolarHBondContact O-N 2.91Å; V536-S538 PolarHBondContact O-N 2.85Å; V536-A541 HydrophobicContact CG1-CB 4.18Å
537	C	72.5	Confident	77.2	Confident	6 Å²	6	53 Å²	53	4%	0.041	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-62.6	148.6	172.7	-68.3	0	0	0	0	110.1	D457 I459 E539 F540 C543	D457-C537 HydrophobicContact CB-CB 3.82Å; D457-C537 VanDerWaalsContact OD2-CB 3.26Å; D457-C537 WeakPolarHBondContact OD2-CB 3.18Å; I459-C537 HydrophobicContact CD1-CB 3.89Å; I459-C537 HydrophobicContact CG1-CB 4.15Å; C537-E539 VanDerWaalsContact C-N 3.34Å; C537-E539 PolarHBondContact O-N 2.89Å; C537-F540 VanDerWaalsContact CB-O 3.29Å; C537-F540 WeakPolarHBondContact CB-O 3.21Å; C537-C543 HydrophobicContact CB-CB 3.97Å; C537-C543 WeakPolarHBondContact CB-SG 3.15Å; C537-C543 VanDerWaalsContact SG-CA 3.54Å; C537-C543 WeakPolarHBondContact SG-CB 3.39Å; C537-C543 CovalentContact SG-SG 2.02Å; C537-C543 PolarHBondContact SG-SG 3.15Å
538	S	66.6	Low	77.2	Confident	77 Å²	77	50.9 Å²	50.9	54%	0.538	26%	0.264	S	S	.	.	S	Bend	trans	-65.3	-36.7	-160.4	50.9	0	0	0	0	114	D457 V536	D457-S538 PolarHBondContact OD1-N 2.83Å; D457-S538 PolarHBondContact OD1-OG 2.94Å; D457-S538 PolarHBondContact OD2-N 3.04Å; D457-S538 VanDerWaalsContact OD2-N 3.13Å; D457-S538 PolarHBondContact OD2-OG 2.93Å; V536-S538 PolarHBondContact O-N 2.85Å
539	E	69.3	Low	77.4	Confident	84.5 Å²	84.5	50.8 Å²	50.8	40%	0.395	26%	0.264	S	S	.	.	S	Bend	trans	-130.1	-21.9	-175.5	-65.7	-175.5	168.2	0	0	113.3	D457 N503 S504 G505 P506 C537	D457-E539 PolarHBondContact OD2-N 3.2Å; N503-E539 WeakPolarHBondContact CA-OE1 3.28Å; N503-E539 PolarHBondContact N-OE1 3.22Å; S504-E539 PolarHBondContact N-OE1 2.98Å; S504-E539 PolarHBondContact OG-OE2 2.77Å; G505-E539 WeakPolarHBondContact CA-OE2 3.25Å; G505-E539 VanDerWaalsContact N-CD 3.3Å; G505-E539 PolarHBondContact N-OE1 3.09Å; G505-E539 PolarHBondContact N-OE2 3.32Å; P506-E539 WeakPolarHBondContact CD-OE2 3.35Å; C537-E539 VanDerWaalsContact C-N 3.34Å; C537-E539 PolarHBondContact O-N 2.89Å
540	F	74.5	Confident	77.7	Confident	20 Å²	20	48.6 Å²	48.6	9%	0.088	25%	0.253	C	S	.	.			trans	-118.9	109.2	-179.4	-172.8	-121.1	0	0	0	111.4	I455 D457 P506 C537 N542 C543 R545	I455-F540 HydrophobicContact CB-CE1 4.3Å; I455-F540 HydrophobicContact CB-CZ 4.36Å; I455-F540 HydrophobicContact CG2-CD1 4.13Å; I455-F540 HydrophobicContact CG2-CD2 4.4Å; I455-F540 HydrophobicContact CG2-CE1 3.98Å; I455-F540 HydrophobicContact CG2-CE2 4.26Å; I455-F540 HydrophobicContact CG2-CG 4.36Å; I455-F540 HydrophobicContact CG2-CZ 4.05Å; D457-F540 HydrophobicContact CB-CB 4.21Å; D457-F540 PolarHBondContact OD2-N 3.33Å; P506-F540 HydrophobicContact CB-CB 4.17Å; P506-F540 HydrophobicContact CB-CD2 4.14Å; P506-F540 HydrophobicContact CB-CG 4.22Å; C537-F540 VanDerWaalsContact CB-O 3.29Å; C537-F540 WeakPolarHBondContact CB-O 3.21Å; F540-N542 VanDerWaalsContact C-N 3.35Å; F540-N542 HydrophobicContact CE1-CB 3.95Å; F540-N542 HydrophobicContact CZ-CB 4.09Å; F540-N542 PolarHBondContact O-N 3.12Å; F540-C543 WeakPolarHBondContact O-CA 2.96Å; F540-C543 PolarHBondContact O-N 3.12Å; F540-R545 HydrophobicContact CE1-CB 3.75Å; F540-R545 HydrophobicContact CZ-CB 3.63Å; F540-R545 VanDerWaalsContact CZ-CB 3.45Å; F540-R545 HydrophobicContact CZ-CG 4.38Å
541	A	73.3	Confident	78.2	Confident	63.5 Å²	63.5	48.4 Å²	48.4	53%	0.525	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-36.4	-171.1	0	0	0	0	0	114.1	V536 C543	V536-A541 HydrophobicContact CG1-CB 4.18Å; A541-C543 PolarHBondContact O-N 2.84Å
542	N	76.5	Confident	78.9	Confident	37.5 Å²	37.5	43.3 Å²	43.3	20%	0.201	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	5.9	-178.8	-61.4	-13	0	0	0	113	E422 L423 F540 I544	E422-N542 HydrophobicContact CB-CB 4.24Å; E422-N542 PolarHBondContact OE2-ND2 2.95Å; L423-N542 WeakPolarHBondContact CB-O 3.22Å; L423-N542 PolarHBondContact N-O 3.09Å; F540-N542 VanDerWaalsContact C-N 3.35Å; F540-N542 HydrophobicContact CE1-CB 3.95Å; F540-N542 HydrophobicContact CZ-CB 4.09Å; F540-N542 PolarHBondContact O-N 3.12Å; N542-I544 PolarHBondContact O-N 3.31Å; N542-I544 VanDerWaalsContact O-O 3.07Å
543	C	82.3	Confident	79.7	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.02	21%	0.214	C	C	.	.	S	Bend	trans	57.4	-48.6	179.3	-63.9	0	0	0	0	116.5	L423 H456 D457 A460 C537 F540 A541	L423-C543 HydrophobicContact CB-CB 4.31Å; L423-C543 HydrophobicContact CD1-CB 3.99Å; L423-C543 HydrophobicContact CD2-CB 4.48Å; H456-C543 CarbonylContact C-O 3.54Å; H456-C543 VanDerWaalsContact CA-O 3.26Å; H456-C543 WeakPolarHBondContact CA-O 3.25Å; D457-C543 WeakPolarHBondContact CB-O 3.35Å; D457-C543 PolarHBondContact N-O 2.8Å; A460-C543 HydrophobicContact CB-CB 3.98Å; C537-C543 HydrophobicContact CB-CB 3.97Å; C537-C543 WeakPolarHBondContact CB-SG 3.15Å; C537-C543 VanDerWaalsContact SG-CA 3.54Å; C537-C543 WeakPolarHBondContact SG-CB 3.39Å; C537-C543 CovalentContact SG-SG 2.02Å; C537-C543 PolarHBondContact SG-SG 3.15Å; F540-C543 WeakPolarHBondContact O-CA 2.96Å; F540-C543 PolarHBondContact O-N 3.12Å; A541-C543 PolarHBondContact O-N 2.84Å
544	I	85.9	Confident	80.5	Confident	1.5 Å²	1.5	40.5 Å²	40.5	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	134.5	177.5	-56	174.8	0	0	0	106.7	E422 L423 I455 H456 A460 Y461 L480 F526 W528 N542	E422-I544 WeakPolarHBondContact CA-O 3.25Å; E422-I544 WeakPolarHBondContact CB-O 3.39Å; L423-I544 PolarHBondContact N-O 3.35Å; I455-I544 CarbonylContact O-C 3.59Å; I455-I544 WeakPolarHBondContact O-CA 3.06Å; H456-I544 HydrophobicContact CB-CB 4.5Å; H456-I544 HydrophobicContact CB-CG1 4.16Å; H456-I544 HydrophobicContact CB-CG2 4.43Å; A460-I544 HydrophobicContact CB-CD1 4.05Å; A460-I544 HydrophobicContact CB-CG1 3.78Å; Y461-I544 VanDerWaalsContact O-CD1 3.3Å; Y461-I544 WeakPolarHBondContact O-CD1 3.39Å; L480-I544 HydrophobicContact CB-CG2 4.26Å; L480-I544 HydrophobicContact CD1-CG2 3.77Å; F526-I544 HydrophobicContact CE2-CG2 4.15Å; F526-I544 HydrophobicContact CZ-CB 4.31Å; F526-I544 HydrophobicContact CZ-CG2 4.13Å; W528-I544 HydrophobicContact CB-CD1 4.09Å; N542-I544 PolarHBondContact O-N 3.31Å; N542-I544 VanDerWaalsContact O-O 3.07Å
545	R	86.8	Confident	81.6	Confident	12.5 Å²	12.5	34.6 Å²	34.6	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.4	170.8	179.1	-176.2	7.2	170.4	10.3	108.9	E391 I420 A421 E422 E453 T454 I455 F540	E391-R545 IonicContact OE1-CZ 3.36Å; E391-R545 IonicContact OE1-NH1 3.86Å; E391-R545 PolarHBondContact OE1-NH1 3.08Å; E391-R545 IonicContact OE1-NH2 2.97Å; E391-R545 PolarHBondContact OE1-NH2 2.66Å; I420-R545 HydrophobicContact CG2-CG 4.11Å; A421-R545 CarbonylContact O-C 3.52Å; A421-R545 WeakPolarHBondContact O-CA 3.32Å; E422-R545 HydrophobicContact CB-CB 4.36Å; E422-R545 HydrophobicContact CB-CG 4.35Å; E422-R545 IonicContact OE2-NE 3.18Å; E422-R545 PolarHBondContact OE2-NE 3.18Å; E422-R545 IonicContact OE2-NH2 3.31Å; E453-R545 IonicContact OE2-CZ 3.55Å; E453-R545 IonicContact OE2-NH2 2.87Å; E453-R545 PolarHBondContact OE2-NH2 3.45Å; T454-R545 CarbonylContact C-O 3.52Å; T454-R545 WeakPolarHBondContact CA-O 3.4Å; I455-R545 HydrophobicContact CB-CB 4.5Å; I455-R545 VanDerWaalsContact CD1-NH2 3.33Å; I455-R545 PolarHBondContact N-O 2.86Å; I455-R545 PolarHBondContact O-N 2.88Å; F540-R545 HydrophobicContact CE1-CB 3.75Å; F540-R545 HydrophobicContact CZ-CB 3.63Å; F540-R545 VanDerWaalsContact CZ-CB 3.45Å; F540-R545 HydrophobicContact CZ-CG 4.38Å
546	A	90.5	Very high	82.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.6	171.2	0	0	0	0	0	109.4	A421 L451 E453 T454 I464 L480	A421-A546 HydrophobicContact CB-CB 4.21Å; A421-A546 PolarHBondContact N-O 3.18Å; A421-A546 PolarHBondContact O-N 3.46Å; L451-A546 HydrophobicContact CD1-CB 3.93Å; E453-A546 WeakPolarHBondContact O-CA 3.08Å; T454-A546 HydrophobicContact CG2-CB 4.16Å; I464-A546 HydrophobicContact CD1-CB 3.55Å; L480-A546 HydrophobicContact CD1-CB 4.1Å; L480-A546 HydrophobicContact CD2-CB 4.08Å
547	L	90.3	Very high	83.9	Confident	1.5 Å²	1.5	26.8 Å²	26.8	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.2	-179.5	-179.7	59.2	0	0	0	110.3	W389 F396 L418 I420 L451 L452 E453	W389-L547 HydrophobicContact CB-CD2 4.31Å; W389-L547 HydrophobicContact CD2-CD2 3.73Å; W389-L547 HydrophobicContact CE3-CD2 4.47Å; W389-L547 HydrophobicContact CG-CD2 3.61Å; F396-L547 HydrophobicContact CE1-CD1 3.58Å; F396-L547 HydrophobicContact CE1-CD2 3.97Å; F396-L547 HydrophobicContact CE1-CG 4.36Å; F396-L547 HydrophobicContact CZ-CD1 4.28Å; F396-L547 HydrophobicContact CZ-CD2 3.84Å; L418-L547 HydrophobicContact CB-CD1 4.06Å; L418-L547 HydrophobicContact CD1-CD1 4.38Å; L418-L547 HydrophobicContact CD2-CD1 4.16Å; L418-L547 HydrophobicContact CG-CD1 4.42Å; I420-L547 HydrophobicContact CG1-CD1 4.12Å; L451-L547 CarbonylContact C-O 3.57Å; L452-L547 HydrophobicContact CB-CD2 4.2Å; L452-L547 HydrophobicContact CB-CG 4.25Å; L452-L547 HydrophobicContact CD1-CD2 4.34Å; L452-L547 HydrophobicContact CD1-CG 4.46Å; L452-L547 PolarHBondContact N-O 3.22Å; E453-L547 HydrophobicContact CB-CB 4.22Å; E453-L547 PolarHBondContact O-N 2.93Å
548	L	91.7	Very high	84.9	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.9	178.3	-55.8	170.6	0	0	0	109.6	L418 M419 I449 N450 L451 I464 W478 I524	L418-L548 CarbonylContact C-O 3.53Å; L418-L548 WeakPolarHBondContact CA-O 3.32Å; M419-L548 HydrophobicContact CB-CB 4.18Å; M419-L548 HydrophobicContact CG-CD1 4.46Å; M419-L548 PolarHBondContact N-O 2.92Å; M419-L548 WeakPolarHBondContact O-CA 3.25Å; M419-L548 WeakPolarHBondContact O-CB 3.07Å; M419-L548 PolarHBondContact O-N 3.28Å; M419-L548 HydrophobicContact SD-CD1 4.49Å; I449-L548 HydrophobicContact CG2-CB 4.2Å; I449-L548 HydrophobicContact CG2-CD2 3.99Å; I449-L548 HydrophobicContact CG2-CG 4.49Å; N450-L548 CarbonylContact O-C 3.4Å; N450-L548 WeakPolarHBondContact O-CA 3.46Å; L451-L548 HydrophobicContact CB-CD2 4.42Å; L451-L548 HydrophobicContact CD1-CD2 3.65Å; I464-L548 HydrophobicContact CD1-CD2 4.35Å; W478-L548 HydrophobicContact CE3-CD2 4.39Å; W478-L548 HydrophobicContact CZ3-CD2 3.66Å; I524-L548 HydrophobicContact CD1-CD1 4.35Å; I524-L548 HydrophobicContact CG2-CD1 4.24Å
549	H	91	Very high	86.1	Confident	12 Å²	12	23.6 Å²	23.6	6%	0.056	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.9	170.6	175.4	-92.9	0	0	0	108.9	P416 L418 I449 N450 L452 S551	P416-H549 WeakPolarHBondContact CB-NE2 3.37Å; L418-H549 HydrophobicContact CD2-CB 4.07Å; I449-H549 WeakPolarHBondContact CA-O 3.34Å; N450-H549 HydrophobicContact CB-CB 4.32Å; N450-H549 PolarHBondContact N-O 3.29Å; N450-H549 PolarHBondContact O-N 3.02Å; L452-H549 HydrophobicContact CD1-CB 3.68Å; L452-H549 HydrophobicContact CD2-CB 4.2Å; L452-H549 HydrophobicContact CG-CB 3.8Å; H549-S551 PolarHBondContact CE1-OG 2.86Å; H549-S551 PolarHBondContact ND1-OG 2.61Å; H549-S551 VanDerWaalsContact ND1-OG 3.15Å
550	I	91.8	Very high	87.4	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.7	-173.6	-55.6	-175	0	0	0	108.3	F415 P416 F417 M419 V438 I447 T448 I524	F415-I550 HydrophobicContact CD1-CG2 4.2Å; F415-I550 HydrophobicContact CE1-CG2 3.83Å; P416-I550 CarbonylContact C-O 3.45Å; P416-I550 WeakPolarHBondContact CA-O 3.36Å; P416-I550 WeakPolarHBondContact CB-O 3.11Å; F417-I550 HydrophobicContact CD2-CB 4.42Å; F417-I550 HydrophobicContact CE1-CB 4.43Å; F417-I550 HydrophobicContact CE1-CG2 4.31Å; F417-I550 HydrophobicContact CE2-CB 4.15Å; F417-I550 HydrophobicContact CE2-CD1 3.75Å; F417-I550 HydrophobicContact CE2-CG1 4.35Å; F417-I550 HydrophobicContact CZ-CB 4.16Å; F417-I550 HydrophobicContact CZ-CD1 4.09Å; F417-I550 HydrophobicContact CZ-CG2 4.08Å; F417-I550 PolarHBondContact N-O 3.17Å; F417-I550 PolarHBondContact O-N 3.26Å; M419-I550 HydrophobicContact CB-CD1 3.73Å; M419-I550 HydrophobicContact CB-CG1 4.35Å; M419-I550 HydrophobicContact CE-CD1 3.72Å; M419-I550 HydrophobicContact CG-CD1 4.4Å; M419-I550 HydrophobicContact SD-CD1 3.81Å; V438-I550 HydrophobicContact CG1-CG2 4.22Å; V438-I550 HydrophobicContact CG2-CD1 4.08Å; I447-I550 HydrophobicContact CG2-CG2 3.61Å; T448-I550 WeakPolarHBondContact O-CA 3.31Å; I524-I550 HydrophobicContact CD1-CD1 4Å
551	S	91.2	Very high	88.4	Confident	2.5 Å²	2.5	19.7 Å²	19.7	2%	0.017	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	160.9	-176.7	1.6	0	0	0	0	110.9	P416 I447 T448 H549 L557	P416-S551 WeakPolarHBondContact CB-OG 3.31Å; I447-S551 CarbonylContact C-O 3.58Å; I447-S551 WeakPolarHBondContact CA-O 3.29Å; T448-S551 PolarHBondContact N-O 2.8Å; T448-S551 PolarHBondContact O-N 3.31Å; T448-S551 PolarHBondContact O-OG 3.49Å; H549-S551 PolarHBondContact CE1-OG 2.86Å; H549-S551 PolarHBondContact ND1-OG 2.61Å; H549-S551 VanDerWaalsContact ND1-OG 3.15Å; S551-L557 VanDerWaalsContact CB-CD2 3.49Å
552	V	90.6	Very high	89.6	Confident	2 Å²	2	16.7 Å²	16.7	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.4	174.7	-67.8	0	0	0	0	111.4	F415 Q445 I446 I447	F415-V552 HydrophobicContact CB-CG1 4.44Å; F415-V552 HydrophobicContact CB-CG2 3.61Å; F415-V552 HydrophobicContact CD1-CB 4.5Å; F415-V552 HydrophobicContact CD1-CG1 3.67Å; F415-V552 HydrophobicContact CD1-CG2 4.39Å; F415-V552 HydrophobicContact CD2-CB 4.24Å; F415-V552 HydrophobicContact CD2-CG1 3.61Å; F415-V552 HydrophobicContact CD2-CG2 3.6Å; F415-V552 HydrophobicContact CE1-CG1 3.59Å; F415-V552 HydrophobicContact CE2-CG1 3.54Å; F415-V552 VanDerWaalsContact CE2-CG1 3.5Å; F415-V552 HydrophobicContact CE2-CG2 4.32Å; F415-V552 HydrophobicContact CG-CB 4.2Å; F415-V552 HydrophobicContact CG-CG1 3.66Å; F415-V552 HydrophobicContact CG-CG2 3.63Å; F415-V552 HydrophobicContact CZ-CG1 3.53Å; Q445-V552 HydrophobicContact CB-CB 4.41Å; Q445-V552 HydrophobicContact CG-CB 4.49Å; I446-V552 WeakPolarHBondContact O-CA 3.3Å; I447-V552 HydrophobicContact CG1-CG1 4.07Å
553	G	88	Confident	90.6	Very high	4 Å²	4	17.9 Å²	17.9	4%	0.041	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	167.1	172.6	0	0	0	0	0	110.2	Q445 I446 T555	Q445-G553 WeakPolarHBondContact CA-O 3.13Å; I446-G553 PolarHBondContact N-O 3.14Å; I446-G553 PolarHBondContact O-N 2.75Å; I446-G553 VanDerWaalsContact O-N 3.13Å; G553-T555 CarbonylContact C-O 3.57Å; G553-T555 PolarHBondContact O-N 3.09Å
554	Q	84.8	Confident	91.3	Very high	92 Å²	92	21.4 Å²	21.4	43%	0.43	11%	0.11	S	C	.	.	S	Bend	trans	-65	-28.6	168	-72.4	169.8	-8.4	0	0	111.4	E269 T274	E269-Q554 PolarHBondContact OE1-NE2 3.09Å; T274-Q554 HydrophobicContact CG2-CG 4.1Å
555	T	86.5	Confident	91.9	Very high	90 Å²	90	21.4 Å²	21.4	55%	0.552	11%	0.11	S	C	*	.	S	Bend	trans	-127.7	176.9	172.9	63.3	0	0	0	0	109	G553 L557	G553-T555 CarbonylContact C-O 3.57Å; G553-T555 PolarHBondContact O-N 3.09Å; T555-L557 PolarHBondContact O-N 3.15Å; T555-L557 VanDerWaalsContact O-N 3.12Å
556	K	89.2	Confident	92.5	Very high	32.5 Å²	32.5	24.6 Å²	24.6	14%	0.141	13%	0.128	C	C	.	.	S	Bend	trans	-47.4	123.3	166.1	178.6	164.1	-161.1	-174.7	0	109.5	T448 G514 S516 P558 A582 Y583 D608	T448-K556 HydrophobicContact CG2-CG 4.38Å; G514-K556 PolarHBondContact O-NZ 2.79Å; S516-K556 WeakPolarHBondContact OG-CB 3.36Å; S516-K556 WeakPolarHBondContact OG-CD 3.36Å; S516-K556 WeakPolarHBondContact OG-CE 3.27Å; S516-K556 WeakPolarHBondContact OG-CG 3.38Å; K556-P558 VanDerWaalsContact O-CD 3.27Å; K556-P558 WeakPolarHBondContact O-CD 3.45Å; K556-A582 WeakPolarHBondContact CE-O 3.44Å; K556-A582 PolarHBondContact NZ-O 2.96Å; K556-Y583 HydrophobicContact CB-CD1 4.33Å; K556-Y583 HydrophobicContact CD-CG 4.18Å; K556-Y583 HydrophobicContact CG-CD1 4.13Å; K556-Y583 HydrophobicContact CG-CG 4.17Å; K556-Y583 VanDerWaalsContact O-CD1 3.27Å; K556-Y583 WeakPolarHBondContact O-CD1 3.18Å; K556-Y583 WeakPolarHBondContact O-CE1 3.48Å; K556-D608 WeakPolarHBondContact CD-OD2 3.38Å; K556-D608 WeakPolarHBondContact CE-OD2 3.36Å; K556-D608 IonicContact NZ-OD2 3.57Å; K556-D608 PolarHBondContact NZ-OD2 3.14Å
557	L	88.8	Confident	92.9	Very high	20 Å²	20	24.6 Å²	24.6	11%	0.105	13%	0.128	C	C	.	.			trans	-74.6	119.1	-172.5	-175.5	71.9	0	0	0	110.2	Y361 T448 S551 T555	Y361-L557 HydrophobicContact CD2-CD2 4.36Å; Y361-L557 HydrophobicContact CE2-CD1 4.42Å; Y361-L557 HydrophobicContact CE2-CD2 4.2Å; T448-L557 PolarHBondContact OG1-N 2.84Å; S551-L557 VanDerWaalsContact CB-CD2 3.49Å; T555-L557 PolarHBondContact O-N 3.15Å; T555-L557 VanDerWaalsContact O-N 3.12Å
558	P	92.3	Very high	93.2	Very high	10 Å²	10	25.4 Å²	25.4	7%	0.065	13%	0.133	C	C	.	.			trans	-74.7	140.2	177.3	29.2	-35.5	0	0	0	112.1	K556 I561 Y583 H585	K556-P558 VanDerWaalsContact O-CD 3.27Å; K556-P558 WeakPolarHBondContact O-CD 3.45Å; P558-I561 HydrophobicContact CB-CD1 4.43Å; P558-I561 HydrophobicContact CB-CG1 3.85Å; P558-I561 HydrophobicContact CG-CD1 3.4Å; P558-I561 VanDerWaalsContact CG-CD1 3.44Å; P558-I561 HydrophobicContact CG-CG1 3.35Å; P558-I561 VanDerWaalsContact CG-CG1 3.41Å; P558-Y583 CarbonylContact C-O 3.54Å; P558-Y583 VanDerWaalsContact CA-O 3.28Å; P558-Y583 WeakPolarHBondContact CA-O 3.39Å; P558-Y583 HydrophobicContact CB-CD1 3.56Å; P558-Y583 HydrophobicContact CB-CE1 3.99Å; P558-Y583 HydrophobicContact CB-CG 4.24Å; P558-Y583 HydrophobicContact CG-CD1 4.22Å; P558-Y583 HydrophobicContact CG-CE1 4.36Å; P558-H585 HydrophobicContact CB-CB 4.05Å; P558-H585 HydrophobicContact CG-CB 4.43Å
559	E	93.1	Very high	93.3	Very high	6.5 Å²	6.5	26 Å²	26	3%	0.03	14%	0.14	C	C	.	.	S	Bend	trans	-74.2	-36.4	172.8	-76.6	147.9	-139.7	0	0	112	Y361 I362 L381 W581 A582 Y583 I584	Y361-E559 PolarHBondContact N-O 3.26Å; Y361-E559 VanDerWaalsContact N-O 3.11Å; I362-E559 PolarHBondContact N-O 3.09Å; L381-E559 HydrophobicContact CD1-CB 4.28Å; L381-E559 WeakPolarHBondContact CD1-OE2 3.22Å; E559-W581 WeakPolarHBondContact OE1-CB 3.49Å; E559-W581 PolarHBondContact OE1-NE1 3.29Å; E559-W581 VanDerWaalsContact OE1-NE1 3.13Å; E559-W581 PolarHBondContact OE2-N 2.96Å; E559-W581 VanDerWaalsContact OE2-N 3.08Å; E559-A582 VanDerWaalsContact OE1-CA 3.25Å; E559-A582 WeakPolarHBondContact OE1-CA 3.14Å; E559-A582 WeakPolarHBondContact OE1-CB 3.38Å; E559-A582 PolarHBondContact OE1-N 3.18Å; E559-Y583 PolarHBondContact N-O 2.99Å; E559-I584 HydrophobicContact CB-CD1 4.34Å
560	V	96	Very high	93.6	Very high	0.5 Å²	0.5	25.5 Å²	25.5	0%	0.003	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.7	179.5	-173.6	0	0	0	0	108.5	I362 I379 L381 L577 I584 H585	I362-V560 HydrophobicContact CB-CG1 4.39Å; I362-V560 HydrophobicContact CB-CG2 4.29Å; I362-V560 HydrophobicContact CD1-CG2 4.18Å; I362-V560 HydrophobicContact CG2-CG1 4.35Å; I362-V560 WeakPolarHBondContact O-CA 3.29Å; I379-V560 HydrophobicContact CD1-CG1 3.77Å; I379-V560 HydrophobicContact CG2-CG2 4.22Å; L381-V560 HydrophobicContact CD1-CG2 4.47Å; V560-L577 HydrophobicContact CB-CD1 4.33Å; V560-L577 HydrophobicContact CG1-CD1 4.36Å; V560-L577 HydrophobicContact CG2-CD1 3.89Å; V560-I584 HydrophobicContact CB-CD1 3.98Å; V560-I584 HydrophobicContact CG2-CD1 3.93Å; V560-H585 PolarHBondContact O-N 3.17Å
561	I	96	Very high	93.6	Very high	22.5 Å²	22.5	27 Å²	27	12%	0.115	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.3	169.2	-56.9	-171.9	0	0	0	107.9	I362 R363 L364 P558 K563 H585	I362-I561 PolarHBondContact O-N 3.2Å; R363-I561 VanDerWaalsContact NH1-CD1 3.28Å; L364-I561 PolarHBondContact N-O 2.65Å; P558-I561 HydrophobicContact CB-CD1 4.43Å; P558-I561 HydrophobicContact CB-CG1 3.85Å; P558-I561 HydrophobicContact CG-CD1 3.4Å; P558-I561 VanDerWaalsContact CG-CD1 3.44Å; P558-I561 HydrophobicContact CG-CG1 3.35Å; P558-I561 VanDerWaalsContact CG-CG1 3.41Å; I561-K563 HydrophobicContact CG2-CD 3.91Å; I561-K563 HydrophobicContact CG2-CG 3.71Å; I561-H585 WeakPolarHBondContact CA-O 3.43Å; I561-H585 HydrophobicContact CG1-CB 4.45Å
562	L	97.6	Very high	93.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.1	168.8	-177.8	67	0	0	0	109.2	L364 L377 S565 I567 L575 H585 L586 E587 N589 F591	L364-L562 HydrophobicContact CB-CD1 3.46Å; L364-L562 VanDerWaalsContact CB-CD1 3.46Å; L364-L562 HydrophobicContact CD1-CD1 3.96Å; L364-L562 HydrophobicContact CG-CD1 4.36Å; L364-L562 CarbonylContact O-C 3.55Å; L364-L562 VanDerWaalsContact O-CA 3.32Å; L364-L562 WeakPolarHBondContact O-CA 3.47Å; L377-L562 HydrophobicContact CD1-CD1 3.84Å; L377-L562 HydrophobicContact CD1-CD2 3.94Å; L562-S565 VanDerWaalsContact CD1-OG 3.27Å; L562-S565 WeakPolarHBondContact CD1-OG 3.15Å; L562-I567 HydrophobicContact CD2-CD1 3.82Å; L562-L575 HydrophobicContact CD2-CD2 4.25Å; L562-H585 PolarHBondContact N-O 2.95Å; L562-L586 HydrophobicContact CB-CD2 3.65Å; L562-L586 HydrophobicContact CD2-CD2 4.32Å; L562-L586 WeakPolarHBondContact O-CA 3.48Å; L562-E587 PolarHBondContact O-N 3.08Å; L562-N589 PolarHBondContact O-ND2 3.18Å; L562-F591 HydrophobicContact CD2-CE1 4.39Å; L562-F591 HydrophobicContact CD2-CZ 3.77Å
563	K	97.6	Very high	93.9	Very high	61.5 Å²	61.5	29.3 Å²	29.3	27%	0.267	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.7	-178	-67.1	-172.9	-178.4	-147.9	0	113.2	L364 N365 S366 I561 S565 E587 N589	L364-K563 PolarHBondContact O-N 2.88Å; N365-K563 WeakPolarHBondContact CA-O 3.21Å; S366-K563 PolarHBondContact N-O 2.64Å; I561-K563 HydrophobicContact CG2-CD 3.91Å; I561-K563 HydrophobicContact CG2-CG 3.71Å; K563-S565 PolarHBondContact O-N 2.98Å; K563-S565 VanDerWaalsContact O-N 3.08Å; K563-S565 PolarHBondContact O-OG 3.21Å; K563-E587 VanDerWaalsContact CA-O 3.23Å; K563-E587 WeakPolarHBondContact CA-O 3.26Å; K563-E587 VanDerWaalsContact CE-OE2 3.22Å; K563-E587 WeakPolarHBondContact CE-OE2 3.39Å; K563-E587 HydrophobicContact CG-CB 4.22Å; K563-E587 IonicContact NZ-OE2 3.15Å; K563-E587 PolarHBondContact NZ-OE2 3.03Å; K563-N589 WeakPolarHBondContact CA-OD1 3.29Å
564	N	98.1	Very high	94.3	Very high	76.5 Å²	76.5	29.1 Å²	29.1	41%	0.409	16%	0.156	S	C	.	.	S	Bend	trans	53.9	31.3	169	-52.2	-49.1	0	0	0	113.9	N365 S366 E587 N588 N589	N365-N564 PolarHBondContact OD1-ND2 2.98Å; S366-N564 WeakPolarHBondContact CA-O 3.35Å; N564-E587 PolarHBondContact N-O 3.31Å; N564-N588 CarbonylContact C-O 3.5Å; N564-N588 WeakPolarHBondContact CA-O 3.43Å; N564-N588 PolarHBondContact N-O 3.23Å; N564-N588 VanDerWaalsContact N-O 3.15Å; N564-N588 VanDerWaalsContact OD1-CB 3.3Å; N564-N588 WeakPolarHBondContact OD1-CB 3.13Å; N564-N588 PolarHBondContact OD1-ND2 2.84Å; N564-N589 PolarHBondContact N-OD1 3.13Å
565	S	98.5	Very high	94.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	14%	0.136	C	C	.	.			trans	-108.8	150.5	-167.3	-63.5	0	0	0	0	112.7	V367 L562 K563 N589 T590	V367-S565 PolarHBondContact N-OG 3.07Å; V367-S565 CarbonylContact O-C 3.45Å; V367-S565 VanDerWaalsContact O-CA 3.27Å; V367-S565 WeakPolarHBondContact O-CA 3.26Å; V367-S565 WeakPolarHBondContact O-CB 3.36Å; L562-S565 VanDerWaalsContact CD1-OG 3.27Å; L562-S565 WeakPolarHBondContact CD1-OG 3.15Å; K563-S565 PolarHBondContact O-N 2.98Å; K563-S565 VanDerWaalsContact O-N 3.08Å; K563-S565 PolarHBondContact O-OG 3.21Å; S565-N589 VanDerWaalsContact CB-OD1 3.26Å; S565-N589 WeakPolarHBondContact CB-OD1 3.35Å; S565-N589 PolarHBondContact N-OD1 3.46Å; S565-N589 CarbonylContact O-C 3.57Å; S565-N589 VanDerWaalsContact O-CA 3.24Å; S565-N589 WeakPolarHBondContact O-CA 3.28Å; S565-N589 WeakPolarHBondContact O-CB 3.31Å; S565-T590 PolarHBondContact O-N 3.26Å
566	I	98.5	Very high	95.4	Very high	80.5 Å²	80.5	20.5 Å²	20.5	41%	0.413	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.7	179.1	-59.1	173	0	0	0	108.7	V367 T368 S369 L370	V367-I566 PolarHBondContact O-N 3.11Å; T368-I566 CarbonylContact C-O 3.54Å; T368-I566 VanDerWaalsContact CA-O 3.24Å; T368-I566 WeakPolarHBondContact CA-O 3.47Å; S369-I566 PolarHBondContact N-O 2.8Å; L370-I566 HydrophobicContact CD2-CG2 4.49Å
567	I	98.3	Very high	95.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	101.5	-176.1	-60.7	161.4	0	0	0	107.9	S369 L377 L562 N570 G574 T590 F591 E592 N594	S369-I567 CarbonylContact O-C 3.57Å; S369-I567 WeakPolarHBondContact O-CA 3.26Å; L377-I567 HydrophobicContact CD1-CD1 3.49Å; L377-I567 VanDerWaalsContact CD1-CD1 3.49Å; L377-I567 HydrophobicContact CD1-CG1 4.48Å; L377-I567 HydrophobicContact CG-CD1 3.93Å; L562-I567 HydrophobicContact CD2-CD1 3.82Å; I567-N570 WeakPolarHBondContact CG2-ND2 3.2Å; I567-G574 WeakPolarHBondContact CG2-O 3.41Å; I567-T590 PolarHBondContact N-O 2.94Å; I567-F591 HydrophobicContact CB-CD1 3.93Å; I567-F591 HydrophobicContact CB-CE1 4.14Å; I567-F591 HydrophobicContact CD1-CD1 4.05Å; I567-F591 HydrophobicContact CD1-CE1 3.36Å; I567-F591 HydrophobicContact CD1-CZ 3.99Å; I567-F591 HydrophobicContact CG1-CE1 4.31Å; I567-F591 HydrophobicContact CG2-CD1 4.31Å; I567-F591 HydrophobicContact CG2-CE1 4.49Å; I567-F591 WeakPolarHBondContact O-CA 3.4Å; I567-E592 PolarHBondContact O-N 3.01Å; I567-E592 VanDerWaalsContact O-N 3.07Å; I567-N594 PolarHBondContact O-ND2 3.11Å; I567-N594 VanDerWaalsContact O-ND2 3.14Å
568	S	97.7	Very high	96	Very high	18.5 Å²	18.5	20.8 Å²	20.8	13%	0.129	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.2	-165.5	-175.2	0	0	0	0	114.8	S369 L370 R371 N570 E592	S369-S568 PolarHBondContact O-N 3.05Å; L370-S568 VanDerWaalsContact CA-O 3.28Å; L370-S568 WeakPolarHBondContact CA-O 3.47Å; R371-S568 PolarHBondContact N-O 2.92Å; S568-N570 VanDerWaalsContact C-N 3.25Å; S568-N570 PolarHBondContact N-ND2 3.13Å; S568-N570 PolarHBondContact O-N 3.05Å; S568-N570 PolarHBondContact O-ND2 2.9Å; S568-E592 CarbonylContact C-O 3.49Å; S568-E592 WeakPolarHBondContact CA-O 3.43Å; S568-E592 PolarHBondContact OG-O 3.15Å
569	G	94.5	Very high	95.9	Very high	13 Å²	13	21.7 Å²	21.7	13%	0.134	11%	0.113	C	C	.	.	S	Bend	trans	67.3	17.5	169.5	0	0	0	0	0	115.4	R371 E592 Q593	R371-G569 WeakPolarHBondContact CA-O 3.3Å; G569-E592 PolarHBondContact N-O 3.25Å; G569-Q593 WeakPolarHBondContact CA-O 3.4Å
570	N	95.7	Very high	95.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.			trans	-75.5	141.8	179.9	-56	-79.7	0	0	0	110.4	S369 N372 I567 S568 Q572 N594 Q595	S369-N570 PolarHBondContact O-ND2 3.04Å; N372-N570 WeakPolarHBondContact CB-OD1 3.15Å; N372-N570 PolarHBondContact N-OD1 3.5Å; N372-N570 VanDerWaalsContact N-OD1 3.15Å; N372-N570 PolarHBondContact ND2-OD1 3.1Å; N372-N570 CarbonylContact O-C 3.54Å; N372-N570 WeakPolarHBondContact O-CA 3.19Å; I567-N570 WeakPolarHBondContact CG2-ND2 3.2Å; S568-N570 VanDerWaalsContact C-N 3.25Å; S568-N570 PolarHBondContact N-ND2 3.13Å; S568-N570 PolarHBondContact O-N 3.05Å; S568-N570 PolarHBondContact O-ND2 2.9Å; N570-Q572 PolarHBondContact O-N 3.02Å; N570-N594 PolarHBondContact N-OD1 3.31Å; N570-N594 PolarHBondContact ND2-OD1 2.94Å; N570-N594 WeakPolarHBondContact O-CA 3.28Å; N570-Q595 WeakPolarHBondContact O-CG 3.45Å; N570-Q595 PolarHBondContact O-N 3.22Å
571	S	91.9	Very high	95.6	Very high	33 Å²	33	21.5 Å²	21.5	23%	0.231	11%	0.112	C	C	.	.	S	Bend	trans	-68.8	-19.4	-176.1	-60.7	0	0	0	0	113.3	R134 N372 N373	R134-S571 PolarHBondContact NH1-O 3.39Å; N372-S571 PolarHBondContact O-N 2.9Å; N373-S571 WeakPolarHBondContact O-CB 3.43Å
572	Q	92.6	Very high	95.3	Very high	44.5 Å²	44.5	20.4 Å²	20.4	21%	0.208	11%	0.107	C	C	.	.	S	Bend	trans	-109.9	-131.4	171.4	-59.3	178.9	-15.3	0	0	111.8	L135 H351 G374 D375 N570 Q595 Y596	L135-Q572 PolarHBondContact O-NE2 3.04Å; H351-Q572 PolarHBondContact CE1-OE1 2.84Å; G374-Q572 PolarHBondContact O-N 3.02Å; D375-Q572 WeakPolarHBondContact OD1-CB 3.32Å; D375-Q572 PolarHBondContact OD1-OE1 2.9Å; N570-Q572 PolarHBondContact O-N 3.02Å; Q572-Q595 PolarHBondContact O-N 2.84Å; Q572-Y596 VanDerWaalsContact CA-CB 3.48Å; Q572-Y596 PolarHBondContact O-N 2.81Å; Q572-Y596 VanDerWaalsContact O-N 3.12Å
573	H	95.4	Very high	95.1	Very high	7.5 Å²	7.5	22 Å²	22	4%	0.035	11%	0.113	C	C	.	.			trans	-80.2	160	178.1	-48.9	88	0	0	0	110.8	D375 G376 Y596 E597 A598 K601	D375-H573 CarbonylContact C-O 3.21Å; D375-H573 VanDerWaalsContact CA-O 3.23Å; D375-H573 WeakPolarHBondContact CA-O 3.33Å; D375-H573 WeakPolarHBondContact OD1-CB 3.36Å; D375-H573 IonicContact OD1-CE1 2.79Å; D375-H573 IonicContact OD1-CG 3.18Å; D375-H573 PolarHBondContact OD1-N 3.15Å; D375-H573 IonicContact OD1-ND1 3.07Å; D375-H573 PolarHBondContact OD1-ND1 3.18Å; D375-H573 IonicContact OD2-ND1 2.64Å; G376-H573 PolarHBondContact N-O 2.92Å; H573-Y596 PolarHBondContact CD2-O 2.9Å; H573-Y596 AromaticContact CE1-CD1 3.36Å; H573-Y596 WeakPolarHBondContact CE1-CD1 3.33Å; H573-Y596 AromaticContact CE1-CE1 3.65Å; H573-Y596 AromaticContact ND1-CD1 3.96Å; H573-Y596 AromaticContact NE2-CD1 3.52Å; H573-Y596 AromaticContact NE2-CE1 3.75Å; H573-E597 IonicContact NE2-OE2 3.2Å; H573-E597 PolarHBondContact NE2-OE2 3.49Å; H573-A598 WeakPolarHBondContact CA-O 3.39Å; H573-A598 WeakPolarHBondContact CB-O 3.19Å; H573-A598 PolarHBondContact CD2-O 2.88Å; H573-K601 WeakPolarHBondContact NE2-CD 3.33Å
574	G	96.8	Very high	95.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-68.9	-61.9	164.1	0	0	0	0	0	110.3	G376 L377 I567 N594 G599	G376-G574 CarbonylContact C-O 3.6Å; G376-G574 VanDerWaalsContact CA-O 3.27Å; G376-G574 WeakPolarHBondContact CA-O 3.28Å; G376-G574 PolarHBondContact N-O 3.46Å; L377-G574 PolarHBondContact N-O 3.07Å; I567-G574 WeakPolarHBondContact CG2-O 3.41Å; G574-N594 VanDerWaalsContact CA-CG 3.48Å; G574-N594 WeakPolarHBondContact CA-OD1 3.44Å; G574-G599 CarbonylContact C-O 3.53Å; G574-G599 WeakPolarHBondContact CA-O 3.23Å; G574-G599 PolarHBondContact N-O 3.05Å
575	L	98.2	Very high	95	Very high	1.5 Å²	1.5	16.6 Å²	16.6	1%	0.008	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.1	172	166.4	66.2	0	0	0	110.2	L377 I379 L562 L586 F591 G599 V600 K601	L377-L575 HydrophobicContact CB-CB 4.39Å; L377-L575 HydrophobicContact CB-CD1 3.63Å; L377-L575 HydrophobicContact CD1-CD1 4.25Å; L377-L575 CarbonylContact O-C 3.58Å; L377-L575 VanDerWaalsContact O-CA 3.32Å; L377-L575 WeakPolarHBondContact O-CA 3.43Å; I379-L575 HydrophobicContact CD1-CD1 3.94Å; I379-L575 HydrophobicContact CG1-CD1 4.24Å; L562-L575 HydrophobicContact CD2-CD2 4.25Å; L575-L586 HydrophobicContact CD2-CD1 3.88Å; L575-L586 HydrophobicContact CD2-CD2 3.94Å; L575-F591 HydrophobicContact CB-CE1 3.79Å; L575-F591 HydrophobicContact CB-CZ 4.36Å; L575-G599 PolarHBondContact N-O 3.21Å; L575-V600 HydrophobicContact CB-CG1 4.38Å; L575-V600 HydrophobicContact CB-CG2 4.16Å; L575-V600 HydrophobicContact CD2-CG1 4.11Å; L575-V600 HydrophobicContact CG-CG1 4.34Å; L575-V600 CarbonylContact O-C 3.53Å; L575-V600 VanDerWaalsContact O-CA 3.31Å; L575-V600 WeakPolarHBondContact O-CA 3.24Å; L575-K601 PolarHBondContact O-N 3.32Å
576	S	97	Very high	95	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.4	167	64.2	0	0	0	0	109.6	D375 L377 N378 I379 K601	D375-S576 PolarHBondContact OD2-OG 2.71Å; L377-S576 PolarHBondContact O-N 2.79Å; N378-S576 WeakPolarHBondContact CA-OG 3.44Å; N378-S576 PolarHBondContact ND2-OG 3.32Å; I379-S576 PolarHBondContact N-O 3.17Å; S576-K601 CarbonylContact C-O 3.34Å; S576-K601 WeakPolarHBondContact CA-O 3.41Å
577	L	96.3	Very high	94.9	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.8	-178.8	-169.8	123.9	0	0	0	110.2	I379 L381 V560 P580 I584 K601 I602 L603	I379-L577 HydrophobicContact CB-CG 4.4Å; I379-L577 HydrophobicContact CG2-CG 4.43Å; I379-L577 CarbonylContact O-C 3.46Å; I379-L577 VanDerWaalsContact O-CA 3.3Å; I379-L577 WeakPolarHBondContact O-CA 3.43Å; L381-L577 HydrophobicContact CD1-CD2 4.38Å; V560-L577 HydrophobicContact CB-CD1 4.33Å; V560-L577 HydrophobicContact CG1-CD1 4.36Å; V560-L577 HydrophobicContact CG2-CD1 3.89Å; L577-P580 HydrophobicContact CD2-CB 3.95Å; L577-P580 HydrophobicContact CD2-CG 4.11Å; L577-I584 HydrophobicContact CD1-CD1 4.13Å; L577-I584 HydrophobicContact CD1-CG1 4.03Å; L577-I584 HydrophobicContact CD1-CG2 3.84Å; L577-I584 HydrophobicContact CD2-CB 4.35Å; L577-I584 HydrophobicContact CD2-CD1 3.93Å; L577-I584 HydrophobicContact CD2-CG1 3.6Å; L577-I584 HydrophobicContact CD2-CG2 3.87Å; L577-K601 PolarHBondContact N-O 3.36Å; L577-I602 HydrophobicContact CB-CG1 4.24Å; L577-I602 HydrophobicContact CD2-CD1 4.3Å; L577-I602 HydrophobicContact CD2-CG1 4.18Å; L577-I602 HydrophobicContact CD2-CG2 4.17Å; L577-I602 CarbonylContact O-C 3.56Å; L577-I602 WeakPolarHBondContact O-CA 3.3Å; L577-L603 PolarHBondContact O-N 3.19Å
578	Y	93.6	Very high	94.9	Very high	58.5 Å²	58.5	18.3 Å²	18.3	23%	0.229	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135	-176.6	-60.3	-86.3	0	0	0	112.7	I379 L381 L603	I379-Y578 PolarHBondContact O-N 3.38Å; L381-Y578 PolarHBondContact N-O 3.43Å; Y578-L603 CarbonylContact C-O 3.55Å; Y578-L603 WeakPolarHBondContact CA-O 3.42Å; Y578-L603 HydrophobicContact CD1-CB 4.04Å; Y578-L603 HydrophobicContact CD1-CD2 4.11Å; Y578-L603 HydrophobicContact CD1-CG 4.48Å; Y578-L603 HydrophobicContact CE1-CB 4.23Å; Y578-L603 HydrophobicContact CE1-CD2 3.85Å
579	N	90.5	Very high	95	Very high	28.5 Å²	28.5	17.5 Å²	17.5	15%	0.152	9%	0.088	C	C	.	.			trans	55.1	51.3	172	-61.8	-30.8	0	0	0	115.7	L381 W581 L603	L381-N579 WeakPolarHBondContact CB-O 3.49Å; N579-W581 PolarHBondContact O-NE1 2.89Å; N579-L603 PolarHBondContact N-O 3.15Å
580	P	92.6	Very high	95.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.			trans	-62.9	152.2	172.1	32.3	-38.9	0	0	0	112.6	L381 L577 I584 I602 G604 G605 S606 A607 V628	L381-P580 HydrophobicContact CD1-CB 4.25Å; L577-P580 HydrophobicContact CD2-CB 3.95Å; L577-P580 HydrophobicContact CD2-CG 4.11Å; P580-I584 HydrophobicContact CB-CD1 3.79Å; P580-I584 HydrophobicContact CB-CG1 3.77Å; P580-I602 HydrophobicContact CG-CG2 3.96Å; P580-G604 WeakPolarHBondContact CD-O 3.32Å; P580-G605 CarbonylContact O-C 3.46Å; P580-G605 WeakPolarHBondContact O-CA 3.25Å; P580-S606 PolarHBondContact O-N 3Å; P580-A607 HydrophobicContact CB-CB 3.64Å; P580-A607 HydrophobicContact CG-CB 3.99Å; P580-V628 HydrophobicContact CG-CG1 4.24Å
581	W	89.4	Confident	95.3	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.008	9%	0.091	C	C	.	.			trans	-120.7	-25.2	-173.4	5	18.7	0	0	0	116.6	L381 L382 L452 Q513 G514 E559 N579 S606 R662	L381-W581 HydrophobicContact CB-CE3 4.09Å; L381-W581 HydrophobicContact CB-CH2 4.05Å; L381-W581 HydrophobicContact CB-CZ3 3.7Å; L382-W581 VanDerWaalsContact C-CZ3 3.44Å; L382-W581 WeakPolarHBondContact O-CH2 3.32Å; L382-W581 VanDerWaalsContact O-CZ3 3.27Å; L382-W581 WeakPolarHBondContact O-CZ3 3.46Å; L452-W581 HydrophobicContact CD2-CE3 3.57Å; L452-W581 HydrophobicContact CD2-CH2 4.27Å; L452-W581 HydrophobicContact CD2-CZ2 3.95Å; L452-W581 HydrophobicContact CD2-CZ3 3.3Å; Q513-W581 CarbonylContact C-O 3.54Å; Q513-W581 WeakPolarHBondContact CA-O 3.41Å; G514-W581 PolarHBondContact N-O 3.16Å; E559-W581 WeakPolarHBondContact OE1-CB 3.49Å; E559-W581 PolarHBondContact OE1-NE1 3.29Å; E559-W581 VanDerWaalsContact OE1-NE1 3.13Å; E559-W581 PolarHBondContact OE2-N 2.96Å; E559-W581 VanDerWaalsContact OE2-N 3.08Å; N579-W581 PolarHBondContact O-NE1 2.89Å; W581-S606 CarbonylContact C-O 3.54Å; W581-S606 WeakPolarHBondContact CA-O 3.36Å; W581-R662 VanDerWaalsContact CG-CZ 3.41Å; W581-R662 VanDerWaalsContact CG-NH2 3.27Å
582	A	89.7	Confident	95.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-137.6	-59.9	-177	0	0	0	0	0	113.2	N450 K556 E559 D608	N450-A582 WeakPolarHBondContact OD1-CB 3.33Å; K556-A582 WeakPolarHBondContact CE-O 3.44Å; K556-A582 PolarHBondContact NZ-O 2.96Å; E559-A582 VanDerWaalsContact OE1-CA 3.25Å; E559-A582 WeakPolarHBondContact OE1-CA 3.14Å; E559-A582 WeakPolarHBondContact OE1-CB 3.38Å; E559-A582 PolarHBondContact OE1-N 3.18Å; A582-D608 PolarHBondContact O-N 3.27Å
583	Y	94.2	Very high	95.6	Very high	34 Å²	34	21 Å²	21	13%	0.133	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	131.7	-173.3	-176.6	-138.9	0	0	0	113.8	K556 P558 E559 H585 D608 L610	K556-Y583 HydrophobicContact CB-CD1 4.33Å; K556-Y583 HydrophobicContact CD-CG 4.18Å; K556-Y583 HydrophobicContact CG-CD1 4.13Å; K556-Y583 HydrophobicContact CG-CG 4.17Å; K556-Y583 VanDerWaalsContact O-CD1 3.27Å; K556-Y583 WeakPolarHBondContact O-CD1 3.18Å; K556-Y583 WeakPolarHBondContact O-CE1 3.48Å; P558-Y583 CarbonylContact C-O 3.54Å; P558-Y583 VanDerWaalsContact CA-O 3.28Å; P558-Y583 WeakPolarHBondContact CA-O 3.39Å; P558-Y583 HydrophobicContact CB-CD1 3.56Å; P558-Y583 HydrophobicContact CB-CE1 3.99Å; P558-Y583 HydrophobicContact CB-CG 4.24Å; P558-Y583 HydrophobicContact CG-CD1 4.22Å; P558-Y583 HydrophobicContact CG-CE1 4.36Å; E559-Y583 PolarHBondContact N-O 2.99Å; Y583-H585 HydrophobicContact CE1-CB 4.45Å; Y583-D608 CarbonylContact C-O 3.51Å; Y583-D608 VanDerWaalsContact CA-O 3.3Å; Y583-D608 WeakPolarHBondContact CA-O 3.41Å; Y583-D608 HydrophobicContact CD2-CB 3.83Å; Y583-D608 WeakPolarHBondContact CD2-O 3.39Å; Y583-D608 HydrophobicContact CE2-CB 4.48Å; Y583-L610 HydrophobicContact CE2-CB 3.81Å; Y583-L610 WeakPolarHBondContact OH-CB 3.33Å; Y583-L610 WeakPolarHBondContact OH-CD2 3.41Å
584	I	96.5	Very high	95.6	Very high	0.5 Å²	0.5	20.7 Å²	20.7	0%	0.003	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.2	177.3	-56	-55.3	0	0	0	109.6	E559 V560 L577 P580 L586 A607 D608 I609 L610	E559-I584 HydrophobicContact CB-CD1 4.34Å; V560-I584 HydrophobicContact CB-CD1 3.98Å; V560-I584 HydrophobicContact CG2-CD1 3.93Å; L577-I584 HydrophobicContact CD1-CD1 4.13Å; L577-I584 HydrophobicContact CD1-CG1 4.03Å; L577-I584 HydrophobicContact CD1-CG2 3.84Å; L577-I584 HydrophobicContact CD2-CB 4.35Å; L577-I584 HydrophobicContact CD2-CD1 3.93Å; L577-I584 HydrophobicContact CD2-CG1 3.6Å; L577-I584 HydrophobicContact CD2-CG2 3.87Å; P580-I584 HydrophobicContact CB-CD1 3.79Å; P580-I584 HydrophobicContact CB-CG1 3.77Å; I584-L586 HydrophobicContact CG2-CD2 4.17Å; I584-L586 HydrophobicContact CG2-CG 4.35Å; I584-A607 HydrophobicContact CG1-CB 4.49Å; I584-D608 PolarHBondContact N-O 3.02Å; I584-I609 HydrophobicContact CB-CG1 4.41Å; I584-L610 PolarHBondContact O-N 3.3Å
585	H	96.4	Very high	95.3	Very high	25.5 Å²	25.5	24.8 Å²	24.8	12%	0.118	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	110.3	-177.4	-175.9	176.5	0	0	0	111.1	P558 V560 I561 L562 Y583 E587	P558-H585 HydrophobicContact CB-CB 4.05Å; P558-H585 HydrophobicContact CG-CB 4.43Å; V560-H585 PolarHBondContact O-N 3.17Å; I561-H585 WeakPolarHBondContact CA-O 3.43Å; I561-H585 HydrophobicContact CG1-CB 4.45Å; L562-H585 PolarHBondContact N-O 2.95Å; Y583-H585 HydrophobicContact CE1-CB 4.45Å; H585-E587 IonicContact CE1-OE2 2.85Å; H585-E587 IonicContact NE2-OE2 3.6Å; H585-E587 PolarHBondContact NE2-OE2 3.17Å
586	L	98.1	Very high	94.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.6	172.2	-47	-173.9	0	0	0	109.7	L562 L575 I584 V600 L610 I611 N612 N614	L562-L586 HydrophobicContact CB-CD2 3.65Å; L562-L586 HydrophobicContact CD2-CD2 4.32Å; L562-L586 WeakPolarHBondContact O-CA 3.48Å; L575-L586 HydrophobicContact CD2-CD1 3.88Å; L575-L586 HydrophobicContact CD2-CD2 3.94Å; I584-L586 HydrophobicContact CG2-CD2 4.17Å; I584-L586 HydrophobicContact CG2-CG 4.35Å; L586-V600 HydrophobicContact CD1-CG1 4.05Å; L586-V600 HydrophobicContact CD1-CG2 4.41Å; L586-L610 PolarHBondContact N-O 3.09Å; L586-I611 HydrophobicContact CB-CD1 3.87Å; L586-I611 HydrophobicContact CD1-CD1 3.59Å; L586-I611 HydrophobicContact CG-CD1 3.78Å; L586-I611 WeakPolarHBondContact O-CA 3.37Å; L586-N612 PolarHBondContact O-N 3.11Å; L586-N614 PolarHBondContact O-ND2 2.96Å
587	E	97.7	Very high	94.5	Very high	49 Å²	49	30.7 Å²	30.7	23%	0.229	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	134.5	-176.5	175.2	177.4	-141.2	0	0	113.1	L562 K563 N564 H585 N589 N612	L562-E587 PolarHBondContact O-N 3.08Å; K563-E587 VanDerWaalsContact CA-O 3.23Å; K563-E587 WeakPolarHBondContact CA-O 3.26Å; K563-E587 VanDerWaalsContact CE-OE2 3.22Å; K563-E587 WeakPolarHBondContact CE-OE2 3.39Å; K563-E587 HydrophobicContact CG-CB 4.22Å; K563-E587 IonicContact NZ-OE2 3.15Å; K563-E587 PolarHBondContact NZ-OE2 3.03Å; N564-E587 PolarHBondContact N-O 3.31Å; H585-E587 IonicContact CE1-OE2 2.85Å; H585-E587 IonicContact NE2-OE2 3.6Å; H585-E587 PolarHBondContact NE2-OE2 3.17Å; E587-N589 PolarHBondContact N-ND2 3.21Å; E587-N589 VanDerWaalsContact N-ND2 3.12Å; E587-N589 PolarHBondContact O-N 2.88Å; E587-N589 PolarHBondContact O-ND2 2.93Å; E587-N589 VanDerWaalsContact O-ND2 3.08Å; E587-N589 PolarHBondContact O-OD1 3.1Å; E587-N612 VanDerWaalsContact CA-O 3.23Å; E587-N612 WeakPolarHBondContact CA-O 3.4Å; E587-N612 PolarHBondContact OE1-ND2 3.46Å
588	N	98.3	Very high	94.3	Very high	67 Å²	67	30.7 Å²	30.7	36%	0.358	14%	0.143	S	C	.	.	S	Bend	trans	56.5	44.8	176.7	-112.9	13.8	0	0	0	114.3	N564 N612 N613	N564-N588 CarbonylContact C-O 3.5Å; N564-N588 WeakPolarHBondContact CA-O 3.43Å; N564-N588 PolarHBondContact N-O 3.23Å; N564-N588 VanDerWaalsContact N-O 3.15Å; N564-N588 VanDerWaalsContact OD1-CB 3.3Å; N564-N588 WeakPolarHBondContact OD1-CB 3.13Å; N564-N588 PolarHBondContact OD1-ND2 2.84Å; N588-N612 PolarHBondContact N-O 3.22Å; N588-N612 VanDerWaalsContact N-O 3.11Å; N588-N613 VanDerWaalsContact CA-O 3.24Å; N588-N613 WeakPolarHBondContact CA-O 3.25Å; N588-N613 PolarHBondContact N-O 3.06Å; N588-N613 VanDerWaalsContact OD1-CB 3.32Å; N588-N613 WeakPolarHBondContact OD1-CB 3.39Å; N588-N613 PolarHBondContact OD1-ND2 3.19Å; N588-N613 VanDerWaalsContact OD1-ND2 3.11Å
589	N	98.6	Very high	94.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	13%	0.132	C	C	.	.			trans	-115.9	152.2	179.3	-48.1	-72.7	0	0	0	112.5	L562 K563 N564 S565 E587 F591 N614 Q615	L562-N589 PolarHBondContact O-ND2 3.18Å; K563-N589 WeakPolarHBondContact CA-OD1 3.29Å; N564-N589 PolarHBondContact N-OD1 3.13Å; S565-N589 VanDerWaalsContact CB-OD1 3.26Å; S565-N589 WeakPolarHBondContact CB-OD1 3.35Å; S565-N589 PolarHBondContact N-OD1 3.46Å; S565-N589 CarbonylContact O-C 3.57Å; S565-N589 VanDerWaalsContact O-CA 3.24Å; S565-N589 WeakPolarHBondContact O-CA 3.28Å; S565-N589 WeakPolarHBondContact O-CB 3.31Å; E587-N589 PolarHBondContact N-ND2 3.21Å; E587-N589 VanDerWaalsContact N-ND2 3.12Å; E587-N589 PolarHBondContact O-N 2.88Å; E587-N589 PolarHBondContact O-ND2 2.93Å; E587-N589 VanDerWaalsContact O-ND2 3.08Å; E587-N589 PolarHBondContact O-OD1 3.1Å; N589-F591 HydrophobicContact CB-CD2 4.42Å; N589-F591 HydrophobicContact CB-CE2 3.74Å; N589-F591 HydrophobicContact CB-CZ 4.23Å; N589-N614 VanDerWaalsContact CB-OD1 3.26Å; N589-N614 WeakPolarHBondContact CB-OD1 3.28Å; N589-N614 PolarHBondContact N-OD1 3.15Å; N589-N614 VanDerWaalsContact N-OD1 3.12Å; N589-N614 PolarHBondContact ND2-OD1 2.92Å; N589-N614 CarbonylContact O-C 3.43Å; N589-N614 VanDerWaalsContact O-CA 3.28Å; N589-N614 WeakPolarHBondContact O-CA 3.38Å; N589-Q615 PolarHBondContact O-N 3.12Å
590	T	98.5	Very high	94.8	Very high	31 Å²	31	26.5 Å²	26.5	19%	0.19	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.7	175	-58.7	0	0	0	0	110.2	S565 I567 E592 Q615	S565-T590 PolarHBondContact O-N 3.26Å; I567-T590 PolarHBondContact N-O 2.94Å; T590-E592 HydrophobicContact CG2-CB 4.38Å; T590-Q615 WeakPolarHBondContact CA-O 3.3Å; T590-Q615 HydrophobicContact CG2-CB 4.29Å; T590-Q615 PolarHBondContact OG1-OE1 3.16Å
591	F	98.4	Very high	95	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	103.4	174.8	-62.8	-86.7	0	0	0	109.3	L562 I567 L575 N589 V600 Q615 F616 I617 N619	L562-F591 HydrophobicContact CD2-CE1 4.39Å; L562-F591 HydrophobicContact CD2-CZ 3.77Å; I567-F591 HydrophobicContact CB-CD1 3.93Å; I567-F591 HydrophobicContact CB-CE1 4.14Å; I567-F591 HydrophobicContact CD1-CD1 4.05Å; I567-F591 HydrophobicContact CD1-CE1 3.36Å; I567-F591 HydrophobicContact CD1-CZ 3.99Å; I567-F591 HydrophobicContact CG1-CE1 4.31Å; I567-F591 HydrophobicContact CG2-CD1 4.31Å; I567-F591 HydrophobicContact CG2-CE1 4.49Å; I567-F591 WeakPolarHBondContact O-CA 3.4Å; L575-F591 HydrophobicContact CB-CE1 3.79Å; L575-F591 HydrophobicContact CB-CZ 4.36Å; N589-F591 HydrophobicContact CB-CD2 4.42Å; N589-F591 HydrophobicContact CB-CE2 3.74Å; N589-F591 HydrophobicContact CB-CZ 4.23Å; F591-V600 HydrophobicContact CD1-CG2 3.53Å; F591-V600 VanDerWaalsContact CD1-CG2 3.5Å; F591-V600 HydrophobicContact CD2-CG2 3.66Å; F591-V600 HydrophobicContact CE1-CG2 3.29Å; F591-V600 HydrophobicContact CE2-CG2 3.43Å; F591-V600 VanDerWaalsContact CE2-CG2 3.43Å; F591-V600 HydrophobicContact CG-CG2 3.7Å; F591-V600 HydrophobicContact CZ-CG2 3.24Å; F591-Q615 PolarHBondContact N-O 3.14Å; F591-F616 HydrophobicContact CB-CD1 3.97Å; F591-F616 HydrophobicContact CB-CE1 4.44Å; F591-F616 AromaticContact CD2-CD1 3.94Å; F591-F616 HydrophobicContact CD2-CD1 3.94Å; F591-F616 AromaticContact CD2-CE1 3.61Å; F591-F616 HydrophobicContact CD2-CE1 3.61Å; F591-F616 HydrophobicContact CD2-CZ 4.25Å; F591-F616 HydrophobicContact CE2-CE1 4.15Å; F591-F616 HydrophobicContact CG-CD1 4.24Å; F591-F616 HydrophobicContact CG-CE1 4.2Å; F591-F616 WeakPolarHBondContact O-CA 3.36Å; F591-I617 PolarHBondContact O-N 3.15Å; F591-N619 PolarHBondContact O-ND2 3.15Å; F591-N619 VanDerWaalsContact O-ND2 3.1Å
592	E	97.4	Very high	95.3	Very high	46 Å²	46	27.4 Å²	27.4	22%	0.215	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.2	-172.3	179.9	170.5	-162.7	0	0	113.1	I567 S568 G569 T590 N594 I617 R618	I567-E592 PolarHBondContact O-N 3.01Å; I567-E592 VanDerWaalsContact O-N 3.07Å; S568-E592 CarbonylContact C-O 3.49Å; S568-E592 WeakPolarHBondContact CA-O 3.43Å; S568-E592 PolarHBondContact OG-O 3.15Å; G569-E592 PolarHBondContact N-O 3.25Å; T590-E592 HydrophobicContact CG2-CB 4.38Å; E592-N594 PolarHBondContact N-ND2 2.72Å; E592-N594 PolarHBondContact O-N 3.16Å; E592-N594 PolarHBondContact O-ND2 3.18Å; E592-I617 CarbonylContact C-O 3.56Å; E592-I617 WeakPolarHBondContact CA-O 3.41Å; E592-I617 HydrophobicContact CB-CB 4.38Å; E592-I617 HydrophobicContact CG-CB 4.24Å; E592-I617 HydrophobicContact CG-CG2 4.31Å; E592-R618 IonicContact OE1-NH1 3.56Å; E592-R618 PolarHBondContact OE1-NH1 3.13Å
593	Q	94.6	Very high	95.4	Very high	89 Å²	89	29.9 Å²	29.9	42%	0.416	14%	0.141	S	C	.	.			trans	54.6	27.8	168	-68.7	172.4	9.1	0	0	115.3	G569 I617 R618	G569-Q593 WeakPolarHBondContact CA-O 3.4Å; Q593-I617 PolarHBondContact N-O 2.88Å; Q593-R618 VanDerWaalsContact CA-O 3.3Å; Q593-R618 WeakPolarHBondContact CA-O 3.45Å; Q593-R618 HydrophobicContact CG-CB 3.92Å
594	N	95.3	Very high	95	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.137	C	C	.	.			trans	-77.2	134.9	174.6	-57.6	-75.9	0	0	0	109.6	I567 N570 G574 E592 N619 Q620	I567-N594 PolarHBondContact O-ND2 3.11Å; I567-N594 VanDerWaalsContact O-ND2 3.14Å; N570-N594 PolarHBondContact N-OD1 3.31Å; N570-N594 PolarHBondContact ND2-OD1 2.94Å; N570-N594 WeakPolarHBondContact O-CA 3.28Å; G574-N594 VanDerWaalsContact CA-CG 3.48Å; G574-N594 WeakPolarHBondContact CA-OD1 3.44Å; E592-N594 PolarHBondContact N-ND2 2.72Å; E592-N594 PolarHBondContact O-N 3.16Å; E592-N594 PolarHBondContact O-ND2 3.18Å; N594-N619 WeakPolarHBondContact CB-OD1 3.44Å; N594-N619 PolarHBondContact N-OD1 2.53Å; N594-N619 PolarHBondContact ND2-OD1 3.13Å; N594-Q620 PolarHBondContact O-N 3.1Å
595	Q	90.1	Very high	94.4	Very high	85 Å²	85	28.5 Å²	28.5	40%	0.397	14%	0.138	S	C	.	.			trans	-97.3	4	-156.2	-60.3	-177	-10.6	0	0	115	R134 N570 Q572 Q620	R134-Q595 VanDerWaalsContact NH1-C 3.28Å; R134-Q595 PolarHBondContact NH1-O 2.88Å; R134-Q595 PolarHBondContact NH2-O 2.84Å; R134-Q595 VanDerWaalsContact NH2-O 3.14Å; N570-Q595 WeakPolarHBondContact O-CG 3.45Å; N570-Q595 PolarHBondContact O-N 3.22Å; Q572-Q595 PolarHBondContact O-N 2.84Å; Q595-Q620 VanDerWaalsContact O-CB 3.26Å; Q595-Q620 WeakPolarHBondContact O-CB 3.4Å; Q595-Q620 VanDerWaalsContact O-CG 3.26Å; Q595-Q620 WeakPolarHBondContact O-CG 3.35Å
596	Y	89.7	Confident	94	Very high	76.5 Å²	76.5	27.3 Å²	27.3	30%	0.3	13%	0.132	S	C	.	.	S	Bend	trans	-127.9	175.8	-177.7	-169.3	-112.2	0	0	0	112.6	V136 N137 Q572 H573 A598	V136-Y596 HydrophobicContact CB-CD1 4.49Å; V136-Y596 HydrophobicContact CB-CD2 4.05Å; V136-Y596 HydrophobicContact CB-CE1 4.05Å; V136-Y596 HydrophobicContact CB-CE2 3.55Å; V136-Y596 HydrophobicContact CB-CG 4.48Å; V136-Y596 HydrophobicContact CG1-CD1 4.38Å; V136-Y596 HydrophobicContact CG1-CD2 3.68Å; V136-Y596 HydrophobicContact CG1-CE1 4.42Å; V136-Y596 HydrophobicContact CG1-CE2 3.73Å; V136-Y596 HydrophobicContact CG1-CG 4.01Å; V136-Y596 HydrophobicContact CG2-CD2 4.37Å; V136-Y596 HydrophobicContact CG2-CE2 3.6Å; N137-Y596 PolarHBondContact ND2-OH 2.96Å; N137-Y596 PolarHBondContact OD1-OH 3.2Å; Q572-Y596 VanDerWaalsContact CA-CB 3.48Å; Q572-Y596 PolarHBondContact O-N 2.81Å; Q572-Y596 VanDerWaalsContact O-N 3.12Å; H573-Y596 PolarHBondContact CD2-O 2.9Å; H573-Y596 AromaticContact CE1-CD1 3.36Å; H573-Y596 WeakPolarHBondContact CE1-CD1 3.33Å; H573-Y596 AromaticContact CE1-CE1 3.65Å; H573-Y596 AromaticContact ND1-CD1 3.96Å; H573-Y596 AromaticContact NE2-CD1 3.52Å; H573-Y596 AromaticContact NE2-CE1 3.75Å; Y596-A598 PolarHBondContact O-N 3.04Å
597	E	88	Confident	93.5	Very high	50 Å²	50	27.3 Å²	27.3	23%	0.234	13%	0.132	C	C	.	.	S	Bend	trans	-8.6	-48.6	-178.7	-162.5	-166.5	154.8	0	0	115.5	H573 K601 N621 A622 N625	H573-E597 IonicContact NE2-OE2 3.2Å; H573-E597 PolarHBondContact NE2-OE2 3.49Å; E597-K601 WeakPolarHBondContact OE1-CD 2.88Å; E597-K601 WeakPolarHBondContact OE1-CE 3.26Å; E597-K601 IonicContact OE1-NZ 2.82Å; E597-K601 PolarHBondContact OE1-NZ 2.9Å; E597-K601 WeakPolarHBondContact OE2-CD 3.4Å; E597-K601 WeakPolarHBondContact OE2-CE 3.24Å; E597-K601 IonicContact OE2-NZ 3.08Å; E597-K601 PolarHBondContact OE2-NZ 3.46Å; E597-N621 VanDerWaalsContact O-CB 3.29Å; E597-N621 WeakPolarHBondContact O-CB 3.49Å; E597-N621 PolarHBondContact O-ND2 3.49Å; E597-A622 PolarHBondContact O-N 2.9Å; E597-N625 PolarHBondContact OE1-ND2 3.15Å; E597-N625 VanDerWaalsContact OE1-ND2 3.07Å
598	A	93.4	Very high	93.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	151.8	178.9	0	0	0	0	0	113.5	H573 Y596 V600 K601 A622 N625	H573-A598 WeakPolarHBondContact CA-O 3.39Å; H573-A598 WeakPolarHBondContact CB-O 3.19Å; H573-A598 PolarHBondContact CD2-O 2.88Å; Y596-A598 PolarHBondContact O-N 3.04Å; A598-V600 VanDerWaalsContact C-N 3.33Å; A598-V600 WeakPolarHBondContact CB-O 3.29Å; A598-K601 HydrophobicContact CB-CB 4.27Å; A598-A622 CarbonylContact C-O 3.55Å; A598-A622 WeakPolarHBondContact CA-O 3.29Å; A598-A622 HydrophobicContact CB-CB 3.95Å; A598-N625 HydrophobicContact CB-CB 3.8Å
599	G	96	Very high	93.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	-47.6	164.2	0	0	0	0	0	110.9	G574 L575 N619 A622 G623	G574-G599 CarbonylContact C-O 3.53Å; G574-G599 WeakPolarHBondContact CA-O 3.23Å; G574-G599 PolarHBondContact N-O 3.05Å; L575-G599 PolarHBondContact N-O 3.21Å; G599-N619 WeakPolarHBondContact CA-OD1 3.21Å; G599-A622 PolarHBondContact N-O 2.99Å; G599-G623 CarbonylContact C-O 3.52Å; G599-G623 VanDerWaalsContact CA-O 3.31Å; G599-G623 WeakPolarHBondContact CA-O 3.18Å; G599-G623 PolarHBondContact N-O 3.07Å; G599-G623 VanDerWaalsContact N-O 3.12Å
600	V	98.3	Very high	93.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.8	169.9	177.4	0	0	0	0	110.1	L575 L586 F591 A598 I602 F616 G623 L624 N625	L575-V600 HydrophobicContact CB-CG1 4.38Å; L575-V600 HydrophobicContact CB-CG2 4.16Å; L575-V600 HydrophobicContact CD2-CG1 4.11Å; L575-V600 HydrophobicContact CG-CG1 4.34Å; L575-V600 CarbonylContact O-C 3.53Å; L575-V600 VanDerWaalsContact O-CA 3.31Å; L575-V600 WeakPolarHBondContact O-CA 3.24Å; L586-V600 HydrophobicContact CD1-CG1 4.05Å; L586-V600 HydrophobicContact CD1-CG2 4.41Å; F591-V600 HydrophobicContact CD1-CG2 3.53Å; F591-V600 VanDerWaalsContact CD1-CG2 3.5Å; F591-V600 HydrophobicContact CD2-CG2 3.66Å; F591-V600 HydrophobicContact CE1-CG2 3.29Å; F591-V600 HydrophobicContact CE2-CG2 3.43Å; F591-V600 VanDerWaalsContact CE2-CG2 3.43Å; F591-V600 HydrophobicContact CG-CG2 3.7Å; F591-V600 HydrophobicContact CZ-CG2 3.24Å; A598-V600 VanDerWaalsContact C-N 3.33Å; A598-V600 WeakPolarHBondContact CB-O 3.29Å; V600-I602 HydrophobicContact CG1-CD1 4.42Å; V600-I602 HydrophobicContact CG1-CG1 4.11Å; V600-F616 HydrophobicContact CB-CE1 4.02Å; V600-F616 HydrophobicContact CG2-CD1 4.39Å; V600-F616 HydrophobicContact CG2-CE1 3.6Å; V600-F616 HydrophobicContact CG2-CZ 4.45Å; V600-G623 PolarHBondContact N-O 2.95Å; V600-L624 HydrophobicContact CB-CD1 3.66Å; V600-L624 HydrophobicContact CG1-CD1 3.63Å; V600-L624 WeakPolarHBondContact O-CA 3.43Å; V600-N625 PolarHBondContact O-N 3.06Å
601	K	96.2	Very high	93	Very high	19.6667 Å²	19.6667	23 Å²	23	9%	0.086	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.7	173.5	-177.6	140.8	175.4	174.3	0	110.1	H573 L575 S576 L577 E597 A598 L603 N625 S627	H573-K601 WeakPolarHBondContact NE2-CD 3.33Å; L575-K601 PolarHBondContact O-N 3.32Å; S576-K601 CarbonylContact C-O 3.34Å; S576-K601 WeakPolarHBondContact CA-O 3.41Å; L577-K601 PolarHBondContact N-O 3.36Å; E597-K601 WeakPolarHBondContact OE1-CD 2.88Å; E597-K601 WeakPolarHBondContact OE1-CE 3.26Å; E597-K601 IonicContact OE1-NZ 2.82Å; E597-K601 PolarHBondContact OE1-NZ 2.9Å; E597-K601 WeakPolarHBondContact OE2-CD 3.4Å; E597-K601 WeakPolarHBondContact OE2-CE 3.24Å; E597-K601 IonicContact OE2-NZ 3.08Å; E597-K601 PolarHBondContact OE2-NZ 3.46Å; A598-K601 HydrophobicContact CB-CB 4.27Å; K601-L603 HydrophobicContact CG-CB 4.5Å; K601-N625 CarbonylContact C-O 3.59Å; K601-N625 WeakPolarHBondContact CA-O 3.4Å; K601-N625 HydrophobicContact CD-CB 3.77Å; K601-N625 VanDerWaalsContact NZ-CG 3.27Å; K601-N625 PolarHBondContact NZ-ND2 3.08Å; K601-N625 PolarHBondContact NZ-OD1 2.88Å; K601-S627 PolarHBondContact NZ-OG 3.05Å
602	I	95.2	Very high	93	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.8	171.9	-54.3	179	0	0	0	107.4	L577 P580 V600 I609 N625 I626 S627 V628	L577-I602 HydrophobicContact CB-CG1 4.24Å; L577-I602 HydrophobicContact CD2-CD1 4.3Å; L577-I602 HydrophobicContact CD2-CG1 4.18Å; L577-I602 HydrophobicContact CD2-CG2 4.17Å; L577-I602 CarbonylContact O-C 3.56Å; L577-I602 WeakPolarHBondContact O-CA 3.3Å; P580-I602 HydrophobicContact CG-CG2 3.96Å; V600-I602 HydrophobicContact CG1-CD1 4.42Å; V600-I602 HydrophobicContact CG1-CG1 4.11Å; I602-I609 HydrophobicContact CD1-CD1 3.96Å; I602-I609 HydrophobicContact CD1-CG1 4.41Å; I602-I609 HydrophobicContact CD1-CG2 3.94Å; I602-I609 HydrophobicContact CG2-CD1 4.15Å; I602-N625 PolarHBondContact N-O 3.07Å; I602-I626 HydrophobicContact CD1-CG1 4.38Å; I602-S627 WeakPolarHBondContact O-CA 3.42Å; I602-S627 PolarHBondContact O-N 3.23Å; I602-V628 HydrophobicContact CB-CG1 4.37Å; I602-V628 HydrophobicContact CG2-CG1 3.66Å
603	L	91.3	Very high	93	Very high	52 Å²	52	25.9 Å²	25.9	27%	0.272	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.6	-172.6	-175.6	67.3	0	0	0	112.5	L577 Y578 N579 K601 S627 W651 L653	L577-L603 PolarHBondContact O-N 3.19Å; Y578-L603 CarbonylContact C-O 3.55Å; Y578-L603 WeakPolarHBondContact CA-O 3.42Å; Y578-L603 HydrophobicContact CD1-CB 4.04Å; Y578-L603 HydrophobicContact CD1-CD2 4.11Å; Y578-L603 HydrophobicContact CD1-CG 4.48Å; Y578-L603 HydrophobicContact CE1-CB 4.23Å; Y578-L603 HydrophobicContact CE1-CD2 3.85Å; N579-L603 PolarHBondContact N-O 3.15Å; K601-L603 HydrophobicContact CG-CB 4.5Å; L603-S627 CarbonylContact C-O 3.52Å; L603-S627 WeakPolarHBondContact CA-O 3.35Å; L603-W651 HydrophobicContact CD1-CH2 4.48Å; L603-W651 HydrophobicContact CD1-CZ2 4.29Å; L603-L653 HydrophobicContact CD1-CD1 4.33Å
604	G	85.8	Confident	93.2	Very high	4 Å²	4	21.7 Å²	21.7	4%	0.041	11%	0.107	C	C	.	.	S	Bend	trans	72.9	-175.3	177.5	0	0	0	0	0	113.4	P580 S627 V628	P580-G604 WeakPolarHBondContact CD-O 3.32Å; G604-S627 PolarHBondContact N-O 2.92Å; G604-V628 WeakPolarHBondContact O-CB 3.09Å; G604-V628 VanDerWaalsContact O-CG1 3.29Å; G604-V628 WeakPolarHBondContact O-CG1 3.37Å
605	G	84.6	Confident	93.3	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.021	12%	0.124	C	C	.	.	S	Bend	trans	68	-166.5	179.8	0	0	0	0	0	114.3	P580 N629 G630	P580-G605 CarbonylContact O-C 3.46Å; P580-G605 WeakPolarHBondContact O-CA 3.25Å; G605-N629 PolarHBondContact N-OD1 2.87Å; G605-N629 WeakPolarHBondContact O-CA 3.35Å; G605-N629 VanDerWaalsContact O-CB 3.31Å; G605-N629 WeakPolarHBondContact O-CB 3.34Å; G605-N629 PolarHBondContact O-N 3.21Å; G605-N629 PolarHBondContact O-OD1 2.92Å; G605-G630 PolarHBondContact O-N 2.97Å
606	S	87.4	Confident	93.7	Very high	0.333333 Å²	0.333333	21.4 Å²	21.4	0%	0.002	11%	0.105	C	C	.	.			trans	-152	87.1	-177.3	155.4	0	0	0	0	110.5	Q513 P580 W581 G630 G631 P664	Q513-S606 WeakPolarHBondContact CB-OG 3.41Å; Q513-S606 WeakPolarHBondContact CG-O 3.35Å; Q513-S606 PolarHBondContact OE1-OG 3.33Å; P580-S606 PolarHBondContact O-N 3Å; W581-S606 CarbonylContact C-O 3.54Å; W581-S606 WeakPolarHBondContact CA-O 3.36Å; S606-G630 WeakPolarHBondContact OG-CA 3.34Å; S606-G630 PolarHBondContact OG-N 2.9Å; S606-G631 WeakPolarHBondContact O-CA 3.31Å; S606-G631 PolarHBondContact O-N 3.21Å; S606-P664 WeakPolarHBondContact OG-CA 3.41Å; S606-P664 WeakPolarHBondContact OG-CB 3.28Å
607	A	89.1	Confident	94.1	Very high	0.333333 Å²	0.333333	18.8 Å²	18.8	0%	0.003	10%	0.096	C	C	.	.			trans	-128.4	152.2	-178	0	0	0	0	0	111.4	P580 I584 G631	P580-A607 HydrophobicContact CB-CB 3.64Å; P580-A607 HydrophobicContact CG-CB 3.99Å; I584-A607 HydrophobicContact CG1-CB 4.49Å; A607-G631 VanDerWaalsContact O-CA 3.23Å; A607-G631 WeakPolarHBondContact O-CA 3.4Å
608	D	92.6	Very high	94.4	Very high	31 Å²	31	21.2 Å²	21.2	17%	0.166	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	144.4	165.5	-56	-35.5	0	0	0	108.9	Q513 K556 A582 Y583 I584 G631 F632	Q513-D608 PolarHBondContact NE2-OD1 3.08Å; K556-D608 WeakPolarHBondContact CD-OD2 3.38Å; K556-D608 WeakPolarHBondContact CE-OD2 3.36Å; K556-D608 IonicContact NZ-OD2 3.57Å; K556-D608 PolarHBondContact NZ-OD2 3.14Å; A582-D608 PolarHBondContact O-N 3.27Å; Y583-D608 CarbonylContact C-O 3.51Å; Y583-D608 VanDerWaalsContact CA-O 3.3Å; Y583-D608 WeakPolarHBondContact CA-O 3.41Å; Y583-D608 HydrophobicContact CD2-CB 3.83Å; Y583-D608 WeakPolarHBondContact CD2-O 3.39Å; Y583-D608 HydrophobicContact CE2-CB 4.48Å; I584-D608 PolarHBondContact N-O 3.02Å; D608-G631 WeakPolarHBondContact OD1-CA 3.31Å; D608-F632 CarbonylContact C-O 3.44Å; D608-F632 VanDerWaalsContact CA-O 3.28Å; D608-F632 WeakPolarHBondContact CA-O 3.29Å; D608-F632 HydrophobicContact CB-CB 4.46Å; D608-F632 PolarHBondContact OD1-N 3.06Å
609	I	95.3	Very high	94.5	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	115.5	-173.3	-59.4	169.9	0	0	0	108.1	I584 I602 I611 I626 V628 F632 K633 Q634	I584-I609 HydrophobicContact CB-CG1 4.41Å; I602-I609 HydrophobicContact CD1-CD1 3.96Å; I602-I609 HydrophobicContact CD1-CG1 4.41Å; I602-I609 HydrophobicContact CD1-CG2 3.94Å; I602-I609 HydrophobicContact CG2-CD1 4.15Å; I609-I611 HydrophobicContact CG2-CD1 3.76Å; I609-I611 HydrophobicContact CG2-CG1 3.91Å; I609-I626 HydrophobicContact CD1-CD1 4.3Å; I609-I626 HydrophobicContact CD1-CG1 4.49Å; I609-I626 HydrophobicContact CD1-CG2 3.55Å; I609-I626 HydrophobicContact CG2-CD1 4.22Å; I609-V628 HydrophobicContact CD1-CG1 4.29Å; I609-V628 HydrophobicContact CD1-CG2 4.14Å; I609-F632 PolarHBondContact N-O 3.2Å; I609-K633 HydrophobicContact CD1-CG 4.44Å; I609-K633 CarbonylContact O-C 3.54Å; I609-K633 WeakPolarHBondContact O-CA 3.03Å; I609-Q634 PolarHBondContact O-N 3.08Å
610	L	96.5	Very high	94.1	Very high	25 Å²	25	24.8 Å²	24.8	13%	0.131	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.8	171.3	177.7	64.2	0	0	0	110	Y583 I584 L586 N612 Q634	Y583-L610 HydrophobicContact CE2-CB 3.81Å; Y583-L610 WeakPolarHBondContact OH-CB 3.33Å; Y583-L610 WeakPolarHBondContact OH-CD2 3.41Å; I584-L610 PolarHBondContact O-N 3.3Å; L586-L610 PolarHBondContact N-O 3.09Å; L610-N612 HydrophobicContact CD1-CB 4.4Å; L610-N612 HydrophobicContact CG-CB 4.42Å; L610-Q634 WeakPolarHBondContact CA-O 3.21Å; L610-Q634 HydrophobicContact CD1-CB 4.04Å; L610-Q634 HydrophobicContact CD1-CG 3.92Å
611	I	97.4	Very high	93.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	102	173.5	-50.6	-63.2	0	0	0	107	L586 I609 N614 F616 L624 Q634 I635 N636 S638	L586-I611 HydrophobicContact CB-CD1 3.87Å; L586-I611 HydrophobicContact CD1-CD1 3.59Å; L586-I611 HydrophobicContact CG-CD1 3.78Å; L586-I611 WeakPolarHBondContact O-CA 3.37Å; I609-I611 HydrophobicContact CG2-CD1 3.76Å; I609-I611 HydrophobicContact CG2-CG1 3.91Å; I611-N614 HydrophobicContact CG2-CB 4.13Å; I611-N614 VanDerWaalsContact CG2-ND2 3.3Å; I611-N614 WeakPolarHBondContact CG2-ND2 3.16Å; I611-F616 HydrophobicContact CG2-CE2 4.12Å; I611-F616 HydrophobicContact CG2-CZ 4.11Å; I611-L624 HydrophobicContact CD1-CD2 4.34Å; I611-L624 HydrophobicContact CG1-CD2 3.9Å; I611-L624 HydrophobicContact CG2-CD2 4.25Å; I611-Q634 PolarHBondContact N-O 2.97Å; I611-I635 HydrophobicContact CB-CB 4.43Å; I611-I635 HydrophobicContact CB-CG1 4.22Å; I611-I635 HydrophobicContact CB-CG2 4.39Å; I611-I635 HydrophobicContact CG1-CG1 4.2Å; I611-I635 HydrophobicContact CG2-CG2 4.39Å; I611-N636 PolarHBondContact O-N 3.01Å; I611-N636 VanDerWaalsContact O-O 3.11Å; I611-N636 PolarHBondContact O-OD1 3.33Å; I611-S638 PolarHBondContact O-OG 2.83Å
612	N	97.4	Very high	93.5	Very high	40.3333 Å²	40.3333	26.9 Å²	26.9	22%	0.216	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.6	-177.3	-172.4	33.2	0	0	0	111.9	L586 E587 N588 L610 N614 N636 N637	L586-N612 PolarHBondContact O-N 3.11Å; E587-N612 VanDerWaalsContact CA-O 3.23Å; E587-N612 WeakPolarHBondContact CA-O 3.4Å; E587-N612 PolarHBondContact OE1-ND2 3.46Å; N588-N612 PolarHBondContact N-O 3.22Å; N588-N612 VanDerWaalsContact N-O 3.11Å; L610-N612 HydrophobicContact CD1-CB 4.4Å; L610-N612 HydrophobicContact CG-CB 4.42Å; N612-N614 VanDerWaalsContact C-N 3.3Å; N612-N614 PolarHBondContact N-ND2 2.98Å; N612-N614 VanDerWaalsContact N-ND2 3.14Å; N612-N614 PolarHBondContact O-N 3.03Å; N612-N614 PolarHBondContact O-ND2 3Å; N612-N636 WeakPolarHBondContact CA-O 3.29Å; N612-N636 PolarHBondContact OD1-ND2 2.88Å; N612-N637 PolarHBondContact OD1-ND2 3.43Å
613	N	97.9	Very high	93.5	Very high	66.3333 Å²	66.3333	26.9 Å²	26.9	36%	0.355	13%	0.132	S	C	.	.	S	Bend	trans	56.3	39.1	174.6	-162.2	46.5	0	0	0	114.4	N588 N636 N637 S638	N588-N613 VanDerWaalsContact CA-O 3.24Å; N588-N613 WeakPolarHBondContact CA-O 3.25Å; N588-N613 PolarHBondContact N-O 3.06Å; N588-N613 VanDerWaalsContact OD1-CB 3.32Å; N588-N613 WeakPolarHBondContact OD1-CB 3.39Å; N588-N613 PolarHBondContact OD1-ND2 3.19Å; N588-N613 VanDerWaalsContact OD1-ND2 3.11Å; N613-N636 PolarHBondContact N-O 3.04Å; N613-N637 VanDerWaalsContact CA-O 3.29Å; N613-N637 WeakPolarHBondContact CA-O 3.28Å; N613-N637 HydrophobicContact CB-CB 4.26Å; N613-N637 PolarHBondContact OD1-ND2 2.95Å; N613-S638 PolarHBondContact N-OG 2.85Å
614	N	98.4	Very high	93.8	Very high	0.333333 Å²	0.333333	24.4 Å²	24.4	0%	0.002	12%	0.119	C	C	.	.			trans	-100.9	155.6	178.8	-61.6	-87.1	0	0	0	111.5	L586 N589 I611 N612 F616 S638 L639	L586-N614 PolarHBondContact O-ND2 2.96Å; N589-N614 VanDerWaalsContact CB-OD1 3.26Å; N589-N614 WeakPolarHBondContact CB-OD1 3.28Å; N589-N614 PolarHBondContact N-OD1 3.15Å; N589-N614 VanDerWaalsContact N-OD1 3.12Å; N589-N614 PolarHBondContact ND2-OD1 2.92Å; N589-N614 CarbonylContact O-C 3.43Å; N589-N614 VanDerWaalsContact O-CA 3.28Å; N589-N614 WeakPolarHBondContact O-CA 3.38Å; I611-N614 HydrophobicContact CG2-CB 4.13Å; I611-N614 VanDerWaalsContact CG2-ND2 3.3Å; I611-N614 WeakPolarHBondContact CG2-ND2 3.16Å; N612-N614 VanDerWaalsContact C-N 3.3Å; N612-N614 PolarHBondContact N-ND2 2.98Å; N612-N614 VanDerWaalsContact N-ND2 3.14Å; N612-N614 PolarHBondContact O-N 3.03Å; N612-N614 PolarHBondContact O-ND2 3Å; N614-F616 HydrophobicContact CB-CE2 3.74Å; N614-F616 HydrophobicContact CB-CZ 4.02Å; N614-S638 PolarHBondContact N-OG 2.92Å; N614-S638 VanDerWaalsContact N-OG 3.09Å; N614-S638 CarbonylContact O-C 3.54Å; N614-S638 VanDerWaalsContact O-CA 3.25Å; N614-S638 WeakPolarHBondContact O-CA 3.36Å; N614-S638 VanDerWaalsContact O-CB 3.29Å; N614-S638 WeakPolarHBondContact O-CB 3.2Å; N614-L639 PolarHBondContact O-N 3.34Å
615	Q	98.4	Very high	94.3	Very high	78.6667 Å²	78.6667	24.8 Å²	24.8	37%	0.368	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.4	178	-58.7	-177.7	-6.4	0	0	110.4	N589 T590 F591 I617 L639	N589-Q615 PolarHBondContact O-N 3.12Å; T590-Q615 WeakPolarHBondContact CA-O 3.3Å; T590-Q615 HydrophobicContact CG2-CB 4.29Å; T590-Q615 PolarHBondContact OG1-OE1 3.16Å; F591-Q615 PolarHBondContact N-O 3.14Å; Q615-I617 HydrophobicContact CB-CD1 4.18Å; Q615-I617 HydrophobicContact CB-CG1 4.36Å; Q615-L639 CarbonylContact C-O 3.58Å; Q615-L639 WeakPolarHBondContact CA-O 3.36Å; Q615-L639 HydrophobicContact CG-CB 4.33Å
616	F	98.3	Very high	94.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	101.7	178.6	-57.5	-90.1	0	0	0	109	F591 V600 I611 N614 G623 L624 L639 F640 H641 N643	F591-F616 HydrophobicContact CB-CD1 3.97Å; F591-F616 HydrophobicContact CB-CE1 4.44Å; F591-F616 AromaticContact CD2-CD1 3.94Å; F591-F616 HydrophobicContact CD2-CD1 3.94Å; F591-F616 AromaticContact CD2-CE1 3.61Å; F591-F616 HydrophobicContact CD2-CE1 3.61Å; F591-F616 HydrophobicContact CD2-CZ 4.25Å; F591-F616 HydrophobicContact CE2-CE1 4.15Å; F591-F616 HydrophobicContact CG-CD1 4.24Å; F591-F616 HydrophobicContact CG-CE1 4.2Å; F591-F616 WeakPolarHBondContact O-CA 3.36Å; V600-F616 HydrophobicContact CB-CE1 4.02Å; V600-F616 HydrophobicContact CG2-CD1 4.39Å; V600-F616 HydrophobicContact CG2-CE1 3.6Å; V600-F616 HydrophobicContact CG2-CZ 4.45Å; I611-F616 HydrophobicContact CG2-CE2 4.12Å; I611-F616 HydrophobicContact CG2-CZ 4.11Å; N614-F616 HydrophobicContact CB-CE2 3.74Å; N614-F616 HydrophobicContact CB-CZ 4.02Å; F616-G623 VanDerWaalsContact CD1-C 3.49Å; F616-G623 VanDerWaalsContact CD1-O 3.26Å; F616-G623 WeakPolarHBondContact CD1-O 3.38Å; F616-L624 HydrophobicContact CD1-CB 4.33Å; F616-L624 HydrophobicContact CE1-CB 3.93Å; F616-L624 HydrophobicContact CE1-CD1 4.47Å; F616-L624 HydrophobicContact CE2-CB 4.46Å; F616-L624 HydrophobicContact CE2-CD2 4.48Å; F616-L624 HydrophobicContact CZ-CB 4.03Å; F616-L624 HydrophobicContact CZ-CD1 4.49Å; F616-L624 HydrophobicContact CZ-CD2 4.09Å; F616-L624 HydrophobicContact CZ-CG 4.45Å; F616-L639 PolarHBondContact N-O 3.17Å; F616-F640 HydrophobicContact CB-CD1 3.77Å; F616-F640 HydrophobicContact CB-CE1 4.12Å; F616-F640 HydrophobicContact CD1-CE1 4.46Å; F616-F640 AromaticContact CD2-CD1 3.61Å; F616-F640 HydrophobicContact CD2-CD1 3.61Å; F616-F640 AromaticContact CD2-CE1 3.19Å; F616-F640 HydrophobicContact CD2-CE1 3.19Å; F616-F640 HydrophobicContact CD2-CE2 4.27Å; F616-F640 HydrophobicContact CD2-CG 4.3Å; F616-F640 AromaticContact CD2-CZ 3.57Å; F616-F640 HydrophobicContact CD2-CZ 3.57Å; F616-F640 HydrophobicContact CE2-CD1 4.44Å; F616-F640 AromaticContact CE2-CE1 3.61Å; F616-F640 HydrophobicContact CE2-CE1 3.61Å; F616-F640 HydrophobicContact CE2-CE2 4.46Å; F616-F640 AromaticContact CE2-CZ 3.62Å; F616-F640 HydrophobicContact CE2-CZ 3.62Å; F616-F640 AromaticContact CG-CD1 3.89Å; F616-F640 HydrophobicContact CG-CD1 3.89Å; F616-F640 AromaticContact CG-CE1 3.7Å; F616-F640 HydrophobicContact CG-CE1 3.7Å; F616-F640 HydrophobicContact CG-CZ 4.47Å; F616-F640 HydrophobicContact CZ-CE1 4.4Å; F616-H641 PolarHBondContact O-N 3.03Å; F616-N643 PolarHBondContact O-ND2 3.13Å; F616-N643 PolarHBondContact O-OD1 2.71Å
617	I	97.9	Very high	95	Very high	22 Å²	22	24.7 Å²	24.7	11%	0.113	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.6	-166	-57.3	174.7	0	0	0	110.6	F591 E592 Q593 Q615 N619 H641	F591-I617 PolarHBondContact O-N 3.15Å; E592-I617 CarbonylContact C-O 3.56Å; E592-I617 WeakPolarHBondContact CA-O 3.41Å; E592-I617 HydrophobicContact CB-CB 4.38Å; E592-I617 HydrophobicContact CG-CB 4.24Å; E592-I617 HydrophobicContact CG-CG2 4.31Å; Q593-I617 PolarHBondContact N-O 2.88Å; Q615-I617 HydrophobicContact CB-CD1 4.18Å; Q615-I617 HydrophobicContact CB-CG1 4.36Å; I617-N619 PolarHBondContact N-ND2 3Å; I617-N619 VanDerWaalsContact N-ND2 3.2Å; I617-N619 PolarHBondContact O-N 3.06Å; I617-N619 VanDerWaalsContact O-N 3.08Å; I617-N619 PolarHBondContact O-ND2 3.24Å; I617-H641 VanDerWaalsContact CA-O 3.31Å; I617-H641 WeakPolarHBondContact CA-O 3.35Å; I617-H641 HydrophobicContact CG1-CB 4.48Å
618	R	95.4	Very high	95	Very high	100.667 Å²	100.667	24.8 Å²	24.8	38%	0.38	12%	0.12	S	C	.	.	S	Bend	trans	53.7	29.7	170.1	-64.4	173.8	-177.4	142.4	-4.6	115.8	E592 Q593 H641 N642 N643 Y644	E592-R618 IonicContact OE1-NH1 3.56Å; E592-R618 PolarHBondContact OE1-NH1 3.13Å; Q593-R618 VanDerWaalsContact CA-O 3.3Å; Q593-R618 WeakPolarHBondContact CA-O 3.45Å; Q593-R618 HydrophobicContact CG-CB 3.92Å; R618-H641 PolarHBondContact N-O 3.01Å; R618-H641 VanDerWaalsContact N-O 3.1Å; R618-N642 VanDerWaalsContact CA-O 3.26Å; R618-N642 WeakPolarHBondContact CA-O 3.39Å; R618-N642 HydrophobicContact CG-CB 4.12Å; R618-N642 WeakPolarHBondContact CG-ND2 3.07Å; R618-N642 PolarHBondContact N-O 3.09Å; R618-N643 PolarHBondContact N-OD1 2.96Å; R618-Y644 HydrophobicContact CB-CE2 4.47Å; R618-Y644 WeakPolarHBondContact O-CE2 3.48Å
619	N	94.8	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.			trans	-76.4	148	175.2	-59.4	-78.9	0	0	0	110.3	F591 N594 G599 I617 N621 A622 N643 Y644	F591-N619 PolarHBondContact O-ND2 3.15Å; F591-N619 VanDerWaalsContact O-ND2 3.1Å; N594-N619 WeakPolarHBondContact CB-OD1 3.44Å; N594-N619 PolarHBondContact N-OD1 2.53Å; N594-N619 PolarHBondContact ND2-OD1 3.13Å; G599-N619 WeakPolarHBondContact CA-OD1 3.21Å; I617-N619 PolarHBondContact N-ND2 3Å; I617-N619 VanDerWaalsContact N-ND2 3.2Å; I617-N619 PolarHBondContact O-N 3.06Å; I617-N619 VanDerWaalsContact O-N 3.08Å; I617-N619 PolarHBondContact O-ND2 3.24Å; N619-N621 VanDerWaalsContact C-N 3.32Å; N619-N621 PolarHBondContact O-N 3.37Å; N619-N621 VanDerWaalsContact O-N 3.11Å; N619-A622 VanDerWaalsContact CB-O 3.28Å; N619-A622 WeakPolarHBondContact CB-O 3.3Å; N619-N643 WeakPolarHBondContact CB-OD1 3.26Å; N619-N643 PolarHBondContact N-OD1 2.88Å; N619-N643 VanDerWaalsContact N-OD1 3.11Å; N619-N643 PolarHBondContact ND2-OD1 3.08Å; N619-N643 VanDerWaalsContact ND2-OD1 3.08Å; N619-Y644 WeakPolarHBondContact O-CD2 3.4Å; N619-Y644 PolarHBondContact O-N 3.06Å
620	Q	87.4	Confident	94	Very high	76 Å²	76	23.7 Å²	23.7	36%	0.355	11%	0.114	S	C	.	.	S	Bend	trans	-64.8	-10.3	-174.5	-174.3	64.8	14.1	0	0	113.2	N594 Q595 A622 Y644	N594-Q620 PolarHBondContact O-N 3.1Å; Q595-Q620 VanDerWaalsContact O-CB 3.26Å; Q595-Q620 WeakPolarHBondContact O-CB 3.4Å; Q595-Q620 VanDerWaalsContact O-CG 3.26Å; Q595-Q620 WeakPolarHBondContact O-CG 3.35Å; Q620-A622 PolarHBondContact O-N 2.78Å; Q620-Y644 VanDerWaalsContact O-CB 3.28Å; Q620-Y644 WeakPolarHBondContact O-CB 3.43Å
621	N	88.3	Confident	93.6	Very high	63.3333 Å²	63.3333	22.6 Å²	22.6	34%	0.339	11%	0.109	S	C	.	.	S	Bend	trans	-149.6	-76.2	176.5	-179.9	36.3	0	0	0	112.5	E597 N619 G645 H646	E597-N621 VanDerWaalsContact O-CB 3.29Å; E597-N621 WeakPolarHBondContact O-CB 3.49Å; E597-N621 PolarHBondContact O-ND2 3.49Å; N619-N621 VanDerWaalsContact C-N 3.32Å; N619-N621 PolarHBondContact O-N 3.37Å; N619-N621 VanDerWaalsContact O-N 3.11Å; N621-G645 CarbonylContact O-C 3.51Å; N621-G645 VanDerWaalsContact O-C 3.28Å; N621-G645 VanDerWaalsContact O-CA 3.24Å; N621-G645 WeakPolarHBondContact O-CA 3.3Å; N621-G645 PolarHBondContact O-N 2.95Å; N621-H646 PolarHBondContact O-N 2.87Å
622	A	93.4	Very high	93.4	Very high	0.666667 Å²	0.666667	25.5 Å²	25.5	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.8	176	0	0	0	0	0	113	E597 A598 G599 N619 Q620 N625 H646 V649	E597-A622 PolarHBondContact O-N 2.9Å; A598-A622 CarbonylContact C-O 3.55Å; A598-A622 WeakPolarHBondContact CA-O 3.29Å; A598-A622 HydrophobicContact CB-CB 3.95Å; G599-A622 PolarHBondContact N-O 2.99Å; N619-A622 VanDerWaalsContact CB-O 3.28Å; N619-A622 WeakPolarHBondContact CB-O 3.3Å; Q620-A622 PolarHBondContact O-N 2.78Å; A622-N625 HydrophobicContact CB-CB 4.19Å; A622-H646 CarbonylContact C-O 3.6Å; A622-H646 VanDerWaalsContact CA-O 3.26Å; A622-H646 WeakPolarHBondContact CA-O 3.4Å; A622-H646 HydrophobicContact CB-CB 4.46Å; A622-V649 HydrophobicContact CB-CG2 4.15Å
623	G	96	Very high	93.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	-60.4	162.6	0	0	0	0	0	110.6	G599 V600 F616 H646 G647	G599-G623 CarbonylContact C-O 3.52Å; G599-G623 VanDerWaalsContact CA-O 3.31Å; G599-G623 WeakPolarHBondContact CA-O 3.18Å; G599-G623 PolarHBondContact N-O 3.07Å; G599-G623 VanDerWaalsContact N-O 3.12Å; V600-G623 PolarHBondContact N-O 2.95Å; F616-G623 VanDerWaalsContact CD1-C 3.49Å; F616-G623 VanDerWaalsContact CD1-O 3.26Å; F616-G623 WeakPolarHBondContact CD1-O 3.38Å; G623-H646 PolarHBondContact N-O 3.07Å; G623-G647 VanDerWaalsContact CA-O 3.27Å; G623-G647 WeakPolarHBondContact CA-O 3.2Å; G623-G647 PolarHBondContact N-O 3.05Å; G623-G647 VanDerWaalsContact N-O 3.14Å
624	L	97.9	Very high	93.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.2	178.9	174.5	59	0	0	0	110.3	V600 I611 F616 I626 I635 F640 G647 L648 V649	V600-L624 HydrophobicContact CB-CD1 3.66Å; V600-L624 HydrophobicContact CG1-CD1 3.63Å; V600-L624 WeakPolarHBondContact O-CA 3.43Å; I611-L624 HydrophobicContact CD1-CD2 4.34Å; I611-L624 HydrophobicContact CG1-CD2 3.9Å; I611-L624 HydrophobicContact CG2-CD2 4.25Å; F616-L624 HydrophobicContact CD1-CB 4.33Å; F616-L624 HydrophobicContact CE1-CB 3.93Å; F616-L624 HydrophobicContact CE1-CD1 4.47Å; F616-L624 HydrophobicContact CE2-CB 4.46Å; F616-L624 HydrophobicContact CE2-CD2 4.48Å; F616-L624 HydrophobicContact CZ-CB 4.03Å; F616-L624 HydrophobicContact CZ-CD1 4.49Å; F616-L624 HydrophobicContact CZ-CD2 4.09Å; F616-L624 HydrophobicContact CZ-CG 4.45Å; L624-I626 HydrophobicContact CD1-CD1 4.33Å; L624-I626 HydrophobicContact CD1-CG1 3.91Å; L624-I626 HydrophobicContact CD2-CD1 4.06Å; L624-I626 HydrophobicContact CD2-CG1 4.43Å; L624-I626 HydrophobicContact CG-CD1 4.19Å; L624-I626 HydrophobicContact CG-CG1 4.01Å; L624-I635 HydrophobicContact CD2-CG1 4.31Å; L624-F640 HydrophobicContact CB-CE1 3.76Å; L624-F640 HydrophobicContact CB-CZ 4.35Å; L624-F640 HydrophobicContact CD2-CZ 4.33Å; L624-G647 PolarHBondContact N-O 3.07Å; L624-L648 HydrophobicContact CB-CD1 4.01Å; L624-L648 HydrophobicContact CD2-CD1 3.79Å; L624-L648 HydrophobicContact CG-CD1 3.79Å; L624-L648 CarbonylContact O-C 3.54Å; L624-L648 WeakPolarHBondContact O-CA 3.25Å; L624-V649 PolarHBondContact O-N 3.02Å
625	N	96.5	Very high	93.1	Very high	11 Å²	11	23.3 Å²	23.3	6%	0.059	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.3	175	-175.8	-9.2	0	0	0	110.1	E597 A598 V600 K601 I602 A622 S627 V649 W651	E597-N625 PolarHBondContact OE1-ND2 3.15Å; E597-N625 VanDerWaalsContact OE1-ND2 3.07Å; A598-N625 HydrophobicContact CB-CB 3.8Å; V600-N625 PolarHBondContact O-N 3.06Å; K601-N625 CarbonylContact C-O 3.59Å; K601-N625 WeakPolarHBondContact CA-O 3.4Å; K601-N625 HydrophobicContact CD-CB 3.77Å; K601-N625 VanDerWaalsContact NZ-CG 3.27Å; K601-N625 PolarHBondContact NZ-ND2 3.08Å; K601-N625 PolarHBondContact NZ-OD1 2.88Å; I602-N625 PolarHBondContact N-O 3.07Å; A622-N625 HydrophobicContact CB-CB 4.19Å; N625-S627 PolarHBondContact OD1-OG 2.99Å; N625-V649 WeakPolarHBondContact CA-O 3.2Å; N625-V649 HydrophobicContact CB-CB 4.23Å; N625-W651 PolarHBondContact OD1-NE1 3.18Å
626	I	95.1	Very high	93	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.1	177.9	-58.4	175.3	0	0	0	109.1	I602 I609 L624 V628 K633 I635 V649 I650 W651	I602-I626 HydrophobicContact CD1-CG1 4.38Å; I609-I626 HydrophobicContact CD1-CD1 4.3Å; I609-I626 HydrophobicContact CD1-CG1 4.49Å; I609-I626 HydrophobicContact CD1-CG2 3.55Å; I609-I626 HydrophobicContact CG2-CD1 4.22Å; L624-I626 HydrophobicContact CD1-CD1 4.33Å; L624-I626 HydrophobicContact CD1-CG1 3.91Å; L624-I626 HydrophobicContact CD2-CD1 4.06Å; L624-I626 HydrophobicContact CD2-CG1 4.43Å; L624-I626 HydrophobicContact CG-CD1 4.19Å; L624-I626 HydrophobicContact CG-CG1 4.01Å; I626-V628 HydrophobicContact CG2-CG1 4.07Å; I626-V628 HydrophobicContact CG2-CG2 3.82Å; I626-K633 HydrophobicContact CG2-CD 3.91Å; I626-K633 HydrophobicContact CG2-CG 4.35Å; I626-I635 HydrophobicContact CD1-CD1 4.29Å; I626-V649 PolarHBondContact N-O 2.93Å; I626-I650 HydrophobicContact CB-CD1 3.87Å; I626-I650 HydrophobicContact CB-CG1 4.37Å; I626-I650 HydrophobicContact CD1-CD1 3.94Å; I626-I650 HydrophobicContact CG1-CD1 4.24Å; I626-I650 WeakPolarHBondContact O-CA 3.15Å; I626-W651 PolarHBondContact O-N 3.22Å; I626-W651 VanDerWaalsContact O-N 3.07Å
627	S	91.6	Very high	93	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	74.9	-177.9	-57.2	0	0	0	0	110.6	K601 I602 L603 G604 N625 W651 L653	K601-S627 PolarHBondContact NZ-OG 3.05Å; I602-S627 WeakPolarHBondContact O-CA 3.42Å; I602-S627 PolarHBondContact O-N 3.23Å; L603-S627 CarbonylContact C-O 3.52Å; L603-S627 WeakPolarHBondContact CA-O 3.35Å; G604-S627 PolarHBondContact N-O 2.92Å; N625-S627 PolarHBondContact OD1-OG 2.99Å; S627-W651 CarbonylContact C-O 3.58Å; S627-W651 VanDerWaalsContact CA-O 3.27Å; S627-W651 WeakPolarHBondContact CA-O 3.38Å; S627-W651 WeakPolarHBondContact OG-CZ2 3.45Å; S627-W651 PolarHBondContact OG-NE1 3.46Å; S627-L653 WeakPolarHBondContact O-CD1 3.11Å
628	V	88.5	Confident	93	Very high	0.666667 Å²	0.666667	23.7 Å²	23.7	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.8	-171	-55.1	0	0	0	0	111.9	P580 I602 G604 I609 I626 G630 K633 W651 N652 L653	P580-V628 HydrophobicContact CG-CG1 4.24Å; I602-V628 HydrophobicContact CB-CG1 4.37Å; I602-V628 HydrophobicContact CG2-CG1 3.66Å; G604-V628 WeakPolarHBondContact O-CB 3.09Å; G604-V628 VanDerWaalsContact O-CG1 3.29Å; G604-V628 WeakPolarHBondContact O-CG1 3.37Å; I609-V628 HydrophobicContact CD1-CG1 4.29Å; I609-V628 HydrophobicContact CD1-CG2 4.14Å; I626-V628 HydrophobicContact CG2-CG1 4.07Å; I626-V628 HydrophobicContact CG2-CG2 3.82Å; V628-G630 VanDerWaalsContact C-N 3.31Å; V628-G630 WeakPolarHBondContact CG2-O 3.47Å; V628-G630 PolarHBondContact O-N 3.29Å; V628-K633 PolarHBondContact O-NZ 3.46Å; V628-W651 PolarHBondContact N-O 3.16Å; V628-N652 CarbonylContact O-C 3.58Å; V628-N652 VanDerWaalsContact O-CA 3.24Å; V628-N652 WeakPolarHBondContact O-CA 3.39Å; V628-N652 PolarHBondContact O-OD1 3.42Å; V628-L653 PolarHBondContact O-N 2.86Å
629	N	83.4	Confident	93.2	Very high	9.66667 Å²	9.66667	21.3 Å²	21.3	5%	0.052	11%	0.108	C	C	.	.	S	Bend	trans	-80	-10.5	-175.7	-91.3	27.1	0	0	0	113.7	G605 L653 S660 R662 P664	G605-N629 PolarHBondContact N-OD1 2.87Å; G605-N629 WeakPolarHBondContact O-CA 3.35Å; G605-N629 VanDerWaalsContact O-CB 3.31Å; G605-N629 WeakPolarHBondContact O-CB 3.34Å; G605-N629 PolarHBondContact O-N 3.21Å; G605-N629 PolarHBondContact O-OD1 2.92Å; N629-L653 PolarHBondContact ND2-O 3.1Å; N629-L653 VanDerWaalsContact ND2-O 3.13Å; N629-L653 PolarHBondContact OD1-N 2.88Å; N629-L653 VanDerWaalsContact OD1-N 3.17Å; N629-L653 PolarHBondContact OD1-O 2.98Å; N629-S660 PolarHBondContact ND2-OG 3.34Å; N629-S660 VanDerWaalsContact ND2-OG 3.14Å; N629-R662 PolarHBondContact ND2-O 3.31Å; N629-P664 WeakPolarHBondContact O-CB 3.36Å; N629-P664 WeakPolarHBondContact O-CG 3.41Å
630	G	83.9	Confident	93.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-168.5	-160.2	-179.5	0	0	0	0	0	114.6	G605 S606 V628 K633	G605-G630 PolarHBondContact O-N 2.97Å; S606-G630 WeakPolarHBondContact OG-CA 3.34Å; S606-G630 PolarHBondContact OG-N 2.9Å; V628-G630 VanDerWaalsContact C-N 3.31Å; V628-G630 WeakPolarHBondContact CG2-O 3.47Å; V628-G630 PolarHBondContact O-N 3.29Å; G630-K633 PolarHBondContact O-NZ 3.29Å
631	G	87.1	Confident	93.8	Very high	3.33333 Å²	3.33333	19.9 Å²	19.9	3%	0.034	10%	0.101	C	C	.	.			trans	83	157.9	-179.8	0	0	0	0	0	115.2	S606 A607 D608 K633 K669	S606-G631 WeakPolarHBondContact O-CA 3.31Å; S606-G631 PolarHBondContact O-N 3.21Å; A607-G631 VanDerWaalsContact O-CA 3.23Å; A607-G631 WeakPolarHBondContact O-CA 3.4Å; D608-G631 WeakPolarHBondContact OD1-CA 3.31Å; G631-K633 PolarHBondContact O-NZ 2.91Å; G631-K669 PolarHBondContact O-N 2.03Å
632	F	92.9	Very high	94.1	Very high	60.6667 Å²	60.6667	18.4 Å²	18.4	27%	0.266	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	120.4	173.6	179	-149.2	0	0	0	110.4	D608 I609 Q634 K669 H671	D608-F632 CarbonylContact C-O 3.44Å; D608-F632 VanDerWaalsContact CA-O 3.28Å; D608-F632 WeakPolarHBondContact CA-O 3.29Å; D608-F632 HydrophobicContact CB-CB 4.46Å; D608-F632 PolarHBondContact OD1-N 3.06Å; I609-F632 PolarHBondContact N-O 3.2Å; F632-Q634 HydrophobicContact CD1-CG 3.98Å; F632-Q634 HydrophobicContact CD2-CG 3.91Å; F632-Q634 HydrophobicContact CE1-CB 4.1Å; F632-Q634 HydrophobicContact CE1-CG 3.69Å; F632-Q634 VanDerWaalsContact CE1-OE1 3.31Å; F632-Q634 HydrophobicContact CE2-CG 3.55Å; F632-Q634 HydrophobicContact CG-CG 4.11Å; F632-Q634 HydrophobicContact CZ-CB 4.01Å; F632-Q634 HydrophobicContact CZ-CG 4.11Å; F632-Q634 VanDerWaalsContact CZ-CG 3.43Å; F632-K669 WeakPolarHBondContact CA-O 3.42Å; F632-K669 HydrophobicContact CB-CB 4.43Å; F632-K669 HydrophobicContact CD2-CB 3.45Å; F632-K669 VanDerWaalsContact CD2-CB 3.48Å; F632-K669 WeakPolarHBondContact CD2-O 3.29Å; F632-K669 HydrophobicContact CE2-CB 3.97Å; F632-K669 HydrophobicContact CG-CB 4.26Å; F632-H671 HydrophobicContact CE2-CB 3.88Å; F632-H671 AromaticContact CE2-CD2 3.67Å; F632-H671 VanDerWaalsContact CE2-CD2 3.4Å; F632-H671 WeakPolarHBondContact CE2-CD2 3.25Å; F632-H671 AromaticContact CE2-CE1 3.86Å; F632-H671 AromaticContact CE2-CG 3.51Å; F632-H671 VanDerWaalsContact CE2-CG 3.44Å; F632-H671 AromaticContact CE2-ND1 3.75Å; F632-H671 AromaticContact CE2-NE2 3.92Å; F632-H671 HydrophobicContact CZ-CB 4.16Å; F632-H671 AromaticContact CZ-CD2 3.83Å; F632-H671 AromaticContact CZ-CE1 3.89Å; F632-H671 AromaticContact CZ-CG 3.78Å; F632-H671 AromaticContact CZ-ND1 3.59Å; F632-H671 AromaticContact CZ-NE2 3.99Å
633	K	95	Very high	94.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.6	-179.6	-57.4	165.8	-174.1	79	0	108.8	I609 I626 V628 G630 G631 I635 I650 N652 K669 T670 H671	I609-K633 HydrophobicContact CD1-CG 4.44Å; I609-K633 CarbonylContact O-C 3.54Å; I609-K633 WeakPolarHBondContact O-CA 3.03Å; I626-K633 HydrophobicContact CG2-CD 3.91Å; I626-K633 HydrophobicContact CG2-CG 4.35Å; V628-K633 PolarHBondContact O-NZ 3.46Å; G630-K633 PolarHBondContact O-NZ 3.29Å; G631-K633 PolarHBondContact O-NZ 2.91Å; K633-I635 HydrophobicContact CB-CD1 4.23Å; K633-I650 HydrophobicContact CD-CD1 4.34Å; K633-I650 HydrophobicContact CD-CG2 4.05Å; K633-N652 VanDerWaalsContact CE-OD1 3.24Å; K633-N652 WeakPolarHBondContact CE-OD1 3.46Å; K633-N652 PolarHBondContact NZ-OD1 3.17Å; K633-K669 PolarHBondContact N-O 2.95Å; K633-T670 HydrophobicContact CB-CG2 4.14Å; K633-T670 CarbonylContact O-C 3.55Å; K633-T670 WeakPolarHBondContact O-CA 3.41Å; K633-H671 PolarHBondContact O-N 3.03Å
634	Q	96.2	Very high	93.8	Very high	60.6667 Å²	60.6667	23.8 Å²	23.8	28%	0.283	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.2	178.4	-147.2	174.7	-11	0	0	109.7	I609 L610 I611 F632 N636 H671	I609-Q634 PolarHBondContact O-N 3.08Å; L610-Q634 WeakPolarHBondContact CA-O 3.21Å; L610-Q634 HydrophobicContact CD1-CB 4.04Å; L610-Q634 HydrophobicContact CD1-CG 3.92Å; I611-Q634 PolarHBondContact N-O 2.97Å; F632-Q634 HydrophobicContact CD1-CG 3.98Å; F632-Q634 HydrophobicContact CD2-CG 3.91Å; F632-Q634 HydrophobicContact CE1-CB 4.1Å; F632-Q634 HydrophobicContact CE1-CG 3.69Å; F632-Q634 VanDerWaalsContact CE1-OE1 3.31Å; F632-Q634 HydrophobicContact CE2-CG 3.55Å; F632-Q634 HydrophobicContact CG-CG 4.11Å; F632-Q634 HydrophobicContact CZ-CB 4.01Å; F632-Q634 HydrophobicContact CZ-CG 4.11Å; F632-Q634 VanDerWaalsContact CZ-CG 3.43Å; Q634-N636 WeakPolarHBondContact CG-OD1 3.28Å; Q634-N636 PolarHBondContact NE2-ND2 3.4Å; Q634-H671 WeakPolarHBondContact CA-O 3.5Å
635	I	97.7	Very high	93.3	Very high	0.333333 Å²	0.333333	23.8 Å²	23.8	0%	0.002	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	108.5	177.7	-58	88.1	0	0	0	108	I611 L624 I626 K633 F640 L648 I650 T670 H671 V672 H673	I611-I635 HydrophobicContact CB-CB 4.43Å; I611-I635 HydrophobicContact CB-CG1 4.22Å; I611-I635 HydrophobicContact CB-CG2 4.39Å; I611-I635 HydrophobicContact CG1-CG1 4.2Å; I611-I635 HydrophobicContact CG2-CG2 4.39Å; L624-I635 HydrophobicContact CD2-CG1 4.31Å; I626-I635 HydrophobicContact CD1-CD1 4.29Å; K633-I635 HydrophobicContact CB-CD1 4.23Å; I635-F640 HydrophobicContact CG2-CE2 4.07Å; I635-F640 HydrophobicContact CG2-CZ 4.12Å; I635-L648 HydrophobicContact CD1-CD2 4.34Å; I635-L648 HydrophobicContact CG1-CD2 4.36Å; I635-I650 HydrophobicContact CD1-CD1 4.28Å; I635-T670 HydrophobicContact CD1-CG2 4.34Å; I635-H671 PolarHBondContact N-O 3.29Å; I635-V672 HydrophobicContact CB-CG2 4.4Å; I635-V672 HydrophobicContact CD1-CG2 4.31Å; I635-V672 CarbonylContact O-C 3.53Å; I635-V672 WeakPolarHBondContact O-CA 3.31Å; I635-H673 PolarHBondContact O-N 3.21Å
636	N	96.6	Very high	93.1	Very high	27 Å²	27	23.7 Å²	23.7	14%	0.144	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.3	-173.3	-39	-22.3	0	0	0	112.6	I611 N612 N613 Q634 S638 H673	I611-N636 PolarHBondContact O-N 3.01Å; I611-N636 VanDerWaalsContact O-O 3.11Å; I611-N636 PolarHBondContact O-OD1 3.33Å; N612-N636 WeakPolarHBondContact CA-O 3.29Å; N612-N636 PolarHBondContact OD1-ND2 2.88Å; N613-N636 PolarHBondContact N-O 3.04Å; Q634-N636 WeakPolarHBondContact CG-OD1 3.28Å; Q634-N636 PolarHBondContact NE2-ND2 3.4Å; N636-S638 PolarHBondContact O-N 2.98Å; N636-S638 PolarHBondContact O-OG 3.33Å; N636-H673 VanDerWaalsContact CA-O 3.27Å; N636-H673 WeakPolarHBondContact CA-O 3.43Å; N636-H673 WeakPolarHBondContact CB-CE1 3.44Å; N636-H673 WeakPolarHBondContact OD1-CB 3.31Å
637	N	97.5	Very high	93.1	Very high	79.6667 Å²	79.6667	23.7 Å²	23.7	43%	0.426	11%	0.114	S	C	.	.	S	Bend	trans	51.6	26.8	173.1	-132.2	25.6	0	0	0	114.4	N612 N613 H673 L674 S675	N612-N637 PolarHBondContact OD1-ND2 3.43Å; N613-N637 VanDerWaalsContact CA-O 3.29Å; N613-N637 WeakPolarHBondContact CA-O 3.28Å; N613-N637 HydrophobicContact CB-CB 4.26Å; N613-N637 PolarHBondContact OD1-ND2 2.95Å; N637-H673 PolarHBondContact N-O 3.05Å; N637-H673 VanDerWaalsContact N-O 3.1Å; N637-L674 VanDerWaalsContact CA-O 3.27Å; N637-L674 WeakPolarHBondContact CA-O 3.32Å; N637-L674 PolarHBondContact N-O 3.38Å; N637-L674 WeakPolarHBondContact OD1-CB 3.29Å; N637-S675 PolarHBondContact N-OG 3.29Å
638	S	98.2	Very high	93.4	Very high	2.33333 Å²	2.33333	23.7 Å²	23.7	2%	0.016	11%	0.113	C	C	.	.			trans	-106.9	149.4	-168.6	-64.9	0	0	0	0	111.9	I611 N613 N614 N636 S675 N676	I611-S638 PolarHBondContact O-OG 2.83Å; N613-S638 PolarHBondContact N-OG 2.85Å; N614-S638 PolarHBondContact N-OG 2.92Å; N614-S638 VanDerWaalsContact N-OG 3.09Å; N614-S638 CarbonylContact O-C 3.54Å; N614-S638 VanDerWaalsContact O-CA 3.25Å; N614-S638 WeakPolarHBondContact O-CA 3.36Å; N614-S638 VanDerWaalsContact O-CB 3.29Å; N614-S638 WeakPolarHBondContact O-CB 3.2Å; N636-S638 PolarHBondContact O-N 2.98Å; N636-S638 PolarHBondContact O-OG 3.33Å; S638-S675 PolarHBondContact N-OG 2.98Å; S638-S675 CarbonylContact O-C 3.47Å; S638-S675 VanDerWaalsContact O-CA 3.3Å; S638-S675 WeakPolarHBondContact O-CA 3.46Å; S638-S675 VanDerWaalsContact O-CB 3.31Å; S638-S675 WeakPolarHBondContact O-CB 3.33Å; S638-N676 PolarHBondContact O-N 3.14Å
639	L	98.4	Very high	93.8	Very high	49.3333 Å²	49.3333	23.9 Å²	23.9	26%	0.258	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.1	-179.2	176.5	65.6	0	0	0	110.6	N614 Q615 F616 H641 N676	N614-L639 PolarHBondContact O-N 3.34Å; Q615-L639 CarbonylContact C-O 3.58Å; Q615-L639 WeakPolarHBondContact CA-O 3.36Å; Q615-L639 HydrophobicContact CG-CB 4.33Å; F616-L639 PolarHBondContact N-O 3.17Å; L639-H641 HydrophobicContact CD1-CB 4.26Å; L639-H641 HydrophobicContact CD2-CB 4.43Å; L639-H641 HydrophobicContact CG-CB 4.15Å; L639-N676 HydrophobicContact CD1-CB 3.75Å
640	F	98.4	Very high	94.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	102.5	173.6	-62.9	-92.5	0	0	0	108.7	F616 L624 I635 G647 L648 N676 F677 T678 N680	F616-F640 HydrophobicContact CB-CD1 3.77Å; F616-F640 HydrophobicContact CB-CE1 4.12Å; F616-F640 HydrophobicContact CD1-CE1 4.46Å; F616-F640 AromaticContact CD2-CD1 3.61Å; F616-F640 HydrophobicContact CD2-CD1 3.61Å; F616-F640 AromaticContact CD2-CE1 3.19Å; F616-F640 HydrophobicContact CD2-CE1 3.19Å; F616-F640 HydrophobicContact CD2-CE2 4.27Å; F616-F640 HydrophobicContact CD2-CG 4.3Å; F616-F640 AromaticContact CD2-CZ 3.57Å; F616-F640 HydrophobicContact CD2-CZ 3.57Å; F616-F640 HydrophobicContact CE2-CD1 4.44Å; F616-F640 AromaticContact CE2-CE1 3.61Å; F616-F640 HydrophobicContact CE2-CE1 3.61Å; F616-F640 HydrophobicContact CE2-CE2 4.46Å; F616-F640 AromaticContact CE2-CZ 3.62Å; F616-F640 HydrophobicContact CE2-CZ 3.62Å; F616-F640 AromaticContact CG-CD1 3.89Å; F616-F640 HydrophobicContact CG-CD1 3.89Å; F616-F640 AromaticContact CG-CE1 3.7Å; F616-F640 HydrophobicContact CG-CE1 3.7Å; F616-F640 HydrophobicContact CG-CZ 4.47Å; F616-F640 HydrophobicContact CZ-CE1 4.4Å; L624-F640 HydrophobicContact CB-CE1 3.76Å; L624-F640 HydrophobicContact CB-CZ 4.35Å; L624-F640 HydrophobicContact CD2-CZ 4.33Å; I635-F640 HydrophobicContact CG2-CE2 4.07Å; I635-F640 HydrophobicContact CG2-CZ 4.12Å; F640-G647 VanDerWaalsContact CD1-O 3.23Å; F640-G647 WeakPolarHBondContact CD1-O 3.34Å; F640-G647 WeakPolarHBondContact CE1-O 3.35Å; F640-L648 HydrophobicContact CE1-CB 4.36Å; F640-L648 HydrophobicContact CZ-CB 4.46Å; F640-N676 PolarHBondContact N-O 2.92Å; F640-F677 HydrophobicContact CB-CD1 3.54Å; F640-F677 HydrophobicContact CB-CE1 3.79Å; F640-F677 HydrophobicContact CB-CG 4.23Å; F640-F677 HydrophobicContact CD1-CE1 4.11Å; F640-F677 AromaticContact CD2-CD1 3.81Å; F640-F677 HydrophobicContact CD2-CD1 3.81Å; F640-F677 HydrophobicContact CD2-CD2 4.44Å; F640-F677 AromaticContact CD2-CE1 3.28Å; F640-F677 HydrophobicContact CD2-CE1 3.28Å; F640-F677 AromaticContact CD2-CE2 3.97Å; F640-F677 HydrophobicContact CD2-CE2 3.98Å; F640-F677 HydrophobicContact CD2-CG 4.35Å; F640-F677 AromaticContact CD2-CZ 3.37Å; F640-F677 HydrophobicContact CD2-CZ 3.37Å; F640-F677 AromaticContact CE2-CE1 3.82Å; F640-F677 HydrophobicContact CE2-CE1 3.82Å; F640-F677 HydrophobicContact CE2-CE2 4.31Å; F640-F677 AromaticContact CE2-CZ 3.57Å; F640-F677 HydrophobicContact CE2-CZ 3.57Å; F640-F677 AromaticContact CG-CD1 3.77Å; F640-F677 HydrophobicContact CG-CD1 3.77Å; F640-F677 AromaticContact CG-CE1 3.44Å; F640-F677 HydrophobicContact CG-CE1 3.44Å; F640-F677 VanDerWaalsContact CG-CE1 3.44Å; F640-F677 HydrophobicContact CG-CZ 4.05Å; F640-F677 HydrophobicContact CZ-CE1 4.42Å; F640-F677 HydrophobicContact CZ-CZ 4.37Å; F640-F677 WeakPolarHBondContact O-CA 3.34Å; F640-T678 PolarHBondContact O-N 2.55Å; F640-T678 PolarHBondContact O-OG1 2.88Å; F640-N680 PolarHBondContact O-ND2 3.03Å; F640-N680 VanDerWaalsContact O-ND2 3.08Å
641	H	97.6	Very high	94.6	Very high	47 Å²	47	27.8 Å²	27.8	22%	0.218	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.7	-169.6	-179.3	58.7	0	0	0	113.2	F616 I617 R618 L639 N643 T678 E679	F616-H641 PolarHBondContact O-N 3.03Å; I617-H641 VanDerWaalsContact CA-O 3.31Å; I617-H641 WeakPolarHBondContact CA-O 3.35Å; I617-H641 HydrophobicContact CG1-CB 4.48Å; R618-H641 PolarHBondContact N-O 3.01Å; R618-H641 VanDerWaalsContact N-O 3.1Å; L639-H641 HydrophobicContact CD1-CB 4.26Å; L639-H641 HydrophobicContact CD2-CB 4.43Å; L639-H641 HydrophobicContact CG-CB 4.15Å; H641-N643 PolarHBondContact N-ND2 3.17Å; H641-N643 PolarHBondContact O-N 3.32Å; H641-N643 VanDerWaalsContact O-N 3.08Å; H641-N643 PolarHBondContact O-ND2 3.2Å; H641-T678 VanDerWaalsContact CA-O 3.29Å; H641-T678 WeakPolarHBondContact CA-O 3.39Å; H641-T678 WeakPolarHBondContact CB-OG1 3.38Å; H641-T678 PolarHBondContact ND1-O 2.78Å; H641-T678 PolarHBondContact ND1-OG1 2.58Å; H641-E679 IonicContact CE1-OE2 2.9Å
642	N	94.8	Very high	94.5	Very high	33 Å²	33	28 Å²	28	18%	0.176	13%	0.129	C	C	.	.	S	Bend	trans	53.5	32.1	169	-139.6	16.4	0	0	0	114.3	R618 T678 E679 Y681	R618-N642 VanDerWaalsContact CA-O 3.26Å; R618-N642 WeakPolarHBondContact CA-O 3.39Å; R618-N642 HydrophobicContact CG-CB 4.12Å; R618-N642 WeakPolarHBondContact CG-ND2 3.07Å; R618-N642 PolarHBondContact N-O 3.09Å; N642-T678 PolarHBondContact N-O 2.94Å; N642-E679 VanDerWaalsContact CA-O 3.31Å; N642-E679 WeakPolarHBondContact CA-O 3.27Å; N642-E679 PolarHBondContact ND2-OE2 2.92Å; N642-E679 VanDerWaalsContact ND2-OE2 3.07Å; N642-E679 WeakPolarHBondContact OD1-CB 3.38Å; N642-E679 PolarHBondContact OD1-O 2.98Å; N642-E679 PolarHBondContact OD1-OE2 3.38Å; N642-Y681 VanDerWaalsContact OD1-CE2 3.27Å; N642-Y681 WeakPolarHBondContact OD1-CE2 3.32Å
643	N	93.9	Very high	93.7	Very high	0.333333 Å²	0.333333	25.8 Å²	25.8	0%	0.002	12%	0.12	C	C	.	.			trans	-74	137.9	174.1	-60.8	-77	0	0	0	109.3	F616 R618 N619 H641 G645 N680 Y681	F616-N643 PolarHBondContact O-ND2 3.13Å; F616-N643 PolarHBondContact O-OD1 2.71Å; R618-N643 PolarHBondContact N-OD1 2.96Å; N619-N643 WeakPolarHBondContact CB-OD1 3.26Å; N619-N643 PolarHBondContact N-OD1 2.88Å; N619-N643 VanDerWaalsContact N-OD1 3.11Å; N619-N643 PolarHBondContact ND2-OD1 3.08Å; N619-N643 VanDerWaalsContact ND2-OD1 3.08Å; H641-N643 PolarHBondContact N-ND2 3.17Å; H641-N643 PolarHBondContact O-N 3.32Å; H641-N643 VanDerWaalsContact O-N 3.08Å; H641-N643 PolarHBondContact O-ND2 3.2Å; N643-G645 PolarHBondContact O-N 3.31Å; N643-G645 VanDerWaalsContact O-N 3.13Å; N643-N680 WeakPolarHBondContact CB-OD1 3.37Å; N643-N680 PolarHBondContact N-OD1 3.27Å; N643-N680 PolarHBondContact ND2-OD1 2.83Å; N643-Y681 WeakPolarHBondContact O-CD2 3.38Å; N643-Y681 PolarHBondContact O-N 3.17Å
644	Y	87.7	Confident	92.4	Very high	112.667 Å²	112.667	28.7 Å²	28.7	44%	0.442	14%	0.135	S	C	.	.	S	Bend	trans	-71.2	-11.5	-175.5	-65.6	-70.2	0	0	0	113.5	R618 N619 Q620 Y681 H682	R618-Y644 HydrophobicContact CB-CE2 4.47Å; R618-Y644 WeakPolarHBondContact O-CE2 3.48Å; N619-Y644 WeakPolarHBondContact O-CD2 3.4Å; N619-Y644 PolarHBondContact O-N 3.06Å; Q620-Y644 VanDerWaalsContact O-CB 3.28Å; Q620-Y644 WeakPolarHBondContact O-CB 3.43Å; Y644-Y681 HydrophobicContact CD1-CD2 4.21Å; Y644-Y681 HydrophobicContact CD1-CE2 4.24Å; Y644-Y681 HydrophobicContact CE1-CE2 4.33Å; Y644-Y681 VanDerWaalsContact O-CB 3.3Å; Y644-Y681 WeakPolarHBondContact O-CB 3.25Å; Y644-Y681 WeakPolarHBondContact O-CD1 3.39Å; Y644-H682 PolarHBondContact O-CD2 2.99Å
645	G	87.3	Confident	90.5	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	14%	0.141	C	C	.	.	S	Bend	trans	-122.8	-120.1	166.1	0	0	0	0	0	111	N621 N643 Y681 H682	N621-G645 CarbonylContact O-C 3.51Å; N621-G645 VanDerWaalsContact O-C 3.28Å; N621-G645 VanDerWaalsContact O-CA 3.24Å; N621-G645 WeakPolarHBondContact O-CA 3.3Å; N621-G645 PolarHBondContact O-N 2.95Å; N643-G645 PolarHBondContact O-N 3.31Å; N643-G645 VanDerWaalsContact O-N 3.13Å; G645-Y681 PolarHBondContact O-N 2.88Å; G645-H682 WeakPolarHBondContact O-CB 3.32Å; G645-H682 PolarHBondContact O-N 2.99Å
646	H	92.9	Very high	88.4	Confident	9 Å²	9	34.3 Å²	34.3	4%	0.042	17%	0.172	C	C	.	.			trans	-85.1	155.9	-176.1	-61.5	-63.3	0	0	0	113	N621 A622 G623 V649 H682 D683 R686	N621-H646 PolarHBondContact O-N 2.87Å; A622-H646 CarbonylContact C-O 3.6Å; A622-H646 VanDerWaalsContact CA-O 3.26Å; A622-H646 WeakPolarHBondContact CA-O 3.4Å; A622-H646 HydrophobicContact CB-CB 4.46Å; G623-H646 PolarHBondContact N-O 3.07Å; H646-V649 HydrophobicContact CB-CG2 3.54Å; H646-V649 VanDerWaalsContact CB-CG2 3.4Å; H646-H682 VanDerWaalsContact CE1-CB 3.44Å; H646-H682 WeakPolarHBondContact CE1-CB 3.32Å; H646-H682 AromaticContact CE1-ND1 3.98Å; H646-H682 WeakPolarHBondContact ND1-CB 3.34Å; H646-H682 AromaticContact NE2-ND1 3.77Å; H646-D683 VanDerWaalsContact CA-O 3.27Å; H646-D683 WeakPolarHBondContact CA-O 3.33Å; H646-D683 WeakPolarHBondContact CB-O 3.35Å; H646-D683 IonicContact CE1-OD2 3.25Å; H646-D683 PolarHBondContact ND1-N 3.09Å; H646-D683 PolarHBondContact ND1-O 3.19Å; H646-R686 PolarHBondContact CE1-NE 2.94Å; H646-R686 VanDerWaalsContact CE1-NE 3.32Å; H646-R686 PolarHBondContact CE1-NH1 3.45Å; H646-R686 PolarHBondContact CE1-NH2 3.03Å; H646-R686 VanDerWaalsContact NE2-CZ 3.32Å; H646-R686 PolarHBondContact NE2-NH1 2.92Å; H646-R686 VanDerWaalsContact NE2-NH1 3.16Å
647	G	96	Very high	86.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-73.2	-66.1	165.7	0	0	0	0	0	110.6	G623 L624 F640 D683 A684	G623-G647 VanDerWaalsContact CA-O 3.27Å; G623-G647 WeakPolarHBondContact CA-O 3.2Å; G623-G647 PolarHBondContact N-O 3.05Å; G623-G647 VanDerWaalsContact N-O 3.14Å; L624-G647 PolarHBondContact N-O 3.07Å; F640-G647 VanDerWaalsContact CD1-O 3.23Å; F640-G647 WeakPolarHBondContact CD1-O 3.34Å; F640-G647 WeakPolarHBondContact CE1-O 3.35Å; G647-D683 PolarHBondContact N-O 3.11Å; G647-A684 CarbonylContact C-O 3.47Å; G647-A684 WeakPolarHBondContact CA-O 3.19Å; G647-A684 PolarHBondContact N-O 3.05Å; G647-A684 VanDerWaalsContact N-O 3.13Å
648	L	97.9	Very high	83.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.7	-178.3	173.3	60.6	0	0	0	110.8	L624 I635 F640 I650 V672 F677 A684 I685 R686	L624-L648 HydrophobicContact CB-CD1 4.01Å; L624-L648 HydrophobicContact CD2-CD1 3.79Å; L624-L648 HydrophobicContact CG-CD1 3.79Å; L624-L648 CarbonylContact O-C 3.54Å; L624-L648 WeakPolarHBondContact O-CA 3.25Å; I635-L648 HydrophobicContact CD1-CD2 4.34Å; I635-L648 HydrophobicContact CG1-CD2 4.36Å; F640-L648 HydrophobicContact CE1-CB 4.36Å; F640-L648 HydrophobicContact CZ-CB 4.46Å; L648-I650 HydrophobicContact CD1-CD1 3.96Å; L648-I650 HydrophobicContact CD1-CG1 4Å; L648-I650 HydrophobicContact CD2-CD1 4.15Å; L648-I650 HydrophobicContact CD2-CG1 4.43Å; L648-I650 HydrophobicContact CG-CD1 4.13Å; L648-I650 HydrophobicContact CG-CG1 4.09Å; L648-V672 HydrophobicContact CD2-CG2 3.88Å; L648-F677 HydrophobicContact CB-CE1 3.79Å; L648-F677 HydrophobicContact CB-CZ 4.1Å; L648-F677 HydrophobicContact CD2-CZ 4.33Å; L648-A684 PolarHBondContact N-O 3.17Å; L648-I685 HydrophobicContact CB-CG1 4.26Å; L648-I685 HydrophobicContact CB-CG2 4.41Å; L648-I685 HydrophobicContact CD2-CG1 4.49Å; L648-I685 HydrophobicContact CD2-CG2 4.25Å; L648-I685 HydrophobicContact CG-CG2 4.33Å; L648-I685 CarbonylContact O-C 3.54Å; L648-I685 VanDerWaalsContact O-CA 3.32Å; L648-I685 WeakPolarHBondContact O-CA 3.33Å; L648-R686 PolarHBondContact O-N 3.02Å
649	V	96.3	Very high	81.5	Confident	6.66667 Å²	6.66667	43.4 Å²	43.4	4%	0.04	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.4	173	176.1	0	0	0	0	109.2	A622 L624 N625 I626 H646 R686 Y688	A622-V649 HydrophobicContact CB-CG2 4.15Å; L624-V649 PolarHBondContact O-N 3.02Å; N625-V649 WeakPolarHBondContact CA-O 3.2Å; N625-V649 HydrophobicContact CB-CB 4.23Å; I626-V649 PolarHBondContact N-O 2.93Å; H646-V649 HydrophobicContact CB-CG2 3.54Å; H646-V649 VanDerWaalsContact CB-CG2 3.4Å; V649-R686 WeakPolarHBondContact CA-O 3.36Å; V649-Y688 HydrophobicContact CG1-CD2 3.89Å; V649-Y688 HydrophobicContact CG1-CE2 3.64Å; V649-Y688 VanDerWaalsContact CG1-CE2 3.45Å
650	I	94.3	Very high	79.4	Confident	3.33333 Å²	3.33333	42.3 Å²	42.3	2%	0.017	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.9	174	-59.1	-149.2	0	0	0	108.9	I626 K633 I635 L648 T670 R686 F687 Y688	I626-I650 HydrophobicContact CB-CD1 3.87Å; I626-I650 HydrophobicContact CB-CG1 4.37Å; I626-I650 HydrophobicContact CD1-CD1 3.94Å; I626-I650 HydrophobicContact CG1-CD1 4.24Å; I626-I650 WeakPolarHBondContact O-CA 3.15Å; K633-I650 HydrophobicContact CD-CD1 4.34Å; K633-I650 HydrophobicContact CD-CG2 4.05Å; I635-I650 HydrophobicContact CD1-CD1 4.28Å; L648-I650 HydrophobicContact CD1-CD1 3.96Å; L648-I650 HydrophobicContact CD1-CG1 4Å; L648-I650 HydrophobicContact CD2-CD1 4.15Å; L648-I650 HydrophobicContact CD2-CG1 4.43Å; L648-I650 HydrophobicContact CG-CD1 4.13Å; L648-I650 HydrophobicContact CG-CG1 4.09Å; I650-T670 HydrophobicContact CD1-CG2 3.73Å; I650-T670 VanDerWaalsContact CD1-CG2 3.43Å; I650-T670 HydrophobicContact CG1-CG2 4.18Å; I650-R686 PolarHBondContact N-O 3.15Å; I650-F687 HydrophobicContact CB-CD1 3.88Å; I650-F687 HydrophobicContact CB-CE1 4.12Å; I650-F687 HydrophobicContact CD1-CE1 3.97Å; I650-F687 HydrophobicContact CG1-CD1 4.13Å; I650-F687 HydrophobicContact CG1-CE1 4.15Å; I650-F687 HydrophobicContact CG2-CD1 4.25Å; I650-F687 HydrophobicContact CG2-CE1 4.37Å; I650-F687 WeakPolarHBondContact O-CA 3.37Å; I650-Y688 PolarHBondContact O-N 3.13Å
651	W	89.7	Confident	77.8	Confident	87 Å²	87	44 Å²	44	33%	0.33	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	127.2	175.1	156	-7	0	0	0	109.3	L603 N625 I626 S627 V628 L653 Y688 N689	L603-W651 HydrophobicContact CD1-CH2 4.48Å; L603-W651 HydrophobicContact CD1-CZ2 4.29Å; N625-W651 PolarHBondContact OD1-NE1 3.18Å; I626-W651 PolarHBondContact O-N 3.22Å; I626-W651 VanDerWaalsContact O-N 3.07Å; S627-W651 CarbonylContact C-O 3.58Å; S627-W651 VanDerWaalsContact CA-O 3.27Å; S627-W651 WeakPolarHBondContact CA-O 3.38Å; S627-W651 WeakPolarHBondContact OG-CZ2 3.45Å; S627-W651 PolarHBondContact OG-NE1 3.46Å; V628-W651 PolarHBondContact N-O 3.16Å; W651-L653 HydrophobicContact CD2-CD2 3.59Å; W651-L653 HydrophobicContact CE3-CD2 3.87Å; W651-L653 VanDerWaalsContact CE3-CD2 3.5Å; W651-L653 HydrophobicContact CG-CD2 4.29Å; W651-L653 HydrophobicContact CH2-CD2 3.67Å; W651-L653 VanDerWaalsContact CH2-CD2 3.48Å; W651-L653 HydrophobicContact CH2-CG 4.18Å; W651-L653 HydrophobicContact CZ2-CD2 3.75Å; W651-L653 HydrophobicContact CZ3-CD2 3.58Å; W651-L653 HydrophobicContact CZ3-CG 3.86Å; W651-L653 PolarHBondContact O-N 3.4Å; W651-Y688 HydrophobicContact CB-CD2 4.12Å; W651-Y688 HydrophobicContact CB-CG 4.28Å; W651-Y688 VanDerWaalsContact CD1-CB 3.46Å; W651-Y688 HydrophobicContact CG-CD2 4.49Å; W651-Y688 HydrophobicContact CG-CG 4.28Å; W651-N689 PolarHBondContact NE1-O 2.91Å
652	N	84.3	Confident	76.8	Confident	7.66667 Å²	7.66667	43 Å²	43	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.1	173.9	-54.4	-53.3	0	0	0	108.5	V628 K633 N654 L668 S690 L692	V628-N652 CarbonylContact O-C 3.58Å; V628-N652 VanDerWaalsContact O-CA 3.24Å; V628-N652 WeakPolarHBondContact O-CA 3.39Å; V628-N652 PolarHBondContact O-OD1 3.42Å; K633-N652 VanDerWaalsContact CE-OD1 3.24Å; K633-N652 WeakPolarHBondContact CE-OD1 3.46Å; K633-N652 PolarHBondContact NZ-OD1 3.17Å; N652-N654 PolarHBondContact O-N 3.17Å; N652-L668 HydrophobicContact CB-CD1 3.5Å; N652-L668 HydrophobicContact CB-CD2 3.77Å; N652-L668 VanDerWaalsContact CG-CD1 3.49Å; N652-L668 WeakPolarHBondContact ND2-CD2 3.34Å; N652-S690 WeakPolarHBondContact CA-OG 3.15Å; N652-S690 WeakPolarHBondContact CB-OG 3.39Å; N652-S690 PolarHBondContact N-OG 2.94Å; N652-S690 WeakPolarHBondContact ND2-CB 3.28Å; N652-S690 WeakPolarHBondContact O-CA 3.22Å; N652-S690 WeakPolarHBondContact O-CB 3.46Å; N652-S690 PolarHBondContact O-OG 3.4Å; N652-L692 HydrophobicContact CB-CD1 4.12Å
653	L	77.6	Confident	76	Confident	15.6667 Å²	15.6667	43.3 Å²	43.3	8%	0.082	23%	0.228	C	C	.	.			trans	-72	129.2	-176.5	-67.1	167.7	0	0	0	110.1	L603 S627 V628 N629 W651 L661	L603-L653 HydrophobicContact CD1-CD1 4.33Å; S627-L653 WeakPolarHBondContact O-CD1 3.11Å; V628-L653 PolarHBondContact O-N 2.86Å; N629-L653 PolarHBondContact ND2-O 3.1Å; N629-L653 VanDerWaalsContact ND2-O 3.13Å; N629-L653 PolarHBondContact OD1-N 2.88Å; N629-L653 VanDerWaalsContact OD1-N 3.17Å; N629-L653 PolarHBondContact OD1-O 2.98Å; W651-L653 HydrophobicContact CD2-CD2 3.59Å; W651-L653 HydrophobicContact CE3-CD2 3.87Å; W651-L653 VanDerWaalsContact CE3-CD2 3.5Å; W651-L653 HydrophobicContact CG-CD2 4.29Å; W651-L653 HydrophobicContact CH2-CD2 3.67Å; W651-L653 VanDerWaalsContact CH2-CD2 3.48Å; W651-L653 HydrophobicContact CH2-CG 4.18Å; W651-L653 HydrophobicContact CZ2-CD2 3.75Å; W651-L653 HydrophobicContact CZ3-CD2 3.58Å; W651-L653 HydrophobicContact CZ3-CG 3.86Å; W651-L653 PolarHBondContact O-N 3.4Å; L653-L661 HydrophobicContact CB-CD1 3.89Å; L653-L661 HydrophobicContact CD1-CD1 3.92Å; L653-L661 HydrophobicContact CD1-CD2 4.49Å
654	N	67.5	Low	75.4	Confident	59 Å²	59	44.5 Å²	44.5	32%	0.316	24%	0.236	S	C	.	.			trans	-70.3	150.2	174.1	-101.3	-14.3	0	0	0	110.5	N652 S656 D657 C691	N652-N654 PolarHBondContact O-N 3.17Å; N654-S656 VanDerWaalsContact C-N 3.28Å; N654-S656 PolarHBondContact O-N 3.12Å; N654-S656 VanDerWaalsContact O-N 3.08Å; N654-D657 PolarHBondContact O-N 3.3Å; N654-D657 VanDerWaalsContact O-N 3.12Å; N654-C691 PolarHBondContact OD1-N 3.07Å; N654-C691 VanDerWaalsContact OD1-N 3.07Å
655	Q	56.7	Low	75	Confident	87 Å²	87	41.2 Å²	41.2	41%	0.407	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.4	-175.3	-168.6	173	5	0	0	113.7	Q483 D657 S660 R662	Q483-Q655 VanDerWaalsContact NE2-NE2 3.12Å; Q655-D657 PolarHBondContact O-N 3.04Å; Q655-S660 PolarHBondContact NE2-O 2.93Å; Q655-R662 PolarHBondContact NE2-O 3.2Å
656	S	53.3	Low	74.4	Confident	92.6667 Å²	92.6667	46.4 Å²	46.4	65%	0.648	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.8	176.5	51.5	0	0	0	0	113.3	N654 L658	N654-S656 VanDerWaalsContact C-N 3.28Å; N654-S656 PolarHBondContact O-N 3.12Å; N654-S656 VanDerWaalsContact O-N 3.08Å; S656-L658 VanDerWaalsContact C-N 3.31Å; S656-L658 PolarHBondContact O-N 3.06Å
657	D	50.3	Low	73.7	Confident	94.6667 Å²	94.6667	48.4 Å²	48.4	51%	0.506	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	9.8	-171	-65.6	-11.7	0	0	0	111.3	N654 Q655 S659 S660	N654-D657 PolarHBondContact O-N 3.3Å; N654-D657 VanDerWaalsContact O-N 3.12Å; Q655-D657 PolarHBondContact O-N 3.04Å; D657-S659 PolarHBondContact O-N 3.17Å; D657-S660 PolarHBondContact O-N 3Å
658	L	47.8	Very low	73.3	Confident	108 Å²	108	48.5 Å²	48.5	57%	0.565	27%	0.266	S	S	*	.			trans	-118.6	91	174.3	-80.7	108.8	0	0	0	112.6	S656 S660 L661	S656-L658 VanDerWaalsContact C-N 3.31Å; S656-L658 PolarHBondContact O-N 3.06Å; L658-S660 PolarHBondContact O-N 2.98Å; L658-L661 HydrophobicContact CB-CD1 3.68Å; L658-L661 HydrophobicContact CB-CD2 4.43Å; L658-L661 HydrophobicContact CB-CG 3.59Å; L658-L661 HydrophobicContact CD1-CD1 4.17Å; L658-L661 HydrophobicContact CG-CD1 4.48Å; L658-L661 PolarHBondContact O-N 2.94Å
659	S	48.6	Very low	73	Confident	97.3333 Å²	97.3333	52.2 Å²	52.2	68%	0.681	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-3.7	172.6	59.3	0	0	0	0	114.3	Q483 D657 L661	Q483-S659 PolarHBondContact NE2-O 3.33Å; Q483-S659 PolarHBondContact OE1-O 2.84Å; D657-S659 PolarHBondContact O-N 3.17Å; S659-L661 PolarHBondContact O-N 2.91Å
660	S	54.1	Low	73	Confident	25.3333 Å²	25.3333	52 Å²	52	18%	0.177	28%	0.281	C	S	.	.			trans	-89.2	74.1	177.4	67	0	0	0	0	112.9	N629 Q655 D657 L658 R662	N629-S660 PolarHBondContact ND2-OG 3.34Å; N629-S660 VanDerWaalsContact ND2-OG 3.14Å; Q655-S660 PolarHBondContact NE2-O 2.93Å; D657-S660 PolarHBondContact O-N 3Å; L658-S660 PolarHBondContact O-N 2.98Å; S660-R662 PolarHBondContact O-N 3.06Å
661	L	64.4	Low	73.1	Confident	36.3333 Å²	36.3333	53.9 Å²	53.9	19%	0.19	29%	0.29	C	S	.	.			trans	-80.2	46.8	-174.8	-69.8	149.1	0	0	0	114.8	P385 V511 L653 L658 S659	P385-L661 HydrophobicContact CB-CD1 4.07Å; P385-L661 HydrophobicContact CG-CB 4.18Å; P385-L661 HydrophobicContact CG-CD1 3.41Å; P385-L661 VanDerWaalsContact CG-CD1 3.41Å; P385-L661 HydrophobicContact CG-CD2 3.28Å; P385-L661 HydrophobicContact CG-CG 3.72Å; V511-L661 PolarHBondContact N-O 3.19Å; L653-L661 HydrophobicContact CB-CD1 3.89Å; L653-L661 HydrophobicContact CD1-CD1 3.92Å; L653-L661 HydrophobicContact CD1-CD2 4.49Å; L658-L661 HydrophobicContact CB-CD1 3.68Å; L658-L661 HydrophobicContact CB-CD2 4.43Å; L658-L661 HydrophobicContact CB-CG 3.59Å; L658-L661 HydrophobicContact CD1-CD1 4.17Å; L658-L661 HydrophobicContact CG-CD1 4.48Å; L658-L661 PolarHBondContact O-N 2.94Å; S659-L661 PolarHBondContact O-N 2.91Å
662	R	77.4	Confident	73.5	Confident	25.6667 Å²	25.6667	49.7 Å²	49.7	10%	0.097	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.8	-178.4	-141.5	177.6	-100.1	-112.5	-2.6	111.4	S383 L451 V511 Y512 W581 N629 Q655 S660	S383-R662 PolarHBondContact OG-NH2 3.26Å; L451-R662 PolarHBondContact O-NH1 2.98Å; L451-R662 PolarHBondContact O-NH2 2.85Å; L451-R662 VanDerWaalsContact O-NH2 3.09Å; V511-R662 VanDerWaalsContact CG1-NH1 3.34Å; V511-R662 VanDerWaalsContact CG1-NH2 3.33Å; V511-R662 CarbonylContact O-C 3.53Å; V511-R662 VanDerWaalsContact O-CA 3.24Å; V511-R662 WeakPolarHBondContact O-CA 3.46Å; Y512-R662 VanDerWaalsContact C-CG 3.46Å; Y512-R662 WeakPolarHBondContact O-CD 3.42Å; Y512-R662 PolarHBondContact O-NH1 2.87Å; W581-R662 VanDerWaalsContact CG-CZ 3.41Å; W581-R662 VanDerWaalsContact CG-NH2 3.27Å; N629-R662 PolarHBondContact ND2-O 3.31Å; Q655-R662 PolarHBondContact NE2-O 3.2Å; S660-R662 PolarHBondContact O-N 3.06Å
663	Q	78.5	Confident	74	Confident	40.3333 Å²	40.3333	51.4 Å²	51.4	19%	0.188	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.1	179.9	-66	-61	-36.7	0	0	111.3	L510 V511 Y512 Q513	L510-Q663 HydrophobicContact CB-CG 4.43Å; L510-Q663 HydrophobicContact CD1-CG 4.37Å; L510-Q663 HydrophobicContact CD2-CG 4.1Å; V511-Q663 PolarHBondContact O-N 2.83Å; Y512-Q663 CarbonylContact C-O 3.59Å; Y512-Q663 WeakPolarHBondContact CA-O 3.3Å; Y512-Q663 HydrophobicContact CD1-CB 3.54Å; Y512-Q663 HydrophobicContact CD1-CG 4.39Å; Y512-Q663 HydrophobicContact CE1-CB 3.67Å; Y512-Q663 HydrophobicContact CE1-CG 4.12Å; Y512-Q663 HydrophobicContact CG-CB 4.25Å; Q513-Q663 PolarHBondContact N-O 3Å
664	P	81.3	Confident	75	Confident	25.6667 Å²	25.6667	55.1 Å²	55.1	17%	0.167	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-75.3	155.9	174.8	32.6	-35.2	0	0	0	111.9	S606 N629 L666 L668	S606-P664 WeakPolarHBondContact OG-CA 3.41Å; S606-P664 WeakPolarHBondContact OG-CB 3.28Å; N629-P664 WeakPolarHBondContact O-CB 3.36Å; N629-P664 WeakPolarHBondContact O-CG 3.41Å; P664-L666 HydrophobicContact CG-CD2 4.37Å; P664-L668 HydrophobicContact CB-CD2 3.68Å; P664-L668 HydrophobicContact CG-CD2 4.32Å
665	N	78.3	Confident	76.4	Confident	43 Å²	43	52.3 Å²	52.3	23%	0.23	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-87.5	101.4	165.1	-62.6	-41.6	0	0	0	109.7	W478 Q513 V515	W478-N665 PolarHBondContact NE1-OD1 2.86Å; Q513-N665 WeakPolarHBondContact CB-ND2 3.34Å; Q513-N665 PolarHBondContact O-ND2 3.12Å; V515-N665 WeakPolarHBondContact CG1-ND2 3.27Å
666	L	75.5	Confident	78.4	Confident	110 Å²	110	51.6 Å²	51.6	58%	0.576	29%	0.285	S	S	*	.	S	Bend	trans	-105.8	154.9	-176.8	-67	176.4	0	0	0	110.9	P664 L668	P664-L666 HydrophobicContact CG-CD2 4.37Å; L666-L668 HydrophobicContact CD2-CD1 3.2Å; L666-L668 HydrophobicContact CD2-CD2 4.27Å; L666-L668 HydrophobicContact CD2-CG 3.94Å
667	P	77.6	Confident	80.6	Confident	51 Å²	51	47.2 Å²	47.2	33%	0.331	25%	0.254	S	S	.	.	S	Bend	cis	-71.2	150	8.1	14.7	-13.5	0	0	0	112.8	K669 R693 E695	P667-K669 PolarHBondContact O-N 3.07Å; P667-R693 WeakPolarHBondContact CA-O 3.27Å; P667-R693 HydrophobicContact CB-CB 4.24Å; P667-R693 HydrophobicContact CB-CG 4.05Å; P667-R693 HydrophobicContact CG-CG 4.35Å; P667-E695 HydrophobicContact CB-CG 4.16Å; P667-E695 HydrophobicContact CG-CG 4.25Å; P667-E695 WeakPolarHBondContact CG-OE1 3.36Å
668	L	86.9	Confident	82.8	Confident	1.33333 Å²	1.33333	43.6 Å²	43.6	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.3	177	-69.4	115	0	0	0	110.1	N652 P664 L666 L692 R693 T694 E695	N652-L668 HydrophobicContact CB-CD1 3.5Å; N652-L668 HydrophobicContact CB-CD2 3.77Å; N652-L668 VanDerWaalsContact CG-CD1 3.49Å; N652-L668 WeakPolarHBondContact ND2-CD2 3.34Å; P664-L668 HydrophobicContact CB-CD2 3.68Å; P664-L668 HydrophobicContact CG-CD2 4.32Å; L666-L668 HydrophobicContact CD2-CD1 3.2Å; L666-L668 HydrophobicContact CD2-CD2 4.27Å; L666-L668 HydrophobicContact CD2-CG 3.94Å; L668-L692 HydrophobicContact CD1-CB 3.92Å; L668-L692 VanDerWaalsContact CD1-CB 3.41Å; L668-L692 HydrophobicContact CD1-CD1 3.69Å; L668-L692 HydrophobicContact CD1-CG 4.13Å; L668-L692 HydrophobicContact CD2-CB 4.26Å; L668-L692 HydrophobicContact CD2-CD1 3.75Å; L668-R693 PolarHBondContact N-O 3.01Å; L668-T694 HydrophobicContact CB-CG2 3.97Å; L668-T694 HydrophobicContact CD1-CG2 4.21Å; L668-T694 HydrophobicContact CG-CG2 4.47Å; L668-T694 CarbonylContact O-C 3.53Å; L668-T694 WeakPolarHBondContact O-CA 3.21Å; L668-E695 PolarHBondContact O-N 2.85Å
669	K	92.6	Very high	85	Confident	78.6667 Å²	78.6667	41.2 Å²	41.2	34%	0.342	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.5	179.7	-61.5	-167.9	-179.5	-155.1	0	111	G631 F632 K633 P667 E695	G631-K669 PolarHBondContact O-N 2.03Å; F632-K669 WeakPolarHBondContact CA-O 3.42Å; F632-K669 HydrophobicContact CB-CB 4.43Å; F632-K669 HydrophobicContact CD2-CB 3.45Å; F632-K669 VanDerWaalsContact CD2-CB 3.48Å; F632-K669 WeakPolarHBondContact CD2-O 3.29Å; F632-K669 HydrophobicContact CE2-CB 3.97Å; F632-K669 HydrophobicContact CG-CB 4.26Å; K633-K669 PolarHBondContact N-O 2.95Å; P667-K669 PolarHBondContact O-N 3.07Å; K669-E695 CarbonylContact C-O 3.55Å; K669-E695 VanDerWaalsContact CA-O 3.3Å; K669-E695 WeakPolarHBondContact CA-O 3.26Å; K669-E695 WeakPolarHBondContact CD-OE2 3.28Å; K669-E695 WeakPolarHBondContact CE-OE2 3.46Å; K669-E695 HydrophobicContact CG-CB 4.23Å; K669-E695 IonicContact NZ-OE2 3.59Å; K669-E695 PolarHBondContact NZ-OE2 3.17Å
670	T	95.4	Very high	87.1	Confident	1.33333 Å²	1.33333	36.6 Å²	36.6	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	115.2	173.3	-56.2	0	0	0	0	109.8	K633 I635 I650 V672 F687 E695 I696 L697	K633-T670 HydrophobicContact CB-CG2 4.14Å; K633-T670 CarbonylContact O-C 3.55Å; K633-T670 WeakPolarHBondContact O-CA 3.41Å; I635-T670 HydrophobicContact CD1-CG2 4.34Å; I650-T670 HydrophobicContact CD1-CG2 3.73Å; I650-T670 VanDerWaalsContact CD1-CG2 3.43Å; I650-T670 HydrophobicContact CG1-CG2 4.18Å; T670-V672 HydrophobicContact CG2-CG2 4.46Å; T670-F687 HydrophobicContact CG2-CE1 4.02Å; T670-E695 PolarHBondContact N-O 3.02Å; T670-I696 CarbonylContact O-C 3.57Å; T670-I696 WeakPolarHBondContact O-CA 3.27Å; T670-L697 PolarHBondContact O-N 3.25Å
671	H	97.3	Very high	88.7	Confident	43.6667 Å²	43.6667	39.2 Å²	39.2	20%	0.202	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.7	178.4	-71.2	-165.2	0	0	0	109.7	F632 K633 Q634 I635 H673 L697	F632-H671 HydrophobicContact CE2-CB 3.88Å; F632-H671 AromaticContact CE2-CD2 3.67Å; F632-H671 VanDerWaalsContact CE2-CD2 3.4Å; F632-H671 WeakPolarHBondContact CE2-CD2 3.25Å; F632-H671 AromaticContact CE2-CE1 3.86Å; F632-H671 AromaticContact CE2-CG 3.51Å; F632-H671 VanDerWaalsContact CE2-CG 3.44Å; F632-H671 AromaticContact CE2-ND1 3.75Å; F632-H671 AromaticContact CE2-NE2 3.92Å; F632-H671 HydrophobicContact CZ-CB 4.16Å; F632-H671 AromaticContact CZ-CD2 3.83Å; F632-H671 AromaticContact CZ-CE1 3.89Å; F632-H671 AromaticContact CZ-CG 3.78Å; F632-H671 AromaticContact CZ-ND1 3.59Å; F632-H671 AromaticContact CZ-NE2 3.99Å; K633-H671 PolarHBondContact O-N 3.03Å; Q634-H671 WeakPolarHBondContact CA-O 3.5Å; I635-H671 PolarHBondContact N-O 3.29Å; H671-H673 WeakPolarHBondContact CB-NE2 3.49Å; H671-H673 AromaticContact CG-NE2 3.62Å; H671-H673 AromaticContact ND1-NE2 3.21Å; H671-H673 PolarHBondContact ND1-NE2 3.37Å; H671-L697 CarbonylContact C-O 3.57Å; H671-L697 VanDerWaalsContact CA-O 3.29Å; H671-L697 WeakPolarHBondContact CA-O 3.42Å
672	V	97.7	Very high	89.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.4	171.4	-174.7	0	0	0	0	108	I635 L648 T670 F677 I685 L697 I698 N699 T701	I635-V672 HydrophobicContact CB-CG2 4.4Å; I635-V672 HydrophobicContact CD1-CG2 4.31Å; I635-V672 CarbonylContact O-C 3.53Å; I635-V672 WeakPolarHBondContact O-CA 3.31Å; L648-V672 HydrophobicContact CD2-CG2 3.88Å; T670-V672 HydrophobicContact CG2-CG2 4.46Å; V672-F677 HydrophobicContact CG1-CE2 4.08Å; V672-F677 HydrophobicContact CG1-CZ 4.36Å; V672-I685 HydrophobicContact CG1-CD1 4.28Å; V672-L697 PolarHBondContact N-O 2.87Å; V672-I698 HydrophobicContact CB-CG1 4.21Å; V672-I698 HydrophobicContact CB-CG2 4.4Å; V672-I698 HydrophobicContact CG2-CG1 4.38Å; V672-I698 CarbonylContact O-C 3.11Å; V672-I698 VanDerWaalsContact O-CA 3.3Å; V672-I698 WeakPolarHBondContact O-CA 3.23Å; V672-N699 PolarHBondContact O-N 3.01Å; V672-N699 PolarHBondContact O-OD1 3.11Å; V672-T701 HydrophobicContact CG1-CG2 4.47Å
673	H	96.2	Very high	90.5	Very high	43.3333 Å²	43.3333	38.4 Å²	38.4	20%	0.201	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148	-175.4	-123.6	48.5	0	0	0	113	I635 N636 N637 H671 S675 N699 F700	I635-H673 PolarHBondContact O-N 3.21Å; N636-H673 VanDerWaalsContact CA-O 3.27Å; N636-H673 WeakPolarHBondContact CA-O 3.43Å; N636-H673 WeakPolarHBondContact CB-CE1 3.44Å; N636-H673 WeakPolarHBondContact OD1-CB 3.31Å; N637-H673 PolarHBondContact N-O 3.05Å; N637-H673 VanDerWaalsContact N-O 3.1Å; H671-H673 WeakPolarHBondContact CB-NE2 3.49Å; H671-H673 AromaticContact CG-NE2 3.62Å; H671-H673 AromaticContact ND1-NE2 3.21Å; H671-H673 PolarHBondContact ND1-NE2 3.37Å; H673-S675 PolarHBondContact O-N 3.28Å; H673-S675 PolarHBondContact O-OG 3.01Å; H673-N699 WeakPolarHBondContact CA-O 3.3Å; H673-N699 HydrophobicContact CB-CB 4.43Å; H673-N699 VanDerWaalsContact CB-O 3.27Å; H673-N699 WeakPolarHBondContact CB-O 3.14Å; H673-N699 WeakPolarHBondContact CB-OD1 3.45Å; H673-N699 VanDerWaalsContact ND1-CG 3.27Å; H673-N699 PolarHBondContact ND1-ND2 2.78Å; H673-N699 PolarHBondContact ND1-OD1 2.86Å; H673-F700 AromaticContact CE1-CD2 3.28Å; H673-F700 WeakPolarHBondContact CE1-CD2 3.36Å; H673-F700 AromaticContact CE1-CE2 3.96Å; H673-F700 AromaticContact CE1-CG 3.97Å; H673-F700 AromaticContact ND1-CD2 3.61Å
674	L	97.1	Very high	91.3	Very high	92.6667 Å²	92.6667	36.5 Å²	36.5	49%	0.485	18%	0.183	S	C	.	.	S	Bend	trans	51.6	29.9	173.3	-62.5	169.8	0	0	0	113.7	N637 N699 F700	N637-L674 VanDerWaalsContact CA-O 3.27Å; N637-L674 WeakPolarHBondContact CA-O 3.32Å; N637-L674 PolarHBondContact N-O 3.38Å; N637-L674 WeakPolarHBondContact OD1-CB 3.29Å; L674-N699 PolarHBondContact N-O 3.08Å; L674-F700 VanDerWaalsContact CA-O 3.24Å; L674-F700 WeakPolarHBondContact CA-O 3.3Å; L674-F700 HydrophobicContact CD2-CB 3.75Å; L674-F700 HydrophobicContact CD2-CG 4.44Å; L674-F700 HydrophobicContact CG-CB 4.35Å; L674-F700 PolarHBondContact N-O 2.84Å
675	S	98	Very high	92.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.			trans	-110.2	154.9	-172.3	-64.5	0	0	0	0	111.3	N637 S638 H673 T701 Y702	N637-S675 PolarHBondContact N-OG 3.29Å; S638-S675 PolarHBondContact N-OG 2.98Å; S638-S675 CarbonylContact O-C 3.47Å; S638-S675 VanDerWaalsContact O-CA 3.3Å; S638-S675 WeakPolarHBondContact O-CA 3.46Å; S638-S675 VanDerWaalsContact O-CB 3.31Å; S638-S675 WeakPolarHBondContact O-CB 3.33Å; H673-S675 PolarHBondContact O-N 3.28Å; H673-S675 PolarHBondContact O-OG 3.01Å; S675-T701 WeakPolarHBondContact O-CA 3.3Å; S675-T701 WeakPolarHBondContact O-CG2 3.21Å; S675-Y702 PolarHBondContact O-N 3.25Å
676	N	98.2	Very high	92.9	Very high	72.3333 Å²	72.3333	34.6 Å²	34.6	39%	0.387	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.1	-175.9	-69.6	-14.3	0	0	0	110.3	S638 L639 F640 Y702	S638-N676 PolarHBondContact O-N 3.14Å; L639-N676 HydrophobicContact CD1-CB 3.75Å; F640-N676 PolarHBondContact N-O 2.92Å; N676-Y702 WeakPolarHBondContact CA-O 3.14Å; N676-Y702 WeakPolarHBondContact OD1-CB 3.43Å
677	F	98.4	Very high	93.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	107.9	177	-68.9	-95.9	0	0	0	109.9	F640 L648 V672 A684 I685 T701 Y702 F703 F704 N706	F640-F677 HydrophobicContact CB-CD1 3.54Å; F640-F677 HydrophobicContact CB-CE1 3.79Å; F640-F677 HydrophobicContact CB-CG 4.23Å; F640-F677 HydrophobicContact CD1-CE1 4.11Å; F640-F677 AromaticContact CD2-CD1 3.81Å; F640-F677 HydrophobicContact CD2-CD1 3.81Å; F640-F677 HydrophobicContact CD2-CD2 4.44Å; F640-F677 AromaticContact CD2-CE1 3.28Å; F640-F677 HydrophobicContact CD2-CE1 3.28Å; F640-F677 AromaticContact CD2-CE2 3.97Å; F640-F677 HydrophobicContact CD2-CE2 3.98Å; F640-F677 HydrophobicContact CD2-CG 4.35Å; F640-F677 AromaticContact CD2-CZ 3.37Å; F640-F677 HydrophobicContact CD2-CZ 3.37Å; F640-F677 AromaticContact CE2-CE1 3.82Å; F640-F677 HydrophobicContact CE2-CE1 3.82Å; F640-F677 HydrophobicContact CE2-CE2 4.31Å; F640-F677 AromaticContact CE2-CZ 3.57Å; F640-F677 HydrophobicContact CE2-CZ 3.57Å; F640-F677 AromaticContact CG-CD1 3.77Å; F640-F677 HydrophobicContact CG-CD1 3.77Å; F640-F677 AromaticContact CG-CE1 3.44Å; F640-F677 HydrophobicContact CG-CE1 3.44Å; F640-F677 VanDerWaalsContact CG-CE1 3.44Å; F640-F677 HydrophobicContact CG-CZ 4.05Å; F640-F677 HydrophobicContact CZ-CE1 4.42Å; F640-F677 HydrophobicContact CZ-CZ 4.37Å; F640-F677 WeakPolarHBondContact O-CA 3.34Å; L648-F677 HydrophobicContact CB-CE1 3.79Å; L648-F677 HydrophobicContact CB-CZ 4.1Å; L648-F677 HydrophobicContact CD2-CZ 4.33Å; V672-F677 HydrophobicContact CG1-CE2 4.08Å; V672-F677 HydrophobicContact CG1-CZ 4.36Å; F677-A684 HydrophobicContact CB-CB 3.78Å; F677-A684 HydrophobicContact CD1-CB 3.93Å; F677-A684 WeakPolarHBondContact CD1-O 3.32Å; F677-A684 WeakPolarHBondContact CE1-O 3.25Å; F677-A684 HydrophobicContact CG-CB 4.1Å; F677-I685 HydrophobicContact CD1-CG1 4.09Å; F677-I685 HydrophobicContact CD2-CD1 4.34Å; F677-I685 HydrophobicContact CD2-CG1 4.47Å; F677-I685 HydrophobicContact CE1-CD1 4.19Å; F677-I685 HydrophobicContact CE1-CG1 3.59Å; F677-I685 HydrophobicContact CE2-CD1 3.72Å; F677-I685 HydrophobicContact CE2-CG1 4.04Å; F677-I685 HydrophobicContact CG-CG1 4.46Å; F677-I685 HydrophobicContact CZ-CD1 3.63Å; F677-I685 HydrophobicContact CZ-CG1 3.56Å; F677-T701 HydrophobicContact CD2-CG2 3.75Å; F677-T701 HydrophobicContact CE2-CG2 3.83Å; F677-Y702 PolarHBondContact N-O 2.88Å; F677-F703 HydrophobicContact CB-CD1 3.65Å; F677-F703 HydrophobicContact CB-CE1 3.98Å; F677-F703 HydrophobicContact CB-CG 4.46Å; F677-F703 HydrophobicContact CD2-CD1 4.14Å; F677-F703 AromaticContact CD2-CE1 3.67Å; F677-F703 HydrophobicContact CD2-CE1 3.67Å; F677-F703 HydrophobicContact CD2-CZ 4.13Å; F677-F703 HydrophobicContact CE2-CE1 4.34Å; F677-F703 HydrophobicContact CE2-CZ 4.47Å; F677-F703 HydrophobicContact CG-CD1 4.06Å; F677-F703 AromaticContact CG-CE1 3.85Å; F677-F703 HydrophobicContact CG-CE1 3.85Å; F677-F703 WeakPolarHBondContact O-CA 3.34Å; F677-F704 PolarHBondContact O-N 2.9Å; F677-N706 PolarHBondContact O-ND2 2.89Å
678	T	96.9	Very high	94.2	Very high	20 Å²	20	31.3 Å²	31.3	12%	0.123	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.9	-168.7	60.2	0	0	0	0	112.6	F640 H641 N642 N680 Y702 F704	F640-T678 PolarHBondContact O-N 2.55Å; F640-T678 PolarHBondContact O-OG1 2.88Å; H641-T678 VanDerWaalsContact CA-O 3.29Å; H641-T678 WeakPolarHBondContact CA-O 3.39Å; H641-T678 WeakPolarHBondContact CB-OG1 3.38Å; H641-T678 PolarHBondContact ND1-O 2.78Å; H641-T678 PolarHBondContact ND1-OG1 2.58Å; N642-T678 PolarHBondContact N-O 2.94Å; T678-N680 PolarHBondContact N-ND2 3Å; T678-N680 PolarHBondContact O-N 3.12Å; T678-N680 VanDerWaalsContact O-N 3.09Å; T678-N680 PolarHBondContact O-ND2 3Å; T678-Y702 HydrophobicContact CG2-CD1 4.46Å; T678-F704 VanDerWaalsContact CA-O 3.28Å; T678-F704 WeakPolarHBondContact CA-O 3.36Å; T678-F704 HydrophobicContact CG2-CB 4.19Å
679	E	94.1	Very high	93.7	Very high	58 Å²	58	34 Å²	34	27%	0.271	16%	0.158	S	C	.	.	S	Bend	trans	54.8	28.1	171.9	-58.9	-176.3	169.9	0	0	114.8	H641 N642 F704 K705	H641-E679 IonicContact CE1-OE2 2.9Å; N642-E679 VanDerWaalsContact CA-O 3.31Å; N642-E679 WeakPolarHBondContact CA-O 3.27Å; N642-E679 PolarHBondContact ND2-OE2 2.92Å; N642-E679 VanDerWaalsContact ND2-OE2 3.07Å; N642-E679 WeakPolarHBondContact OD1-CB 3.38Å; N642-E679 PolarHBondContact OD1-O 2.98Å; N642-E679 PolarHBondContact OD1-OE2 3.38Å; E679-F704 PolarHBondContact N-O 3.07Å; E679-K705 WeakPolarHBondContact CA-O 3.32Å; E679-K705 HydrophobicContact CG-CB 3.9Å; E679-K705 HydrophobicContact CG-CD 4.05Å; E679-K705 WeakPolarHBondContact OE1-CD 3.3Å; E679-K705 IonicContact OE1-NZ 2.9Å; E679-K705 PolarHBondContact OE1-NZ 3.28Å
680	N	93.1	Very high	92.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.			trans	-73.6	141	173.4	-58.1	-79.3	0	0	0	110.1	F640 N643 T678 N706 H707	F640-N680 PolarHBondContact O-ND2 3.03Å; F640-N680 VanDerWaalsContact O-ND2 3.08Å; N643-N680 WeakPolarHBondContact CB-OD1 3.37Å; N643-N680 PolarHBondContact N-OD1 3.27Å; N643-N680 PolarHBondContact ND2-OD1 2.83Å; T678-N680 PolarHBondContact N-ND2 3Å; T678-N680 PolarHBondContact O-N 3.12Å; T678-N680 VanDerWaalsContact O-N 3.09Å; T678-N680 PolarHBondContact O-ND2 3Å; N680-N706 WeakPolarHBondContact CB-OD1 3.36Å; N680-N706 PolarHBondContact N-OD1 3.14Å; N680-N706 VanDerWaalsContact N-OD1 3.13Å; N680-N706 PolarHBondContact ND2-OD1 2.85Å; N680-N706 WeakPolarHBondContact O-CA 3.49Å; N680-H707 PolarHBondContact O-N 3.22Å
681	Y	87.1	Confident	92.1	Very high	80 Å²	80	31.6 Å²	31.6	31%	0.314	15%	0.151	S	C	.	.	S	Bend	trans	-76.1	-31.2	-170.5	-109.9	-109.7	0	0	0	113.4	N642 N643 Y644 G645 H707 R708 Q1095 Y1180	N642-Y681 VanDerWaalsContact OD1-CE2 3.27Å; N642-Y681 WeakPolarHBondContact OD1-CE2 3.32Å; N643-Y681 WeakPolarHBondContact O-CD2 3.38Å; N643-Y681 PolarHBondContact O-N 3.17Å; Y644-Y681 HydrophobicContact CD1-CD2 4.21Å; Y644-Y681 HydrophobicContact CD1-CE2 4.24Å; Y644-Y681 HydrophobicContact CE1-CE2 4.33Å; Y644-Y681 VanDerWaalsContact O-CB 3.3Å; Y644-Y681 WeakPolarHBondContact O-CB 3.25Å; Y644-Y681 WeakPolarHBondContact O-CD1 3.39Å; G645-Y681 PolarHBondContact O-N 2.88Å; Y681-H707 HydrophobicContact CD2-CB 4.22Å; Y681-H707 WeakPolarHBondContact O-CB 3.23Å; Y681-R708 WeakPolarHBondContact O-CG 3.08Å; Y681-Q1095 PolarHBondContact OH-NE2 2.91Å; Y681-Y1180 WeakPolarHBondContact OH-CD2 3.41Å
682	H	87.7	Confident	91.3	Very high	44.3333 Å²	44.3333	30.9 Å²	30.9	21%	0.205	15%	0.149	C	C	.	.	S	Bend	trans	-109.1	-154.3	171.6	-67.7	-131.4	0	0	0	110.6	Y644 G645 H646 A684 R708 E1177	Y644-H682 PolarHBondContact O-CD2 2.99Å; G645-H682 WeakPolarHBondContact O-CB 3.32Å; G645-H682 PolarHBondContact O-N 2.99Å; H646-H682 VanDerWaalsContact CE1-CB 3.44Å; H646-H682 WeakPolarHBondContact CE1-CB 3.32Å; H646-H682 AromaticContact CE1-ND1 3.98Å; H646-H682 WeakPolarHBondContact ND1-CB 3.34Å; H646-H682 AromaticContact NE2-ND1 3.77Å; H682-A684 PolarHBondContact O-N 3.1Å; H682-R708 PolarHBondContact CD2-NH1 2.96Å; H682-R708 PolarHBondContact CE1-NH1 3.32Å; H682-R708 VanDerWaalsContact CE1-NH1 3.33Å; H682-R708 PolarHBondContact ND1-NH1 3.28Å; H682-R708 PolarHBondContact NE2-NH1 3.43Å; H682-E1177 IonicContact CE1-OE1 3.34Å
683	D	91.9	Very high	90.7	Very high	0.666667 Å²	0.666667	37.2 Å²	37.2	0%	0.004	17%	0.173	C	C	.	.			trans	-63.3	133.6	180	-54.4	-34.8	0	0	0	110.7	H646 G647 R686 N709 R712	H646-D683 VanDerWaalsContact CA-O 3.27Å; H646-D683 WeakPolarHBondContact CA-O 3.33Å; H646-D683 WeakPolarHBondContact CB-O 3.35Å; H646-D683 IonicContact CE1-OD2 3.25Å; H646-D683 PolarHBondContact ND1-N 3.09Å; H646-D683 PolarHBondContact ND1-O 3.19Å; G647-D683 PolarHBondContact N-O 3.11Å; D683-R686 HydrophobicContact CB-CB 4.45Å; D683-R686 IonicContact OD2-CZ 3.24Å; D683-R686 IonicContact OD2-NE 3.36Å; D683-R686 PolarHBondContact OD2-NE 3.05Å; D683-R686 IonicContact OD2-NH2 3.11Å; D683-R686 PolarHBondContact OD2-NH2 3.17Å; D683-N709 CarbonylContact C-O 3.53Å; D683-N709 WeakPolarHBondContact CA-O 3.32Å; D683-N709 VanDerWaalsContact OD1-CB 3.32Å; D683-N709 WeakPolarHBondContact OD1-CB 3.39Å; D683-N709 PolarHBondContact OD1-N 3.04Å; D683-N709 VanDerWaalsContact OD1-N 3.17Å; D683-N709 PolarHBondContact OD1-ND2 3.26Å; D683-R712 HydrophobicContact CB-CB 4.43Å; D683-R712 WeakPolarHBondContact OD2-CD 3.36Å
684	A	96	Very high	90.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-65.2	-45.4	-179.7	0	0	0	0	0	111.9	G647 L648 F677 H682 F703 N706 N709 A710	G647-A684 CarbonylContact C-O 3.47Å; G647-A684 WeakPolarHBondContact CA-O 3.19Å; G647-A684 PolarHBondContact N-O 3.05Å; G647-A684 VanDerWaalsContact N-O 3.13Å; L648-A684 PolarHBondContact N-O 3.17Å; F677-A684 HydrophobicContact CB-CB 3.78Å; F677-A684 HydrophobicContact CD1-CB 3.93Å; F677-A684 WeakPolarHBondContact CD1-O 3.32Å; F677-A684 WeakPolarHBondContact CE1-O 3.25Å; F677-A684 HydrophobicContact CG-CB 4.1Å; H682-A684 PolarHBondContact O-N 3.1Å; A684-F703 HydrophobicContact CB-CD1 3.96Å; A684-F703 HydrophobicContact CB-CE1 4.15Å; A684-N706 HydrophobicContact CB-CB 4.31Å; A684-N709 PolarHBondContact N-O 3.28Å; A684-A710 CarbonylContact C-O 3.58Å; A684-A710 WeakPolarHBondContact CA-O 3.23Å; A684-A710 WeakPolarHBondContact CB-O 3.39Å; A684-A710 PolarHBondContact N-O 3.17Å
685	I	97.6	Very high	90.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.6	169.6	-53.7	176	0	0	0	109.6	L648 V672 F677 F687 I698 F703 A710 I711 R712	L648-I685 HydrophobicContact CB-CG1 4.26Å; L648-I685 HydrophobicContact CB-CG2 4.41Å; L648-I685 HydrophobicContact CD2-CG1 4.49Å; L648-I685 HydrophobicContact CD2-CG2 4.25Å; L648-I685 HydrophobicContact CG-CG2 4.33Å; L648-I685 CarbonylContact O-C 3.54Å; L648-I685 VanDerWaalsContact O-CA 3.32Å; L648-I685 WeakPolarHBondContact O-CA 3.33Å; V672-I685 HydrophobicContact CG1-CD1 4.28Å; F677-I685 HydrophobicContact CD1-CG1 4.09Å; F677-I685 HydrophobicContact CD2-CD1 4.34Å; F677-I685 HydrophobicContact CD2-CG1 4.47Å; F677-I685 HydrophobicContact CE1-CD1 4.19Å; F677-I685 HydrophobicContact CE1-CG1 3.59Å; F677-I685 HydrophobicContact CE2-CD1 3.72Å; F677-I685 HydrophobicContact CE2-CG1 4.04Å; F677-I685 HydrophobicContact CG-CG1 4.46Å; F677-I685 HydrophobicContact CZ-CD1 3.63Å; F677-I685 HydrophobicContact CZ-CG1 3.56Å; I685-F687 HydrophobicContact CB-CE2 4.37Å; I685-F687 HydrophobicContact CG2-CD2 3.99Å; I685-F687 HydrophobicContact CG2-CE1 4.47Å; I685-F687 HydrophobicContact CG2-CE2 3.37Å; I685-F687 VanDerWaalsContact CG2-CE2 3.43Å; I685-F687 HydrophobicContact CG2-CZ 3.68Å; I685-I698 HydrophobicContact CD1-CD1 4.14Å; I685-F703 HydrophobicContact CD1-CE1 3.78Å; I685-F703 HydrophobicContact CD1-CZ 3.66Å; I685-F703 HydrophobicContact CG1-CE1 3.99Å; I685-F703 HydrophobicContact CG1-CZ 4.37Å; I685-A710 PolarHBondContact N-O 3.03Å; I685-I711 HydrophobicContact CB-CG1 4.39Å; I685-I711 HydrophobicContact CD1-CG1 4.49Å; I685-I711 CarbonylContact O-C 3.55Å; I685-I711 WeakPolarHBondContact O-CA 3.27Å; I685-R712 PolarHBondContact O-N 3.11Å
686	R	94.9	Very high	90	Very high	29.6667 Å²	29.6667	34.1 Å²	34.1	11%	0.112	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.1	174.6	-174.1	177.4	-82.3	-171.7	-5.4	111.4	H646 L648 V649 I650 D683 Y688 R712 Y714	H646-R686 PolarHBondContact CE1-NE 2.94Å; H646-R686 VanDerWaalsContact CE1-NE 3.32Å; H646-R686 PolarHBondContact CE1-NH1 3.45Å; H646-R686 PolarHBondContact CE1-NH2 3.03Å; H646-R686 VanDerWaalsContact NE2-CZ 3.32Å; H646-R686 PolarHBondContact NE2-NH1 2.92Å; H646-R686 VanDerWaalsContact NE2-NH1 3.16Å; L648-R686 PolarHBondContact O-N 3.02Å; V649-R686 WeakPolarHBondContact CA-O 3.36Å; I650-R686 PolarHBondContact N-O 3.15Å; D683-R686 HydrophobicContact CB-CB 4.45Å; D683-R686 IonicContact OD2-CZ 3.24Å; D683-R686 IonicContact OD2-NE 3.36Å; D683-R686 PolarHBondContact OD2-NE 3.05Å; D683-R686 IonicContact OD2-NH2 3.11Å; D683-R686 PolarHBondContact OD2-NH2 3.17Å; R686-Y688 VanDerWaalsContact CD-OH 3.28Å; R686-Y688 WeakPolarHBondContact CD-OH 3.21Å; R686-Y688 HydrophobicContact CG-CD2 4.25Å; R686-Y688 HydrophobicContact CG-CE2 3.91Å; R686-Y688 PolarHBondContact NH1-OH 2.96Å; R686-R712 WeakPolarHBondContact CA-O 3.42Å; R686-R712 HydrophobicContact CG-CB 4.36Å; R686-R712 HydrophobicContact CG-CG 4.48Å; R686-Y714 HydrophobicContact CG-CD2 4.47Å; R686-Y714 HydrophobicContact CG-CE2 4.14Å
687	F	93.3	Very high	90	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117.6	171.9	-61.8	-85.2	0	0	0	110	I650 T670 I685 I696 I698 I711 R712 V713 Y714 F727	I650-F687 HydrophobicContact CB-CD1 3.88Å; I650-F687 HydrophobicContact CB-CE1 4.12Å; I650-F687 HydrophobicContact CD1-CE1 3.97Å; I650-F687 HydrophobicContact CG1-CD1 4.13Å; I650-F687 HydrophobicContact CG1-CE1 4.15Å; I650-F687 HydrophobicContact CG2-CD1 4.25Å; I650-F687 HydrophobicContact CG2-CE1 4.37Å; I650-F687 WeakPolarHBondContact O-CA 3.37Å; T670-F687 HydrophobicContact CG2-CE1 4.02Å; I685-F687 HydrophobicContact CB-CE2 4.37Å; I685-F687 HydrophobicContact CG2-CD2 3.99Å; I685-F687 HydrophobicContact CG2-CE1 4.47Å; I685-F687 HydrophobicContact CG2-CE2 3.37Å; I685-F687 VanDerWaalsContact CG2-CE2 3.43Å; I685-F687 HydrophobicContact CG2-CZ 3.68Å; F687-I696 HydrophobicContact CB-CD1 4.42Å; F687-I696 HydrophobicContact CD1-CD1 3.67Å; F687-I696 HydrophobicContact CD1-CG1 4.33Å; F687-I696 HydrophobicContact CD1-CG2 4.37Å; F687-I696 HydrophobicContact CD2-CD1 4.42Å; F687-I696 HydrophobicContact CE1-CD1 3.98Å; F687-I696 HydrophobicContact CE1-CG1 4.2Å; F687-I696 HydrophobicContact CE1-CG2 3.69Å; F687-I696 HydrophobicContact CE2-CG2 3.96Å; F687-I696 HydrophobicContact CG-CD1 3.95Å; F687-I696 HydrophobicContact CZ-CD1 4.45Å; F687-I696 HydrophobicContact CZ-CG2 3.42Å; F687-I696 VanDerWaalsContact CZ-CG2 3.46Å; F687-I698 HydrophobicContact CE2-CD1 3.92Å; F687-I698 HydrophobicContact CZ-CD1 4.13Å; F687-I711 HydrophobicContact CD2-CG2 4.42Å; F687-I711 HydrophobicContact CE2-CG2 4.29Å; F687-R712 PolarHBondContact N-O 3.01Å; F687-V713 HydrophobicContact CB-CG1 4.42Å; F687-V713 HydrophobicContact CD2-CG2 4.01Å; F687-Y714 VanDerWaalsContact O-CD2 3.3Å; F687-Y714 WeakPolarHBondContact O-CD2 3.2Å; F687-Y714 PolarHBondContact O-N 2.99Å; F687-F727 HydrophobicContact CE2-CE2 4.49Å
688	Y	86.7	Confident	89.9	Confident	83.3333 Å²	83.3333	32.8 Å²	32.8	33%	0.327	15%	0.149	S	C	.	.			trans	-86	158.7	177.4	-76.9	-87.6	0	0	0	112.8	V649 I650 W651 R686 S690 Y714	V649-Y688 HydrophobicContact CG1-CD2 3.89Å; V649-Y688 HydrophobicContact CG1-CE2 3.64Å; V649-Y688 VanDerWaalsContact CG1-CE2 3.45Å; I650-Y688 PolarHBondContact O-N 3.13Å; W651-Y688 HydrophobicContact CB-CD2 4.12Å; W651-Y688 HydrophobicContact CB-CG 4.28Å; W651-Y688 VanDerWaalsContact CD1-CB 3.46Å; W651-Y688 HydrophobicContact CG-CD2 4.49Å; W651-Y688 HydrophobicContact CG-CG 4.28Å; R686-Y688 VanDerWaalsContact CD-OH 3.28Å; R686-Y688 WeakPolarHBondContact CD-OH 3.21Å; R686-Y688 HydrophobicContact CG-CD2 4.25Å; R686-Y688 HydrophobicContact CG-CE2 3.91Å; R686-Y688 PolarHBondContact NH1-OH 2.96Å; Y688-S690 PolarHBondContact O-N 2.89Å; Y688-Y714 AromaticContact CD1-CD2 3.76Å; Y688-Y714 HydrophobicContact CD1-CD2 3.76Å; Y688-Y714 AromaticContact CD1-CE2 3.93Å; Y688-Y714 HydrophobicContact CD1-CE2 3.93Å; Y688-Y714 HydrophobicContact CD1-CG 4.49Å; Y688-Y714 HydrophobicContact CE1-CD2 4.08Å; Y688-Y714 AromaticContact CE1-CE2 3.74Å; Y688-Y714 HydrophobicContact CE1-CE2 3.74Å; Y688-Y714 HydrophobicContact CG-CD2 4.22Å
689	N	77.4	Confident	89.9	Confident	59.3333 Å²	59.3333	33.2 Å²	33.2	32%	0.317	15%	0.151	S	C	.	.			trans	-50	110	175.3	-178.5	8.4	0	0	0	111.5	W651 C691 S715 C716	W651-N689 PolarHBondContact NE1-O 2.91Å; N689-C691 PolarHBondContact OD1-N 3.2Å; N689-C691 PolarHBondContact OD1-SG 3.25Å; N689-C691 VanDerWaalsContact OD1-SG 3.32Å; N689-S715 WeakPolarHBondContact CB-O 3.18Å; N689-S715 PolarHBondContact ND2-O 3.23Å; N689-S715 PolarHBondContact OD1-O 3.34Å; N689-C716 WeakPolarHBondContact OD1-CA 3.21Å; N689-C716 WeakPolarHBondContact OD1-CB 3.41Å; N689-C716 PolarHBondContact OD1-SG 3.44Å; N689-C716 VanDerWaalsContact OD1-SG 3.32Å
690	S	74	Confident	90.1	Very high	9.66667 Å²	9.66667	35.6 Å²	35.6	7%	0.068	16%	0.16	C	C	.	.			trans	-119.4	81.6	175.6	22.3	0	0	0	0	110.6	N652 Y688 L692 C716	N652-S690 WeakPolarHBondContact CA-OG 3.15Å; N652-S690 WeakPolarHBondContact CB-OG 3.39Å; N652-S690 PolarHBondContact N-OG 2.94Å; N652-S690 WeakPolarHBondContact ND2-CB 3.28Å; N652-S690 WeakPolarHBondContact O-CA 3.22Å; N652-S690 WeakPolarHBondContact O-CB 3.46Å; N652-S690 PolarHBondContact O-OG 3.4Å; Y688-S690 PolarHBondContact O-N 2.89Å; S690-L692 VanDerWaalsContact C-N 3.31Å; S690-L692 PolarHBondContact O-N 3.37Å; S690-C716 WeakPolarHBondContact O-CB 3.23Å
691	C	79.8	Confident	90.3	Very high	19 Å²	19	35.8 Å²	35.8	13%	0.128	16%	0.161	C	C	.	.			trans	-58.8	51.2	-178.8	-70.4	0	0	0	0	112.5	N654 N689 C716 L717 C718 M723	N654-C691 PolarHBondContact OD1-N 3.07Å; N654-C691 VanDerWaalsContact OD1-N 3.07Å; N689-C691 PolarHBondContact OD1-N 3.2Å; N689-C691 PolarHBondContact OD1-SG 3.25Å; N689-C691 VanDerWaalsContact OD1-SG 3.32Å; C691-C716 WeakPolarHBondContact CA-SG 3.44Å; C691-C716 HydrophobicContact CB-CB 4.05Å; C691-C716 WeakPolarHBondContact CB-SG 3.43Å; C691-C716 VanDerWaalsContact SG-CA 3.55Å; C691-C716 WeakPolarHBondContact SG-CA 3.39Å; C691-C716 WeakPolarHBondContact SG-CB 3.1Å; C691-C716 CovalentContact SG-SG 2.04Å; C691-C716 PolarHBondContact SG-SG 3.28Å; C691-L717 PolarHBondContact SG-N 3.23Å; C691-C718 HydrophobicContact CB-CB 4.15Å; C691-C718 VanDerWaalsContact CB-SG 3.6Å; C691-C718 WeakPolarHBondContact CB-SG 3.15Å; C691-C718 VanDerWaalsContact SG-CB 3.58Å; C691-C718 PolarHBondContact SG-SG 3.18Å; C691-M723 HydrophobicContact CB-SD 4.09Å; C691-M723 WeakPolarHBondContact O-CE 3.32Å; C691-M723 VanDerWaalsContact O-SD 3.39Å
692	L	80.9	Confident	90.8	Very high	29 Å²	29	35.5 Å²	35.5	15%	0.152	16%	0.16	C	C	.	.	S	Bend	trans	-132	146.6	177.3	-63.9	172.2	0	0	0	107.9	N652 L668 S690 T694	N652-L692 HydrophobicContact CB-CD1 4.12Å; L668-L692 HydrophobicContact CD1-CB 3.92Å; L668-L692 VanDerWaalsContact CD1-CB 3.41Å; L668-L692 HydrophobicContact CD1-CD1 3.69Å; L668-L692 HydrophobicContact CD1-CG 4.13Å; L668-L692 HydrophobicContact CD2-CB 4.26Å; L668-L692 HydrophobicContact CD2-CD1 3.75Å; S690-L692 VanDerWaalsContact C-N 3.31Å; S690-L692 PolarHBondContact O-N 3.37Å; L692-T694 VanDerWaalsContact O-CG2 3.31Å; L692-T694 WeakPolarHBondContact O-CG2 3.39Å; L692-T694 PolarHBondContact O-N 3Å; L692-T694 PolarHBondContact O-OG1 3Å
693	R	85.7	Confident	91.3	Very high	132.667 Å²	132.667	33.4 Å²	33.4	50%	0.501	15%	0.15	S	C	.	.			trans	-60.6	111.5	174.1	-173.3	178.7	-154.8	-158.1	1.8	109.7	P667 L668 N722 M723	P667-R693 WeakPolarHBondContact CA-O 3.27Å; P667-R693 HydrophobicContact CB-CB 4.24Å; P667-R693 HydrophobicContact CB-CG 4.05Å; P667-R693 HydrophobicContact CG-CG 4.35Å; L668-R693 PolarHBondContact N-O 3.01Å; R693-N722 VanDerWaalsContact CZ-O 3.26Å; R693-N722 PolarHBondContact NE-O 3.02Å; R693-N722 PolarHBondContact NH2-O 3.28Å; R693-M723 HydrophobicContact CB-SD 4.38Å
694	T	88.9	Confident	91.6	Very high	6.33333 Å²	6.33333	35.6 Å²	35.6	4%	0.039	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.6	-170.2	-41.7	0	0	0	0	111.3	L668 L692 I696 I724 T725 N726	L668-T694 HydrophobicContact CB-CG2 3.97Å; L668-T694 HydrophobicContact CD1-CG2 4.21Å; L668-T694 HydrophobicContact CG-CG2 4.47Å; L668-T694 CarbonylContact O-C 3.53Å; L668-T694 WeakPolarHBondContact O-CA 3.21Å; L692-T694 VanDerWaalsContact O-CG2 3.31Å; L692-T694 WeakPolarHBondContact O-CG2 3.39Å; L692-T694 PolarHBondContact O-N 3Å; L692-T694 PolarHBondContact O-OG1 3Å; T694-I696 HydrophobicContact CG2-CD1 4.26Å; T694-I696 HydrophobicContact CG2-CG1 3.82Å; T694-I724 PolarHBondContact N-O 3Å; T694-T725 HydrophobicContact CG2-CG2 3.87Å; T694-T725 WeakPolarHBondContact CG2-OG1 3.45Å; T694-T725 CarbonylContact O-C 3.55Å; T694-T725 WeakPolarHBondContact O-CA 3.43Å; T694-T725 PolarHBondContact OG1-OG1 2.93Å; T694-N726 PolarHBondContact O-N 2.84Å
695	E	92.8	Very high	91.4	Very high	58 Å²	58	39.7 Å²	39.7	27%	0.271	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.9	172.8	-146.5	-179.3	178.5	0	0	108.3	P667 L668 K669 T670 N726	P667-E695 HydrophobicContact CB-CG 4.16Å; P667-E695 HydrophobicContact CG-CG 4.25Å; P667-E695 WeakPolarHBondContact CG-OE1 3.36Å; L668-E695 PolarHBondContact O-N 2.85Å; K669-E695 CarbonylContact C-O 3.55Å; K669-E695 VanDerWaalsContact CA-O 3.3Å; K669-E695 WeakPolarHBondContact CA-O 3.26Å; K669-E695 WeakPolarHBondContact CD-OE2 3.28Å; K669-E695 WeakPolarHBondContact CE-OE2 3.46Å; K669-E695 HydrophobicContact CG-CB 4.23Å; K669-E695 IonicContact NZ-OE2 3.59Å; K669-E695 PolarHBondContact NZ-OE2 3.17Å; T670-E695 PolarHBondContact N-O 3.02Å; E695-N726 CarbonylContact C-O 3.56Å; E695-N726 WeakPolarHBondContact CA-O 3.16Å; E695-N726 HydrophobicContact CG-CB 4.19Å
696	I	94.9	Very high	91.2	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119	-179.8	-58.5	168.4	0	0	0	107.6	T670 F687 T694 I698 T725 N726 F727 T728	T670-I696 CarbonylContact O-C 3.57Å; T670-I696 WeakPolarHBondContact O-CA 3.27Å; F687-I696 HydrophobicContact CB-CD1 4.42Å; F687-I696 HydrophobicContact CD1-CD1 3.67Å; F687-I696 HydrophobicContact CD1-CG1 4.33Å; F687-I696 HydrophobicContact CD1-CG2 4.37Å; F687-I696 HydrophobicContact CD2-CD1 4.42Å; F687-I696 HydrophobicContact CE1-CD1 3.98Å; F687-I696 HydrophobicContact CE1-CG1 4.2Å; F687-I696 HydrophobicContact CE1-CG2 3.69Å; F687-I696 HydrophobicContact CE2-CG2 3.96Å; F687-I696 HydrophobicContact CG-CD1 3.95Å; F687-I696 HydrophobicContact CZ-CD1 4.45Å; F687-I696 HydrophobicContact CZ-CG2 3.42Å; F687-I696 VanDerWaalsContact CZ-CG2 3.46Å; T694-I696 HydrophobicContact CG2-CD1 4.26Å; T694-I696 HydrophobicContact CG2-CG1 3.82Å; I696-I698 HydrophobicContact CG2-CG1 4.38Å; I696-T725 HydrophobicContact CD1-CG2 4.08Å; I696-N726 PolarHBondContact N-O 3.05Å; I696-F727 HydrophobicContact CB-CD2 3.98Å; I696-F727 HydrophobicContact CG2-CD2 3.71Å; I696-F727 HydrophobicContact CG2-CE2 4.07Å; I696-T728 PolarHBondContact O-N 3.05Å
697	L	96.8	Very high	90.8	Very high	44.3333 Å²	44.3333	41.8 Å²	41.8	23%	0.232	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.2	176.2	-179.9	63.5	0	0	0	109.7	T670 H671 V672 T728	T670-L697 PolarHBondContact O-N 3.25Å; H671-L697 CarbonylContact C-O 3.57Å; H671-L697 VanDerWaalsContact CA-O 3.29Å; H671-L697 WeakPolarHBondContact CA-O 3.42Å; V672-L697 PolarHBondContact N-O 2.87Å; L697-T728 WeakPolarHBondContact CA-O 3.35Å; L697-T728 HydrophobicContact CD1-CG2 3.89Å
698	I	97.7	Very high	90.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.4	172.1	-57.8	175.4	0	0	0	107.8	V672 I685 F687 I696 T701 F703 I711 F727 T728 L729 G730	V672-I698 HydrophobicContact CB-CG1 4.21Å; V672-I698 HydrophobicContact CB-CG2 4.4Å; V672-I698 HydrophobicContact CG2-CG1 4.38Å; V672-I698 CarbonylContact O-C 3.11Å; V672-I698 VanDerWaalsContact O-CA 3.3Å; V672-I698 WeakPolarHBondContact O-CA 3.23Å; I685-I698 HydrophobicContact CD1-CD1 4.14Å; F687-I698 HydrophobicContact CE2-CD1 3.92Å; F687-I698 HydrophobicContact CZ-CD1 4.13Å; I696-I698 HydrophobicContact CG2-CG1 4.38Å; I698-T701 HydrophobicContact CG2-CG2 4.43Å; I698-F703 HydrophobicContact CG2-CE2 4.44Å; I698-F703 HydrophobicContact CG2-CZ 4.45Å; I698-I711 HydrophobicContact CD1-CD1 3.73Å; I698-I711 HydrophobicContact CD1-CG1 4.37Å; I698-I711 HydrophobicContact CD1-CG2 4.35Å; I698-F727 HydrophobicContact CD1-CE2 3.95Å; I698-F727 HydrophobicContact CD1-CZ 4.42Å; I698-F727 HydrophobicContact CG1-CE2 4.49Å; I698-T728 PolarHBondContact N-O 3.1Å; I698-L729 HydrophobicContact CB-CD1 3.79Å; I698-L729 HydrophobicContact CB-CG 4.42Å; I698-L729 HydrophobicContact CG2-CD1 3.73Å; I698-L729 CarbonylContact O-C 3.51Å; I698-L729 WeakPolarHBondContact O-CA 3.31Å; I698-L729 WeakPolarHBondContact O-CD1 3.41Å; I698-G730 PolarHBondContact O-N 3.06Å
699	N	96.3	Very high	90.7	Very high	29.3333 Å²	29.3333	39.3 Å²	39.3	16%	0.157	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.2	-178.3	-111	-5.4	0	0	0	113.4	V672 H673 L674 T701 G730 Y731	V672-N699 PolarHBondContact O-N 3.01Å; V672-N699 PolarHBondContact O-OD1 3.11Å; H673-N699 WeakPolarHBondContact CA-O 3.3Å; H673-N699 HydrophobicContact CB-CB 4.43Å; H673-N699 VanDerWaalsContact CB-O 3.27Å; H673-N699 WeakPolarHBondContact CB-O 3.14Å; H673-N699 WeakPolarHBondContact CB-OD1 3.45Å; H673-N699 VanDerWaalsContact ND1-CG 3.27Å; H673-N699 PolarHBondContact ND1-ND2 2.78Å; H673-N699 PolarHBondContact ND1-OD1 2.86Å; L674-N699 PolarHBondContact N-O 3.08Å; N699-T701 PolarHBondContact O-N 2.93Å; N699-T701 VanDerWaalsContact O-N 3.09Å; N699-T701 PolarHBondContact O-OG1 2.89Å; N699-G730 WeakPolarHBondContact CA-O 3.16Å; N699-G730 VanDerWaalsContact OD1-C 3.26Å; N699-G730 WeakPolarHBondContact OD1-CA 3.33Å; N699-G730 PolarHBondContact OD1-N 2.94Å; N699-G730 PolarHBondContact OD1-O 3.06Å; N699-G730 VanDerWaalsContact OD1-O 3.05Å; N699-Y731 WeakPolarHBondContact OD1-CB 3.44Å; N699-Y731 WeakPolarHBondContact OD1-CD2 3.32Å
700	F	97.8	Very high	91.5	Very high	108.667 Å²	108.667	36.5 Å²	36.5	48%	0.477	16%	0.164	S	C	.	.	S	Bend	trans	51.2	36	176.2	-53.7	-76.2	0	0	0	113.7	H673 L674 G730 Y731 S732	H673-F700 AromaticContact CE1-CD2 3.28Å; H673-F700 WeakPolarHBondContact CE1-CD2 3.36Å; H673-F700 AromaticContact CE1-CE2 3.96Å; H673-F700 AromaticContact CE1-CG 3.97Å; H673-F700 AromaticContact ND1-CD2 3.61Å; L674-F700 VanDerWaalsContact CA-O 3.24Å; L674-F700 WeakPolarHBondContact CA-O 3.3Å; L674-F700 HydrophobicContact CD2-CB 3.75Å; L674-F700 HydrophobicContact CD2-CG 4.44Å; L674-F700 HydrophobicContact CG-CB 4.35Å; L674-F700 PolarHBondContact N-O 2.84Å; F700-G730 PolarHBondContact N-O 3.09Å; F700-Y731 VanDerWaalsContact CA-O 3.25Å; F700-Y731 WeakPolarHBondContact CA-O 3.44Å; F700-Y731 HydrophobicContact CD1-CG 4.43Å; F700-Y731 VanDerWaalsContact CE1-CB 3.46Å; F700-Y731 HydrophobicContact CE1-CD1 4.23Å; F700-Y731 HydrophobicContact CE1-CD2 4.38Å; F700-Y731 AromaticContact CE1-CG 3.8Å; F700-Y731 HydrophobicContact CE1-CG 3.8Å; F700-Y731 HydrophobicContact CE2-CD2 4.14Å; F700-Y731 HydrophobicContact CE2-CG 4.33Å; F700-Y731 HydrophobicContact CZ-CD1 4.36Å; F700-Y731 AromaticContact CZ-CD2 3.87Å; F700-Y731 HydrophobicContact CZ-CD2 4.06Å; F700-Y731 AromaticContact CZ-CG 3.85Å; F700-Y731 HydrophobicContact CZ-CG 3.94Å; F700-Y731 PolarHBondContact N-O 2.87Å; F700-S732 PolarHBondContact N-OG 3.01Å
701	T	98	Very high	92.6	Very high	2.66667 Å²	2.66667	36.1 Å²	36.1	2%	0.016	16%	0.161	C	C	.	.			trans	-108	141.2	-174.5	-60.5	0	0	0	0	109.9	V672 S675 F677 I698 N699 F703 S732 Y733	V672-T701 HydrophobicContact CG1-CG2 4.47Å; S675-T701 WeakPolarHBondContact O-CA 3.3Å; S675-T701 WeakPolarHBondContact O-CG2 3.21Å; F677-T701 HydrophobicContact CD2-CG2 3.75Å; F677-T701 HydrophobicContact CE2-CG2 3.83Å; I698-T701 HydrophobicContact CG2-CG2 4.43Å; N699-T701 PolarHBondContact O-N 2.93Å; N699-T701 VanDerWaalsContact O-N 3.09Å; N699-T701 PolarHBondContact O-OG1 2.89Å; T701-F703 HydrophobicContact CG2-CD2 4.11Å; T701-F703 HydrophobicContact CG2-CE1 4.29Å; T701-F703 HydrophobicContact CG2-CE2 3.37Å; T701-F703 HydrophobicContact CG2-CZ 3.49Å; T701-F703 VanDerWaalsContact CG2-CZ 3.47Å; T701-S732 PolarHBondContact N-OG 2.85Å; T701-S732 WeakPolarHBondContact O-CA 3.34Å; T701-S732 VanDerWaalsContact O-CB 3.31Å; T701-S732 WeakPolarHBondContact O-CB 3.44Å; T701-Y733 PolarHBondContact O-N 3.02Å
702	Y	98.1	Very high	93.3	Very high	74 Å²	74	37 Å²	37	29%	0.29	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.3	-178.1	-176.5	-105.4	0	0	0	111.1	S675 N676 F677 T678 F704 Y733 N735	S675-Y702 PolarHBondContact O-N 3.25Å; N676-Y702 WeakPolarHBondContact CA-O 3.14Å; N676-Y702 WeakPolarHBondContact OD1-CB 3.43Å; F677-Y702 PolarHBondContact N-O 2.88Å; T678-Y702 HydrophobicContact CG2-CD1 4.46Å; Y702-F704 HydrophobicContact CD1-CB 4.11Å; Y702-F704 HydrophobicContact CE1-CB 3.36Å; Y702-F704 VanDerWaalsContact CE1-CB 3.4Å; Y702-F704 HydrophobicContact CE1-CD2 4.44Å; Y702-F704 AromaticContact CE1-CG 3.95Å; Y702-F704 HydrophobicContact CE1-CG 4.01Å; Y702-F704 VanDerWaalsContact OH-CD2 3.28Å; Y702-F704 WeakPolarHBondContact OH-CD2 3.15Å; Y702-Y733 WeakPolarHBondContact CA-O 3.33Å; Y702-Y733 AromaticContact CD2-CD1 3.58Å; Y702-Y733 HydrophobicContact CD2-CD1 3.58Å; Y702-Y733 HydrophobicContact CD2-CE1 4.39Å; Y702-Y733 HydrophobicContact CD2-CG 4.19Å; Y702-Y733 AromaticContact CE2-CD1 3.31Å; Y702-Y733 HydrophobicContact CE2-CD1 3.31Å; Y702-Y733 AromaticContact CE2-CE1 3.69Å; Y702-Y733 HydrophobicContact CE2-CE1 3.69Å; Y702-Y733 HydrophobicContact CE2-CG 4.29Å; Y702-N735 PolarHBondContact OH-ND2 3.11Å
703	F	98.1	Very high	93.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117	179.6	-63.2	-91.5	0	0	0	110.4	F677 A684 I685 I698 T701 A710 I711 Y733 F734 N735 N737	F677-F703 HydrophobicContact CB-CD1 3.65Å; F677-F703 HydrophobicContact CB-CE1 3.98Å; F677-F703 HydrophobicContact CB-CG 4.46Å; F677-F703 HydrophobicContact CD2-CD1 4.14Å; F677-F703 AromaticContact CD2-CE1 3.67Å; F677-F703 HydrophobicContact CD2-CE1 3.67Å; F677-F703 HydrophobicContact CD2-CZ 4.13Å; F677-F703 HydrophobicContact CE2-CE1 4.34Å; F677-F703 HydrophobicContact CE2-CZ 4.47Å; F677-F703 HydrophobicContact CG-CD1 4.06Å; F677-F703 AromaticContact CG-CE1 3.85Å; F677-F703 HydrophobicContact CG-CE1 3.85Å; F677-F703 WeakPolarHBondContact O-CA 3.34Å; A684-F703 HydrophobicContact CB-CD1 3.96Å; A684-F703 HydrophobicContact CB-CE1 4.15Å; I685-F703 HydrophobicContact CD1-CE1 3.78Å; I685-F703 HydrophobicContact CD1-CZ 3.66Å; I685-F703 HydrophobicContact CG1-CE1 3.99Å; I685-F703 HydrophobicContact CG1-CZ 4.37Å; I698-F703 HydrophobicContact CG2-CE2 4.44Å; I698-F703 HydrophobicContact CG2-CZ 4.45Å; T701-F703 HydrophobicContact CG2-CD2 4.11Å; T701-F703 HydrophobicContact CG2-CE1 4.29Å; T701-F703 HydrophobicContact CG2-CE2 3.37Å; T701-F703 HydrophobicContact CG2-CZ 3.49Å; T701-F703 VanDerWaalsContact CG2-CZ 3.47Å; F703-A710 HydrophobicContact CB-CB 3.94Å; F703-A710 HydrophobicContact CD1-CB 3.72Å; F703-A710 HydrophobicContact CE1-CB 4.41Å; F703-A710 HydrophobicContact CG-CB 3.92Å; F703-I711 HydrophobicContact CE1-CD1 4.4Å; F703-I711 HydrophobicContact CE1-CG1 4Å; F703-I711 HydrophobicContact CE2-CD1 4.08Å; F703-I711 HydrophobicContact CE2-CG1 4.42Å; F703-I711 HydrophobicContact CZ-CD1 3.77Å; F703-I711 HydrophobicContact CZ-CG1 3.81Å; F703-Y733 PolarHBondContact N-O 2.96Å; F703-F734 HydrophobicContact CB-CD1 3.63Å; F703-F734 HydrophobicContact CB-CE1 4.06Å; F703-F734 HydrophobicContact CB-CG 4.27Å; F703-F734 HydrophobicContact CD1-CE1 4.31Å; F703-F734 AromaticContact CD2-CD1 3.61Å; F703-F734 HydrophobicContact CD2-CD1 3.61Å; F703-F734 HydrophobicContact CD2-CD2 4.44Å; F703-F734 AromaticContact CD2-CE1 3.24Å; F703-F734 HydrophobicContact CD2-CE1 3.24Å; F703-F734 HydrophobicContact CD2-CE2 4.12Å; F703-F734 HydrophobicContact CD2-CG 4.2Å; F703-F734 AromaticContact CD2-CZ 3.52Å; F703-F734 HydrophobicContact CD2-CZ 3.52Å; F703-F734 VanDerWaalsContact CD2-CZ 3.48Å; F703-F734 HydrophobicContact CE2-CD1 4.39Å; F703-F734 AromaticContact CE2-CE1 3.62Å; F703-F734 HydrophobicContact CE2-CE1 3.62Å; F703-F734 HydrophobicContact CE2-CE2 4.37Å; F703-F734 AromaticContact CE2-CZ 3.57Å; F703-F734 HydrophobicContact CE2-CZ 3.57Å; F703-F734 AromaticContact CG-CD1 3.75Å; F703-F734 HydrophobicContact CG-CD1 3.75Å; F703-F734 AromaticContact CG-CE1 3.63Å; F703-F734 HydrophobicContact CG-CE1 3.63Å; F703-F734 HydrophobicContact CG-CZ 4.36Å; F703-F734 HydrophobicContact CZ-CE1 4.3Å; F703-F734 HydrophobicContact CZ-CZ 4.46Å; F703-F734 WeakPolarHBondContact O-CA 3.29Å; F703-N735 PolarHBondContact O-N 3.14Å; F703-N737 PolarHBondContact O-ND2 3.17Å
704	F	96.9	Very high	94	Very high	47.6667 Å²	47.6667	32 Å²	32	21%	0.209	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.5	-173.8	177.4	-107.1	0	0	0	113.5	F677 T678 E679 Y702 N706 N735 K736	F677-F704 PolarHBondContact O-N 2.9Å; T678-F704 VanDerWaalsContact CA-O 3.28Å; T678-F704 WeakPolarHBondContact CA-O 3.36Å; T678-F704 HydrophobicContact CG2-CB 4.19Å; E679-F704 PolarHBondContact N-O 3.07Å; Y702-F704 HydrophobicContact CD1-CB 4.11Å; Y702-F704 HydrophobicContact CE1-CB 3.36Å; Y702-F704 VanDerWaalsContact CE1-CB 3.4Å; Y702-F704 HydrophobicContact CE1-CD2 4.44Å; Y702-F704 AromaticContact CE1-CG 3.95Å; Y702-F704 HydrophobicContact CE1-CG 4.01Å; Y702-F704 VanDerWaalsContact OH-CD2 3.28Å; Y702-F704 WeakPolarHBondContact OH-CD2 3.15Å; F704-N706 PolarHBondContact N-ND2 2.98Å; F704-N706 PolarHBondContact O-N 3.2Å; F704-N706 VanDerWaalsContact O-N 3.1Å; F704-N735 VanDerWaalsContact CA-O 3.31Å; F704-N735 WeakPolarHBondContact CA-O 3.34Å; F704-N735 HydrophobicContact CD2-CB 4.01Å; F704-K736 HydrophobicContact CE2-CD 4.39Å
705	K	93.5	Very high	93.6	Very high	86.3333 Å²	86.3333	32 Å²	32	38%	0.375	14%	0.141	S	C	.	.	S	Bend	trans	50.8	32.3	174.5	-69	-175	177.8	-179.1	0	115.4	E679 N735 K736	E679-K705 WeakPolarHBondContact CA-O 3.32Å; E679-K705 HydrophobicContact CG-CB 3.9Å; E679-K705 HydrophobicContact CG-CD 4.05Å; E679-K705 WeakPolarHBondContact OE1-CD 3.3Å; E679-K705 IonicContact OE1-NZ 2.9Å; E679-K705 PolarHBondContact OE1-NZ 3.28Å; K705-N735 PolarHBondContact N-O 2.98Å; K705-N735 VanDerWaalsContact N-O 3.1Å; K705-K736 VanDerWaalsContact CA-O 3.3Å; K705-K736 WeakPolarHBondContact CA-O 3.45Å; K705-K736 HydrophobicContact CG-CB 4.02Å
706	N	92.5	Very high	93	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.129	C	C	.	.			trans	-69.6	138.4	171.3	-59	-78.8	0	0	0	109	F677 N680 A684 F704 R708 N737 Q738	F677-N706 PolarHBondContact O-ND2 2.89Å; N680-N706 WeakPolarHBondContact CB-OD1 3.36Å; N680-N706 PolarHBondContact N-OD1 3.14Å; N680-N706 VanDerWaalsContact N-OD1 3.13Å; N680-N706 PolarHBondContact ND2-OD1 2.85Å; N680-N706 WeakPolarHBondContact O-CA 3.49Å; A684-N706 HydrophobicContact CB-CB 4.31Å; F704-N706 PolarHBondContact N-ND2 2.98Å; F704-N706 PolarHBondContact O-N 3.2Å; F704-N706 VanDerWaalsContact O-N 3.1Å; N706-R708 VanDerWaalsContact C-N 3.31Å; N706-R708 PolarHBondContact O-N 2.81Å; N706-N737 WeakPolarHBondContact CB-OD1 3.27Å; N706-N737 PolarHBondContact N-OD1 3.28Å; N706-N737 VanDerWaalsContact N-OD1 3.09Å; N706-N737 PolarHBondContact ND2-OD1 3.21Å; N706-Q738 PolarHBondContact O-N 2.96Å
707	H	86.1	Confident	92.1	Very high	73.3333 Å²	73.3333	33.5 Å²	33.5	34%	0.34	15%	0.151	S	C	.	.	S	Bend	trans	-79.1	-16.1	-169.3	-71.1	-77.8	0	0	0	113.9	N680 Y681 Q738	N680-H707 PolarHBondContact O-N 3.22Å; Y681-H707 HydrophobicContact CD2-CB 4.22Å; Y681-H707 WeakPolarHBondContact O-CB 3.23Å; H707-Q738 VanDerWaalsContact CA-OE1 3.28Å; H707-Q738 PolarHBondContact ND1-OE1 3.14Å; H707-Q738 VanDerWaalsContact ND1-OE1 3.13Å; H707-Q738 WeakPolarHBondContact O-CB 3.27Å; H707-Q738 PolarHBondContact O-OE1 3.23Å
708	R	86.3	Confident	91	Very high	35.6667 Å²	35.6667	33.3 Å²	33.3	14%	0.135	15%	0.153	C	C	.	.	S	Bend	trans	-119.7	-131.3	167.8	-64.4	-170.9	111.8	134	3.2	110.2	Y681 H682 N706 L739 E1177	Y681-R708 WeakPolarHBondContact O-CG 3.08Å; H682-R708 PolarHBondContact CD2-NH1 2.96Å; H682-R708 PolarHBondContact CE1-NH1 3.32Å; H682-R708 VanDerWaalsContact CE1-NH1 3.33Å; H682-R708 PolarHBondContact ND1-NH1 3.28Å; H682-R708 PolarHBondContact NE2-NH1 3.43Å; N706-R708 VanDerWaalsContact C-N 3.31Å; N706-R708 PolarHBondContact O-N 2.81Å; R708-L739 HydrophobicContact CB-CD1 3.98Å; R708-L739 HydrophobicContact CG-CD1 4.1Å; R708-L739 PolarHBondContact O-N 3.02Å; R708-E1177 IonicContact CZ-OE1 3.04Å; R708-E1177 IonicContact CZ-OE2 3.16Å; R708-E1177 IonicContact NE-OE2 3.16Å; R708-E1177 VanDerWaalsContact NH1-CB 3.26Å; R708-E1177 IonicContact NH1-OE1 3.52Å; R708-E1177 PolarHBondContact NH1-OE1 3.39Å; R708-E1177 IonicContact NH1-OE2 3.11Å; R708-E1177 PolarHBondContact NH1-OE2 2.5Å; R708-E1177 IonicContact NH2-OE1 3.59Å; R708-E1177 PolarHBondContact NH2-OE1 3.12Å; R708-E1177 IonicContact NH2-OE2 3.38Å; R708-E1177 PolarHBondContact NH2-OE2 2.96Å
709	N	91.4	Very high	89.7	Confident	3.33333 Å²	3.33333	39.3 Å²	39.3	2%	0.018	19%	0.185	C	C	.	.			trans	-84	152.2	-177.3	-49.1	-77.2	0	0	0	110.6	D683 A684 L739 N740 I743	D683-N709 CarbonylContact C-O 3.53Å; D683-N709 WeakPolarHBondContact CA-O 3.32Å; D683-N709 VanDerWaalsContact OD1-CB 3.32Å; D683-N709 WeakPolarHBondContact OD1-CB 3.39Å; D683-N709 PolarHBondContact OD1-N 3.04Å; D683-N709 VanDerWaalsContact OD1-N 3.17Å; D683-N709 PolarHBondContact OD1-ND2 3.26Å; A684-N709 PolarHBondContact N-O 3.28Å; N709-L739 WeakPolarHBondContact OD1-CB 3.4Å; N709-N740 CarbonylContact C-O 3.49Å; N709-N740 WeakPolarHBondContact CA-O 3.2Å; N709-N740 WeakPolarHBondContact CB-O 3.39Å; N709-N740 WeakPolarHBondContact OD1-CB 3.34Å; N709-N740 PolarHBondContact OD1-N 2.84Å; N709-N740 VanDerWaalsContact OD1-N 3.15Å; N709-N740 PolarHBondContact OD1-ND2 3.36Å; N709-I743 HydrophobicContact CB-CG2 4.03Å
710	A	95.4	Very high	88.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-76	-46.3	172	0	0	0	0	0	111.2	A684 I685 F703 F734 N740 A741	A684-A710 CarbonylContact C-O 3.58Å; A684-A710 WeakPolarHBondContact CA-O 3.23Å; A684-A710 WeakPolarHBondContact CB-O 3.39Å; A684-A710 PolarHBondContact N-O 3.17Å; I685-A710 PolarHBondContact N-O 3.03Å; F703-A710 HydrophobicContact CB-CB 3.94Å; F703-A710 HydrophobicContact CD1-CB 3.72Å; F703-A710 HydrophobicContact CE1-CB 4.41Å; F703-A710 HydrophobicContact CG-CB 3.92Å; A710-F734 HydrophobicContact CB-CD1 3.63Å; A710-F734 HydrophobicContact CB-CE1 3.67Å; A710-N740 PolarHBondContact N-O 3.1Å; A710-A741 CarbonylContact C-O 3.52Å; A710-A741 VanDerWaalsContact CB-O 3.28Å; A710-A741 WeakPolarHBondContact CB-O 3.33Å; A710-A741 PolarHBondContact N-O 3.18Å
711	I	97.1	Very high	87.1	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.8	177.6	-57	167.3	0	0	0	110.1	I685 F687 I698 F703 V713 F727 L729 F734 A741 I742 I743	I685-I711 HydrophobicContact CB-CG1 4.39Å; I685-I711 HydrophobicContact CD1-CG1 4.49Å; I685-I711 CarbonylContact O-C 3.55Å; I685-I711 WeakPolarHBondContact O-CA 3.27Å; F687-I711 HydrophobicContact CD2-CG2 4.42Å; F687-I711 HydrophobicContact CE2-CG2 4.29Å; I698-I711 HydrophobicContact CD1-CD1 3.73Å; I698-I711 HydrophobicContact CD1-CG1 4.37Å; I698-I711 HydrophobicContact CD1-CG2 4.35Å; F703-I711 HydrophobicContact CE1-CD1 4.4Å; F703-I711 HydrophobicContact CE1-CG1 4Å; F703-I711 HydrophobicContact CE2-CD1 4.08Å; F703-I711 HydrophobicContact CE2-CG1 4.42Å; F703-I711 HydrophobicContact CZ-CD1 3.77Å; F703-I711 HydrophobicContact CZ-CG1 3.81Å; I711-V713 HydrophobicContact CG2-CG2 4.03Å; I711-F727 HydrophobicContact CG2-CE2 4.41Å; I711-F727 HydrophobicContact CG2-CZ 4.12Å; I711-L729 HydrophobicContact CD1-CD1 3.86Å; I711-L729 HydrophobicContact CD1-CD2 4.4Å; I711-F734 HydrophobicContact CD1-CE1 3.93Å; I711-F734 HydrophobicContact CD1-CZ 3.73Å; I711-F734 HydrophobicContact CG1-CE1 4.29Å; I711-A741 PolarHBondContact N-O 2.85Å; I711-I742 CarbonylContact O-C 3.59Å; I711-I742 WeakPolarHBondContact O-CA 3.34Å; I711-I743 PolarHBondContact O-N 2.96Å
712	R	94.1	Very high	86	Confident	37.6667 Å²	37.6667	44.9 Å²	44.9	14%	0.142	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.3	170.7	-179	157.3	-165.8	177.2	1	110.9	D683 I685 R686 F687 Y714 I743 Q1167	D683-R712 HydrophobicContact CB-CB 4.43Å; D683-R712 WeakPolarHBondContact OD2-CD 3.36Å; I685-R712 PolarHBondContact O-N 3.11Å; R686-R712 WeakPolarHBondContact CA-O 3.42Å; R686-R712 HydrophobicContact CG-CB 4.36Å; R686-R712 HydrophobicContact CG-CG 4.48Å; F687-R712 PolarHBondContact N-O 3.01Å; R712-Y714 HydrophobicContact CG-CD2 4.36Å; R712-Y714 HydrophobicContact CG-CE2 3.97Å; R712-Y714 VanDerWaalsContact NE-CZ 3.29Å; R712-Y714 PolarHBondContact NE-OH 3.06Å; R712-Y714 VanDerWaalsContact NE-OH 3.12Å; R712-Y714 PolarHBondContact NH1-OH 3.05Å; R712-Y714 PolarHBondContact NH2-OH 3.19Å; R712-I743 WeakPolarHBondContact CA-O 3.39Å; R712-I743 HydrophobicContact CB-CG2 3.66Å; R712-I743 HydrophobicContact CG-CG2 3.71Å; R712-Q1167 VanDerWaalsContact CZ-OE1 3.3Å
713	V	93.1	Very high	85.2	Confident	1.66667 Å²	1.66667	43.3 Å²	43.3	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.2	178.1	-173	0	0	0	0	109.6	F687 I711 F727 I743 I744 I750	F687-V713 HydrophobicContact CB-CG1 4.42Å; F687-V713 HydrophobicContact CD2-CG2 4.01Å; I711-V713 HydrophobicContact CG2-CG2 4.03Å; V713-F727 HydrophobicContact CG2-CD1 4.38Å; V713-F727 HydrophobicContact CG2-CD2 4.11Å; V713-F727 HydrophobicContact CG2-CE1 4.22Å; V713-F727 HydrophobicContact CG2-CE2 3.93Å; V713-F727 HydrophobicContact CG2-CG 4.35Å; V713-F727 HydrophobicContact CG2-CZ 4Å; V713-I743 PolarHBondContact N-O 3.3Å; V713-I744 HydrophobicContact CB-CG1 4.17Å; V713-I744 HydrophobicContact CB-CG2 4.38Å; V713-I744 HydrophobicContact CG2-CG1 4.42Å; V713-I750 HydrophobicContact CG1-CD1 4.49Å
714	Y	87.1	Confident	84.7	Confident	56.6667 Å²	56.6667	45.1 Å²	45.1	22%	0.222	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-95.8	126.8	168.1	-64.3	-79.9	0	0	0	109.7	R686 F687 Y688 R712	R686-Y714 HydrophobicContact CG-CD2 4.47Å; R686-Y714 HydrophobicContact CG-CE2 4.14Å; F687-Y714 VanDerWaalsContact O-CD2 3.3Å; F687-Y714 WeakPolarHBondContact O-CD2 3.2Å; F687-Y714 PolarHBondContact O-N 2.99Å; Y688-Y714 AromaticContact CD1-CD2 3.76Å; Y688-Y714 HydrophobicContact CD1-CD2 3.76Å; Y688-Y714 AromaticContact CD1-CE2 3.93Å; Y688-Y714 HydrophobicContact CD1-CE2 3.93Å; Y688-Y714 HydrophobicContact CD1-CG 4.49Å; Y688-Y714 HydrophobicContact CE1-CD2 4.08Å; Y688-Y714 AromaticContact CE1-CE2 3.74Å; Y688-Y714 HydrophobicContact CE1-CE2 3.74Å; Y688-Y714 HydrophobicContact CG-CD2 4.22Å; R712-Y714 HydrophobicContact CG-CD2 4.36Å; R712-Y714 HydrophobicContact CG-CE2 3.97Å; R712-Y714 VanDerWaalsContact NE-CZ 3.29Å; R712-Y714 PolarHBondContact NE-OH 3.06Å; R712-Y714 VanDerWaalsContact NE-OH 3.12Å; R712-Y714 PolarHBondContact NH1-OH 3.05Å; R712-Y714 PolarHBondContact NH2-OH 3.19Å
715	S	81.6	Confident	84.4	Confident	5 Å²	5	43.2 Å²	43.2	4%	0.035	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-86.5	167.5	179	41.7	0	0	0	0	112.5	N689 P746 I748	N689-S715 WeakPolarHBondContact CB-O 3.18Å; N689-S715 PolarHBondContact ND2-O 3.23Å; N689-S715 PolarHBondContact OD1-O 3.34Å; S715-P746 VanDerWaalsContact CB-O 3.3Å; S715-P746 WeakPolarHBondContact CB-O 3.37Å; S715-P746 PolarHBondContact OG-O 2.79Å; S715-I748 VanDerWaalsContact CB-O 3.25Å; S715-I748 WeakPolarHBondContact CB-O 3.37Å; S715-I748 WeakPolarHBondContact OG-CG1 3.36Å; S715-I748 PolarHBondContact OG-N 3.17Å; S715-I748 VanDerWaalsContact OG-N 3.12Å; S715-I748 PolarHBondContact OG-O 3.22Å
716	C	79.2	Confident	84.4	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.014	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-91.1	131.4	179.6	168	0	0	0	0	112.9	N689 S690 C691 C718 I748 N749	N689-C716 WeakPolarHBondContact OD1-CA 3.21Å; N689-C716 WeakPolarHBondContact OD1-CB 3.41Å; N689-C716 PolarHBondContact OD1-SG 3.44Å; N689-C716 VanDerWaalsContact OD1-SG 3.32Å; S690-C716 WeakPolarHBondContact O-CB 3.23Å; C691-C716 WeakPolarHBondContact CA-SG 3.44Å; C691-C716 HydrophobicContact CB-CB 4.05Å; C691-C716 WeakPolarHBondContact CB-SG 3.43Å; C691-C716 VanDerWaalsContact SG-CA 3.55Å; C691-C716 WeakPolarHBondContact SG-CA 3.39Å; C691-C716 WeakPolarHBondContact SG-CB 3.1Å; C691-C716 CovalentContact SG-SG 2.04Å; C691-C716 PolarHBondContact SG-SG 3.28Å; C716-C718 PolarHBondContact O-N 3.01Å; C716-C718 VanDerWaalsContact SG-CB 3.59Å; C716-C718 WeakPolarHBondContact SG-CB 3.35Å; C716-C718 PolarHBondContact SG-N 3.16Å; C716-C718 VanDerWaalsContact SG-N 3.37Å; C716-C718 PolarHBondContact SG-SG 2.91Å; C716-I748 VanDerWaalsContact O-CD1 3.22Å; C716-I748 WeakPolarHBondContact O-CD1 3.16Å; C716-I748 WeakPolarHBondContact O-CG1 3.26Å; C716-N749 PolarHBondContact O-ND2 3.38Å
717	L	76.2	Confident	84.5	Confident	95.3333 Å²	95.3333	41.5 Å²	41.5	50%	0.499	22%	0.217	S	C	.	.			trans	-90.6	35.2	174.7	-70.5	157.5	0	0	0	113.1	C691 I748 L783 Y786	C691-L717 PolarHBondContact SG-N 3.23Å; L717-I748 HydrophobicContact CB-CD1 4.33Å; L717-I748 HydrophobicContact CD2-CD1 3.3Å; L717-I748 VanDerWaalsContact CD2-CD1 3.43Å; L717-I748 HydrophobicContact CG-CD1 3.76Å; L717-L783 HydrophobicContact CD2-CD2 3.75Å; L717-Y786 PolarHBondContact O-OH 3.21Å
718	C	75	Confident	85	Confident	40 Å²	40	39.3 Å²	39.3	27%	0.27	21%	0.209	S	C	.	.			trans	-102	143	178.4	-70.7	0	0	0	0	112.8	C691 C716 D720 M723 N749 Y786	C691-C718 HydrophobicContact CB-CB 4.15Å; C691-C718 VanDerWaalsContact CB-SG 3.6Å; C691-C718 WeakPolarHBondContact CB-SG 3.15Å; C691-C718 VanDerWaalsContact SG-CB 3.58Å; C691-C718 PolarHBondContact SG-SG 3.18Å; C716-C718 PolarHBondContact O-N 3.01Å; C716-C718 VanDerWaalsContact SG-CB 3.59Å; C716-C718 WeakPolarHBondContact SG-CB 3.35Å; C716-C718 PolarHBondContact SG-N 3.16Å; C716-C718 VanDerWaalsContact SG-N 3.37Å; C716-C718 PolarHBondContact SG-SG 2.91Å; C718-D720 VanDerWaalsContact C-N 3.3Å; C718-D720 PolarHBondContact O-N 3.01Å; C718-M723 HydrophobicContact CB-SD 3.84Å; C718-M723 WeakPolarHBondContact SG-CB 3.22Å; C718-N749 PolarHBondContact O-ND2 2.9Å; C718-N749 VanDerWaalsContact O-ND2 3.11Å; C718-Y786 VanDerWaalsContact O-CE1 3.3Å; C718-Y786 WeakPolarHBondContact O-CE1 3.16Å
719	N	69.1	Low	85.6	Confident	126 Å²	126	37.6 Å²	37.6	67%	0.674	20%	0.202	S	C	*	.	S	Bend	trans	-76.9	-1.1	-177.3	-62.5	14.3	0	0	0	114.6	P721 Y786	N719-P721 VanDerWaalsContact O-CD 3.3Å; N719-P721 WeakPolarHBondContact O-CD 3.33Å; N719-Y786 PolarHBondContact OD1-OH 3.11Å
720	D	73.2	Confident	85.8	Confident	63 Å²	63	37.6 Å²	37.6	34%	0.337	20%	0.203	S	C	.	.			trans	-80.8	113.6	177.9	-177	-5.2	0	0	0	109.9	C718 N722 M723	C718-D720 VanDerWaalsContact C-N 3.3Å; C718-D720 PolarHBondContact O-N 3.01Å; D720-N722 PolarHBondContact O-N 3.02Å; D720-N722 VanDerWaalsContact O-N 3.07Å; D720-N722 VanDerWaalsContact OD1-CB 3.3Å; D720-N722 WeakPolarHBondContact OD1-CB 3.35Å; D720-N722 PolarHBondContact OD1-N 3.08Å; D720-N722 PolarHBondContact OD1-ND2 3.15Å; D720-N722 VanDerWaalsContact OD1-ND2 3.11Å; D720-M723 HydrophobicContact CB-CB 4.47Å; D720-M723 HydrophobicContact CB-CG 3.9Å; D720-M723 HydrophobicContact CB-SD 3.98Å; D720-M723 PolarHBondContact O-N 2.94Å; D720-M723 WeakPolarHBondContact OD2-CE 3.47Å
721	P	67.8	Low	86	Confident	89.3333 Å²	89.3333	43.3 Å²	43.3	58%	0.58	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-13	-179.6	28	-36.2	0	0	0	113.3	N719 M723 I724	N719-P721 VanDerWaalsContact O-CD 3.3Å; N719-P721 WeakPolarHBondContact O-CD 3.33Å; P721-M723 VanDerWaalsContact C-N 3.32Å; P721-I724 WeakPolarHBondContact O-CD1 3.39Å; P721-I724 WeakPolarHBondContact O-CG1 3.25Å
722	N	74	Confident	86	Confident	105 Å²	105	43.4 Å²	43.4	56%	0.561	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.4	175.5	-60.3	-62.3	0	0	0	113.5	R693 D720 I724	R693-N722 VanDerWaalsContact CZ-O 3.26Å; R693-N722 PolarHBondContact NE-O 3.02Å; R693-N722 PolarHBondContact NH2-O 3.28Å; D720-N722 PolarHBondContact O-N 3.02Å; D720-N722 VanDerWaalsContact O-N 3.07Å; D720-N722 VanDerWaalsContact OD1-CB 3.3Å; D720-N722 WeakPolarHBondContact OD1-CB 3.35Å; D720-N722 PolarHBondContact OD1-N 3.08Å; D720-N722 PolarHBondContact OD1-ND2 3.15Å; D720-N722 VanDerWaalsContact OD1-ND2 3.11Å; N722-I724 VanDerWaalsContact C-N 3.32Å; N722-I724 PolarHBondContact O-N 3.03Å; N722-I724 VanDerWaalsContact O-N 3.16Å
723	M	82.1	Confident	86.2	Confident	40.3333 Å²	40.3333	45.7 Å²	45.7	20%	0.199	24%	0.235	C	C	.	.			trans	-93.1	66.6	-176.2	-63	-87.5	161.6	0	0	111.7	C691 R693 C718 D720 P721	C691-M723 HydrophobicContact CB-SD 4.09Å; C691-M723 WeakPolarHBondContact O-CE 3.32Å; C691-M723 VanDerWaalsContact O-SD 3.39Å; R693-M723 HydrophobicContact CB-SD 4.38Å; C718-M723 HydrophobicContact CB-SD 3.84Å; C718-M723 WeakPolarHBondContact SG-CB 3.22Å; D720-M723 HydrophobicContact CB-CB 4.47Å; D720-M723 HydrophobicContact CB-CG 3.9Å; D720-M723 HydrophobicContact CB-SD 3.98Å; D720-M723 PolarHBondContact O-N 2.94Å; D720-M723 WeakPolarHBondContact OD2-CE 3.47Å; P721-M723 VanDerWaalsContact C-N 3.32Å
724	I	86.8	Confident	86.4	Confident	39.6667 Å²	39.6667	45.7 Å²	45.7	20%	0.203	24%	0.235	C	C	.	.			trans	-99.2	138.1	179.5	-64.8	172.3	0	0	0	110.7	T694 P721 N722 N749 I751 P787	T694-I724 PolarHBondContact N-O 3Å; P721-I724 WeakPolarHBondContact O-CD1 3.39Å; P721-I724 WeakPolarHBondContact O-CG1 3.25Å; N722-I724 VanDerWaalsContact C-N 3.32Å; N722-I724 PolarHBondContact O-N 3.03Å; N722-I724 VanDerWaalsContact O-N 3.16Å; I724-N749 CarbonylContact C-O 3.57Å; I724-N749 WeakPolarHBondContact CA-O 3.33Å; I724-I751 HydrophobicContact CG2-CB 4.37Å; I724-I751 HydrophobicContact CG2-CD1 3.97Å; I724-I751 HydrophobicContact CG2-CG1 3.74Å; I724-I751 HydrophobicContact CG2-CG2 3.99Å; I724-P787 HydrophobicContact CD1-CG 4.27Å; I724-P787 HydrophobicContact CG1-CG 4.49Å
725	T	90.9	Very high	86.9	Confident	7.33333 Å²	7.33333	43.9 Å²	43.9	5%	0.045	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.5	168.8	-61.1	0	0	0	0	109.6	T694 I696 F727 N749 I750 I751	T694-T725 HydrophobicContact CG2-CG2 3.87Å; T694-T725 WeakPolarHBondContact CG2-OG1 3.45Å; T694-T725 CarbonylContact O-C 3.55Å; T694-T725 WeakPolarHBondContact O-CA 3.43Å; T694-T725 PolarHBondContact OG1-OG1 2.93Å; I696-T725 HydrophobicContact CD1-CG2 4.08Å; T725-F727 HydrophobicContact CG2-CB 4.41Å; T725-N749 PolarHBondContact N-O 2.88Å; T725-I750 HydrophobicContact CG2-CG1 4.35Å; T725-I750 VanDerWaalsContact O-CA 3.29Å; T725-I750 WeakPolarHBondContact O-CA 3.28Å; T725-I750 WeakPolarHBondContact O-CG1 3.38Å; T725-I751 PolarHBondContact O-N 2.88Å
726	N	93	Very high	87.5	Confident	49.3333 Å²	49.3333	48.1 Å²	48.1	26%	0.264	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	101.8	170.1	-177.5	-4.3	0	0	0	109.3	T694 E695 I696 T728 I751	T694-N726 PolarHBondContact O-N 2.84Å; E695-N726 CarbonylContact C-O 3.56Å; E695-N726 WeakPolarHBondContact CA-O 3.16Å; E695-N726 HydrophobicContact CG-CB 4.19Å; I696-N726 PolarHBondContact N-O 3.05Å; N726-T728 PolarHBondContact OD1-OG1 3.11Å; N726-I751 CarbonylContact C-O 3.57Å; N726-I751 VanDerWaalsContact CA-O 3.27Å; N726-I751 WeakPolarHBondContact CA-O 3.41Å; N726-I751 HydrophobicContact CB-CD1 4.3Å; N726-I751 HydrophobicContact CB-CG1 3.89Å; N726-I751 PolarHBondContact OD1-O 2.86Å
727	F	95.4	Very high	88	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.1	179.4	175.2	-112.6	0	0	0	110.7	F687 I696 I698 I711 V713 T725 L729 I742 I744 I750 I751 G752 K753 Y790	F687-F727 HydrophobicContact CE2-CE2 4.49Å; I696-F727 HydrophobicContact CB-CD2 3.98Å; I696-F727 HydrophobicContact CG2-CD2 3.71Å; I696-F727 HydrophobicContact CG2-CE2 4.07Å; I698-F727 HydrophobicContact CD1-CE2 3.95Å; I698-F727 HydrophobicContact CD1-CZ 4.42Å; I698-F727 HydrophobicContact CG1-CE2 4.49Å; I711-F727 HydrophobicContact CG2-CE2 4.41Å; I711-F727 HydrophobicContact CG2-CZ 4.12Å; V713-F727 HydrophobicContact CG2-CD1 4.38Å; V713-F727 HydrophobicContact CG2-CD2 4.11Å; V713-F727 HydrophobicContact CG2-CE1 4.22Å; V713-F727 HydrophobicContact CG2-CE2 3.93Å; V713-F727 HydrophobicContact CG2-CG 4.35Å; V713-F727 HydrophobicContact CG2-CZ 4Å; T725-F727 HydrophobicContact CG2-CB 4.41Å; F727-L729 HydrophobicContact CZ-CB 4.4Å; F727-L729 HydrophobicContact CZ-CD1 4.49Å; F727-I742 HydrophobicContact CE1-CG2 4.39Å; F727-I744 HydrophobicContact CD1-CD1 3.75Å; F727-I744 HydrophobicContact CE1-CD1 3.96Å; F727-I750 HydrophobicContact CB-CD1 4.06Å; F727-I750 HydrophobicContact CB-CG1 4.38Å; F727-I751 PolarHBondContact N-O 3.08Å; F727-G752 WeakPolarHBondContact O-CA 3.46Å; F727-K753 PolarHBondContact O-N 2.85Å; F727-Y790 HydrophobicContact CD1-CE2 4.37Å; F727-Y790 WeakPolarHBondContact CD1-OH 3.32Å; F727-Y790 VanDerWaalsContact O-CE2 3.29Å; F727-Y790 WeakPolarHBondContact O-CE2 3.35Å; F727-Y790 PolarHBondContact O-OH 3.3Å
728	T	97.2	Very high	88.5	Confident	28.6667 Å²	28.6667	47.9 Å²	47.9	18%	0.176	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.2	179.2	-64.1	0	0	0	0	111.2	I696 L697 I698 N726 K753	I696-T728 PolarHBondContact O-N 3.05Å; L697-T728 WeakPolarHBondContact CA-O 3.35Å; L697-T728 HydrophobicContact CD1-CG2 3.89Å; I698-T728 PolarHBondContact N-O 3.1Å; N726-T728 PolarHBondContact OD1-OG1 3.11Å; T728-K753 CarbonylContact C-O 3.52Å; T728-K753 VanDerWaalsContact CA-O 3.3Å; T728-K753 WeakPolarHBondContact CA-O 3.34Å; T728-K753 HydrophobicContact CG2-CB 4.49Å; T728-K753 HydrophobicContact CG2-CG 3.75Å
729	L	97.7	Very high	89.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.1	175	177.6	92.6	0	0	0	109.7	I698 I711 F727 F734 I742 K753 I754 I755 S757	I698-L729 HydrophobicContact CB-CD1 3.79Å; I698-L729 HydrophobicContact CB-CG 4.42Å; I698-L729 HydrophobicContact CG2-CD1 3.73Å; I698-L729 CarbonylContact O-C 3.51Å; I698-L729 WeakPolarHBondContact O-CA 3.31Å; I698-L729 WeakPolarHBondContact O-CD1 3.41Å; I711-L729 HydrophobicContact CD1-CD1 3.86Å; I711-L729 HydrophobicContact CD1-CD2 4.4Å; F727-L729 HydrophobicContact CZ-CB 4.4Å; F727-L729 HydrophobicContact CZ-CD1 4.49Å; L729-F734 HydrophobicContact CD1-CE2 4.35Å; L729-F734 HydrophobicContact CD1-CZ 4.05Å; L729-F734 HydrophobicContact CD2-CE2 3.97Å; L729-F734 HydrophobicContact CD2-CZ 4.03Å; L729-I742 HydrophobicContact CD1-CD1 4.04Å; L729-I742 HydrophobicContact CD2-CD1 3.57Å; L729-I742 HydrophobicContact CD2-CG1 4.22Å; L729-K753 PolarHBondContact N-O 2.95Å; L729-I754 HydrophobicContact CB-CG1 4.22Å; L729-I754 HydrophobicContact CD2-CG1 4.36Å; L729-I754 HydrophobicContact CD2-CG2 4.07Å; L729-I754 CarbonylContact O-C 3.55Å; L729-I754 WeakPolarHBondContact O-CA 3.3Å; L729-I755 PolarHBondContact O-N 3.11Å; L729-S757 VanDerWaalsContact CD2-OG 3.26Å; L729-S757 WeakPolarHBondContact CD2-OG 3.49Å
730	G	96.5	Very high	90.1	Very high	2.66667 Å²	2.66667	40.9 Å²	40.9	3%	0.027	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.5	-177.6	0	0	0	0	0	113.2	I698 N699 F700 S732 I755	I698-G730 PolarHBondContact O-N 3.06Å; N699-G730 WeakPolarHBondContact CA-O 3.16Å; N699-G730 VanDerWaalsContact OD1-C 3.26Å; N699-G730 WeakPolarHBondContact OD1-CA 3.33Å; N699-G730 PolarHBondContact OD1-N 2.94Å; N699-G730 PolarHBondContact OD1-O 3.06Å; N699-G730 VanDerWaalsContact OD1-O 3.05Å; F700-G730 PolarHBondContact N-O 3.09Å; G730-S732 WeakPolarHBondContact O-CB 3.46Å; G730-S732 PolarHBondContact O-N 3.01Å; G730-S732 PolarHBondContact O-OG 2.94Å; G730-I755 CarbonylContact C-O 3.59Å; G730-I755 VanDerWaalsContact CA-O 3.24Å; G730-I755 WeakPolarHBondContact CA-O 3.42Å
731	Y	97.9	Very high	91.2	Very high	119.333 Å²	119.333	37.9 Å²	37.9	47%	0.468	19%	0.187	S	C	.	.	S	Bend	trans	49.4	31.3	163.2	-53.8	-84.7	0	0	0	115.2	N699 F700 I755 N756 S757	N699-Y731 WeakPolarHBondContact OD1-CB 3.44Å; N699-Y731 WeakPolarHBondContact OD1-CD2 3.32Å; F700-Y731 VanDerWaalsContact CA-O 3.25Å; F700-Y731 WeakPolarHBondContact CA-O 3.44Å; F700-Y731 HydrophobicContact CD1-CG 4.43Å; F700-Y731 VanDerWaalsContact CE1-CB 3.46Å; F700-Y731 HydrophobicContact CE1-CD1 4.23Å; F700-Y731 HydrophobicContact CE1-CD2 4.38Å; F700-Y731 AromaticContact CE1-CG 3.8Å; F700-Y731 HydrophobicContact CE1-CG 3.8Å; F700-Y731 HydrophobicContact CE2-CD2 4.14Å; F700-Y731 HydrophobicContact CE2-CG 4.33Å; F700-Y731 HydrophobicContact CZ-CD1 4.36Å; F700-Y731 AromaticContact CZ-CD2 3.87Å; F700-Y731 HydrophobicContact CZ-CD2 4.06Å; F700-Y731 AromaticContact CZ-CG 3.85Å; F700-Y731 HydrophobicContact CZ-CG 3.94Å; F700-Y731 PolarHBondContact N-O 2.87Å; Y731-I755 PolarHBondContact N-O 3.19Å; Y731-I755 VanDerWaalsContact N-O 3.12Å; Y731-N756 VanDerWaalsContact CA-O 3.28Å; Y731-N756 WeakPolarHBondContact CA-O 3.41Å; Y731-N756 HydrophobicContact CD1-CB 3.68Å; Y731-N756 HydrophobicContact CE1-CB 3.65Å; Y731-N756 VanDerWaalsContact CE1-ND2 3.27Å; Y731-N756 WeakPolarHBondContact CE1-ND2 3.31Å; Y731-N756 HydrophobicContact CG-CB 4.21Å; Y731-N756 VanDerWaalsContact CZ-ND2 3.3Å; Y731-N756 PolarHBondContact N-O 3.36Å; Y731-N756 PolarHBondContact OH-ND2 3.3Å; Y731-N756 VanDerWaalsContact OH-ND2 3.1Å; Y731-S757 PolarHBondContact N-OG 2.85Å
732	S	98.2	Very high	92.5	Very high	2.66667 Å²	2.66667	33.7 Å²	33.7	2%	0.019	16%	0.16	C	C	.	.			trans	-110.4	156.3	-173.4	-64.3	0	0	0	0	110.6	F700 T701 G730 S757 T758	F700-S732 PolarHBondContact N-OG 3.01Å; T701-S732 PolarHBondContact N-OG 2.85Å; T701-S732 WeakPolarHBondContact O-CA 3.34Å; T701-S732 VanDerWaalsContact O-CB 3.31Å; T701-S732 WeakPolarHBondContact O-CB 3.44Å; G730-S732 WeakPolarHBondContact O-CB 3.46Å; G730-S732 PolarHBondContact O-N 3.01Å; G730-S732 PolarHBondContact O-OG 2.94Å; S732-S757 PolarHBondContact N-OG 3.01Å; S732-S757 CarbonylContact O-C 3.5Å; S732-S757 VanDerWaalsContact O-CA 3.24Å; S732-S757 WeakPolarHBondContact O-CA 3.45Å; S732-S757 VanDerWaalsContact O-CB 3.27Å; S732-S757 WeakPolarHBondContact O-CB 3.24Å; S732-T758 PolarHBondContact O-N 3.04Å
733	Y	98	Very high	93.5	Very high	86.6667 Å²	86.6667	28.9 Å²	28.9	34%	0.34	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123	-171.2	-170.3	-81.7	0	0	0	110.7	T701 Y702 F703 N735 T758 I760	T701-Y733 PolarHBondContact O-N 3.02Å; Y702-Y733 WeakPolarHBondContact CA-O 3.33Å; Y702-Y733 AromaticContact CD2-CD1 3.58Å; Y702-Y733 HydrophobicContact CD2-CD1 3.58Å; Y702-Y733 HydrophobicContact CD2-CE1 4.39Å; Y702-Y733 HydrophobicContact CD2-CG 4.19Å; Y702-Y733 AromaticContact CE2-CD1 3.31Å; Y702-Y733 HydrophobicContact CE2-CD1 3.31Å; Y702-Y733 AromaticContact CE2-CE1 3.69Å; Y702-Y733 HydrophobicContact CE2-CE1 3.69Å; Y702-Y733 HydrophobicContact CE2-CG 4.29Å; F703-Y733 PolarHBondContact N-O 2.96Å; Y733-N735 HydrophobicContact CD1-CB 4.13Å; Y733-N735 HydrophobicContact CE1-CB 3.7Å; Y733-T758 WeakPolarHBondContact CA-O 3.44Å; Y733-T758 HydrophobicContact CD2-CG2 4.03Å; Y733-T758 HydrophobicContact CE2-CG2 3.83Å; Y733-I760 HydrophobicContact CE2-CD1 3.92Å; Y733-I760 WeakPolarHBondContact OH-CD1 3.4Å
734	F	98.2	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.8	-175.6	-63	-102	0	0	0	109.7	F703 A710 I711 L729 A741 I742 T758 F759 I760 H762	F703-F734 HydrophobicContact CB-CD1 3.63Å; F703-F734 HydrophobicContact CB-CE1 4.06Å; F703-F734 HydrophobicContact CB-CG 4.27Å; F703-F734 HydrophobicContact CD1-CE1 4.31Å; F703-F734 AromaticContact CD2-CD1 3.61Å; F703-F734 HydrophobicContact CD2-CD1 3.61Å; F703-F734 HydrophobicContact CD2-CD2 4.44Å; F703-F734 AromaticContact CD2-CE1 3.24Å; F703-F734 HydrophobicContact CD2-CE1 3.24Å; F703-F734 HydrophobicContact CD2-CE2 4.12Å; F703-F734 HydrophobicContact CD2-CG 4.2Å; F703-F734 AromaticContact CD2-CZ 3.52Å; F703-F734 HydrophobicContact CD2-CZ 3.52Å; F703-F734 VanDerWaalsContact CD2-CZ 3.48Å; F703-F734 HydrophobicContact CE2-CD1 4.39Å; F703-F734 AromaticContact CE2-CE1 3.62Å; F703-F734 HydrophobicContact CE2-CE1 3.62Å; F703-F734 HydrophobicContact CE2-CE2 4.37Å; F703-F734 AromaticContact CE2-CZ 3.57Å; F703-F734 HydrophobicContact CE2-CZ 3.57Å; F703-F734 AromaticContact CG-CD1 3.75Å; F703-F734 HydrophobicContact CG-CD1 3.75Å; F703-F734 AromaticContact CG-CE1 3.63Å; F703-F734 HydrophobicContact CG-CE1 3.63Å; F703-F734 HydrophobicContact CG-CZ 4.36Å; F703-F734 HydrophobicContact CZ-CE1 4.3Å; F703-F734 HydrophobicContact CZ-CZ 4.46Å; F703-F734 WeakPolarHBondContact O-CA 3.29Å; A710-F734 HydrophobicContact CB-CD1 3.63Å; A710-F734 HydrophobicContact CB-CE1 3.67Å; I711-F734 HydrophobicContact CD1-CE1 3.93Å; I711-F734 HydrophobicContact CD1-CZ 3.73Å; I711-F734 HydrophobicContact CG1-CE1 4.29Å; L729-F734 HydrophobicContact CD1-CE2 4.35Å; L729-F734 HydrophobicContact CD1-CZ 4.05Å; L729-F734 HydrophobicContact CD2-CE2 3.97Å; L729-F734 HydrophobicContact CD2-CZ 4.03Å; F734-A741 HydrophobicContact CB-CB 4.26Å; F734-A741 HydrophobicContact CD1-CB 3.74Å; F734-A741 HydrophobicContact CE1-CB 4.29Å; F734-A741 HydrophobicContact CG-CB 4.08Å; F734-I742 HydrophobicContact CE1-CG1 4.45Å; F734-I742 HydrophobicContact CZ-CD1 4.41Å; F734-I742 HydrophobicContact CZ-CG1 4.35Å; F734-T758 PolarHBondContact N-O 3.01Å; F734-F759 HydrophobicContact CB-CD1 3.61Å; F734-F759 HydrophobicContact CB-CE1 4.15Å; F734-F759 HydrophobicContact CB-CG 4.44Å; F734-F759 HydrophobicContact CD1-CD1 4.49Å; F734-F759 HydrophobicContact CD1-CE1 4.29Å; F734-F759 AromaticContact CD2-CD1 3.59Å; F734-F759 HydrophobicContact CD2-CD1 3.59Å; F734-F759 AromaticContact CD2-CE1 3.27Å; F734-F759 HydrophobicContact CD2-CE1 3.27Å; F734-F759 HydrophobicContact CD2-CG 4.48Å; F734-F759 AromaticContact CD2-CZ 3.97Å; F734-F759 HydrophobicContact CD2-CZ 3.98Å; F734-F759 HydrophobicContact CE2-CD1 4.38Å; F734-F759 AromaticContact CE2-CE1 3.62Å; F734-F759 HydrophobicContact CE2-CE1 3.62Å; F734-F759 HydrophobicContact CE2-CZ 4.05Å; F734-F759 AromaticContact CG-CD1 3.67Å; F734-F759 HydrophobicContact CG-CD1 3.67Å; F734-F759 AromaticContact CG-CE1 3.66Å; F734-F759 HydrophobicContact CG-CE1 3.66Å; F734-F759 HydrophobicContact CZ-CE1 4.25Å; F734-F759 WeakPolarHBondContact O-CA 3.45Å; F734-I760 PolarHBondContact O-N 2.98Å; F734-H762 PolarHBondContact O-CE1 3.05Å
735	N	96.5	Very high	94	Very high	20 Å²	20	26.7 Å²	26.7	11%	0.107	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	122.2	-170.6	-174.6	6.6	0	0	0	112	Y702 F703 F704 K705 Y733 N737 I760	Y702-N735 PolarHBondContact OH-ND2 3.11Å; F703-N735 PolarHBondContact O-N 3.14Å; F704-N735 VanDerWaalsContact CA-O 3.31Å; F704-N735 WeakPolarHBondContact CA-O 3.34Å; F704-N735 HydrophobicContact CD2-CB 4.01Å; K705-N735 PolarHBondContact N-O 2.98Å; K705-N735 VanDerWaalsContact N-O 3.1Å; Y733-N735 HydrophobicContact CD1-CB 4.13Å; Y733-N735 HydrophobicContact CE1-CB 3.7Å; N735-N737 VanDerWaalsContact C-N 3.27Å; N735-N737 PolarHBondContact O-N 3.22Å; N735-N737 VanDerWaalsContact O-N 3.14Å; N735-I760 WeakPolarHBondContact CA-O 3.38Å
736	K	93.9	Very high	93.8	Very high	93 Å²	93	27.9 Å²	27.9	40%	0.404	13%	0.134	S	C	.	.	S	Bend	trans	54.6	29.9	175.1	-66.3	176.6	-174.2	-172.5	0	115.4	F704 K705 I760 Q761	F704-K736 HydrophobicContact CE2-CD 4.39Å; K705-K736 VanDerWaalsContact CA-O 3.3Å; K705-K736 WeakPolarHBondContact CA-O 3.45Å; K705-K736 HydrophobicContact CG-CB 4.02Å; K736-I760 PolarHBondContact N-O 2.91Å; K736-I760 VanDerWaalsContact N-O 3.07Å; K736-Q761 WeakPolarHBondContact CA-O 3.39Å; K736-Q761 HydrophobicContact CG-CB 3.79Å
737	N	91.2	Very high	93.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.			trans	-70.1	142.6	169.7	-53.7	-75.3	0	0	0	109	F703 N706 N735 H762	F703-N737 PolarHBondContact O-ND2 3.17Å; N706-N737 WeakPolarHBondContact CB-OD1 3.27Å; N706-N737 PolarHBondContact N-OD1 3.28Å; N706-N737 VanDerWaalsContact N-OD1 3.09Å; N706-N737 PolarHBondContact ND2-OD1 3.21Å; N735-N737 VanDerWaalsContact C-N 3.27Å; N735-N737 PolarHBondContact O-N 3.22Å; N735-N737 VanDerWaalsContact O-N 3.14Å; N737-H762 PolarHBondContact ND2-CE1 3.14Å; N737-H762 PolarHBondContact ND2-NE2 2.91Å; N737-H762 VanDerWaalsContact ND2-NE2 3.11Å; N737-H762 PolarHBondContact O-ND1 2.87Å
738	Q	85.9	Confident	93.2	Very high	92.3333 Å²	92.3333	25.5 Å²	25.5	43%	0.431	12%	0.121	S	C	.	.	S	Bend	trans	-73.9	-46	-168.5	-148.2	151.8	-13.4	0	0	112.4	N706 H707 H764	N706-Q738 PolarHBondContact O-N 2.96Å; H707-Q738 VanDerWaalsContact CA-OE1 3.28Å; H707-Q738 PolarHBondContact ND1-OE1 3.14Å; H707-Q738 VanDerWaalsContact ND1-OE1 3.13Å; H707-Q738 WeakPolarHBondContact O-CB 3.27Å; H707-Q738 PolarHBondContact O-OE1 3.23Å; Q738-H764 WeakPolarHBondContact O-CB 3.44Å
739	L	87.2	Confident	92.9	Very high	20.3333 Å²	20.3333	24.3 Å²	24.3	11%	0.106	11%	0.113	C	C	.	.	S	Bend	trans	-97.2	-141.7	172.2	-57.8	-179	0	0	0	110.4	R708 N709 H764 F1169 E1175	R708-L739 HydrophobicContact CB-CD1 3.98Å; R708-L739 HydrophobicContact CG-CD1 4.1Å; R708-L739 PolarHBondContact O-N 3.02Å; N709-L739 WeakPolarHBondContact OD1-CB 3.4Å; L739-H764 HydrophobicContact CD2-CB 4.42Å; L739-F1169 HydrophobicContact CD2-CE2 4.35Å; L739-E1175 HydrophobicContact CD2-CB 4.29Å
740	N	91.6	Very high	92.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.113	C	C	.	.			trans	-74.7	146.8	-176.2	-63.4	-71.8	0	0	0	112.5	N709 A710 I743 G765 V766 Y804	N709-N740 CarbonylContact C-O 3.49Å; N709-N740 WeakPolarHBondContact CA-O 3.2Å; N709-N740 WeakPolarHBondContact CB-O 3.39Å; N709-N740 WeakPolarHBondContact OD1-CB 3.34Å; N709-N740 PolarHBondContact OD1-N 2.84Å; N709-N740 VanDerWaalsContact OD1-N 3.15Å; N709-N740 PolarHBondContact OD1-ND2 3.36Å; A710-N740 PolarHBondContact N-O 3.1Å; N740-I743 HydrophobicContact CB-CB 4.48Å; N740-G765 WeakPolarHBondContact CA-O 3.27Å; N740-G765 VanDerWaalsContact OD1-C 3.27Å; N740-G765 WeakPolarHBondContact OD1-CA 3.35Å; N740-V766 PolarHBondContact OD1-N 2.95Å; N740-Y804 PolarHBondContact ND2-OH 3.12Å; N740-Y804 WeakPolarHBondContact OD1-CE2 3.27Å; N740-Y804 PolarHBondContact OD1-OH 2.96Å
741	A	95.2	Very high	92.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-66.3	-46.4	166.3	0	0	0	0	0	110.6	A710 I711 F734 F759 H762 V766	A710-A741 CarbonylContact C-O 3.52Å; A710-A741 VanDerWaalsContact CB-O 3.28Å; A710-A741 WeakPolarHBondContact CB-O 3.33Å; A710-A741 PolarHBondContact N-O 3.18Å; I711-A741 PolarHBondContact N-O 2.85Å; F734-A741 HydrophobicContact CB-CB 4.26Å; F734-A741 HydrophobicContact CD1-CB 3.74Å; F734-A741 HydrophobicContact CE1-CB 4.29Å; F734-A741 HydrophobicContact CG-CB 4.08Å; A741-F759 HydrophobicContact CB-CD1 3.59Å; A741-F759 HydrophobicContact CB-CE1 3.68Å; A741-H762 VanDerWaalsContact CB-CE1 3.49Å; A741-H762 WeakPolarHBondContact CB-CE1 3.39Å; A741-V766 CarbonylContact C-O 3.55Å; A741-V766 WeakPolarHBondContact CA-O 3.36Å; A741-V766 HydrophobicContact CB-CG1 3.74Å; A741-V766 VanDerWaalsContact CB-O 3.28Å; A741-V766 WeakPolarHBondContact CB-O 3.43Å; A741-V766 PolarHBondContact N-O 3Å
742	I	96.3	Very high	92.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.8	-176.3	-55	168.6	0	0	0	109.1	I711 F727 L729 F734 I744 I754 F759 V766 I767 Y768	I711-I742 CarbonylContact O-C 3.59Å; I711-I742 WeakPolarHBondContact O-CA 3.34Å; F727-I742 HydrophobicContact CE1-CG2 4.39Å; L729-I742 HydrophobicContact CD1-CD1 4.04Å; L729-I742 HydrophobicContact CD2-CD1 3.57Å; L729-I742 HydrophobicContact CD2-CG1 4.22Å; F734-I742 HydrophobicContact CE1-CG1 4.45Å; F734-I742 HydrophobicContact CZ-CD1 4.41Å; F734-I742 HydrophobicContact CZ-CG1 4.35Å; I742-I744 HydrophobicContact CG2-CG1 4.21Å; I742-I754 HydrophobicContact CD1-CD1 3.68Å; I742-I754 HydrophobicContact CD1-CG1 4.31Å; I742-I754 HydrophobicContact CG2-CD1 4.4Å; I742-F759 HydrophobicContact CD1-CE1 3.99Å; I742-F759 HydrophobicContact CD1-CZ 3.92Å; I742-F759 HydrophobicContact CG1-CE1 4.43Å; I742-V766 PolarHBondContact N-O 2.9Å; I742-I767 HydrophobicContact CB-CG1 4.43Å; I742-I767 HydrophobicContact CD1-CD1 4.37Å; I742-I767 HydrophobicContact CD1-CG1 4.26Å; I742-I767 WeakPolarHBondContact O-CA 3.35Å; I742-Y768 PolarHBondContact O-N 3.03Å
743	I	93.3	Very high	92.3	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.026	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.3	172.8	-175.3	166.2	0	0	0	111	N709 I711 R712 V713 N740 Y768 F1169	N709-I743 HydrophobicContact CB-CG2 4.03Å; I711-I743 PolarHBondContact O-N 2.96Å; R712-I743 WeakPolarHBondContact CA-O 3.39Å; R712-I743 HydrophobicContact CB-CG2 3.66Å; R712-I743 HydrophobicContact CG-CG2 3.71Å; V713-I743 PolarHBondContact N-O 3.3Å; N740-I743 HydrophobicContact CB-CB 4.48Å; I743-Y768 CarbonylContact C-O 3.43Å; I743-Y768 WeakPolarHBondContact CA-O 3.43Å; I743-Y768 HydrophobicContact CD1-CD1 4.13Å; I743-Y768 HydrophobicContact CG1-CD1 3.95Å; I743-Y768 HydrophobicContact CG1-CG 4.46Å; I743-F1169 HydrophobicContact CD1-CD1 4.23Å; I743-F1169 HydrophobicContact CD1-CE1 3.93Å; I743-F1169 HydrophobicContact CD1-CZ 4.21Å
744	I	93	Very high	92.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	102.1	173.9	-45.9	-173.7	0	0	0	107.9	V713 F727 I742 M747 I750 Y768 M769 D770	V713-I744 HydrophobicContact CB-CG1 4.17Å; V713-I744 HydrophobicContact CB-CG2 4.38Å; V713-I744 HydrophobicContact CG2-CG1 4.42Å; F727-I744 HydrophobicContact CD1-CD1 3.75Å; F727-I744 HydrophobicContact CE1-CD1 3.96Å; I742-I744 HydrophobicContact CG2-CG1 4.21Å; I744-M747 HydrophobicContact CB-CB 4.49Å; I744-M747 HydrophobicContact CG2-CB 3.97Å; I744-M747 HydrophobicContact CG2-CG 3.98Å; I744-I750 HydrophobicContact CD1-CD1 4.08Å; I744-I750 HydrophobicContact CG2-CD1 3.96Å; I744-Y768 PolarHBondContact N-O 3.17Å; I744-M769 HydrophobicContact CB-CG 4.3Å; I744-M769 HydrophobicContact CD1-CE 3.83Å; I744-M769 HydrophobicContact CD1-CG 4.44Å; I744-M769 HydrophobicContact CG1-CE 4.41Å; I744-M769 HydrophobicContact CG1-CG 4.39Å; I744-M769 WeakPolarHBondContact O-CA 3.37Å; I744-D770 PolarHBondContact O-N 3.16Å; I744-D770 VanDerWaalsContact O-N 3.11Å
745	S	87.5	Confident	92.3	Very high	33.6667 Å²	33.6667	24.4 Å²	24.4	24%	0.235	12%	0.124	C	C	.	.	S	Bend	trans	-153.5	127.8	178.2	179.1	0	0	0	0	110.8
746	P	85.8	Confident	92.4	Very high	32 Å²	32	26.3 Å²	26.3	21%	0.208	13%	0.134	C	C	.	.	S	Bend	cis	-66.3	147.1	-10.8	29.7	-34.4	0	0	0	110.7	S715 D770 T773	S715-P746 VanDerWaalsContact CB-O 3.3Å; S715-P746 WeakPolarHBondContact CB-O 3.37Å; S715-P746 PolarHBondContact OG-O 2.79Å; P746-D770 CarbonylContact C-O 3.44Å; P746-D770 VanDerWaalsContact CA-O 3.29Å; P746-D770 WeakPolarHBondContact CA-O 3.36Å; P746-T773 HydrophobicContact CB-CG2 3.98Å; P746-T773 HydrophobicContact CG-CG2 4.18Å
747	M	89	Confident	92.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.			trans	-94.2	100	173.6	-173.3	-179.3	-172.8	0	0	109.3	I744 I750 M769 D770 T771 I788 Y790 L810 I819	I744-M747 HydrophobicContact CB-CB 4.49Å; I744-M747 HydrophobicContact CG2-CB 3.97Å; I744-M747 HydrophobicContact CG2-CG 3.98Å; M747-I750 HydrophobicContact CB-CG2 4.5Å; M747-I750 HydrophobicContact CE-CG2 3.91Å; M747-I750 HydrophobicContact CG-CG2 3.42Å; M747-I750 VanDerWaalsContact CG-CG2 3.46Å; M747-I750 HydrophobicContact SD-CG2 4.45Å; M747-M769 HydrophobicContact CE-SD 3.97Å; M747-M769 HydrophobicContact SD-CB 3.8Å; M747-M769 HydrophobicContact SD-CG 4.18Å; M747-M769 HydrophobicContact SD-SD 4.03Å; M747-D770 PolarHBondContact N-O 3.18Å; M747-T771 HydrophobicContact CB-CG2 4.34Å; M747-T771 VanDerWaalsContact O-CG2 3.24Å; M747-T771 WeakPolarHBondContact O-CG2 3.26Å; M747-I788 HydrophobicContact CE-CG2 3.74Å; M747-I788 HydrophobicContact CG-CD1 4.38Å; M747-I788 HydrophobicContact CG-CG2 4.34Å; M747-I788 WeakPolarHBondContact O-CD1 3.35Å; M747-I788 HydrophobicContact SD-CG2 4.25Å; M747-Y790 HydrophobicContact CE-CD1 4.21Å; M747-Y790 HydrophobicContact CE-CD2 3.77Å; M747-Y790 HydrophobicContact CE-CE2 4.43Å; M747-Y790 HydrophobicContact CE-CG 3.58Å; M747-L810 HydrophobicContact SD-CD2 4.39Å; M747-I819 HydrophobicContact CE-CD1 4.21Å; M747-I819 HydrophobicContact CE-CG1 4.3Å; M747-I819 HydrophobicContact SD-CD1 3.89Å; M747-I819 HydrophobicContact SD-CG1 4.5Å
748	I	88.2	Confident	92.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.			trans	-146.3	158.6	178.5	51.8	169.1	0	0	0	110.5	S715 C716 L717 I750 L783 Y786	S715-I748 VanDerWaalsContact CB-O 3.25Å; S715-I748 WeakPolarHBondContact CB-O 3.37Å; S715-I748 WeakPolarHBondContact OG-CG1 3.36Å; S715-I748 PolarHBondContact OG-N 3.17Å; S715-I748 VanDerWaalsContact OG-N 3.12Å; S715-I748 PolarHBondContact OG-O 3.22Å; C716-I748 VanDerWaalsContact O-CD1 3.22Å; C716-I748 WeakPolarHBondContact O-CD1 3.16Å; C716-I748 WeakPolarHBondContact O-CG1 3.26Å; L717-I748 HydrophobicContact CB-CD1 4.33Å; L717-I748 HydrophobicContact CD2-CD1 3.3Å; L717-I748 VanDerWaalsContact CD2-CD1 3.43Å; L717-I748 HydrophobicContact CG-CD1 3.76Å; I748-I750 WeakPolarHBondContact O-CB 3.3Å; I748-I750 PolarHBondContact O-N 3.01Å; I748-I750 VanDerWaalsContact O-N 3.1Å; I748-L783 HydrophobicContact CD1-CD2 4.19Å; I748-L783 HydrophobicContact CG2-CD2 4.32Å; I748-Y786 HydrophobicContact CB-CD2 4.38Å; I748-Y786 HydrophobicContact CB-CG 4.32Å; I748-Y786 HydrophobicContact CD1-CD2 4.29Å; I748-Y786 HydrophobicContact CD1-CE2 4.34Å; I748-Y786 HydrophobicContact CD1-CG 4.42Å; I748-Y786 HydrophobicContact CG2-CD2 4.25Å
749	N	89.2	Confident	93.5	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.011	11%	0.105	C	C	.	.	S	Bend	trans	48.8	39.5	-179	-74.4	-34	0	0	0	112.5	C716 C718 I724 T725 Y786 P787	C716-N749 PolarHBondContact O-ND2 3.38Å; C718-N749 PolarHBondContact O-ND2 2.9Å; C718-N749 VanDerWaalsContact O-ND2 3.11Å; I724-N749 CarbonylContact C-O 3.57Å; I724-N749 WeakPolarHBondContact CA-O 3.33Å; T725-N749 PolarHBondContact N-O 2.88Å; N749-Y786 VanDerWaalsContact ND2-CD1 3.34Å; N749-Y786 WeakPolarHBondContact ND2-CD1 3.25Å; N749-Y786 VanDerWaalsContact OD1-CD1 3.24Å; N749-Y786 WeakPolarHBondContact OD1-CD1 3.42Å; N749-P787 WeakPolarHBondContact CA-O 3.16Å; N749-P787 PolarHBondContact N-O 3.15Å; N749-P787 WeakPolarHBondContact OD1-CD 3.37Å
750	I	92.3	Very high	94	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.7	-169.1	-167.4	173.8	0	0	0	111.4	V713 T725 F727 I744 M747 I748 P787 I788 D789	V713-I750 HydrophobicContact CG1-CD1 4.49Å; T725-I750 HydrophobicContact CG2-CG1 4.35Å; T725-I750 VanDerWaalsContact O-CA 3.29Å; T725-I750 WeakPolarHBondContact O-CA 3.28Å; T725-I750 WeakPolarHBondContact O-CG1 3.38Å; F727-I750 HydrophobicContact CB-CD1 4.06Å; F727-I750 HydrophobicContact CB-CG1 4.38Å; I744-I750 HydrophobicContact CD1-CD1 4.08Å; I744-I750 HydrophobicContact CG2-CD1 3.96Å; M747-I750 HydrophobicContact CB-CG2 4.5Å; M747-I750 HydrophobicContact CE-CG2 3.91Å; M747-I750 HydrophobicContact CG-CG2 3.42Å; M747-I750 VanDerWaalsContact CG-CG2 3.46Å; M747-I750 HydrophobicContact SD-CG2 4.45Å; I748-I750 WeakPolarHBondContact O-CB 3.3Å; I748-I750 PolarHBondContact O-N 3.01Å; I748-I750 VanDerWaalsContact O-N 3.1Å; I750-P787 PolarHBondContact N-O 3Å; I750-I788 HydrophobicContact CG2-CG1 4.38Å; I750-I788 HydrophobicContact CG2-CG2 4.2Å; I750-I788 WeakPolarHBondContact O-CA 3.34Å; I750-D789 PolarHBondContact O-N 2.96Å
751	I	94.2	Very high	94.2	Very high	58.6667 Å²	58.6667	23.1 Å²	23.1	30%	0.301	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	159.8	173.6	66	177.9	0	0	0	109.2	I724 T725 N726 F727 D789	I724-I751 HydrophobicContact CG2-CB 4.37Å; I724-I751 HydrophobicContact CG2-CD1 3.97Å; I724-I751 HydrophobicContact CG2-CG1 3.74Å; I724-I751 HydrophobicContact CG2-CG2 3.99Å; T725-I751 PolarHBondContact O-N 2.88Å; N726-I751 CarbonylContact C-O 3.57Å; N726-I751 VanDerWaalsContact CA-O 3.27Å; N726-I751 WeakPolarHBondContact CA-O 3.41Å; N726-I751 HydrophobicContact CB-CD1 4.3Å; N726-I751 HydrophobicContact CB-CG1 3.89Å; N726-I751 PolarHBondContact OD1-O 2.86Å; F727-I751 PolarHBondContact N-O 3.08Å; I751-D789 VanDerWaalsContact CA-O 3.28Å; I751-D789 WeakPolarHBondContact CA-O 3.25Å; I751-D789 HydrophobicContact CG2-CB 4.22Å
752	G	95.2	Very high	94	Very high	12 Å²	12	23.1 Å²	23.1	12%	0.124	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.9	-160.7	171.2	0	0	0	0	0	113.7	F727 D789 Y790 V791	F727-G752 WeakPolarHBondContact O-CA 3.46Å; G752-D789 PolarHBondContact N-O 3.01Å; G752-D789 VanDerWaalsContact N-O 3.14Å; G752-Y790 VanDerWaalsContact C-CE2 3.43Å; G752-Y790 WeakPolarHBondContact O-CA 3.28Å; G752-Y790 WeakPolarHBondContact O-CD2 3.27Å; G752-V791 PolarHBondContact O-N 3.21Å; G752-V791 VanDerWaalsContact O-N 3.11Å
753	K	97.3	Very high	93.4	Very high	105.667 Å²	105.667	28.3 Å²	28.3	46%	0.459	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	145.7	-170.3	-20.7	-174.5	-179.4	179.1	0	113	F727 T728 L729 I755 V791	F727-K753 PolarHBondContact O-N 2.85Å; T728-K753 CarbonylContact C-O 3.52Å; T728-K753 VanDerWaalsContact CA-O 3.3Å; T728-K753 WeakPolarHBondContact CA-O 3.34Å; T728-K753 HydrophobicContact CG2-CB 4.49Å; T728-K753 HydrophobicContact CG2-CG 3.75Å; L729-K753 PolarHBondContact N-O 2.95Å; K753-I755 HydrophobicContact CB-CG2 3.91Å; K753-I755 HydrophobicContact CD-CG2 4.48Å; K753-I755 HydrophobicContact CG-CG2 4.44Å; K753-V791 CarbonylContact C-O 3.51Å; K753-V791 WeakPolarHBondContact CA-O 3.32Å; K753-V791 HydrophobicContact CB-CB 4.3Å; K753-V791 VanDerWaalsContact CB-O 3.23Å; K753-V791 WeakPolarHBondContact CB-O 3.26Å; K753-V791 HydrophobicContact CG-CB 4.24Å
754	I	98.2	Very high	92.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.9	162.3	-65.1	165.8	0	0	0	107.4	L729 I742 F759 I767 M769 Y790 V791 I792 S793 N795	L729-I754 HydrophobicContact CB-CG1 4.22Å; L729-I754 HydrophobicContact CD2-CG1 4.36Å; L729-I754 HydrophobicContact CD2-CG2 4.07Å; L729-I754 CarbonylContact O-C 3.55Å; L729-I754 WeakPolarHBondContact O-CA 3.3Å; I742-I754 HydrophobicContact CD1-CD1 3.68Å; I742-I754 HydrophobicContact CD1-CG1 4.31Å; I742-I754 HydrophobicContact CG2-CD1 4.4Å; I754-F759 HydrophobicContact CG2-CZ 4.33Å; I754-I767 HydrophobicContact CD1-CD1 3.99Å; I754-M769 HydrophobicContact CD1-CE 3.34Å; I754-M769 HydrophobicContact CG1-CE 4.44Å; I754-Y790 HydrophobicContact CD1-CE1 3.99Å; I754-Y790 HydrophobicContact CG1-CE1 3.85Å; I754-Y790 WeakPolarHBondContact CG1-OH 3.29Å; I754-V791 PolarHBondContact N-O 3.15Å; I754-I792 HydrophobicContact CB-CG1 4.43Å; I754-I792 HydrophobicContact CB-CG2 4.43Å; I754-I792 HydrophobicContact CD1-CG1 4.43Å; I754-I792 WeakPolarHBondContact O-CA 3.23Å; I754-S793 PolarHBondContact O-N 3.12Å; I754-N795 PolarHBondContact O-ND2 3.04Å
755	I	97.9	Very high	92.7	Very high	38.3333 Å²	38.3333	28.4 Å²	28.4	20%	0.197	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.9	-172.6	163.3	168.2	0	0	0	114.2	L729 G730 Y731 K753 S757 S793 Y794 N795	L729-I755 PolarHBondContact O-N 3.11Å; G730-I755 CarbonylContact C-O 3.59Å; G730-I755 VanDerWaalsContact CA-O 3.24Å; G730-I755 WeakPolarHBondContact CA-O 3.42Å; Y731-I755 PolarHBondContact N-O 3.19Å; Y731-I755 VanDerWaalsContact N-O 3.12Å; K753-I755 HydrophobicContact CB-CG2 3.91Å; K753-I755 HydrophobicContact CD-CG2 4.48Å; K753-I755 HydrophobicContact CG-CG2 4.44Å; I755-S757 PolarHBondContact O-N 3.25Å; I755-S757 PolarHBondContact O-OG 3.28Å; I755-S793 VanDerWaalsContact CA-O 3.25Å; I755-S793 WeakPolarHBondContact CA-O 3.39Å; I755-Y794 HydrophobicContact CD1-CD2 4.11Å; I755-Y794 HydrophobicContact CG1-CD2 4.23Å; I755-N795 WeakPolarHBondContact CA-OD1 3.23Å
756	N	97.8	Very high	93.1	Very high	59.3333 Å²	59.3333	26.8 Å²	26.8	32%	0.317	14%	0.14	S	C	.	.	S	Bend	trans	49.5	30.2	171	-69.9	-19.9	0	0	0	114.4	Y731 S793 Y794 N795	Y731-N756 VanDerWaalsContact CA-O 3.28Å; Y731-N756 WeakPolarHBondContact CA-O 3.41Å; Y731-N756 HydrophobicContact CD1-CB 3.68Å; Y731-N756 HydrophobicContact CE1-CB 3.65Å; Y731-N756 VanDerWaalsContact CE1-ND2 3.27Å; Y731-N756 WeakPolarHBondContact CE1-ND2 3.31Å; Y731-N756 HydrophobicContact CG-CB 4.21Å; Y731-N756 VanDerWaalsContact CZ-ND2 3.3Å; Y731-N756 PolarHBondContact N-O 3.36Å; Y731-N756 PolarHBondContact OH-ND2 3.3Å; Y731-N756 VanDerWaalsContact OH-ND2 3.1Å; N756-S793 PolarHBondContact N-O 3.14Å; N756-Y794 VanDerWaalsContact CA-O 3.31Å; N756-Y794 WeakPolarHBondContact CA-O 3.37Å; N756-Y794 PolarHBondContact N-O 3.36Å; N756-Y794 WeakPolarHBondContact OD1-CB 3.36Å; N756-N795 PolarHBondContact N-OD1 3.28Å
757	S	98.4	Very high	93.6	Very high	0.333333 Å²	0.333333	25.3 Å²	25.3	0%	0.002	13%	0.13	C	C	.	.			trans	-106.5	151.8	-177.5	-60.8	0	0	0	0	110.9	L729 Y731 S732 I755 N795 E796	L729-S757 VanDerWaalsContact CD2-OG 3.26Å; L729-S757 WeakPolarHBondContact CD2-OG 3.49Å; Y731-S757 PolarHBondContact N-OG 2.85Å; S732-S757 PolarHBondContact N-OG 3.01Å; S732-S757 CarbonylContact O-C 3.5Å; S732-S757 VanDerWaalsContact O-CA 3.24Å; S732-S757 WeakPolarHBondContact O-CA 3.45Å; S732-S757 VanDerWaalsContact O-CB 3.27Å; S732-S757 WeakPolarHBondContact O-CB 3.24Å; I755-S757 PolarHBondContact O-N 3.25Å; I755-S757 PolarHBondContact O-OG 3.28Å; S757-N795 WeakPolarHBondContact CB-OD1 3.45Å; S757-N795 PolarHBondContact N-OD1 2.89Å; S757-N795 CarbonylContact O-C 3.4Å; S757-N795 VanDerWaalsContact O-CA 3.26Å; S757-N795 WeakPolarHBondContact O-CA 3.27Å; S757-N795 WeakPolarHBondContact O-CB 3.37Å; S757-E796 PolarHBondContact O-N 3.2Å
758	T	98.3	Very high	93.8	Very high	36.3333 Å²	36.3333	26.7 Å²	26.7	22%	0.223	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.4	-175.1	-53.1	0	0	0	0	110.4	S732 Y733 F734 I760 E796	S732-T758 PolarHBondContact O-N 3.04Å; Y733-T758 WeakPolarHBondContact CA-O 3.44Å; Y733-T758 HydrophobicContact CD2-CG2 4.03Å; Y733-T758 HydrophobicContact CE2-CG2 3.83Å; F734-T758 PolarHBondContact N-O 3.01Å; T758-I760 HydrophobicContact CG2-CD1 3.6Å; T758-I760 VanDerWaalsContact CG2-CD1 3.48Å; T758-I760 HydrophobicContact CG2-CG1 3.87Å; T758-E796 CarbonylContact C-O 3.13Å; T758-E796 WeakPolarHBondContact CA-O 3.3Å; T758-E796 HydrophobicContact CG2-CB 4.45Å
759	F	98.2	Very high	94.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.2	-177	-56.2	-90.6	0	0	0	110.3	F734 A741 I742 I754 V766 I767 N795 E796 F797 N798 N800	F734-F759 HydrophobicContact CB-CD1 3.61Å; F734-F759 HydrophobicContact CB-CE1 4.15Å; F734-F759 HydrophobicContact CB-CG 4.44Å; F734-F759 HydrophobicContact CD1-CD1 4.49Å; F734-F759 HydrophobicContact CD1-CE1 4.29Å; F734-F759 AromaticContact CD2-CD1 3.59Å; F734-F759 HydrophobicContact CD2-CD1 3.59Å; F734-F759 AromaticContact CD2-CE1 3.27Å; F734-F759 HydrophobicContact CD2-CE1 3.27Å; F734-F759 HydrophobicContact CD2-CG 4.48Å; F734-F759 AromaticContact CD2-CZ 3.97Å; F734-F759 HydrophobicContact CD2-CZ 3.98Å; F734-F759 HydrophobicContact CE2-CD1 4.38Å; F734-F759 AromaticContact CE2-CE1 3.62Å; F734-F759 HydrophobicContact CE2-CE1 3.62Å; F734-F759 HydrophobicContact CE2-CZ 4.05Å; F734-F759 AromaticContact CG-CD1 3.67Å; F734-F759 HydrophobicContact CG-CD1 3.67Å; F734-F759 AromaticContact CG-CE1 3.66Å; F734-F759 HydrophobicContact CG-CE1 3.66Å; F734-F759 HydrophobicContact CZ-CE1 4.25Å; F734-F759 WeakPolarHBondContact O-CA 3.45Å; A741-F759 HydrophobicContact CB-CD1 3.59Å; A741-F759 HydrophobicContact CB-CE1 3.68Å; I742-F759 HydrophobicContact CD1-CE1 3.99Å; I742-F759 HydrophobicContact CD1-CZ 3.92Å; I742-F759 HydrophobicContact CG1-CE1 4.43Å; I754-F759 HydrophobicContact CG2-CZ 4.33Å; F759-V766 HydrophobicContact CB-CG1 3.5Å; F759-V766 VanDerWaalsContact CB-CG1 3.49Å; F759-V766 HydrophobicContact CD1-CG1 3.2Å; F759-V766 HydrophobicContact CD2-CG1 4.19Å; F759-V766 HydrophobicContact CE1-CG1 3.92Å; F759-V766 HydrophobicContact CG-CG1 3.37Å; F759-V766 VanDerWaalsContact CG-CG1 3.42Å; F759-I767 HydrophobicContact CE2-CD1 4.46Å; F759-I767 HydrophobicContact CZ-CD1 4.32Å; F759-N795 HydrophobicContact CE2-CB 4.24Å; F759-E796 PolarHBondContact N-O 2.62Å; F759-F797 HydrophobicContact CB-CD1 3.88Å; F759-F797 HydrophobicContact CB-CE1 4.29Å; F759-F797 AromaticContact CD2-CD1 3.7Å; F759-F797 HydrophobicContact CD2-CD1 3.7Å; F759-F797 AromaticContact CD2-CE1 3.35Å; F759-F797 HydrophobicContact CD2-CE1 3.35Å; F759-F797 HydrophobicContact CD2-CG 4.44Å; F759-F797 AromaticContact CD2-CZ 3.84Å; F759-F797 HydrophobicContact CD2-CZ 3.84Å; F759-F797 HydrophobicContact CE2-CD1 4.49Å; F759-F797 AromaticContact CE2-CE1 3.75Å; F759-F797 HydrophobicContact CE2-CE1 3.75Å; F759-F797 AromaticContact CE2-CZ 3.9Å; F759-F797 HydrophobicContact CE2-CZ 3.9Å; F759-F797 AromaticContact CG-CD1 3.99Å; F759-F797 HydrophobicContact CG-CD1 4Å; F759-F797 AromaticContact CG-CE1 3.88Å; F759-F797 HydrophobicContact CG-CE1 3.88Å; F759-N798 PolarHBondContact O-N 3.08Å; F759-N800 PolarHBondContact O-ND2 3.02Å; F759-N800 PolarHBondContact O-OD1 2.87Å
760	I	97.4	Very high	94.1	Very high	27 Å²	27	26.9 Å²	26.9	14%	0.138	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.9	-170.5	-63.6	173.4	0	0	0	112.2	Y733 F734 N735 K736 T758 H762 N798 N800	Y733-I760 HydrophobicContact CE2-CD1 3.92Å; Y733-I760 WeakPolarHBondContact OH-CD1 3.4Å; F734-I760 PolarHBondContact O-N 2.98Å; N735-I760 WeakPolarHBondContact CA-O 3.38Å; K736-I760 PolarHBondContact N-O 2.91Å; K736-I760 VanDerWaalsContact N-O 3.07Å; T758-I760 HydrophobicContact CG2-CD1 3.6Å; T758-I760 VanDerWaalsContact CG2-CD1 3.48Å; T758-I760 HydrophobicContact CG2-CG1 3.87Å; I760-H762 VanDerWaalsContact C-N 3.27Å; I760-H762 PolarHBondContact O-N 2.92Å; I760-H762 VanDerWaalsContact O-N 3.17Å; I760-H762 PolarHBondContact O-ND1 3.08Å; I760-N798 WeakPolarHBondContact CA-O 3.34Å; I760-N798 HydrophobicContact CG1-CB 4.24Å; I760-N800 VanDerWaalsContact C-OD1 3.23Å; I760-N800 WeakPolarHBondContact CA-OD1 3.44Å
761	Q	94.4	Very high	93.8	Very high	75 Å²	75	26.9 Å²	26.9	35%	0.35	14%	0.137	S	C	.	.			trans	55.2	32.9	168.7	-69.9	174.7	-14.9	0	0	115.2	K736 N798 N799 N800	K736-Q761 WeakPolarHBondContact CA-O 3.39Å; K736-Q761 HydrophobicContact CG-CB 3.79Å; Q761-N798 PolarHBondContact N-O 3.12Å; Q761-N799 VanDerWaalsContact CA-O 3.31Å; Q761-N799 WeakPolarHBondContact CA-O 3.23Å; Q761-N799 HydrophobicContact CG-CB 4.27Å; Q761-N799 PolarHBondContact N-O 3.35Å; Q761-N800 PolarHBondContact N-OD1 3.28Å; Q761-N800 VanDerWaalsContact N-OD1 3.13Å
762	H	92.1	Very high	92.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.			trans	-68.1	149.6	166.6	-67.5	78.4	0	0	0	110.7	F734 N737 A741 I760 V766 N800 Y801	F734-H762 PolarHBondContact O-CE1 3.05Å; N737-H762 PolarHBondContact ND2-CE1 3.14Å; N737-H762 PolarHBondContact ND2-NE2 2.91Å; N737-H762 VanDerWaalsContact ND2-NE2 3.11Å; N737-H762 PolarHBondContact O-ND1 2.87Å; A741-H762 VanDerWaalsContact CB-CE1 3.49Å; A741-H762 WeakPolarHBondContact CB-CE1 3.39Å; I760-H762 VanDerWaalsContact C-N 3.27Å; I760-H762 PolarHBondContact O-N 2.92Å; I760-H762 VanDerWaalsContact O-N 3.17Å; I760-H762 PolarHBondContact O-ND1 3.08Å; H762-V766 HydrophobicContact CB-CG2 4.03Å; H762-N800 HydrophobicContact CB-CB 4.38Å; H762-N800 PolarHBondContact CD2-OD1 2.88Å; H762-N800 PolarHBondContact N-OD1 3.14Å; H762-N800 PolarHBondContact ND1-OD1 2.84Å; H762-Y801 PolarHBondContact O-N 2.95Å
763	L	83.5	Confident	90.5	Very high	109.333 Å²	109.333	28 Å²	28	57%	0.572	15%	0.146	S	C	*	.	S	Bend	trans	-103.3	-24.4	-173.7	-64.8	178.6	0	0	0	114.5	Y801 G802	L763-Y801 CarbonylContact C-O 3.56Å; L763-Y801 VanDerWaalsContact C-O 3.3Å; L763-Y801 HydrophobicContact CD2-CD2 4.45Å; L763-Y801 CarbonylContact O-C 3.51Å; L763-G802 VanDerWaalsContact O-CA 3.25Å; L763-G802 WeakPolarHBondContact O-CA 3.33Å; L763-G802 PolarHBondContact O-N 2.82Å
764	H	83.3	Confident	88.2	Confident	7.66667 Å²	7.66667	28 Å²	28	4%	0.035	16%	0.155	C	C	.	.	S	Bend	trans	-115.5	-49.1	-175.6	178.1	87.2	0	0	0	113.4	Q738 L739 Y801 G802 S803 Y804 F1169 E1175	Q738-H764 WeakPolarHBondContact O-CB 3.44Å; L739-H764 HydrophobicContact CD2-CB 4.42Å; H764-Y801 CarbonylContact C-O 3.44Å; H764-Y801 PolarHBondContact N-O 3.28Å; H764-G802 CarbonylContact O-C 3.53Å; H764-G802 VanDerWaalsContact O-CA 3.22Å; H764-G802 WeakPolarHBondContact O-CA 3.42Å; H764-S803 PolarHBondContact O-N 3.12Å; H764-S803 VanDerWaalsContact O-N 3.17Å; H764-Y804 PolarHBondContact NE2-OH 2.94Å; H764-F1169 AromaticContact CE1-CD2 3.55Å; H764-F1169 PolarHBondContact CE1-O 3.06Å; H764-F1169 AromaticContact NE2-CD2 3.12Å; H764-F1169 WeakPolarHBondContact NE2-CD2 3.43Å; H764-F1169 AromaticContact NE2-CE2 3.79Å; H764-F1169 AromaticContact NE2-CG 3.92Å; H764-E1175 IonicContact CE1-OE1 3.39Å; H764-E1175 IonicContact CE1-OE2 2.85Å; H764-E1175 PolarHBondContact CE1-OE2 2.98Å; H764-E1175 IonicContact CG-OE1 2.63Å; H764-E1175 IonicContact ND1-OE1 3.59Å; H764-E1175 PolarHBondContact ND1-OE1 3.06Å; H764-E1175 IonicContact ND1-OE2 2.99Å; H764-E1175 PolarHBondContact ND1-OE2 2.93Å
765	G	87.5	Confident	85.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.			trans	-175.1	173.3	177.9	0	0	0	0	0	112.1	N740 Y804	N740-G765 WeakPolarHBondContact CA-O 3.27Å; N740-G765 VanDerWaalsContact OD1-C 3.27Å; N740-G765 WeakPolarHBondContact OD1-CA 3.35Å; G765-Y804 WeakPolarHBondContact CA-O 3.38Å
766	V	95.9	Very high	83.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-116.8	-62	-177.3	-169.6	0	0	0	0	111.8	N740 A741 I742 F759 H762 F797 N800 I805	N740-V766 PolarHBondContact OD1-N 2.95Å; A741-V766 CarbonylContact C-O 3.55Å; A741-V766 WeakPolarHBondContact CA-O 3.36Å; A741-V766 HydrophobicContact CB-CG1 3.74Å; A741-V766 VanDerWaalsContact CB-O 3.28Å; A741-V766 WeakPolarHBondContact CB-O 3.43Å; A741-V766 PolarHBondContact N-O 3Å; I742-V766 PolarHBondContact N-O 2.9Å; F759-V766 HydrophobicContact CB-CG1 3.5Å; F759-V766 VanDerWaalsContact CB-CG1 3.49Å; F759-V766 HydrophobicContact CD1-CG1 3.2Å; F759-V766 HydrophobicContact CD2-CG1 4.19Å; F759-V766 HydrophobicContact CE1-CG1 3.92Å; F759-V766 HydrophobicContact CG-CG1 3.37Å; F759-V766 VanDerWaalsContact CG-CG1 3.42Å; H762-V766 HydrophobicContact CB-CG2 4.03Å; V766-F797 HydrophobicContact CB-CD1 4.24Å; V766-F797 HydrophobicContact CB-CE1 4.32Å; V766-F797 HydrophobicContact CG1-CD1 3.89Å; V766-F797 HydrophobicContact CG1-CE1 3.77Å; V766-F797 HydrophobicContact CG2-CD1 4.4Å; V766-N800 HydrophobicContact CG2-CB 3.99Å; V766-I805 CarbonylContact C-O 3.4Å; V766-I805 WeakPolarHBondContact CA-O 3.24Å; V766-I805 HydrophobicContact CB-CG2 4.08Å; V766-I805 VanDerWaalsContact CB-O 3.23Å; V766-I805 WeakPolarHBondContact CB-O 3.4Å; V766-I805 HydrophobicContact CG2-CG2 3.7Å; V766-I805 PolarHBondContact N-O 2.93Å; V766-I805 VanDerWaalsContact N-O 3.13Å
767	I	96.5	Very high	81.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124	-179.3	-60.4	179.8	0	0	0	109.4	I742 I754 F759 M769 I792 F797 I805 I806 Y807	I742-I767 HydrophobicContact CB-CG1 4.43Å; I742-I767 HydrophobicContact CD1-CD1 4.37Å; I742-I767 HydrophobicContact CD1-CG1 4.26Å; I742-I767 WeakPolarHBondContact O-CA 3.35Å; I754-I767 HydrophobicContact CD1-CD1 3.99Å; F759-I767 HydrophobicContact CE2-CD1 4.46Å; F759-I767 HydrophobicContact CZ-CD1 4.32Å; I767-M769 HydrophobicContact CG2-CE 3.76Å; I767-M769 HydrophobicContact CG2-CG 3.94Å; I767-M769 HydrophobicContact CG2-SD 4.24Å; I767-I792 HydrophobicContact CD1-CG2 4.45Å; I767-I792 HydrophobicContact CG2-CD1 4.4Å; I767-F797 HydrophobicContact CD1-CE1 3.84Å; I767-F797 HydrophobicContact CD1-CZ 3.75Å; I767-F797 HydrophobicContact CG1-CE1 4.22Å; I767-I805 PolarHBondContact N-O 3.18Å; I767-I806 HydrophobicContact CB-CB 4.47Å; I767-I806 HydrophobicContact CB-CG1 4.17Å; I767-I806 HydrophobicContact CB-CG2 4.12Å; I767-I806 HydrophobicContact CD1-CD1 4.29Å; I767-I806 HydrophobicContact CD1-CG1 4.5Å; I767-I806 HydrophobicContact CG2-CG2 4.27Å; I767-I806 CarbonylContact O-C 3.51Å; I767-I806 VanDerWaalsContact O-CA 3.3Å; I767-I806 WeakPolarHBondContact O-CA 3.34Å; I767-Y807 PolarHBondContact O-N 3.04Å
768	Y	94.2	Very high	79.4	Confident	29.3333 Å²	29.3333	46 Å²	46	12%	0.115	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	116	171.7	-172.7	-84	0	0	0	109.8	I742 I743 I744 D770 Y804 Y807 F1169	I742-Y768 PolarHBondContact O-N 3.03Å; I743-Y768 CarbonylContact C-O 3.43Å; I743-Y768 WeakPolarHBondContact CA-O 3.43Å; I743-Y768 HydrophobicContact CD1-CD1 4.13Å; I743-Y768 HydrophobicContact CG1-CD1 3.95Å; I743-Y768 HydrophobicContact CG1-CG 4.46Å; I744-Y768 PolarHBondContact N-O 3.17Å; Y768-D770 HydrophobicContact CD1-CB 4.39Å; Y768-D770 HydrophobicContact CE1-CB 3.58Å; Y768-D770 VanDerWaalsContact CE1-CB 3.46Å; Y768-D770 PolarHBondContact OH-OD2 2.88Å; Y768-Y804 HydrophobicContact CD2-CE1 4.35Å; Y768-Y804 AromaticContact CD2-CE2 3.97Å; Y768-Y804 HydrophobicContact CD2-CE2 3.98Å; Y768-Y804 AromaticContact CD2-CZ 3.67Å; Y768-Y804 WeakPolarHBondContact CD2-OH 3.08Å; Y768-Y807 AromaticContact CD2-CD1 3.72Å; Y768-Y807 HydrophobicContact CD2-CD1 3.72Å; Y768-Y807 HydrophobicContact CD2-CD2 4.44Å; Y768-Y807 HydrophobicContact CD2-CE1 4.43Å; Y768-Y807 AromaticContact CD2-CG 3.73Å; Y768-Y807 HydrophobicContact CD2-CG 3.73Å; Y768-Y807 HydrophobicContact CE1-CD1 4.37Å; Y768-Y807 AromaticContact CE2-CD1 3.4Å; Y768-Y807 HydrophobicContact CE2-CD1 3.4Å; Y768-Y807 VanDerWaalsContact CE2-CD1 3.41Å; Y768-Y807 HydrophobicContact CE2-CD2 4.15Å; Y768-Y807 AromaticContact CE2-CE1 3.8Å; Y768-Y807 HydrophobicContact CE2-CE1 3.8Å; Y768-Y807 HydrophobicContact CE2-CE2 4.44Å; Y768-Y807 AromaticContact CE2-CG 3.62Å; Y768-Y807 HydrophobicContact CE2-CG 3.62Å; Y768-Y807 HydrophobicContact CG-CD1 4.4Å; Y768-Y807 AromaticContact CZ-CD1 3.84Å; Y768-Y807 AromaticContact CZ-CE1 3.83Å; Y768-F1169 HydrophobicContact CE2-CB 4.21Å
769	M	94.1	Very high	77.5	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.9	176.7	-66.7	-177.6	-178.9	0	0	109.5	I744 M747 I754 I767 Y790 I792 Y807 L808 S809	I744-M769 HydrophobicContact CB-CG 4.3Å; I744-M769 HydrophobicContact CD1-CE 3.83Å; I744-M769 HydrophobicContact CD1-CG 4.44Å; I744-M769 HydrophobicContact CG1-CE 4.41Å; I744-M769 HydrophobicContact CG1-CG 4.39Å; I744-M769 WeakPolarHBondContact O-CA 3.37Å; M747-M769 HydrophobicContact CE-SD 3.97Å; M747-M769 HydrophobicContact SD-CB 3.8Å; M747-M769 HydrophobicContact SD-CG 4.18Å; M747-M769 HydrophobicContact SD-SD 4.03Å; I754-M769 HydrophobicContact CD1-CE 3.34Å; I754-M769 HydrophobicContact CG1-CE 4.44Å; I767-M769 HydrophobicContact CG2-CE 3.76Å; I767-M769 HydrophobicContact CG2-CG 3.94Å; I767-M769 HydrophobicContact CG2-SD 4.24Å; M769-Y790 HydrophobicContact CE-CD1 4.13Å; M769-Y790 HydrophobicContact CE-CE1 3.66Å; M769-Y790 HydrophobicContact SD-CD1 4.21Å; M769-Y790 HydrophobicContact SD-CE1 4.33Å; M769-I792 HydrophobicContact CE-CD1 4.15Å; M769-I792 HydrophobicContact SD-CD1 4.07Å; M769-Y807 PolarHBondContact N-O 3.02Å; M769-L808 HydrophobicContact CB-CD2 3.98Å; M769-L808 HydrophobicContact CG-CD2 4.3Å; M769-L808 CarbonylContact O-C 3.53Å; M769-L808 WeakPolarHBondContact O-CA 3.43Å; M769-L808 HydrophobicContact SD-CD2 4.07Å; M769-S809 PolarHBondContact O-N 3.22Å
770	D	89.9	Confident	75.9	Confident	5.33333 Å²	5.33333	49.7 Å²	49.7	3%	0.029	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.7	-178.5	-171.7	19.1	0	0	0	111.7	I744 P746 M747 Y768 S772 Y807 S809	I744-D770 PolarHBondContact O-N 3.16Å; I744-D770 VanDerWaalsContact O-N 3.11Å; P746-D770 CarbonylContact C-O 3.44Å; P746-D770 VanDerWaalsContact CA-O 3.29Å; P746-D770 WeakPolarHBondContact CA-O 3.36Å; M747-D770 PolarHBondContact N-O 3.18Å; Y768-D770 HydrophobicContact CD1-CB 4.39Å; Y768-D770 HydrophobicContact CE1-CB 3.58Å; Y768-D770 VanDerWaalsContact CE1-CB 3.46Å; Y768-D770 PolarHBondContact OH-OD2 2.88Å; D770-S772 VanDerWaalsContact CG-N 3.31Å; D770-S772 VanDerWaalsContact CG-OG 3.31Å; D770-S772 WeakPolarHBondContact OD1-CB 3.23Å; D770-S772 PolarHBondContact OD1-N 3.07Å; D770-S772 PolarHBondContact OD1-OG 3.21Å; D770-S772 VanDerWaalsContact OD1-OG 3.13Å; D770-S772 WeakPolarHBondContact OD2-CB 3.16Å; D770-S772 PolarHBondContact OD2-OG 2.97Å; D770-Y807 HydrophobicContact CB-CD1 4.47Å; D770-Y807 HydrophobicContact CB-CE1 4.14Å; D770-S809 WeakPolarHBondContact CA-O 3.2Å; D770-S809 WeakPolarHBondContact OD1-CB 3.32Å; D770-S809 PolarHBondContact OD1-OG 2.9Å
771	T	85.2	Confident	74.3	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	28%	0.275	C	S	.	.			trans	-84.9	-20.1	169.8	52	0	0	0	0	113.3	M747 T773 I788 S809 L810 I811	M747-T771 HydrophobicContact CB-CG2 4.34Å; M747-T771 VanDerWaalsContact O-CG2 3.24Å; M747-T771 WeakPolarHBondContact O-CG2 3.26Å; T771-T773 PolarHBondContact O-N 2.77Å; T771-I788 HydrophobicContact CG2-CD1 3.38Å; T771-S809 PolarHBondContact N-O 3.09Å; T771-S809 VanDerWaalsContact N-O 3.11Å; T771-S809 PolarHBondContact OG1-O 3.06Å; T771-L810 HydrophobicContact CG2-CB 4.45Å; T771-L810 HydrophobicContact CG2-CD2 3.6Å; T771-L810 WeakPolarHBondContact OG1-CA 3.45Å; T771-I811 HydrophobicContact CG2-CG1 4.43Å; T771-I811 PolarHBondContact OG1-N 3.09Å; T771-I811 VanDerWaalsContact OG1-N 3.15Å
772	S	66.9	Low	73.1	Confident	44.6667 Å²	44.6667	55.8 Å²	55.8	31%	0.312	29%	0.287	S	S	.	.			trans	-72.7	136.1	-163.5	87	0	0	0	0	111.8	D770 T774	D770-S772 VanDerWaalsContact CG-N 3.31Å; D770-S772 VanDerWaalsContact CG-OG 3.31Å; D770-S772 WeakPolarHBondContact OD1-CB 3.23Å; D770-S772 PolarHBondContact OD1-N 3.07Å; D770-S772 PolarHBondContact OD1-OG 3.21Å; D770-S772 VanDerWaalsContact OD1-OG 3.13Å; D770-S772 WeakPolarHBondContact OD2-CB 3.16Å; D770-S772 PolarHBondContact OD2-OG 2.97Å; S772-T774 WeakPolarHBondContact OG-CG2 3Å
773	T	54	Low	72.4	Confident	48.6667 Å²	48.6667	56.4 Å²	56.4	30%	0.299	29%	0.29	S	S	.	.			trans	-102.2	95.1	155.1	48.9	0	0	0	0	105.4	P746 T771 N775 H776 Q779 L783	P746-T773 HydrophobicContact CB-CG2 3.98Å; P746-T773 HydrophobicContact CG-CG2 4.18Å; T771-T773 PolarHBondContact O-N 2.77Å; T773-N775 PolarHBondContact O-N 2.87Å; T773-N775 VanDerWaalsContact O-N 3.09Å; T773-H776 PolarHBondContact O-N 3.4Å; T773-Q779 VanDerWaalsContact CB-OE1 3.26Å; T773-Q779 PolarHBondContact O-OE1 2.65Å; T773-Q779 WeakPolarHBondContact OG1-CB 3.25Å; T773-Q779 PolarHBondContact OG1-OE1 2.92Å; T773-L783 HydrophobicContact CG2-CD1 3.81Å
774	T	48.6	Very low	72.2	Confident	106 Å²	106	55.8 Å²	55.8	65%	0.65	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-21.6	81.8	179.1	45.3	0	0	0	0	113.8	S772 H776	S772-T774 WeakPolarHBondContact OG-CG2 3Å; T774-H776 VanDerWaalsContact C-N 3.3Å; T774-H776 PolarHBondContact O-CD2 2.89Å; T774-H776 PolarHBondContact O-N 3.27Å
775	N	47.4	Very low	72	Confident	142.333 Å²	142.333	61.7 Å²	61.7	76%	0.761	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	6.3	170.5	-61.2	-12	0	0	0	118.8	T773	T773-N775 PolarHBondContact O-N 2.87Å; T773-N775 VanDerWaalsContact O-N 3.09Å
776	H	51.3	Low	71.9	Confident	110 Å²	110	62.8 Å²	62.8	51%	0.509	31%	0.312	S	S	.	.			trans	-117.5	92.8	-179.5	-70.4	-49.6	0	0	0	114.2	T773 T774 F778 Q779 S780	T773-H776 PolarHBondContact O-N 3.4Å; T774-H776 VanDerWaalsContact C-N 3.3Å; T774-H776 PolarHBondContact O-CD2 2.89Å; T774-H776 PolarHBondContact O-N 3.27Å; H776-F778 PolarHBondContact O-N 3.07Å; H776-F778 VanDerWaalsContact O-N 3.13Å; H776-Q779 HydrophobicContact CB-CB 4.03Å; H776-Q779 HydrophobicContact CB-CG 3.99Å; H776-Q779 PolarHBondContact CD2-OE1 3.21Å; H776-Q779 PolarHBondContact O-N 3.08Å; H776-S780 PolarHBondContact O-N 3.06Å
777	L	55.8	Low	71.6	Confident	81.6667 Å²	81.6667	64.6 Å²	64.6	43%	0.428	32%	0.324	S	S	.	.	H	α-helix	trans	-45.9	-39.7	170.9	-80	160.3	0	0	0	113.1	Q779 S780 Q781 V1322 F1326	L777-Q779 PolarHBondContact O-N 3.12Å; L777-S780 PolarHBondContact O-N 3.24Å; L777-S780 PolarHBondContact O-OG 3.03Å; L777-Q781 WeakPolarHBondContact O-CG 3.48Å; L777-Q781 PolarHBondContact O-N 2.9Å; L777-V1322 HydrophobicContact CD1-CG1 4.16Å; L777-F1326 HydrophobicContact CD1-CD2 4.18Å; L777-F1326 HydrophobicContact CD1-CE2 4Å; L777-F1326 HydrophobicContact CD2-CE2 4.31Å
778	F	53.6	Low	71.5	Confident	141.333 Å²	141.333	64.7 Å²	64.7	62%	0.62	32%	0.324	S	S	*	.	H	α-helix	trans	-67.1	-39.5	178.3	-68.2	-72.8	0	0	0	113.5	H776 S780 Q781 Q782	H776-F778 PolarHBondContact O-N 3.07Å; H776-F778 VanDerWaalsContact O-N 3.13Å; F778-S780 VanDerWaalsContact C-N 3.31Å; F778-S780 PolarHBondContact O-N 2.84Å; F778-Q781 PolarHBondContact O-N 2.92Å; F778-Q782 PolarHBondContact O-N 3.2Å
779	Q	57.5	Low	71.5	Confident	79 Å²	79	67 Å²	67	37%	0.369	34%	0.338	S	S	.	.	H	α-helix	trans	-68.3	-39.6	176	-72.5	179.6	-9.9	0	0	110.6	T773 H776 L777 Q781 Q782 L783	T773-Q779 VanDerWaalsContact CB-OE1 3.26Å; T773-Q779 PolarHBondContact O-OE1 2.65Å; T773-Q779 WeakPolarHBondContact OG1-CB 3.25Å; T773-Q779 PolarHBondContact OG1-OE1 2.92Å; H776-Q779 HydrophobicContact CB-CB 4.03Å; H776-Q779 HydrophobicContact CB-CG 3.99Å; H776-Q779 PolarHBondContact CD2-OE1 3.21Å; H776-Q779 PolarHBondContact O-N 3.08Å; L777-Q779 PolarHBondContact O-N 3.12Å; Q779-Q781 VanDerWaalsContact C-N 3.25Å; Q779-Q781 PolarHBondContact O-N 2.9Å; Q779-Q782 WeakPolarHBondContact O-CB 2.96Å; Q779-Q782 PolarHBondContact O-N 2.93Å; Q779-Q782 VanDerWaalsContact O-N 3.12Å; Q779-L783 WeakPolarHBondContact O-CB 3.1Å; Q779-L783 VanDerWaalsContact O-CG 3.27Å; Q779-L783 WeakPolarHBondContact O-CG 3.08Å; Q779-L783 PolarHBondContact O-N 2.85Å
780	S	64.7	Low	71.6	Confident	36 Å²	36	67 Å²	67	25%	0.252	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-33.2	176.9	77.3	0	0	0	0	113.1	H776 L777 F778 Q782 L783 R784	H776-S780 PolarHBondContact O-N 3.06Å; L777-S780 PolarHBondContact O-N 3.24Å; L777-S780 PolarHBondContact O-OG 3.03Å; F778-S780 VanDerWaalsContact C-N 3.31Å; F778-S780 PolarHBondContact O-N 2.84Å; S780-Q782 VanDerWaalsContact C-N 3.34Å; S780-Q782 PolarHBondContact O-N 2.83Å; S780-L783 PolarHBondContact O-N 3.08Å; S780-R784 PolarHBondContact O-N 3.06Å; S780-R784 VanDerWaalsContact O-N 3.11Å
781	Q	64.9	Low	72	Confident	100.333 Å²	100.333	68.1 Å²	68.1	47%	0.469	35%	0.346	S	S	.	.	H	α-helix	trans	-68.3	-35.4	175.5	-72.9	-145.9	-17.7	0	0	113	L777 F778 Q779 R784	L777-Q781 WeakPolarHBondContact O-CG 3.48Å; L777-Q781 PolarHBondContact O-N 2.9Å; F778-Q781 PolarHBondContact O-N 2.92Å; Q779-Q781 VanDerWaalsContact C-N 3.25Å; Q779-Q781 PolarHBondContact O-N 2.9Å; Q781-R784 WeakPolarHBondContact O-CB 3.06Å; Q781-R784 VanDerWaalsContact O-CD 3.28Å; Q781-R784 WeakPolarHBondContact O-CD 3.33Å; Q781-R784 VanDerWaalsContact O-CG 3.32Å; Q781-R784 WeakPolarHBondContact O-CG 3.36Å; Q781-R784 PolarHBondContact O-N 3.32Å; Q781-R784 PolarHBondContact O-NE 2.85Å
782	Q	68.5	Low	72.6	Confident	128.333 Å²	128.333	68.1 Å²	68.1	60%	0.6	35%	0.345	S	S	*	.	H	α-helix	trans	-73.5	-41.3	174.7	-66.4	177.9	-22.5	0	0	111	F778 Q779 S780 R784 E785	F778-Q782 PolarHBondContact O-N 3.2Å; Q779-Q782 WeakPolarHBondContact O-CB 2.96Å; Q779-Q782 PolarHBondContact O-N 2.93Å; Q779-Q782 VanDerWaalsContact O-N 3.12Å; S780-Q782 VanDerWaalsContact C-N 3.34Å; S780-Q782 PolarHBondContact O-N 2.83Å; Q782-R784 VanDerWaalsContact C-N 3.27Å; Q782-R784 PolarHBondContact O-N 3.03Å; Q782-E785 PolarHBondContact O-N 2.75Å
783	L	77.5	Confident	74.1	Confident	13 Å²	13	66.4 Å²	66.4	7%	0.068	33%	0.333	C	S	.	.	H	α-helix	trans	-71.3	-17.2	-176	-64.4	174.9	0	0	0	113.7	L717 I748 T773 Q779 S780 E785 Y786 I811 Q817	L717-L783 HydrophobicContact CD2-CD2 3.75Å; I748-L783 HydrophobicContact CD1-CD2 4.19Å; I748-L783 HydrophobicContact CG2-CD2 4.32Å; T773-L783 HydrophobicContact CG2-CD1 3.81Å; Q779-L783 WeakPolarHBondContact O-CB 3.1Å; Q779-L783 VanDerWaalsContact O-CG 3.27Å; Q779-L783 WeakPolarHBondContact O-CG 3.08Å; Q779-L783 PolarHBondContact O-N 2.85Å; S780-L783 PolarHBondContact O-N 3.08Å; L783-E785 VanDerWaalsContact C-N 3.27Å; L783-E785 PolarHBondContact O-N 3.02Å; L783-E785 VanDerWaalsContact O-N 3.15Å; L783-Y786 VanDerWaalsContact CA-CD2 3.49Å; L783-Y786 HydrophobicContact CB-CD2 4.32Å; L783-Y786 HydrophobicContact CB-CE2 4.45Å; L783-Y786 HydrophobicContact CD2-CD2 3.97Å; L783-Y786 HydrophobicContact CD2-CE2 3.73Å; L783-Y786 HydrophobicContact CG-CE2 4.49Å; L783-Y786 VanDerWaalsContact O-CD2 3.31Å; L783-Y786 WeakPolarHBondContact O-CD2 3.41Å; L783-Y786 PolarHBondContact O-N 2.68Å; L783-I811 VanDerWaalsContact C-CD1 3.43Å; L783-I811 HydrophobicContact CB-CD1 3.28Å; L783-Q817 PolarHBondContact O-NE2 3.02Å
784	R	78.2	Confident	76.2	Confident	97 Å²	97	68.5 Å²	68.5	37%	0.366	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.9	-179.4	110.2	-168.7	-152.7	176.4	4.5	113.7	S780 Q781 Q782 Y786 I811 T813 S814	S780-R784 PolarHBondContact O-N 3.06Å; S780-R784 VanDerWaalsContact O-N 3.11Å; Q781-R784 WeakPolarHBondContact O-CB 3.06Å; Q781-R784 VanDerWaalsContact O-CD 3.28Å; Q781-R784 WeakPolarHBondContact O-CD 3.33Å; Q781-R784 VanDerWaalsContact O-CG 3.32Å; Q781-R784 WeakPolarHBondContact O-CG 3.36Å; Q781-R784 PolarHBondContact O-N 3.32Å; Q781-R784 PolarHBondContact O-NE 2.85Å; Q782-R784 VanDerWaalsContact C-N 3.27Å; Q782-R784 PolarHBondContact O-N 3.03Å; R784-Y786 VanDerWaalsContact C-N 3.34Å; R784-Y786 PolarHBondContact O-N 3.17Å; R784-I811 HydrophobicContact CB-CG2 4.15Å; R784-I811 HydrophobicContact CG-CG2 4.47Å; R784-T813 WeakPolarHBondContact CD-O 3.42Å; R784-T813 PolarHBondContact NE-OG1 3.27Å; R784-T813 PolarHBondContact NH2-OG1 3.13Å; R784-S814 WeakPolarHBondContact O-CB 3.37Å; R784-S814 PolarHBondContact O-OG 2.94Å
785	E	80.1	Confident	78.6	Confident	132.333 Å²	132.333	63.5 Å²	63.5	62%	0.618	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-12.2	-175.4	-62.6	-174.6	175.2	0	0	112.9	Q782 L783 L816	Q782-E785 PolarHBondContact O-N 2.75Å; L783-E785 VanDerWaalsContact C-N 3.27Å; L783-E785 PolarHBondContact O-N 3.02Å; L783-E785 VanDerWaalsContact O-N 3.15Å; E785-L816 WeakPolarHBondContact O-CD1 3.41Å
786	Y	86	Confident	81	Confident	23.3333 Å²	23.3333	59.5 Å²	59.5	9%	0.092	28%	0.283	C	S	.	.	S	Bend	trans	-82.6	126.7	178.1	-56.8	-65.4	0	0	0	111.7	L717 C718 N719 I748 N749 L783 R784 Q817	L717-Y786 PolarHBondContact O-OH 3.21Å; C718-Y786 VanDerWaalsContact O-CE1 3.3Å; C718-Y786 WeakPolarHBondContact O-CE1 3.16Å; N719-Y786 PolarHBondContact OD1-OH 3.11Å; I748-Y786 HydrophobicContact CB-CD2 4.38Å; I748-Y786 HydrophobicContact CB-CG 4.32Å; I748-Y786 HydrophobicContact CD1-CD2 4.29Å; I748-Y786 HydrophobicContact CD1-CE2 4.34Å; I748-Y786 HydrophobicContact CD1-CG 4.42Å; I748-Y786 HydrophobicContact CG2-CD2 4.25Å; N749-Y786 VanDerWaalsContact ND2-CD1 3.34Å; N749-Y786 WeakPolarHBondContact ND2-CD1 3.25Å; N749-Y786 VanDerWaalsContact OD1-CD1 3.24Å; N749-Y786 WeakPolarHBondContact OD1-CD1 3.42Å; L783-Y786 VanDerWaalsContact CA-CD2 3.49Å; L783-Y786 HydrophobicContact CB-CD2 4.32Å; L783-Y786 HydrophobicContact CB-CE2 4.45Å; L783-Y786 HydrophobicContact CD2-CD2 3.97Å; L783-Y786 HydrophobicContact CD2-CE2 3.73Å; L783-Y786 HydrophobicContact CG-CE2 4.49Å; L783-Y786 VanDerWaalsContact O-CD2 3.31Å; L783-Y786 WeakPolarHBondContact O-CD2 3.41Å; L783-Y786 PolarHBondContact O-N 2.68Å; R784-Y786 VanDerWaalsContact C-N 3.34Å; R784-Y786 PolarHBondContact O-N 3.17Å; Y786-Q817 WeakPolarHBondContact O-CG 3.33Å; Y786-Q817 PolarHBondContact O-NE2 3.21Å
787	P	89	Confident	83.2	Confident	36 Å²	36	54.3 Å²	54.3	23%	0.234	26%	0.259	C	S	.	.			trans	-71.5	142.9	-179.9	28.9	-36.3	0	0	0	112.8	I724 N749 I750 L816	I724-P787 HydrophobicContact CD1-CG 4.27Å; I724-P787 HydrophobicContact CG1-CG 4.49Å; N749-P787 WeakPolarHBondContact CA-O 3.16Å; N749-P787 PolarHBondContact N-O 3.15Å; N749-P787 WeakPolarHBondContact OD1-CD 3.37Å; I750-P787 PolarHBondContact N-O 3Å; P787-L816 WeakPolarHBondContact CA-O 3.29Å; P787-L816 HydrophobicContact CB-CB 4.46Å
788	I	93.1	Very high	85.2	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	122.4	171.9	-56.9	166.8	0	0	0	108.5	M747 I750 T771 L810 L816 Q817 R818	M747-I788 HydrophobicContact CE-CG2 3.74Å; M747-I788 HydrophobicContact CG-CD1 4.38Å; M747-I788 HydrophobicContact CG-CG2 4.34Å; M747-I788 WeakPolarHBondContact O-CD1 3.35Å; M747-I788 HydrophobicContact SD-CG2 4.25Å; I750-I788 HydrophobicContact CG2-CG1 4.38Å; I750-I788 HydrophobicContact CG2-CG2 4.2Å; I750-I788 WeakPolarHBondContact O-CA 3.34Å; T771-I788 HydrophobicContact CG2-CD1 3.38Å; I788-L810 HydrophobicContact CD1-CD2 3.81Å; I788-L810 HydrophobicContact CG2-CD2 4.31Å; I788-L816 PolarHBondContact N-O 2.96Å; I788-Q817 HydrophobicContact CB-CB 4.06Å; I788-Q817 HydrophobicContact CB-CG 3.95Å; I788-Q817 HydrophobicContact CD1-CB 4.11Å; I788-Q817 VanDerWaalsContact CD1-CD 3.45Å; I788-Q817 HydrophobicContact CD1-CG 3.61Å; I788-Q817 HydrophobicContact CG1-CB 4.4Å; I788-Q817 HydrophobicContact CG1-CG 3.82Å; I788-Q817 CarbonylContact O-C 3.53Å; I788-Q817 VanDerWaalsContact O-CA 3.31Å; I788-Q817 WeakPolarHBondContact O-CA 3.3Å; I788-R818 PolarHBondContact O-N 3.06Å
789	D	94.6	Very high	87.3	Confident	78 Å²	78	47.4 Å²	47.4	42%	0.417	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	102.4	173.1	-174	18.3	0	0	0	110	I750 I751 G752 R818	I750-D789 PolarHBondContact O-N 2.96Å; I751-D789 VanDerWaalsContact CA-O 3.28Å; I751-D789 WeakPolarHBondContact CA-O 3.25Å; I751-D789 HydrophobicContact CG2-CB 4.22Å; G752-D789 PolarHBondContact N-O 3.01Å; G752-D789 VanDerWaalsContact N-O 3.14Å; D789-R818 VanDerWaalsContact CG-NE 3.33Å; D789-R818 VanDerWaalsContact CG-NH2 3.27Å; D789-R818 IonicContact OD1-CZ 3.01Å; D789-R818 IonicContact OD1-NE 2.75Å; D789-R818 PolarHBondContact OD1-NE 2.87Å; D789-R818 IonicContact OD1-NH2 3.66Å; D789-R818 PolarHBondContact OD1-NH2 2.86Å; D789-R818 IonicContact OD2-CZ 2.7Å; D789-R818 IonicContact OD2-NE 2.71Å; D789-R818 IonicContact OD2-NH2 3.79Å; D789-R818 PolarHBondContact OD2-NH2 2.91Å
790	Y	97.3	Very high	89.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.9	-170	-147.4	-93	0	0	0	113.2	F727 M747 G752 I754 M769 I792 R818 I819 Q820	F727-Y790 HydrophobicContact CD1-CE2 4.37Å; F727-Y790 WeakPolarHBondContact CD1-OH 3.32Å; F727-Y790 VanDerWaalsContact O-CE2 3.29Å; F727-Y790 WeakPolarHBondContact O-CE2 3.35Å; F727-Y790 PolarHBondContact O-OH 3.3Å; M747-Y790 HydrophobicContact CE-CD1 4.21Å; M747-Y790 HydrophobicContact CE-CD2 3.77Å; M747-Y790 HydrophobicContact CE-CE2 4.43Å; M747-Y790 HydrophobicContact CE-CG 3.58Å; G752-Y790 VanDerWaalsContact C-CE2 3.43Å; G752-Y790 WeakPolarHBondContact O-CA 3.28Å; G752-Y790 WeakPolarHBondContact O-CD2 3.27Å; I754-Y790 HydrophobicContact CD1-CE1 3.99Å; I754-Y790 HydrophobicContact CG1-CE1 3.85Å; I754-Y790 WeakPolarHBondContact CG1-OH 3.29Å; M769-Y790 HydrophobicContact CE-CD1 4.13Å; M769-Y790 HydrophobicContact CE-CE1 3.66Å; M769-Y790 HydrophobicContact SD-CD1 4.21Å; M769-Y790 HydrophobicContact SD-CE1 4.33Å; Y790-I792 HydrophobicContact CD1-CG1 4.1Å; Y790-I792 HydrophobicContact CE1-CG1 4.21Å; Y790-R818 PolarHBondContact N-O 3.31Å; Y790-R818 VanDerWaalsContact N-O 3.11Å; Y790-I819 CarbonylContact O-C 3.53Å; Y790-I819 WeakPolarHBondContact O-CA 3.28Å; Y790-Q820 PolarHBondContact O-N 3.11Å
791	V	98	Very high	90.3	Very high	29.6667 Å²	29.6667	45.8 Å²	45.8	18%	0.18	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.8	-178.7	-175.9	0	0	0	0	111.1	G752 K753 I754 Q820 I822	G752-V791 PolarHBondContact O-N 3.21Å; G752-V791 VanDerWaalsContact O-N 3.11Å; K753-V791 CarbonylContact C-O 3.51Å; K753-V791 WeakPolarHBondContact CA-O 3.32Å; K753-V791 HydrophobicContact CB-CB 4.3Å; K753-V791 VanDerWaalsContact CB-O 3.23Å; K753-V791 WeakPolarHBondContact CB-O 3.26Å; K753-V791 HydrophobicContact CG-CB 4.24Å; I754-V791 PolarHBondContact N-O 3.15Å; V791-Q820 HydrophobicContact CG1-CB 4.48Å; V791-Q820 HydrophobicContact CG2-CB 4.41Å; V791-I822 HydrophobicContact CG1-CG2 4.23Å
792	I	98.3	Very high	91.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	111.3	172.6	-56.8	175.4	0	0	0	107.1	I754 I767 M769 Y790 N795 L808 Q820 L821 I822 N824	I754-I792 HydrophobicContact CB-CG1 4.43Å; I754-I792 HydrophobicContact CB-CG2 4.43Å; I754-I792 HydrophobicContact CD1-CG1 4.43Å; I754-I792 WeakPolarHBondContact O-CA 3.23Å; I767-I792 HydrophobicContact CD1-CG2 4.45Å; I767-I792 HydrophobicContact CG2-CD1 4.4Å; M769-I792 HydrophobicContact CE-CD1 4.15Å; M769-I792 HydrophobicContact SD-CD1 4.07Å; Y790-I792 HydrophobicContact CD1-CG1 4.1Å; Y790-I792 HydrophobicContact CE1-CG1 4.21Å; I792-N795 WeakPolarHBondContact CG2-ND2 3.39Å; I792-L808 HydrophobicContact CD1-CD2 3.93Å; I792-Q820 PolarHBondContact N-O 2.93Å; I792-L821 HydrophobicContact CB-CD1 3.71Å; I792-L821 HydrophobicContact CD1-CD1 4.42Å; I792-L821 HydrophobicContact CG2-CD1 3.57Å; I792-I822 PolarHBondContact O-N 3.22Å; I792-N824 PolarHBondContact O-ND2 2.91Å
793	S	97.8	Very high	92.2	Very high	8.66667 Å²	8.66667	37.2 Å²	37.2	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	150.7	-173.9	63.6	0	0	0	0	116.3	I754 I755 N756 N795 I822 N824	I754-S793 PolarHBondContact O-N 3.12Å; I755-S793 VanDerWaalsContact CA-O 3.25Å; I755-S793 WeakPolarHBondContact CA-O 3.39Å; N756-S793 PolarHBondContact N-O 3.14Å; S793-N795 PolarHBondContact N-ND2 3.2Å; S793-N795 PolarHBondContact O-N 3.26Å; S793-N795 VanDerWaalsContact O-N 3.12Å; S793-N795 PolarHBondContact O-ND2 2.94Å; S793-N795 VanDerWaalsContact O-ND2 3.09Å; S793-I822 WeakPolarHBondContact CA-O 3.24Å; S793-I822 WeakPolarHBondContact CB-O 3.36Å; S793-N824 VanDerWaalsContact C-OD1 3.27Å; S793-N824 VanDerWaalsContact CA-OD1 3.3Å; S793-N824 WeakPolarHBondContact CA-OD1 3.33Å; S793-N824 PolarHBondContact N-OD1 2.93Å
794	Y	97.7	Very high	92.9	Very high	93 Å²	93	37.1 Å²	37.1	37%	0.365	18%	0.182	S	C	.	.	S	Bend	trans	56.6	24.1	177.8	-52.3	-81.1	0	0	0	114.9	I755 N756 I822 Y823 N824 R936	I755-Y794 HydrophobicContact CD1-CD2 4.11Å; I755-Y794 HydrophobicContact CG1-CD2 4.23Å; N756-Y794 VanDerWaalsContact CA-O 3.31Å; N756-Y794 WeakPolarHBondContact CA-O 3.37Å; N756-Y794 PolarHBondContact N-O 3.36Å; N756-Y794 WeakPolarHBondContact OD1-CB 3.36Å; Y794-I822 PolarHBondContact N-O 3.35Å; Y794-Y823 VanDerWaalsContact CA-O 3.24Å; Y794-Y823 WeakPolarHBondContact CA-O 3.39Å; Y794-Y823 HydrophobicContact CD1-CG 4.48Å; Y794-Y823 AromaticContact CE1-CD2 3.92Å; Y794-Y823 HydrophobicContact CE1-CD2 3.98Å; Y794-Y823 AromaticContact CE1-CG 3.9Å; Y794-Y823 HydrophobicContact CE1-CG 3.9Å; Y794-Y823 AromaticContact CE2-CD2 3.89Å; Y794-Y823 HydrophobicContact CE2-CD2 4.08Å; Y794-Y823 HydrophobicContact CE2-CG 4.48Å; Y794-Y823 AromaticContact CZ-CD2 3.55Å; Y794-Y823 VanDerWaalsContact CZ-CD2 3.46Å; Y794-Y823 AromaticContact CZ-CG 3.91Å; Y794-Y823 PolarHBondContact N-O 3.07Å; Y794-Y823 VanDerWaalsContact N-O 3.14Å; Y794-Y823 VanDerWaalsContact OH-CD2 3.27Å; Y794-Y823 WeakPolarHBondContact OH-CD2 3.38Å; Y794-N824 PolarHBondContact N-OD1 3.05Å; Y794-R936 VanDerWaalsContact CE1-NH2 3.3Å; Y794-R936 PolarHBondContact OH-NH2 2.99Å
795	N	98.5	Very high	93.8	Very high	2.33333 Å²	2.33333	32.5 Å²	32.5	1%	0.012	16%	0.164	C	C	.	.			trans	-91.1	155.6	175.7	-54.4	-71.6	0	0	0	111.3	I754 I755 N756 S757 F759 I792 S793 F797 N824 K825	I754-N795 PolarHBondContact O-ND2 3.04Å; I755-N795 WeakPolarHBondContact CA-OD1 3.23Å; N756-N795 PolarHBondContact N-OD1 3.28Å; S757-N795 WeakPolarHBondContact CB-OD1 3.45Å; S757-N795 PolarHBondContact N-OD1 2.89Å; S757-N795 CarbonylContact O-C 3.4Å; S757-N795 VanDerWaalsContact O-CA 3.26Å; S757-N795 WeakPolarHBondContact O-CA 3.27Å; S757-N795 WeakPolarHBondContact O-CB 3.37Å; F759-N795 HydrophobicContact CE2-CB 4.24Å; I792-N795 WeakPolarHBondContact CG2-ND2 3.39Å; S793-N795 PolarHBondContact N-ND2 3.2Å; S793-N795 PolarHBondContact O-N 3.26Å; S793-N795 VanDerWaalsContact O-N 3.12Å; S793-N795 PolarHBondContact O-ND2 2.94Å; S793-N795 VanDerWaalsContact O-ND2 3.09Å; N795-F797 HydrophobicContact CB-CD2 4.48Å; N795-F797 HydrophobicContact CB-CE2 3.69Å; N795-F797 HydrophobicContact CB-CZ 3.99Å; N795-N824 WeakPolarHBondContact CB-OD1 3.39Å; N795-N824 PolarHBondContact N-OD1 2.89Å; N795-N824 PolarHBondContact ND2-OD1 2.94Å; N795-N824 CarbonylContact O-C 3.52Å; N795-N824 WeakPolarHBondContact O-CA 3.42Å; N795-K825 PolarHBondContact O-N 2.89Å
796	E	98.2	Very high	94.6	Very high	58 Å²	58	26.2 Å²	26.2	27%	0.271	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.8	176.1	-173	171.5	144.9	0	0	110.9	S757 T758 F759 N798 K825 L827	S757-E796 PolarHBondContact O-N 3.2Å; T758-E796 CarbonylContact C-O 3.13Å; T758-E796 WeakPolarHBondContact CA-O 3.3Å; T758-E796 HydrophobicContact CG2-CB 4.45Å; F759-E796 PolarHBondContact N-O 2.62Å; E796-N798 HydrophobicContact CG-CB 4.44Å; E796-N798 PolarHBondContact OE1-ND2 2.77Å; E796-N798 VanDerWaalsContact OE1-ND2 3.1Å; E796-K825 HydrophobicContact CG-CB 4.37Å; E796-K825 HydrophobicContact CG-CD 4.49Å; E796-K825 IonicContact OE2-NZ 3.77Å; E796-K825 PolarHBondContact OE2-NZ 2.86Å; E796-L827 HydrophobicContact CG-CD1 4.48Å
797	F	98.3	Very high	95	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	108.3	177.3	-57.7	-91.3	0	0	0	108.3	F759 V766 I767 N795 I805 I806 N824 K825 F826 L827 N829	F759-F797 HydrophobicContact CB-CD1 3.88Å; F759-F797 HydrophobicContact CB-CE1 4.29Å; F759-F797 AromaticContact CD2-CD1 3.7Å; F759-F797 HydrophobicContact CD2-CD1 3.7Å; F759-F797 AromaticContact CD2-CE1 3.35Å; F759-F797 HydrophobicContact CD2-CE1 3.35Å; F759-F797 HydrophobicContact CD2-CG 4.44Å; F759-F797 AromaticContact CD2-CZ 3.84Å; F759-F797 HydrophobicContact CD2-CZ 3.84Å; F759-F797 HydrophobicContact CE2-CD1 4.49Å; F759-F797 AromaticContact CE2-CE1 3.75Å; F759-F797 HydrophobicContact CE2-CE1 3.75Å; F759-F797 AromaticContact CE2-CZ 3.9Å; F759-F797 HydrophobicContact CE2-CZ 3.9Å; F759-F797 AromaticContact CG-CD1 3.99Å; F759-F797 HydrophobicContact CG-CD1 4Å; F759-F797 AromaticContact CG-CE1 3.88Å; F759-F797 HydrophobicContact CG-CE1 3.88Å; V766-F797 HydrophobicContact CB-CD1 4.24Å; V766-F797 HydrophobicContact CB-CE1 4.32Å; V766-F797 HydrophobicContact CG1-CD1 3.89Å; V766-F797 HydrophobicContact CG1-CE1 3.77Å; V766-F797 HydrophobicContact CG2-CD1 4.4Å; I767-F797 HydrophobicContact CD1-CE1 3.84Å; I767-F797 HydrophobicContact CD1-CZ 3.75Å; I767-F797 HydrophobicContact CG1-CE1 4.22Å; N795-F797 HydrophobicContact CB-CD2 4.48Å; N795-F797 HydrophobicContact CB-CE2 3.69Å; N795-F797 HydrophobicContact CB-CZ 3.99Å; F797-I805 HydrophobicContact CB-CG2 3.96Å; F797-I805 HydrophobicContact CD1-CG2 3.69Å; F797-I805 HydrophobicContact CE1-CG2 4.48Å; F797-I805 HydrophobicContact CG-CG2 4.03Å; F797-I806 HydrophobicContact CE1-CD1 3.97Å; F797-I806 HydrophobicContact CE1-CG1 4.12Å; F797-I806 HydrophobicContact CE2-CD1 3.86Å; F797-I806 HydrophobicContact CZ-CD1 3.53Å; F797-I806 VanDerWaalsContact CZ-CD1 3.48Å; F797-I806 HydrophobicContact CZ-CG1 4.2Å; F797-N824 HydrophobicContact CE2-CB 4.26Å; F797-K825 PolarHBondContact N-O 3.03Å; F797-F826 HydrophobicContact CB-CD1 3.79Å; F797-F826 HydrophobicContact CB-CE1 4.2Å; F797-F826 HydrophobicContact CB-CG 4.47Å; F797-F826 HydrophobicContact CD1-CE1 4.36Å; F797-F826 AromaticContact CD2-CD1 3.71Å; F797-F826 HydrophobicContact CD2-CD1 3.71Å; F797-F826 AromaticContact CD2-CE1 3.38Å; F797-F826 HydrophobicContact CD2-CE1 3.38Å; F797-F826 VanDerWaalsContact CD2-CE1 3.43Å; F797-F826 HydrophobicContact CD2-CE2 4.32Å; F797-F826 HydrophobicContact CD2-CG 4.3Å; F797-F826 AromaticContact CD2-CZ 3.73Å; F797-F826 HydrophobicContact CD2-CZ 3.73Å; F797-F826 AromaticContact CE2-CE1 3.8Å; F797-F826 HydrophobicContact CE2-CE1 3.8Å; F797-F826 HydrophobicContact CE2-CE2 4.49Å; F797-F826 AromaticContact CE2-CZ 3.81Å; F797-F826 HydrophobicContact CE2-CZ 3.81Å; F797-F826 AromaticContact CG-CD1 3.86Å; F797-F826 HydrophobicContact CG-CD1 3.86Å; F797-F826 AromaticContact CG-CE1 3.75Å; F797-F826 HydrophobicContact CG-CE1 3.75Å; F797-F826 HydrophobicContact CG-CZ 4.5Å; F797-F826 HydrophobicContact CZ-CE1 4.44Å; F797-F826 WeakPolarHBondContact O-CA 3.23Å; F797-L827 PolarHBondContact O-N 3Å; F797-N829 PolarHBondContact O-ND2 3.09Å; F797-N829 PolarHBondContact O-OD1 3.03Å
798	N	97.4	Very high	95.3	Very high	30.6667 Å²	30.6667	25 Å²	25	16%	0.164	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.7	-169.9	-167.3	-9.6	0	0	0	112.9	F759 I760 Q761 E796 N800 L827	F759-N798 PolarHBondContact O-N 3.08Å; I760-N798 WeakPolarHBondContact CA-O 3.34Å; I760-N798 HydrophobicContact CG1-CB 4.24Å; Q761-N798 PolarHBondContact N-O 3.12Å; E796-N798 HydrophobicContact CG-CB 4.44Å; E796-N798 PolarHBondContact OE1-ND2 2.77Å; E796-N798 VanDerWaalsContact OE1-ND2 3.1Å; N798-N800 VanDerWaalsContact C-N 3.25Å; N798-N800 PolarHBondContact N-ND2 2.99Å; N798-N800 VanDerWaalsContact N-ND2 3.13Å; N798-N800 PolarHBondContact O-N 2.91Å; N798-N800 VanDerWaalsContact O-N 3.14Å; N798-N800 PolarHBondContact O-ND2 3.16Å; N798-L827 VanDerWaalsContact CA-O 3.3Å; N798-L827 WeakPolarHBondContact CA-O 3.38Å; N798-L827 PolarHBondContact OD1-O 2.95Å
799	N	96.6	Very high	95.2	Very high	47.6667 Å²	47.6667	25.4 Å²	25.4	26%	0.255	13%	0.129	S	C	.	.	S	Bend	trans	52.3	35	177.3	-65.5	-57.5	0	0	0	114.3	Q761 Y801 L827 N828	Q761-N799 VanDerWaalsContact CA-O 3.31Å; Q761-N799 WeakPolarHBondContact CA-O 3.23Å; Q761-N799 HydrophobicContact CG-CB 4.27Å; Q761-N799 PolarHBondContact N-O 3.35Å; N799-Y801 WeakPolarHBondContact O-CD2 3.35Å; N799-Y801 VanDerWaalsContact O-CE2 3.26Å; N799-Y801 WeakPolarHBondContact O-CE2 3.36Å; N799-L827 PolarHBondContact N-O 3.13Å; N799-N828 WeakPolarHBondContact CA-O 3.25Å; N799-N828 VanDerWaalsContact OD1-CB 3.31Å; N799-N828 WeakPolarHBondContact OD1-CB 3.36Å
800	N	95.7	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.			trans	-88.2	155.5	174.5	-56.5	-73.7	0	0	0	111.1	F759 I760 Q761 H762 V766 N798 I805 N829 R830	F759-N800 PolarHBondContact O-ND2 3.02Å; F759-N800 PolarHBondContact O-OD1 2.87Å; I760-N800 VanDerWaalsContact C-OD1 3.23Å; I760-N800 WeakPolarHBondContact CA-OD1 3.44Å; Q761-N800 PolarHBondContact N-OD1 3.28Å; Q761-N800 VanDerWaalsContact N-OD1 3.13Å; H762-N800 HydrophobicContact CB-CB 4.38Å; H762-N800 PolarHBondContact CD2-OD1 2.88Å; H762-N800 PolarHBondContact N-OD1 3.14Å; H762-N800 PolarHBondContact ND1-OD1 2.84Å; V766-N800 HydrophobicContact CG2-CB 3.99Å; N798-N800 VanDerWaalsContact C-N 3.25Å; N798-N800 PolarHBondContact N-ND2 2.99Å; N798-N800 VanDerWaalsContact N-ND2 3.13Å; N798-N800 PolarHBondContact O-N 2.91Å; N798-N800 VanDerWaalsContact O-N 3.14Å; N798-N800 PolarHBondContact O-ND2 3.16Å; N800-I805 HydrophobicContact CB-CD1 3.56Å; N800-I805 HydrophobicContact CB-CG1 4.48Å; N800-N829 VanDerWaalsContact CB-OD1 3.3Å; N800-N829 WeakPolarHBondContact CB-OD1 3.38Å; N800-N829 PolarHBondContact N-OD1 3.34Å; N800-N829 PolarHBondContact ND2-OD1 3.02Å; N800-N829 CarbonylContact O-C 3.53Å; N800-N829 VanDerWaalsContact O-CA 3.3Å; N800-N829 WeakPolarHBondContact O-CA 3.3Å; N800-N829 WeakPolarHBondContact O-CB 3.3Å; N800-R830 PolarHBondContact O-N 2.96Å
801	Y	91.4	Very high	94.6	Very high	81.25 Å²	81.25	22.6 Å²	22.6	32%	0.319	11%	0.113	S	C	.	.	B	Isolated β-bridge	trans	-127.7	166.6	-177.9	-59.1	-102.1	0	0	0	110.1	H762 L763 H764 N799 R830	H762-Y801 PolarHBondContact O-N 2.95Å; L763-Y801 CarbonylContact C-O 3.56Å; L763-Y801 VanDerWaalsContact C-O 3.3Å; L763-Y801 HydrophobicContact CD2-CD2 4.45Å; L763-Y801 CarbonylContact O-C 3.51Å; H764-Y801 CarbonylContact C-O 3.44Å; H764-Y801 PolarHBondContact N-O 3.28Å; N799-Y801 WeakPolarHBondContact O-CD2 3.35Å; N799-Y801 VanDerWaalsContact O-CE2 3.26Å; N799-Y801 WeakPolarHBondContact O-CE2 3.36Å; Y801-R830 HydrophobicContact CD1-CB 3.8Å; Y801-R830 HydrophobicContact CE1-CB 3.8Å; Y801-R830 HydrophobicContact CE1-CG 4.11Å; Y801-R830 PolarHBondContact OH-NH1 3.01Å; Y801-R830 VanDerWaalsContact OH-NH1 3.1Å
802	G	86.8	Confident	93.9	Very high	21.75 Å²	21.75	22.9 Å²	22.9	22%	0.224	11%	0.113	C	C	.	.	S	Bend	trans	128.1	-162.9	173.2	0	0	0	0	0	112.3	L763 H764 Y804 V831	L763-G802 VanDerWaalsContact O-CA 3.25Å; L763-G802 WeakPolarHBondContact O-CA 3.33Å; L763-G802 PolarHBondContact O-N 2.82Å; H764-G802 CarbonylContact O-C 3.53Å; H764-G802 VanDerWaalsContact O-CA 3.22Å; H764-G802 WeakPolarHBondContact O-CA 3.42Å; G802-Y804 VanDerWaalsContact C-N 3.31Å; G802-V831 WeakPolarHBondContact O-CG1 3.43Å
803	S	85.7	Confident	92.9	Very high	25.5 Å²	25.5	27.1 Å²	27.1	18%	0.178	14%	0.139	C	C	.	.	S	Bend	trans	-82	-25.9	-179.5	-62.7	0	0	0	0	112.4	H764 V831 P846 A847 T1171	H764-S803 PolarHBondContact O-N 3.12Å; H764-S803 VanDerWaalsContact O-N 3.17Å; S803-V831 WeakPolarHBondContact O-CG1 3.29Å; S803-P846 CarbonylContact O-C 3.56Å; S803-P846 WeakPolarHBondContact O-CA 3.26Å; S803-P846 WeakPolarHBondContact O-CB 3.29Å; S803-A847 PolarHBondContact O-N 3.04Å; S803-A847 VanDerWaalsContact O-N 3.1Å; S803-T1171 VanDerWaalsContact OG-CG2 3.3Å; S803-T1171 WeakPolarHBondContact OG-CG2 3.32Å; S803-T1171 PolarHBondContact OG-OG1 2.92Å
804	Y	93	Very high	92.2	Very high	12.25 Å²	12.25	26.9 Å²	26.9	5%	0.048	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	153.9	173.7	55.6	-89.8	0	0	0	110.7	N740 H764 G765 Y768 G802 A847	N740-Y804 PolarHBondContact ND2-OH 3.12Å; N740-Y804 WeakPolarHBondContact OD1-CE2 3.27Å; N740-Y804 PolarHBondContact OD1-OH 2.96Å; H764-Y804 PolarHBondContact NE2-OH 2.94Å; G765-Y804 WeakPolarHBondContact CA-O 3.38Å; Y768-Y804 HydrophobicContact CD2-CE1 4.35Å; Y768-Y804 AromaticContact CD2-CE2 3.97Å; Y768-Y804 HydrophobicContact CD2-CE2 3.98Å; Y768-Y804 AromaticContact CD2-CZ 3.67Å; Y768-Y804 WeakPolarHBondContact CD2-OH 3.08Å; G802-Y804 VanDerWaalsContact C-N 3.31Å; Y804-A847 VanDerWaalsContact CA-O 3.25Å; Y804-A847 WeakPolarHBondContact CA-O 3.38Å
805	I	96	Very high	91.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-47.2	166	-54.5	-45.4	0	0	0	108.9	V766 I767 F797 N800 F826 N829 V831 V848	V766-I805 CarbonylContact C-O 3.4Å; V766-I805 WeakPolarHBondContact CA-O 3.24Å; V766-I805 HydrophobicContact CB-CG2 4.08Å; V766-I805 VanDerWaalsContact CB-O 3.23Å; V766-I805 WeakPolarHBondContact CB-O 3.4Å; V766-I805 HydrophobicContact CG2-CG2 3.7Å; V766-I805 PolarHBondContact N-O 2.93Å; V766-I805 VanDerWaalsContact N-O 3.13Å; I767-I805 PolarHBondContact N-O 3.18Å; F797-I805 HydrophobicContact CB-CG2 3.96Å; F797-I805 HydrophobicContact CD1-CG2 3.69Å; F797-I805 HydrophobicContact CE1-CG2 4.48Å; F797-I805 HydrophobicContact CG-CG2 4.03Å; N800-I805 HydrophobicContact CB-CD1 3.56Å; N800-I805 HydrophobicContact CB-CG1 4.48Å; I805-F826 HydrophobicContact CG2-CD1 4.31Å; I805-F826 HydrophobicContact CG2-CE1 4.27Å; I805-N829 HydrophobicContact CD1-CB 4.14Å; I805-N829 HydrophobicContact CG1-CB 3.85Å; I805-V831 HydrophobicContact CD1-CG2 3.96Å; I805-V831 HydrophobicContact CG1-CG2 4.08Å; I805-V848 WeakPolarHBondContact CA-O 3.28Å; I805-V848 HydrophobicContact CB-CG1 4.07Å; I805-V848 VanDerWaalsContact CB-O 3.23Å; I805-V848 WeakPolarHBondContact CB-O 3.32Å; I805-V848 HydrophobicContact CG1-CB 4.43Å; I805-V848 HydrophobicContact CG1-CG1 3.85Å; I805-V848 PolarHBondContact N-O 2.87Å
806	I	96.2	Very high	90.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.4	172.4	-55.1	-173.2	0	0	0	110	I767 F797 L808 L821 F826 V848 I849 V850	I767-I806 HydrophobicContact CB-CB 4.47Å; I767-I806 HydrophobicContact CB-CG1 4.17Å; I767-I806 HydrophobicContact CB-CG2 4.12Å; I767-I806 HydrophobicContact CD1-CD1 4.29Å; I767-I806 HydrophobicContact CD1-CG1 4.5Å; I767-I806 HydrophobicContact CG2-CG2 4.27Å; I767-I806 CarbonylContact O-C 3.51Å; I767-I806 VanDerWaalsContact O-CA 3.3Å; I767-I806 WeakPolarHBondContact O-CA 3.34Å; F797-I806 HydrophobicContact CE1-CD1 3.97Å; F797-I806 HydrophobicContact CE1-CG1 4.12Å; F797-I806 HydrophobicContact CE2-CD1 3.86Å; F797-I806 HydrophobicContact CZ-CD1 3.53Å; F797-I806 VanDerWaalsContact CZ-CD1 3.48Å; F797-I806 HydrophobicContact CZ-CG1 4.2Å; I806-L808 HydrophobicContact CG2-CD1 4.02Å; I806-L808 HydrophobicContact CG2-CD2 3.55Å; I806-L808 HydrophobicContact CG2-CG 3.54Å; I806-L821 HydrophobicContact CD1-CD1 3.97Å; I806-L821 HydrophobicContact CD1-CD2 4.45Å; I806-F826 HydrophobicContact CD1-CE1 3.56Å; I806-F826 HydrophobicContact CD1-CZ 3.49Å; I806-F826 VanDerWaalsContact CD1-CZ 3.47Å; I806-F826 HydrophobicContact CG1-CE1 3.88Å; I806-F826 HydrophobicContact CG1-CZ 4.29Å; I806-V848 PolarHBondContact N-O 3.08Å; I806-I849 CarbonylContact O-C 3.54Å; I806-I849 WeakPolarHBondContact O-CA 3.36Å; I806-V850 PolarHBondContact O-N 3.07Å
807	Y	95.2	Very high	90.6	Very high	33.25 Å²	33.25	33.8 Å²	33.8	13%	0.13	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.7	168.5	-175.5	-80.8	0	0	0	109.5	I767 Y768 M769 D770 V850 H875	I767-Y807 PolarHBondContact O-N 3.04Å; Y768-Y807 AromaticContact CD2-CD1 3.72Å; Y768-Y807 HydrophobicContact CD2-CD1 3.72Å; Y768-Y807 HydrophobicContact CD2-CD2 4.44Å; Y768-Y807 HydrophobicContact CD2-CE1 4.43Å; Y768-Y807 AromaticContact CD2-CG 3.73Å; Y768-Y807 HydrophobicContact CD2-CG 3.73Å; Y768-Y807 HydrophobicContact CE1-CD1 4.37Å; Y768-Y807 AromaticContact CE2-CD1 3.4Å; Y768-Y807 HydrophobicContact CE2-CD1 3.4Å; Y768-Y807 VanDerWaalsContact CE2-CD1 3.41Å; Y768-Y807 HydrophobicContact CE2-CD2 4.15Å; Y768-Y807 AromaticContact CE2-CE1 3.8Å; Y768-Y807 HydrophobicContact CE2-CE1 3.8Å; Y768-Y807 HydrophobicContact CE2-CE2 4.44Å; Y768-Y807 AromaticContact CE2-CG 3.62Å; Y768-Y807 HydrophobicContact CE2-CG 3.62Å; Y768-Y807 HydrophobicContact CG-CD1 4.4Å; Y768-Y807 AromaticContact CZ-CD1 3.84Å; Y768-Y807 AromaticContact CZ-CE1 3.83Å; M769-Y807 PolarHBondContact N-O 3.02Å; D770-Y807 HydrophobicContact CB-CD1 4.47Å; D770-Y807 HydrophobicContact CB-CE1 4.14Å; Y807-V850 HydrophobicContact CD2-CB 3.73Å; Y807-V850 HydrophobicContact CD2-CG1 3.27Å; Y807-V850 HydrophobicContact CD2-CG2 4.47Å; Y807-V850 HydrophobicContact CE2-CB 4.36Å; Y807-V850 HydrophobicContact CE2-CG1 3.41Å; Y807-V850 VanDerWaalsContact CE2-CG1 3.44Å; Y807-V850 HydrophobicContact CG-CB 4.41Å; Y807-V850 HydrophobicContact CG-CG1 4.23Å; Y807-H875 AromaticContact CE2-ND1 3.73Å
808	L	95.4	Very high	90.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.3	179.7	-55.3	176.5	0	0	0	110.3	M769 I792 I806 I819 L821 V850 I851 G852 V856	M769-L808 HydrophobicContact CB-CD2 3.98Å; M769-L808 HydrophobicContact CG-CD2 4.3Å; M769-L808 CarbonylContact O-C 3.53Å; M769-L808 WeakPolarHBondContact O-CA 3.43Å; M769-L808 HydrophobicContact SD-CD2 4.07Å; I792-L808 HydrophobicContact CD1-CD2 3.93Å; I806-L808 HydrophobicContact CG2-CD1 4.02Å; I806-L808 HydrophobicContact CG2-CD2 3.55Å; I806-L808 HydrophobicContact CG2-CG 3.54Å; L808-I819 HydrophobicContact CB-CD1 4.44Å; L808-I819 HydrophobicContact CD1-CG2 3.92Å; L808-I819 HydrophobicContact CD2-CD1 4.35Å; L808-I819 HydrophobicContact CD2-CG2 4.45Å; L808-L821 HydrophobicContact CD1-CB 4.42Å; L808-L821 HydrophobicContact CD1-CD2 4.42Å; L808-V850 PolarHBondContact N-O 3.21Å; L808-I851 WeakPolarHBondContact O-CA 3.24Å; L808-G852 PolarHBondContact O-N 3.09Å; L808-V856 HydrophobicContact CB-CG1 3.96Å; L808-V856 HydrophobicContact CB-CG2 3.92Å; L808-V856 HydrophobicContact CD1-CG1 3.57Å; L808-V856 HydrophobicContact CG-CG1 4.4Å
809	S	91.8	Very high	90.4	Very high	10.75 Å²	10.75	37.6 Å²	37.6	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	129.9	-180	170.6	0	0	0	0	110.8	M769 D770 T771	M769-S809 PolarHBondContact O-N 3.22Å; D770-S809 WeakPolarHBondContact CA-O 3.2Å; D770-S809 WeakPolarHBondContact OD1-CB 3.32Å; D770-S809 PolarHBondContact OD1-OG 2.9Å; T771-S809 PolarHBondContact N-O 3.09Å; T771-S809 VanDerWaalsContact N-O 3.11Å; T771-S809 PolarHBondContact OG1-O 3.06Å
810	L	91.4	Very high	90.4	Very high	6.25 Å²	6.25	37.4 Å²	37.4	3%	0.033	18%	0.182	C	C	.	.			trans	-129	169.9	-178.8	-65.7	-179.8	0	0	0	110.1	M747 T771 I788 E812 Q817 I819 S853 N855 V856	M747-L810 HydrophobicContact SD-CD2 4.39Å; T771-L810 HydrophobicContact CG2-CB 4.45Å; T771-L810 HydrophobicContact CG2-CD2 3.6Å; T771-L810 WeakPolarHBondContact OG1-CA 3.45Å; I788-L810 HydrophobicContact CD1-CD2 3.81Å; I788-L810 HydrophobicContact CG2-CD2 4.31Å; L810-E812 PolarHBondContact O-N 3.01Å; L810-Q817 HydrophobicContact CD1-CB 4.25Å; L810-I819 HydrophobicContact CD1-CB 4.3Å; L810-I819 HydrophobicContact CD1-CD1 4.02Å; L810-I819 HydrophobicContact CD1-CG1 3.89Å; L810-I819 HydrophobicContact CD2-CD1 3.69Å; L810-I819 HydrophobicContact CD2-CG1 4.2Å; L810-I819 HydrophobicContact CG-CD1 3.87Å; L810-I819 HydrophobicContact CG-CG1 4.31Å; L810-S853 VanDerWaalsContact O-CB 3.27Å; L810-S853 WeakPolarHBondContact O-CB 3.3Å; L810-N855 HydrophobicContact CB-CB 4.23Å; L810-N855 HydrophobicContact CD1-CB 3.75Å; L810-V856 HydrophobicContact CD1-CG2 4.23Å; L810-V856 HydrophobicContact CG-CG2 4.3Å
811	I	86.5	Confident	90.5	Very high	12.75 Å²	12.75	37.4 Å²	37.4	7%	0.065	18%	0.182	C	C	.	.			trans	-77.7	112.5	174.6	-59.9	173.2	0	0	0	109.1	T771 L783 R784 T813 S814 Q817 N855	T771-I811 HydrophobicContact CG2-CG1 4.43Å; T771-I811 PolarHBondContact OG1-N 3.09Å; T771-I811 VanDerWaalsContact OG1-N 3.15Å; L783-I811 VanDerWaalsContact C-CD1 3.43Å; L783-I811 HydrophobicContact CB-CD1 3.28Å; R784-I811 HydrophobicContact CB-CG2 4.15Å; R784-I811 HydrophobicContact CG-CG2 4.47Å; I811-T813 VanDerWaalsContact C-N 3.28Å; I811-T813 PolarHBondContact O-N 3.1Å; I811-T813 VanDerWaalsContact O-N 3.13Å; I811-S814 WeakPolarHBondContact O-CB 3.28Å; I811-S814 PolarHBondContact O-N 3.02Å; I811-S814 VanDerWaalsContact O-N 3.08Å; I811-Q817 VanDerWaalsContact N-OE1 3.1Å; I811-N855 PolarHBondContact O-ND2 2.99Å; I811-N855 VanDerWaalsContact O-ND2 3.09Å
812	E	83.4	Confident	90.8	Very high	37.25 Å²	37.25	34.5 Å²	34.5	17%	0.174	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.6	-175.1	-176.4	58.4	-158.3	0	0	114.1	L810 S814 S853 S854 L876 K881	L810-E812 PolarHBondContact O-N 3.01Å; E812-S814 VanDerWaalsContact C-N 3.31Å; E812-S814 PolarHBondContact O-N 3.29Å; E812-S853 VanDerWaalsContact OE2-CA 3.28Å; E812-S853 WeakPolarHBondContact OE2-CA 3.36Å; E812-S853 WeakPolarHBondContact OE2-CB 3.39Å; E812-S853 PolarHBondContact OE2-OG 3.17Å; E812-S854 VanDerWaalsContact CD-OG 3.26Å; E812-S854 VanDerWaalsContact OE1-CB 3.31Å; E812-S854 WeakPolarHBondContact OE1-CB 3.26Å; E812-S854 PolarHBondContact OE1-OG 3.05Å; E812-S854 PolarHBondContact OE2-N 2.87Å; E812-S854 PolarHBondContact OE2-OG 2.89Å; E812-L876 HydrophobicContact CB-CD1 4.33Å; E812-L876 HydrophobicContact CG-CD1 4.13Å; E812-L876 WeakPolarHBondContact OE2-CD2 3.31Å; E812-K881 HydrophobicContact CG-CG 4.44Å; E812-K881 WeakPolarHBondContact OE1-CD 3.29Å; E812-K881 WeakPolarHBondContact OE1-CG 3.45Å
813	T	77.5	Confident	91.3	Very high	88 Å²	88	35.7 Å²	35.7	54%	0.54	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.4	-177.2	55.9	0	0	0	0	114	R784 I811	R784-T813 WeakPolarHBondContact CD-O 3.42Å; R784-T813 PolarHBondContact NE-OG1 3.27Å; R784-T813 PolarHBondContact NH2-OG1 3.13Å; I811-T813 VanDerWaalsContact C-N 3.28Å; I811-T813 PolarHBondContact O-N 3.1Å; I811-T813 VanDerWaalsContact O-N 3.13Å
814	S	82.9	Confident	91.9	Very high	4.75 Å²	4.75	34.5 Å²	34.5	3%	0.033	16%	0.162	C	C	.	.			trans	-80.6	137.7	-179.5	-172.5	0	0	0	0	111.5	R784 I811 E812 L816 Q817 N855	R784-S814 WeakPolarHBondContact O-CB 3.37Å; R784-S814 PolarHBondContact O-OG 2.94Å; I811-S814 WeakPolarHBondContact O-CB 3.28Å; I811-S814 PolarHBondContact O-N 3.02Å; I811-S814 VanDerWaalsContact O-N 3.08Å; E812-S814 VanDerWaalsContact C-N 3.31Å; E812-S814 PolarHBondContact O-N 3.29Å; S814-L816 PolarHBondContact OG-N 3.03Å; S814-L816 VanDerWaalsContact OG-N 3.13Å; S814-Q817 WeakPolarHBondContact OG-CG 3.32Å; S814-N855 PolarHBondContact O-ND2 3.15Å
815	K	82.3	Confident	92.1	Very high	192.5 Å²	192.5	38.4 Å²	38.4	84%	0.837	18%	0.179	S	C	*	.	S	Bend	trans	-95.4	-5.8	169.7	-63	-177.8	-179.1	177.7	0	112.9
816	L	86.8	Confident	92.2	Very high	101.25 Å²	101.25	38.4 Å²	38.4	53%	0.53	18%	0.179	S	C	.	.	S	Bend	trans	-102	0.3	-176	-59.2	178.4	0	0	0	112.5	E785 P787 I788 S814	E785-L816 WeakPolarHBondContact O-CD1 3.41Å; P787-L816 WeakPolarHBondContact CA-O 3.29Å; P787-L816 HydrophobicContact CB-CB 4.46Å; I788-L816 PolarHBondContact N-O 2.96Å; S814-L816 PolarHBondContact OG-N 3.03Å; S814-L816 VanDerWaalsContact OG-N 3.13Å
817	Q	91.8	Very high	92.2	Very high	4.25 Å²	4.25	39.8 Å²	39.8	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.9	-173.6	-62.4	-178.4	3.7	0	0	110.5	L783 Y786 I788 L810 I811 S814 N855	L783-Q817 PolarHBondContact O-NE2 3.02Å; Y786-Q817 WeakPolarHBondContact O-CG 3.33Å; Y786-Q817 PolarHBondContact O-NE2 3.21Å; I788-Q817 HydrophobicContact CB-CB 4.06Å; I788-Q817 HydrophobicContact CB-CG 3.95Å; I788-Q817 HydrophobicContact CD1-CB 4.11Å; I788-Q817 VanDerWaalsContact CD1-CD 3.45Å; I788-Q817 HydrophobicContact CD1-CG 3.61Å; I788-Q817 HydrophobicContact CG1-CB 4.4Å; I788-Q817 HydrophobicContact CG1-CG 3.82Å; I788-Q817 CarbonylContact O-C 3.53Å; I788-Q817 VanDerWaalsContact O-CA 3.31Å; I788-Q817 WeakPolarHBondContact O-CA 3.3Å; L810-Q817 HydrophobicContact CD1-CB 4.25Å; I811-Q817 VanDerWaalsContact N-OE1 3.1Å; S814-Q817 WeakPolarHBondContact OG-CG 3.32Å; Q817-N855 WeakPolarHBondContact O-CB 3.31Å
818	R	94.7	Very high	92.2	Very high	110 Å²	110	40.9 Å²	40.9	42%	0.415	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	139	179.6	168.8	-178	-173.9	-173.9	0.1	111.9	I788 D789 Y790 Q820 N855 H857	I788-R818 PolarHBondContact O-N 3.06Å; D789-R818 VanDerWaalsContact CG-NE 3.33Å; D789-R818 VanDerWaalsContact CG-NH2 3.27Å; D789-R818 IonicContact OD1-CZ 3.01Å; D789-R818 IonicContact OD1-NE 2.75Å; D789-R818 PolarHBondContact OD1-NE 2.87Å; D789-R818 IonicContact OD1-NH2 3.66Å; D789-R818 PolarHBondContact OD1-NH2 2.86Å; D789-R818 IonicContact OD2-CZ 2.7Å; D789-R818 IonicContact OD2-NE 2.71Å; D789-R818 IonicContact OD2-NH2 3.79Å; D789-R818 PolarHBondContact OD2-NH2 2.91Å; Y790-R818 PolarHBondContact N-O 3.31Å; Y790-R818 VanDerWaalsContact N-O 3.11Å; R818-Q820 HydrophobicContact CG-CG 4.46Å; R818-Q820 VanDerWaalsContact NE-NE2 3.12Å; R818-N855 WeakPolarHBondContact CA-O 3.35Å; R818-H857 PolarHBondContact NE-CD2 2.96Å; R818-H857 VanDerWaalsContact NE-CD2 3.25Å; R818-H857 PolarHBondContact NE-NE2 2.83Å
819	I	96.9	Very high	92.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.9	166.5	-66.4	165.3	0	0	0	109.5	M747 Y790 L808 L810 N855 V856 H857	M747-I819 HydrophobicContact CE-CD1 4.21Å; M747-I819 HydrophobicContact CE-CG1 4.3Å; M747-I819 HydrophobicContact SD-CD1 3.89Å; M747-I819 HydrophobicContact SD-CG1 4.5Å; Y790-I819 CarbonylContact O-C 3.53Å; Y790-I819 WeakPolarHBondContact O-CA 3.28Å; L808-I819 HydrophobicContact CB-CD1 4.44Å; L808-I819 HydrophobicContact CD1-CG2 3.92Å; L808-I819 HydrophobicContact CD2-CD1 4.35Å; L808-I819 HydrophobicContact CD2-CG2 4.45Å; L810-I819 HydrophobicContact CD1-CB 4.3Å; L810-I819 HydrophobicContact CD1-CD1 4.02Å; L810-I819 HydrophobicContact CD1-CG1 3.89Å; L810-I819 HydrophobicContact CD2-CD1 3.69Å; L810-I819 HydrophobicContact CD2-CG1 4.2Å; L810-I819 HydrophobicContact CG-CD1 3.87Å; L810-I819 HydrophobicContact CG-CG1 4.31Å; I819-N855 PolarHBondContact N-O 3.08Å; I819-N855 VanDerWaalsContact N-O 3.14Å; I819-V856 HydrophobicContact CB-CG1 4.49Å; I819-V856 HydrophobicContact CB-CG2 4.41Å; I819-V856 WeakPolarHBondContact O-CA 3.3Å; I819-H857 PolarHBondContact O-N 3.11Å
820	Q	97.2	Very high	92.4	Very high	44.5 Å²	44.5	44.8 Å²	44.8	21%	0.208	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122	171.8	-63	-177.2	-13.2	0	0	110.5	Y790 V791 I792 R818	Y790-Q820 PolarHBondContact O-N 3.11Å; V791-Q820 HydrophobicContact CG1-CB 4.48Å; V791-Q820 HydrophobicContact CG2-CB 4.41Å; I792-Q820 PolarHBondContact N-O 2.93Å; R818-Q820 HydrophobicContact CG-CG 4.46Å; R818-Q820 VanDerWaalsContact NE-NE2 3.12Å
821	L	97.7	Very high	92.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	104	171.5	-173.4	68.2	0	0	0	108.4	I792 I806 L808 N824 F826 I849 H857 I858 F859 N861	I792-L821 HydrophobicContact CB-CD1 3.71Å; I792-L821 HydrophobicContact CD1-CD1 4.42Å; I792-L821 HydrophobicContact CG2-CD1 3.57Å; I806-L821 HydrophobicContact CD1-CD1 3.97Å; I806-L821 HydrophobicContact CD1-CD2 4.45Å; L808-L821 HydrophobicContact CD1-CB 4.42Å; L808-L821 HydrophobicContact CD1-CD2 4.42Å; L821-N824 VanDerWaalsContact CD1-ND2 3.33Å; L821-N824 WeakPolarHBondContact CD1-ND2 3.26Å; L821-F826 HydrophobicContact CD1-CZ 4.36Å; L821-F826 HydrophobicContact CD2-CE2 4.43Å; L821-F826 HydrophobicContact CD2-CZ 4.15Å; L821-I849 HydrophobicContact CD2-CD1 3.81Å; L821-I849 HydrophobicContact CD2-CG1 4.34Å; L821-I849 HydrophobicContact CD2-CG2 4.09Å; L821-H857 PolarHBondContact N-O 3.12Å; L821-I858 HydrophobicContact CB-CG1 4.21Å; L821-I858 HydrophobicContact CB-CG2 4.5Å; L821-I858 HydrophobicContact CD2-CG1 4.17Å; L821-I858 HydrophobicContact CD2-CG2 4.11Å; L821-I858 HydrophobicContact CG-CG2 4.45Å; L821-F859 PolarHBondContact O-N 3Å; L821-N861 PolarHBondContact O-ND2 2.85Å
822	I	97.3	Very high	92.4	Very high	19.25 Å²	19.25	49.8 Å²	49.8	10%	0.099	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.5	-167.9	-166.8	-171.5	0	0	0	112.9	V791 I792 S793 Y794 N824 F859 R860 N861	V791-I822 HydrophobicContact CG1-CG2 4.23Å; I792-I822 PolarHBondContact O-N 3.22Å; S793-I822 WeakPolarHBondContact CA-O 3.24Å; S793-I822 WeakPolarHBondContact CB-O 3.36Å; Y794-I822 PolarHBondContact N-O 3.35Å; I822-N824 VanDerWaalsContact C-N 3.26Å; I822-N824 PolarHBondContact N-ND2 2.95Å; I822-N824 VanDerWaalsContact N-ND2 3.18Å; I822-N824 PolarHBondContact O-N 2.89Å; I822-N824 PolarHBondContact O-ND2 3.11Å; I822-N824 VanDerWaalsContact O-ND2 3.1Å; I822-F859 WeakPolarHBondContact CA-O 3.39Å; I822-F859 HydrophobicContact CB-CE2 4.43Å; I822-F859 HydrophobicContact CB-CZ 4.37Å; I822-F859 HydrophobicContact CD1-CD2 3.97Å; I822-F859 HydrophobicContact CD1-CE2 3.24Å; I822-F859 HydrophobicContact CD1-CZ 3.67Å; I822-F859 HydrophobicContact CG1-CD2 3.97Å; I822-F859 HydrophobicContact CG1-CE2 3.7Å; I822-F859 HydrophobicContact CG1-CZ 4.1Å; I822-F859 WeakPolarHBondContact CG1-O 3.28Å; I822-R860 HydrophobicContact CG1-CB 4.26Å; I822-N861 VanDerWaalsContact C-OD1 3.3Å; I822-N861 WeakPolarHBondContact CA-OD1 3.26Å; I822-N861 PolarHBondContact N-OD1 2.96Å
823	Y	97.5	Very high	92.1	Very high	47.25 Å²	47.25	50.2 Å²	50.2	19%	0.185	23%	0.233	C	C	.	.	S	Bend	trans	60.4	22.1	177.1	-54.8	-55.4	0	0	0	115.5	Y794 R860 N861 L935 R936	Y794-Y823 VanDerWaalsContact CA-O 3.24Å; Y794-Y823 WeakPolarHBondContact CA-O 3.39Å; Y794-Y823 HydrophobicContact CD1-CG 4.48Å; Y794-Y823 AromaticContact CE1-CD2 3.92Å; Y794-Y823 HydrophobicContact CE1-CD2 3.98Å; Y794-Y823 AromaticContact CE1-CG 3.9Å; Y794-Y823 HydrophobicContact CE1-CG 3.9Å; Y794-Y823 AromaticContact CE2-CD2 3.89Å; Y794-Y823 HydrophobicContact CE2-CD2 4.08Å; Y794-Y823 HydrophobicContact CE2-CG 4.48Å; Y794-Y823 AromaticContact CZ-CD2 3.55Å; Y794-Y823 VanDerWaalsContact CZ-CD2 3.46Å; Y794-Y823 AromaticContact CZ-CG 3.91Å; Y794-Y823 PolarHBondContact N-O 3.07Å; Y794-Y823 VanDerWaalsContact N-O 3.14Å; Y794-Y823 VanDerWaalsContact OH-CD2 3.27Å; Y794-Y823 WeakPolarHBondContact OH-CD2 3.38Å; Y823-R860 WeakPolarHBondContact CA-O 3.43Å; Y823-R860 HydrophobicContact CD1-CB 4.04Å; Y823-R860 HydrophobicContact CE1-CB 3.82Å; Y823-R860 HydrophobicContact CE1-CG 4.46Å; Y823-R860 PolarHBondContact N-O 3.02Å; Y823-R860 PolarHBondContact OH-NH1 3.44Å; Y823-N861 PolarHBondContact N-OD1 3.01Å; Y823-L935 HydrophobicContact CD1-CB 3.81Å; Y823-L935 HydrophobicContact CD1-CD1 4.47Å; Y823-L935 HydrophobicContact CE1-CB 4.2Å; Y823-R936 HydrophobicContact CE1-CG 3.69Å
824	N	98.1	Very high	91.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	23%	0.232	C	C	.	.			trans	-90.7	159.4	175.3	-53.5	-81.5	0	0	0	111.3	I792 S793 Y794 N795 F797 L821 I822 F826 N861 H862	I792-N824 PolarHBondContact O-ND2 2.91Å; S793-N824 VanDerWaalsContact C-OD1 3.27Å; S793-N824 VanDerWaalsContact CA-OD1 3.3Å; S793-N824 WeakPolarHBondContact CA-OD1 3.33Å; S793-N824 PolarHBondContact N-OD1 2.93Å; Y794-N824 PolarHBondContact N-OD1 3.05Å; N795-N824 WeakPolarHBondContact CB-OD1 3.39Å; N795-N824 PolarHBondContact N-OD1 2.89Å; N795-N824 PolarHBondContact ND2-OD1 2.94Å; N795-N824 CarbonylContact O-C 3.52Å; N795-N824 WeakPolarHBondContact O-CA 3.42Å; F797-N824 HydrophobicContact CE2-CB 4.26Å; L821-N824 VanDerWaalsContact CD1-ND2 3.33Å; L821-N824 WeakPolarHBondContact CD1-ND2 3.26Å; I822-N824 VanDerWaalsContact C-N 3.26Å; I822-N824 PolarHBondContact N-ND2 2.95Å; I822-N824 VanDerWaalsContact N-ND2 3.18Å; I822-N824 PolarHBondContact O-N 2.89Å; I822-N824 PolarHBondContact O-ND2 3.11Å; I822-N824 VanDerWaalsContact O-ND2 3.1Å; N824-F826 HydrophobicContact CB-CD2 4.45Å; N824-F826 HydrophobicContact CB-CE2 3.76Å; N824-F826 HydrophobicContact CB-CZ 4.3Å; N824-N861 WeakPolarHBondContact CB-OD1 3.19Å; N824-N861 PolarHBondContact N-OD1 3.23Å; N824-N861 PolarHBondContact ND2-OD1 3.13Å; N824-N861 VanDerWaalsContact ND2-OD1 3.08Å; N824-N861 CarbonylContact O-C 3.41Å; N824-N861 WeakPolarHBondContact O-CA 3.34Å; N824-N861 WeakPolarHBondContact O-CB 3.2Å; N824-H862 PolarHBondContact O-N 2.92Å
825	K	97.9	Very high	90.1	Very high	93.75 Å²	93.75	57 Å²	57	41%	0.408	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.2	174.9	-59.2	178.6	-174.6	172.4	0	110.5	N795 E796 F797 L827 H862	N795-K825 PolarHBondContact O-N 2.89Å; E796-K825 HydrophobicContact CG-CB 4.37Å; E796-K825 HydrophobicContact CG-CD 4.49Å; E796-K825 IonicContact OE2-NZ 3.77Å; E796-K825 PolarHBondContact OE2-NZ 2.86Å; F797-K825 PolarHBondContact N-O 3.03Å; K825-L827 HydrophobicContact CB-CD1 4.34Å; K825-L827 HydrophobicContact CB-CG 4.2Å; K825-L827 HydrophobicContact CD-CD1 4.3Å; K825-H862 HydrophobicContact CB-CB 4.44Å; K825-H862 HydrophobicContact CG-CB 4.19Å
826	F	97.8	Very high	88.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	101.1	174.7	-62.1	-95.2	0	0	0	108.2	F797 I805 I806 L821 N824 V848 I849 N861 H862 L863 W864 N865	F797-F826 HydrophobicContact CB-CD1 3.79Å; F797-F826 HydrophobicContact CB-CE1 4.2Å; F797-F826 HydrophobicContact CB-CG 4.47Å; F797-F826 HydrophobicContact CD1-CE1 4.36Å; F797-F826 AromaticContact CD2-CD1 3.71Å; F797-F826 HydrophobicContact CD2-CD1 3.71Å; F797-F826 AromaticContact CD2-CE1 3.38Å; F797-F826 HydrophobicContact CD2-CE1 3.38Å; F797-F826 VanDerWaalsContact CD2-CE1 3.43Å; F797-F826 HydrophobicContact CD2-CE2 4.32Å; F797-F826 HydrophobicContact CD2-CG 4.3Å; F797-F826 AromaticContact CD2-CZ 3.73Å; F797-F826 HydrophobicContact CD2-CZ 3.73Å; F797-F826 AromaticContact CE2-CE1 3.8Å; F797-F826 HydrophobicContact CE2-CE1 3.8Å; F797-F826 HydrophobicContact CE2-CE2 4.49Å; F797-F826 AromaticContact CE2-CZ 3.81Å; F797-F826 HydrophobicContact CE2-CZ 3.81Å; F797-F826 AromaticContact CG-CD1 3.86Å; F797-F826 HydrophobicContact CG-CD1 3.86Å; F797-F826 AromaticContact CG-CE1 3.75Å; F797-F826 HydrophobicContact CG-CE1 3.75Å; F797-F826 HydrophobicContact CG-CZ 4.5Å; F797-F826 HydrophobicContact CZ-CE1 4.44Å; F797-F826 WeakPolarHBondContact O-CA 3.23Å; I805-F826 HydrophobicContact CG2-CD1 4.31Å; I805-F826 HydrophobicContact CG2-CE1 4.27Å; I806-F826 HydrophobicContact CD1-CE1 3.56Å; I806-F826 HydrophobicContact CD1-CZ 3.49Å; I806-F826 VanDerWaalsContact CD1-CZ 3.47Å; I806-F826 HydrophobicContact CG1-CE1 3.88Å; I806-F826 HydrophobicContact CG1-CZ 4.29Å; L821-F826 HydrophobicContact CD1-CZ 4.36Å; L821-F826 HydrophobicContact CD2-CE2 4.43Å; L821-F826 HydrophobicContact CD2-CZ 4.15Å; N824-F826 HydrophobicContact CB-CD2 4.45Å; N824-F826 HydrophobicContact CB-CE2 3.76Å; N824-F826 HydrophobicContact CB-CZ 4.3Å; F826-V848 HydrophobicContact CB-CG1 4.17Å; F826-V848 HydrophobicContact CD1-CG1 3.73Å; F826-V848 HydrophobicContact CE1-CG1 4.44Å; F826-V848 HydrophobicContact CG-CG1 4.21Å; F826-I849 HydrophobicContact CD1-CD1 4.43Å; F826-I849 HydrophobicContact CD1-CG1 4.38Å; F826-I849 HydrophobicContact CD2-CD1 4.26Å; F826-I849 HydrophobicContact CE1-CD1 4.25Å; F826-I849 HydrophobicContact CE1-CG1 4.06Å; F826-I849 HydrophobicContact CE2-CD1 3.84Å; F826-I849 HydrophobicContact CE2-CG1 4.48Å; F826-I849 HydrophobicContact CG-CD1 4.47Å; F826-I849 HydrophobicContact CZ-CD1 3.84Å; F826-I849 HydrophobicContact CZ-CG1 4.06Å; F826-N861 HydrophobicContact CE2-CB 4.43Å; F826-H862 PolarHBondContact N-O 2.93Å; F826-L863 HydrophobicContact CB-CD2 4.12Å; F826-L863 HydrophobicContact CD2-CD2 3.5Å; F826-L863 VanDerWaalsContact CD2-CD2 3.49Å; F826-L863 HydrophobicContact CE2-CD2 4.16Å; F826-L863 HydrophobicContact CG-CD2 4Å; F826-W864 CarbonylContact O-C 3.46Å; F826-W864 PolarHBondContact O-N 2.92Å; F826-N865 WeakPolarHBondContact CB-ND2 3.38Å; F826-N865 PolarHBondContact O-ND2 3.06Å; F826-N865 VanDerWaalsContact O-ND2 3.16Å; F826-N865 PolarHBondContact O-OD1 3.11Å
827	L	96.3	Very high	87.1	Confident	31 Å²	31	49.5 Å²	49.5	16%	0.162	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.3	-169.5	-55	177.5	0	0	0	110.8	E796 F797 N798 N799 K825 N829 W864	E796-L827 HydrophobicContact CG-CD1 4.48Å; F797-L827 PolarHBondContact O-N 3Å; N798-L827 VanDerWaalsContact CA-O 3.3Å; N798-L827 WeakPolarHBondContact CA-O 3.38Å; N798-L827 PolarHBondContact OD1-O 2.95Å; N799-L827 PolarHBondContact N-O 3.13Å; K825-L827 HydrophobicContact CB-CD1 4.34Å; K825-L827 HydrophobicContact CB-CG 4.2Å; K825-L827 HydrophobicContact CD-CD1 4.3Å; L827-N829 PolarHBondContact N-ND2 3.19Å; L827-N829 VanDerWaalsContact N-ND2 3.19Å; L827-N829 PolarHBondContact O-N 2.94Å; L827-N829 PolarHBondContact O-ND2 3.04Å; L827-W864 WeakPolarHBondContact CA-O 3.37Å; L827-W864 HydrophobicContact CD2-CB 4.15Å
828	N	95.6	Very high	85.7	Confident	55 Å²	55	51.5 Å²	51.5	29%	0.294	26%	0.26	S	S	.	.	S	Bend	trans	54.5	22.2	172	-56.2	-51.3	0	0	0	115	N799 W864 N865	N799-N828 WeakPolarHBondContact CA-O 3.25Å; N799-N828 VanDerWaalsContact OD1-CB 3.31Å; N799-N828 WeakPolarHBondContact OD1-CB 3.36Å; N828-W864 PolarHBondContact N-O 3.04Å; N828-N865 PolarHBondContact N-OD1 2.97Å
829	N	96.4	Very high	84.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.			trans	-70.1	149.3	172	-53.7	-76.6	0	0	0	108.9	F797 N800 I805 L827 N865 S868	F797-N829 PolarHBondContact O-ND2 3.09Å; F797-N829 PolarHBondContact O-OD1 3.03Å; N800-N829 VanDerWaalsContact CB-OD1 3.3Å; N800-N829 WeakPolarHBondContact CB-OD1 3.38Å; N800-N829 PolarHBondContact N-OD1 3.34Å; N800-N829 PolarHBondContact ND2-OD1 3.02Å; N800-N829 CarbonylContact O-C 3.53Å; N800-N829 VanDerWaalsContact O-CA 3.3Å; N800-N829 WeakPolarHBondContact O-CA 3.3Å; N800-N829 WeakPolarHBondContact O-CB 3.3Å; I805-N829 HydrophobicContact CD1-CB 4.14Å; I805-N829 HydrophobicContact CG1-CB 3.85Å; L827-N829 PolarHBondContact N-ND2 3.19Å; L827-N829 VanDerWaalsContact N-ND2 3.19Å; L827-N829 PolarHBondContact O-N 2.94Å; L827-N829 PolarHBondContact O-ND2 3.04Å; N829-N865 VanDerWaalsContact CB-OD1 3.27Å; N829-N865 WeakPolarHBondContact CB-OD1 3.36Å; N829-N865 PolarHBondContact N-OD1 2.95Å; N829-N865 PolarHBondContact ND2-OD1 3.06Å; N829-S868 VanDerWaalsContact C-OG 3.3Å; N829-S868 PolarHBondContact O-OG 2.96Å
830	R	93.8	Very high	84	Confident	94 Å²	94	49.5 Å²	49.5	36%	0.355	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-127.5	92.4	-172.7	-58.2	-171.1	-176.2	169.8	-3.2	109.8	N800 Y801 S868	N800-R830 PolarHBondContact O-N 2.96Å; Y801-R830 HydrophobicContact CD1-CB 3.8Å; Y801-R830 HydrophobicContact CE1-CB 3.8Å; Y801-R830 HydrophobicContact CE1-CG 4.11Å; Y801-R830 PolarHBondContact OH-NH1 3.01Å; Y801-R830 VanDerWaalsContact OH-NH1 3.1Å; R830-S868 WeakPolarHBondContact CA-OG 3.38Å
831	V	91.6	Very high	83.2	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.248	C	C	.	.			trans	-110.1	107.4	173.6	179.9	0	0	0	0	107.5	G802 S803 I805 P846 V848 S868 D869	G802-V831 WeakPolarHBondContact O-CG1 3.43Å; S803-V831 WeakPolarHBondContact O-CG1 3.29Å; I805-V831 HydrophobicContact CD1-CG2 3.96Å; I805-V831 HydrophobicContact CG1-CG2 4.08Å; V831-P846 HydrophobicContact CG1-CB 3.68Å; V831-V848 HydrophobicContact CG2-CG2 4.26Å; V831-S868 PolarHBondContact N-OG 2.94Å; V831-S868 CarbonylContact O-C 3.58Å; V831-S868 VanDerWaalsContact O-CA 3.27Å; V831-S868 WeakPolarHBondContact O-CA 3.23Å; V831-S868 WeakPolarHBondContact O-CB 3.17Å; V831-D869 PolarHBondContact O-N 2.95Å; V831-D869 VanDerWaalsContact O-N 3.09Å
832	Q	86.3	Confident	82.7	Confident	122 Å²	122	48 Å²	48	57%	0.57	25%	0.248	S	C	*	.			trans	-116.7	136.9	-175.5	-67.8	-176.9	-31.4	0	0	110.2	K834 Y867 D869	Q832-K834 PolarHBondContact O-N 3.15Å; Q832-Y867 WeakPolarHBondContact CG-O 3.48Å; Q832-Y867 PolarHBondContact NE2-O 3.07Å; Q832-D869 WeakPolarHBondContact CA-OD2 3.19Å
833	I	78.5	Confident	82	Confident	45.25 Å²	45.25	47.2 Å²	47.2	23%	0.232	24%	0.244	C	C	.	.			trans	-74.5	120.7	171.1	-58.2	170.2	0	0	0	106.2	S835 P841 P846 D869 I870	I833-S835 VanDerWaalsContact C-N 3.32Å; I833-S835 PolarHBondContact O-N 3Å; I833-S835 PolarHBondContact O-OG 3.28Å; I833-P841 HydrophobicContact CD1-CG 4.41Å; I833-P841 HydrophobicContact CG2-CG 4.17Å; I833-P846 HydrophobicContact CG1-CG 4.45Å; I833-D869 HydrophobicContact CD1-CB 4.22Å; I833-D869 HydrophobicContact CG1-CB 4.26Å; I833-D869 PolarHBondContact N-OD2 2.9Å; I833-I870 HydrophobicContact CD1-CG1 4.2Å
834	K	68.3	Low	81.3	Confident	120.75 Å²	120.75	47.1 Å²	47.1	53%	0.525	25%	0.249	S	C	.	.			trans	-57.6	98.6	179.3	-69.4	179.6	-179.9	173.1	0	109.4	Q832 S836 S837 T1171 E1175	Q832-K834 PolarHBondContact O-N 3.15Å; K834-S836 VanDerWaalsContact C-N 3.27Å; K834-S836 PolarHBondContact O-N 2.94Å; K834-S836 VanDerWaalsContact O-N 3.14Å; K834-S837 WeakPolarHBondContact O-CB 3.24Å; K834-S837 PolarHBondContact O-N 2.96Å; K834-S837 PolarHBondContact O-OG 3.08Å; K834-T1171 PolarHBondContact NZ-OG1 2.67Å; K834-E1175 IonicContact NZ-OE1 3.6Å; K834-E1175 PolarHBondContact NZ-OE1 3.34Å; K834-E1175 VanDerWaalsContact NZ-OE1 3.09Å
835	S	50	Low	80.9	Confident	116.25 Å²	116.25	47.3 Å²	47.3	81%	0.813	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-17.7	-171.1	-94.9	0	0	0	0	114.4	I833 S837	I833-S835 VanDerWaalsContact C-N 3.32Å; I833-S835 PolarHBondContact O-N 3Å; I833-S835 PolarHBondContact O-OG 3.28Å; S835-S837 VanDerWaalsContact C-N 3.29Å; S835-S837 PolarHBondContact O-N 3.1Å
836	S	49.4	Very low	80.5	Confident	102 Å²	102	44.3 Å²	44.3	71%	0.713	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.9	175.2	54.6	0	0	0	0	113.7	K834 L838	K834-S836 VanDerWaalsContact C-N 3.27Å; K834-S836 PolarHBondContact O-N 2.94Å; K834-S836 VanDerWaalsContact O-N 3.14Å; S836-L838 PolarHBondContact O-N 3.13Å; S836-L838 VanDerWaalsContact O-N 3.12Å
837	S	55.2	Low	80.4	Confident	32.75 Å²	32.75	44.3 Å²	44.3	23%	0.229	24%	0.24	C	C	.	.			trans	-74.1	118.9	178.9	72.4	0	0	0	0	110.5	K834 S835 L839 K840	K834-S837 WeakPolarHBondContact O-CB 3.24Å; K834-S837 PolarHBondContact O-N 2.96Å; K834-S837 PolarHBondContact O-OG 3.08Å; S835-S837 VanDerWaalsContact C-N 3.29Å; S835-S837 PolarHBondContact O-N 3.1Å; S837-L839 WeakPolarHBondContact CB-O 3.4Å; S837-L839 PolarHBondContact O-N 3.27Å; S837-L839 VanDerWaalsContact O-N 3.09Å; S837-L839 PolarHBondContact OG-O 2.89Å; S837-K840 PolarHBondContact O-NZ 3.39Å
838	L	64.1	Low	80.4	Confident	45.75 Å²	45.75	42.8 Å²	42.8	24%	0.24	23%	0.232	C	C	.	.	S	Bend	trans	-57.6	-21.4	168.4	-154.3	71.9	0	0	0	112.1	S836 S1014 Q1041 V1042 G1125 P1203	S836-L838 PolarHBondContact O-N 3.13Å; S836-L838 VanDerWaalsContact O-N 3.12Å; L838-S1014 WeakPolarHBondContact O-CB 3.1Å; L838-S1014 PolarHBondContact O-OG 3.17Å; L838-Q1041 HydrophobicContact CD1-CB 4.09Å; L838-Q1041 HydrophobicContact CD2-CB 3.97Å; L838-Q1041 HydrophobicContact CG-CB 4.49Å; L838-V1042 HydrophobicContact CD1-CG2 3.7Å; L838-V1042 HydrophobicContact CD2-CB 4.18Å; L838-V1042 HydrophobicContact CD2-CG2 3.32Å; L838-V1042 HydrophobicContact CG-CG2 4.14Å; L838-G1125 WeakPolarHBondContact CD2-O 3.25Å; L838-P1203 HydrophobicContact CD2-CB 4.3Å; L838-P1203 HydrophobicContact CD2-CG 3.79Å; L838-P1203 VanDerWaalsContact CD2-CG 3.49Å; L838-P1203 HydrophobicContact CG-CG 3.84Å
839	L	75.1	Confident	80.5	Confident	1.75 Å²	1.75	40.2 Å²	40.2	1%	0.009	22%	0.218	C	C	.	.	S	Bend	trans	-90.5	131.5	-179.4	-60.1	174.6	0	0	0	110.7	S837 L1122 L1126 V1127 P1203 L1231 Y1234	S837-L839 WeakPolarHBondContact CB-O 3.4Å; S837-L839 PolarHBondContact O-N 3.27Å; S837-L839 VanDerWaalsContact O-N 3.09Å; S837-L839 PolarHBondContact OG-O 2.89Å; L839-L1122 HydrophobicContact CB-CD1 4.32Å; L839-L1122 HydrophobicContact CD1-CD1 3.59Å; L839-L1122 VanDerWaalsContact CD1-CD1 3.49Å; L839-L1122 HydrophobicContact CG-CD1 4.41Å; L839-L1126 WeakPolarHBondContact CD1-O 3.32Å; L839-V1127 HydrophobicContact CD1-CG1 3.77Å; L839-V1127 VanDerWaalsContact CD1-CG1 3.48Å; L839-V1127 HydrophobicContact CD1-CG2 3.82Å; L839-V1127 HydrophobicContact CD2-CG1 3.81Å; L839-V1127 VanDerWaalsContact CD2-CG1 3.5Å; L839-V1127 HydrophobicContact CD2-CG2 3.7Å; L839-V1127 HydrophobicContact CG-CG1 4.39Å; L839-V1127 HydrophobicContact CG-CG2 4.38Å; L839-P1203 HydrophobicContact CD2-CB 3.52Å; L839-P1203 VanDerWaalsContact CD2-CB 3.46Å; L839-P1203 HydrophobicContact CD2-CG 3.69Å; L839-P1203 HydrophobicContact CG-CG 4.17Å; L839-L1231 HydrophobicContact CD2-CD2 4.03Å; L839-Y1234 HydrophobicContact CB-CD1 4.14Å; L839-Y1234 HydrophobicContact CB-CE1 3.86Å; L839-Y1234 HydrophobicContact CB-CE2 4.42Å; L839-Y1234 HydrophobicContact CB-CG 4.48Å; L839-Y1234 HydrophobicContact CD1-CD1 4.28Å; L839-Y1234 HydrophobicContact CD1-CD2 4.03Å; L839-Y1234 HydrophobicContact CD1-CE2 4.33Å; L839-Y1234 HydrophobicContact CD1-CG 4.14Å; L839-Y1234 HydrophobicContact CD2-CD1 4.37Å; L839-Y1234 HydrophobicContact CD2-CG 4.39Å
840	K	79	Confident	80.4	Confident	66.5 Å²	66.5	40.3 Å²	40.3	29%	0.289	22%	0.219	S	C	.	.			trans	-102.8	139.6	177.2	-67.8	-115.7	176.4	-171.7	0	110.5	S837 D1013 Y1234	S837-K840 PolarHBondContact O-NZ 3.39Å; K840-D1013 HydrophobicContact CD-CB 4.18Å; K840-D1013 VanDerWaalsContact CE-OD2 3.27Å; K840-D1013 WeakPolarHBondContact CE-OD2 3.37Å; K840-D1013 HydrophobicContact CG-CB 3.98Å; K840-D1013 IonicContact NZ-OD2 3.15Å; K840-D1013 PolarHBondContact NZ-OD2 2.9Å; K840-Y1234 WeakPolarHBondContact O-CE1 3.24Å
841	P	81.4	Confident	80.5	Confident	10.75 Å²	10.75	35.8 Å²	35.8	7%	0.07	20%	0.202	C	C	.	.			trans	-52	143.5	176.8	-4.9	2.7	0	0	0	112.9	I833 T844 C845 F913 R918	I833-P841 HydrophobicContact CD1-CG 4.41Å; I833-P841 HydrophobicContact CG2-CG 4.17Å; P841-T844 WeakPolarHBondContact CB-O 3.24Å; P841-C845 HydrophobicContact CB-CB 3.95Å; P841-C845 HydrophobicContact CG-CB 4.33Å; P841-F913 HydrophobicContact CB-CE2 4.27Å; P841-F913 HydrophobicContact CB-CZ 4.15Å; P841-F913 HydrophobicContact CG-CE2 4.49Å; P841-R918 VanDerWaalsContact O-CZ 3.25Å; P841-R918 PolarHBondContact O-NE 3.14Å; P841-R918 PolarHBondContact O-NH2 3.18Å
842	R	86.7	Confident	80.4	Confident	3.25 Å²	3.25	36.3 Å²	36.3	1%	0.012	21%	0.207	C	C	.	.	S	Bend	trans	-122.2	-80.3	174.7	-179.8	170.5	-169.9	81.7	15.2	112.4	T844 F913 R918 Y919 T920 D993 G1015 L1232 D1233	R842-T844 PolarHBondContact N-O 3.14Å; R842-F913 VanDerWaalsContact O-CE1 3.29Å; R842-F913 WeakPolarHBondContact O-CE1 3.32Å; R842-R918 HydrophobicContact CG-CG 4.2Å; R842-R918 WeakPolarHBondContact O-CG 3.43Å; R842-Y919 VanDerWaalsContact NH2-CE1 3.27Å; R842-T920 PolarHBondContact NH2-OG1 2.93Å; R842-D993 IonicContact CZ-OD1 3.55Å; R842-D993 IonicContact CZ-OD2 3.18Å; R842-D993 VanDerWaalsContact CZ-OD2 3.27Å; R842-D993 VanDerWaalsContact NH1-CG 3.33Å; R842-D993 IonicContact NH1-OD1 2.86Å; R842-D993 PolarHBondContact NH1-OD1 3.15Å; R842-D993 VanDerWaalsContact NH1-OD1 3.08Å; R842-D993 IonicContact NH1-OD2 3.15Å; R842-D993 PolarHBondContact NH1-OD2 3.08Å; R842-D993 IonicContact NH2-OD2 3.36Å; R842-D993 PolarHBondContact NH2-OD2 3.19Å; R842-G1015 PolarHBondContact NH1-O 3Å; R842-L1232 WeakPolarHBondContact CD-O 3.34Å; R842-L1232 VanDerWaalsContact NE-CD1 3.27Å; R842-D1233 HydrophobicContact CB-CB 4.29Å; R842-D1233 WeakPolarHBondContact CB-OD2 3.32Å
843	S	82.7	Confident	80.7	Confident	2.25 Å²	2.25	30.5 Å²	30.5	2%	0.016	18%	0.18	C	C	.	.	S	Bend	trans	-84.9	-27.1	176.7	46	0	0	0	0	112.2	H875 D1233 R1236	S843-H875 WeakPolarHBondContact O-CA 3.2Å; S843-H875 PolarHBondContact O-CD2 3.03Å; S843-H875 VanDerWaalsContact O-CD2 3.25Å; S843-H875 VanDerWaalsContact O-CG 3.29Å; S843-D1233 WeakPolarHBondContact CA-OD2 3.28Å; S843-D1233 WeakPolarHBondContact CB-OD2 3.44Å; S843-D1233 PolarHBondContact N-OD2 3.07Å; S843-D1233 PolarHBondContact OG-OD2 3.1Å; S843-R1236 VanDerWaalsContact CB-CZ 3.48Å; S843-R1236 WeakPolarHBondContact OG-CD 3.31Å; S843-R1236 PolarHBondContact OG-NE 3.07Å; S843-R1236 VanDerWaalsContact OG-NE 3.08Å
844	T	83.3	Confident	81.3	Confident	46 Å²	46	29.6 Å²	29.6	28%	0.282	18%	0.177	S	C	.	.			trans	-113.2	112.1	179.3	60.1	0	0	0	0	110.1	P841 R842 H875 T1235	P841-T844 WeakPolarHBondContact CB-O 3.24Å; R842-T844 PolarHBondContact N-O 3.14Å; T844-H875 VanDerWaalsContact CA-CE1 3.47Å; T844-H875 WeakPolarHBondContact CA-CE1 3.3Å; T844-T1235 WeakPolarHBondContact OG1-CB 3.31Å; T844-T1235 VanDerWaalsContact OG1-CG2 3.24Å; T844-T1235 WeakPolarHBondContact OG1-CG2 3.43Å; T844-T1235 PolarHBondContact OG1-OG1 3.14Å; T844-T1235 VanDerWaalsContact OG1-OG1 3.04Å
845	C	89.1	Confident	82.5	Confident	2.25 Å²	2.25	25.2 Å²	25.2	2%	0.015	16%	0.16	C	C	.	.			trans	-120.6	131	174.9	-175.3	0	0	0	0	110	P841 A847 A873 H875 F913	P841-C845 HydrophobicContact CB-CB 3.95Å; P841-C845 HydrophobicContact CG-CB 4.33Å; C845-A847 PolarHBondContact O-N 3.33Å; C845-A873 HydrophobicContact CB-CB 4.1Å; C845-H875 PolarHBondContact N-NE2 3.27Å; C845-H875 VanDerWaalsContact N-NE2 3.17Å; C845-H875 PolarHBondContact O-NE2 2.99Å; C845-F913 HydrophobicContact CB-CB 4.32Å; C845-F913 HydrophobicContact CB-CD1 3.4Å; C845-F913 VanDerWaalsContact CB-CD1 3.44Å; C845-F913 HydrophobicContact CB-CD2 4.29Å; C845-F913 HydrophobicContact CB-CE1 3.61Å; C845-F913 HydrophobicContact CB-CE2 4.44Å; C845-F913 HydrophobicContact CB-CG 3.76Å; C845-F913 HydrophobicContact CB-CZ 4.16Å
846	P	90.6	Very high	84.6	Confident	31.25 Å²	31.25	19.6 Å²	19.6	20%	0.203	12%	0.121	C	C	.	.			trans	-59.6	129.8	169.7	-23.3	34	0	0	0	111.1	S803 V831 I833	S803-P846 CarbonylContact O-C 3.56Å; S803-P846 WeakPolarHBondContact O-CA 3.26Å; S803-P846 WeakPolarHBondContact O-CB 3.29Å; V831-P846 HydrophobicContact CG1-CB 3.68Å; I833-P846 HydrophobicContact CG1-CG 4.45Å
847	A	94.3	Very high	86.8	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.6	177.2	0	0	0	0	0	111.7	S803 Y804 C845 I849 V850 I870 A873	S803-A847 PolarHBondContact O-N 3.04Å; S803-A847 VanDerWaalsContact O-N 3.1Å; Y804-A847 VanDerWaalsContact CA-O 3.25Å; Y804-A847 WeakPolarHBondContact CA-O 3.38Å; C845-A847 PolarHBondContact O-N 3.33Å; A847-I849 VanDerWaalsContact C-N 3.29Å; A847-I849 PolarHBondContact O-N 3.12Å; A847-V850 HydrophobicContact CB-CG2 4.16Å; A847-I870 WeakPolarHBondContact CA-O 3.26Å; A847-I870 HydrophobicContact CB-CB 4.06Å; A847-I870 HydrophobicContact CB-CG2 3.61Å; A847-A873 HydrophobicContact CB-CB 3.46Å; A847-A873 VanDerWaalsContact CB-CB 3.46Å
848	V	96.8	Very high	88.8	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	-47.1	175.8	-178.9	0	0	0	0	111.1	I805 I806 F826 V831 N865 S868 I870 E871	I805-V848 WeakPolarHBondContact CA-O 3.28Å; I805-V848 HydrophobicContact CB-CG1 4.07Å; I805-V848 VanDerWaalsContact CB-O 3.23Å; I805-V848 WeakPolarHBondContact CB-O 3.32Å; I805-V848 HydrophobicContact CG1-CB 4.43Å; I805-V848 HydrophobicContact CG1-CG1 3.85Å; I805-V848 PolarHBondContact N-O 2.87Å; I806-V848 PolarHBondContact N-O 3.08Å; F826-V848 HydrophobicContact CB-CG1 4.17Å; F826-V848 HydrophobicContact CD1-CG1 3.73Å; F826-V848 HydrophobicContact CE1-CG1 4.44Å; F826-V848 HydrophobicContact CG-CG1 4.21Å; V831-V848 HydrophobicContact CG2-CG2 4.26Å; V848-N865 HydrophobicContact CG2-CB 3.95Å; V848-S868 WeakPolarHBondContact CG2-OG 3.2Å; V848-I870 PolarHBondContact N-O 3.18Å; V848-E871 HydrophobicContact CB-CB 4.44Å; V848-E871 WeakPolarHBondContact CB-O 3.4Å; V848-E871 HydrophobicContact CG2-CB 4.38Å; V848-E871 HydrophobicContact CG2-CG 4.31Å; V848-E871 PolarHBondContact N-O 2.91Å
849	I	97.4	Very high	90.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.2	174.9	-55.4	163.8	0	0	0	109.1	I806 L821 F826 A847 I851 I858 L863 E871 L872 A873	I806-I849 CarbonylContact O-C 3.54Å; I806-I849 WeakPolarHBondContact O-CA 3.36Å; L821-I849 HydrophobicContact CD2-CD1 3.81Å; L821-I849 HydrophobicContact CD2-CG1 4.34Å; L821-I849 HydrophobicContact CD2-CG2 4.09Å; F826-I849 HydrophobicContact CD1-CD1 4.43Å; F826-I849 HydrophobicContact CD1-CG1 4.38Å; F826-I849 HydrophobicContact CD2-CD1 4.26Å; F826-I849 HydrophobicContact CE1-CD1 4.25Å; F826-I849 HydrophobicContact CE1-CG1 4.06Å; F826-I849 HydrophobicContact CE2-CD1 3.84Å; F826-I849 HydrophobicContact CE2-CG1 4.48Å; F826-I849 HydrophobicContact CG-CD1 4.47Å; F826-I849 HydrophobicContact CZ-CD1 3.84Å; F826-I849 HydrophobicContact CZ-CG1 4.06Å; A847-I849 VanDerWaalsContact C-N 3.29Å; A847-I849 PolarHBondContact O-N 3.12Å; I849-I851 HydrophobicContact CG2-CD1 4.31Å; I849-I851 HydrophobicContact CG2-CG1 4.16Å; I849-I858 HydrophobicContact CG2-CD1 3.95Å; I849-L863 HydrophobicContact CD1-CD2 3.67Å; I849-E871 PolarHBondContact N-O 3.05Å; I849-L872 HydrophobicContact CB-CD2 3.69Å; I849-L872 HydrophobicContact CD1-CD2 3.83Å; I849-L872 HydrophobicContact CG1-CD2 4.17Å; I849-L872 HydrophobicContact CG2-CD2 4.16Å; I849-L872 WeakPolarHBondContact O-CA 3.4Å; I849-A873 PolarHBondContact O-N 2.99Å
850	V	95.2	Very high	91.3	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.012	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132	177.1	172.5	0	0	0	0	109.9	I806 Y807 L808 A847 A873 H875	I806-V850 PolarHBondContact O-N 3.07Å; Y807-V850 HydrophobicContact CD2-CB 3.73Å; Y807-V850 HydrophobicContact CD2-CG1 3.27Å; Y807-V850 HydrophobicContact CD2-CG2 4.47Å; Y807-V850 HydrophobicContact CE2-CB 4.36Å; Y807-V850 HydrophobicContact CE2-CG1 3.41Å; Y807-V850 VanDerWaalsContact CE2-CG1 3.44Å; Y807-V850 HydrophobicContact CG-CB 4.41Å; Y807-V850 HydrophobicContact CG-CG1 4.23Å; L808-V850 PolarHBondContact N-O 3.21Å; A847-V850 HydrophobicContact CB-CG2 4.16Å; V850-A873 HydrophobicContact CG2-CB 4.49Å; V850-H875 HydrophobicContact CG1-CB 4.17Å; V850-H875 VanDerWaalsContact CG1-CD2 3.44Å; V850-H875 WeakPolarHBondContact CG1-CD2 3.34Å; V850-H875 WeakPolarHBondContact CG1-CE1 3.3Å; V850-H875 VanDerWaalsContact CG1-CG 3.42Å; V850-H875 VanDerWaalsContact CG1-ND1 3.34Å; V850-H875 WeakPolarHBondContact CG1-ND1 3.27Å; V850-H875 VanDerWaalsContact CG1-NE2 3.32Å; V850-H875 WeakPolarHBondContact CG1-NE2 3.34Å
851	I	94.9	Very high	92.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	114.1	-172.2	-50.4	134.7	0	0	0	110.8	L808 I849 S853 V856 I858 L872 A873 H875 L876 I883 I924	L808-I851 WeakPolarHBondContact O-CA 3.24Å; I849-I851 HydrophobicContact CG2-CD1 4.31Å; I849-I851 HydrophobicContact CG2-CG1 4.16Å; I851-S853 WeakPolarHBondContact CG2-O 3.24Å; I851-V856 HydrophobicContact CG2-CB 3.95Å; I851-V856 HydrophobicContact CG2-CG1 4.36Å; I851-V856 HydrophobicContact CG2-CG2 4.4Å; I851-I858 HydrophobicContact CD1-CD1 3.38Å; I851-I858 VanDerWaalsContact CD1-CD1 3.44Å; I851-I858 HydrophobicContact CD1-CG1 4.32Å; I851-I858 HydrophobicContact CG1-CD1 3.55Å; I851-I858 HydrophobicContact CG2-CD1 4.36Å; I851-L872 HydrophobicContact CD1-CD2 4.17Å; I851-A873 PolarHBondContact N-O 3.2Å; I851-H875 PolarHBondContact O-N 3.11Å; I851-L876 PolarHBondContact O-N 3.19Å; I851-I883 HydrophobicContact CB-CD1 4.13Å; I851-I883 HydrophobicContact CB-CG2 4.45Å; I851-I883 HydrophobicContact CD1-CG2 4.11Å; I851-I883 HydrophobicContact CG1-CG2 4.42Å; I851-I883 HydrophobicContact CG2-CD1 3.82Å; I851-I883 HydrophobicContact CG2-CG1 4.3Å; I851-I883 HydrophobicContact CG2-CG2 3.9Å; I851-I924 HydrophobicContact CD1-CD1 4.35Å
852	G	90.5	Very high	92.9	Very high	11 Å²	11	15.1 Å²	15.1	11%	0.113	8%	0.082	C	C	.	.			trans	-92.6	-8.6	178.6	0	0	0	0	0	115.5	L808 L876	L808-G852 PolarHBondContact O-N 3.09Å; G852-L876 WeakPolarHBondContact O-CB 3.35Å; G852-L876 WeakPolarHBondContact O-CD1 3.38Å
853	S	91.7	Very high	93.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.			trans	-153.4	151.7	-178.6	173.6	0	0	0	0	113.7	L810 E812 I851 N855 V856	L810-S853 VanDerWaalsContact O-CB 3.27Å; L810-S853 WeakPolarHBondContact O-CB 3.3Å; E812-S853 VanDerWaalsContact OE2-CA 3.28Å; E812-S853 WeakPolarHBondContact OE2-CA 3.36Å; E812-S853 WeakPolarHBondContact OE2-CB 3.39Å; E812-S853 PolarHBondContact OE2-OG 3.17Å; I851-S853 WeakPolarHBondContact CG2-O 3.24Å; S853-N855 PolarHBondContact O-N 3.15Å; S853-N855 PolarHBondContact OG-N 3.06Å; S853-N855 VanDerWaalsContact OG-N 3.17Å; S853-V856 PolarHBondContact O-N 3.16Å
854	S	91.4	Very high	93.9	Very high	26.25 Å²	26.25	17.4 Å²	17.4	18%	0.184	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.7	173.4	76.4	0	0	0	0	113.9	E812 V856	E812-S854 VanDerWaalsContact CD-OG 3.26Å; E812-S854 VanDerWaalsContact OE1-CB 3.31Å; E812-S854 WeakPolarHBondContact OE1-CB 3.26Å; E812-S854 PolarHBondContact OE1-OG 3.05Å; E812-S854 PolarHBondContact OE2-N 2.87Å; E812-S854 PolarHBondContact OE2-OG 2.89Å; S854-V856 PolarHBondContact O-N 2.95Å; S854-V856 VanDerWaalsContact O-N 3.16Å
855	N	92.9	Very high	94.5	Very high	28.75 Å²	28.75	15.2 Å²	15.2	15%	0.154	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-3	172.7	-73.7	-27.2	0	0	0	113.6	L810 I811 S814 Q817 R818 I819 S853	L810-N855 HydrophobicContact CB-CB 4.23Å; L810-N855 HydrophobicContact CD1-CB 3.75Å; I811-N855 PolarHBondContact O-ND2 2.99Å; I811-N855 VanDerWaalsContact O-ND2 3.09Å; S814-N855 PolarHBondContact O-ND2 3.15Å; Q817-N855 WeakPolarHBondContact O-CB 3.31Å; R818-N855 WeakPolarHBondContact CA-O 3.35Å; I819-N855 PolarHBondContact N-O 3.08Å; I819-N855 VanDerWaalsContact N-O 3.14Å; S853-N855 PolarHBondContact O-N 3.15Å; S853-N855 PolarHBondContact OG-N 3.06Å; S853-N855 VanDerWaalsContact OG-N 3.17Å
856	V	95.3	Very high	94.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.2	172.4	-176.6	0	0	0	0	109.2	L808 L810 I819 I851 S853 S854 I858	L808-V856 HydrophobicContact CB-CG1 3.96Å; L808-V856 HydrophobicContact CB-CG2 3.92Å; L808-V856 HydrophobicContact CD1-CG1 3.57Å; L808-V856 HydrophobicContact CG-CG1 4.4Å; L810-V856 HydrophobicContact CD1-CG2 4.23Å; L810-V856 HydrophobicContact CG-CG2 4.3Å; I819-V856 HydrophobicContact CB-CG1 4.49Å; I819-V856 HydrophobicContact CB-CG2 4.41Å; I819-V856 WeakPolarHBondContact O-CA 3.3Å; I851-V856 HydrophobicContact CG2-CB 3.95Å; I851-V856 HydrophobicContact CG2-CG1 4.36Å; I851-V856 HydrophobicContact CG2-CG2 4.4Å; S853-V856 PolarHBondContact O-N 3.16Å; S854-V856 PolarHBondContact O-N 2.95Å; S854-V856 VanDerWaalsContact O-N 3.16Å; V856-I858 HydrophobicContact CG1-CD1 4.15Å; V856-I858 HydrophobicContact CG1-CG1 4.22Å
857	H	95.2	Very high	94.5	Very high	53.25 Å²	53.25	22.1 Å²	22.1	25%	0.247	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.7	179	-57.3	-70.4	0	0	0	111.2	R818 I819 L821 F859	R818-H857 PolarHBondContact NE-CD2 2.96Å; R818-H857 VanDerWaalsContact NE-CD2 3.25Å; R818-H857 PolarHBondContact NE-NE2 2.83Å; I819-H857 PolarHBondContact O-N 3.11Å; L821-H857 PolarHBondContact N-O 3.12Å; H857-F859 HydrophobicContact CB-CD1 4.04Å; H857-F859 HydrophobicContact CB-CE1 3.94Å
858	I	96.5	Very high	94.5	Very high	0.25 Å²	0.25	22.2 Å²	22.2	0%	0.001	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	106	-176.5	-55.5	148	0	0	0	109	L821 I849 I851 V856 N861 L872 I883 N884 A885 N888	L821-I858 HydrophobicContact CB-CG1 4.21Å; L821-I858 HydrophobicContact CB-CG2 4.5Å; L821-I858 HydrophobicContact CD2-CG1 4.17Å; L821-I858 HydrophobicContact CD2-CG2 4.11Å; L821-I858 HydrophobicContact CG-CG2 4.45Å; I849-I858 HydrophobicContact CG2-CD1 3.95Å; I851-I858 HydrophobicContact CD1-CD1 3.38Å; I851-I858 VanDerWaalsContact CD1-CD1 3.44Å; I851-I858 HydrophobicContact CD1-CG1 4.32Å; I851-I858 HydrophobicContact CG1-CD1 3.55Å; I851-I858 HydrophobicContact CG2-CD1 4.36Å; V856-I858 HydrophobicContact CG1-CD1 4.15Å; V856-I858 HydrophobicContact CG1-CG1 4.22Å; I858-N861 WeakPolarHBondContact CG2-ND2 3.44Å; I858-L872 HydrophobicContact CD1-CD2 4.37Å; I858-I883 HydrophobicContact CD1-CG2 4.1Å; I858-N884 PolarHBondContact N-O 3.09Å; I858-N884 VanDerWaalsContact N-O 3.08Å; I858-A885 CarbonylContact O-C 3.49Å; I858-A885 VanDerWaalsContact O-C 3.3Å; I858-A885 VanDerWaalsContact O-CA 3.22Å; I858-A885 WeakPolarHBondContact O-CA 3.3Å; I858-N888 PolarHBondContact O-ND2 2.94Å; I858-N888 VanDerWaalsContact O-ND2 3.17Å
859	F	95.6	Very high	94.2	Very high	48 Å²	48	25.5 Å²	25.5	21%	0.211	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.8	-177.9	58.8	-79.3	0	0	0	111.4	L821 I822 H857 N861 T886 N888	L821-F859 PolarHBondContact O-N 3Å; I822-F859 WeakPolarHBondContact CA-O 3.39Å; I822-F859 HydrophobicContact CB-CE2 4.43Å; I822-F859 HydrophobicContact CB-CZ 4.37Å; I822-F859 HydrophobicContact CD1-CD2 3.97Å; I822-F859 HydrophobicContact CD1-CE2 3.24Å; I822-F859 HydrophobicContact CD1-CZ 3.67Å; I822-F859 HydrophobicContact CG1-CD2 3.97Å; I822-F859 HydrophobicContact CG1-CE2 3.7Å; I822-F859 HydrophobicContact CG1-CZ 4.1Å; I822-F859 WeakPolarHBondContact CG1-O 3.28Å; H857-F859 HydrophobicContact CB-CD1 4.04Å; H857-F859 HydrophobicContact CB-CE1 3.94Å; F859-N861 VanDerWaalsContact C-N 3.29Å; F859-N861 PolarHBondContact N-ND2 3Å; F859-N861 PolarHBondContact O-N 3.03Å; F859-N861 PolarHBondContact O-ND2 3.16Å; F859-N861 VanDerWaalsContact O-ND2 3.15Å; F859-T886 VanDerWaalsContact CA-O 3.28Å; F859-T886 WeakPolarHBondContact CA-O 3.37Å; F859-T886 VanDerWaalsContact CB-O 3.26Å; F859-T886 WeakPolarHBondContact CB-O 3.19Å; F859-N888 VanDerWaalsContact C-OD1 3.28Å; F859-N888 WeakPolarHBondContact CA-OD1 3.38Å
860	R	96.7	Very high	94.1	Very high	36 Å²	36	26.1 Å²	26.1	14%	0.136	13%	0.126	C	C	.	.	S	Bend	trans	55.7	39.6	178.9	-62.3	-178	171	-91.4	0.1	113.4	I822 Y823 L887 N888 L930 L935 R936 S937 N938	I822-R860 HydrophobicContact CG1-CB 4.26Å; Y823-R860 WeakPolarHBondContact CA-O 3.43Å; Y823-R860 HydrophobicContact CD1-CB 4.04Å; Y823-R860 HydrophobicContact CE1-CB 3.82Å; Y823-R860 HydrophobicContact CE1-CG 4.46Å; Y823-R860 PolarHBondContact N-O 3.02Å; Y823-R860 PolarHBondContact OH-NH1 3.44Å; R860-L887 WeakPolarHBondContact CA-O 3.38Å; R860-L887 HydrophobicContact CG-CB 4.2Å; R860-L887 PolarHBondContact N-O 3.08Å; R860-N888 PolarHBondContact N-OD1 3.05Å; R860-N888 VanDerWaalsContact N-OD1 3.15Å; R860-L930 HydrophobicContact CG-CD1 4.49Å; R860-L935 HydrophobicContact CB-CB 4.48Å; R860-L935 WeakPolarHBondContact CB-O 3.38Å; R860-L935 VanDerWaalsContact CD-O 3.25Å; R860-L935 WeakPolarHBondContact CD-O 3.33Å; R860-L935 VanDerWaalsContact CG-O 3.3Å; R860-L935 WeakPolarHBondContact CG-O 3.33Å; R860-L935 PolarHBondContact NH1-O 3.03Å; R860-L935 WeakPolarHBondContact O-CD1 3.33Å; R860-R936 VanDerWaalsContact NH1-C 3.28Å; R860-R936 VanDerWaalsContact NH1-CA 3.3Å; R860-R936 PolarHBondContact NH1-O 2.01Å; R860-R936 VanDerWaalsContact NH1-O 3.09Å; R860-S937 PolarHBondContact NH1-O 2.97Å; R860-S937 PolarHBondContact NH2-O 3.22Å; R860-S937 VanDerWaalsContact NH2-O 3.15Å; R860-N938 PolarHBondContact NH2-OD1 3.07Å; R860-N938 VanDerWaalsContact NH2-OD1 3.16Å
861	N	97.4	Very high	94.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.			trans	-102.6	154.5	169.1	-55.9	-80.5	0	0	0	110.8	L821 I822 Y823 N824 F826 I858 F859 L863 N888 Y889	L821-N861 PolarHBondContact O-ND2 2.85Å; I822-N861 VanDerWaalsContact C-OD1 3.3Å; I822-N861 WeakPolarHBondContact CA-OD1 3.26Å; I822-N861 PolarHBondContact N-OD1 2.96Å; Y823-N861 PolarHBondContact N-OD1 3.01Å; N824-N861 WeakPolarHBondContact CB-OD1 3.19Å; N824-N861 PolarHBondContact N-OD1 3.23Å; N824-N861 PolarHBondContact ND2-OD1 3.13Å; N824-N861 VanDerWaalsContact ND2-OD1 3.08Å; N824-N861 CarbonylContact O-C 3.41Å; N824-N861 WeakPolarHBondContact O-CA 3.34Å; N824-N861 WeakPolarHBondContact O-CB 3.2Å; F826-N861 HydrophobicContact CE2-CB 4.43Å; I858-N861 WeakPolarHBondContact CG2-ND2 3.44Å; F859-N861 VanDerWaalsContact C-N 3.29Å; F859-N861 PolarHBondContact N-ND2 3Å; F859-N861 PolarHBondContact O-N 3.03Å; F859-N861 PolarHBondContact O-ND2 3.16Å; F859-N861 VanDerWaalsContact O-ND2 3.15Å; N861-L863 HydrophobicContact CB-CD2 4.42Å; N861-L863 HydrophobicContact CB-CG 4.45Å; N861-N888 WeakPolarHBondContact CB-OD1 3.37Å; N861-N888 PolarHBondContact N-OD1 3.14Å; N861-N888 PolarHBondContact ND2-OD1 3.13Å; N861-N888 VanDerWaalsContact ND2-OD1 3.13Å; N861-N888 WeakPolarHBondContact O-CA 3.27Å; N861-Y889 PolarHBondContact O-N 3.2Å
862	H	97	Very high	94.2	Very high	27.25 Å²	27.25	26.1 Å²	26.1	13%	0.126	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	110.6	170.3	-177.7	168.6	0	0	0	108.5	N824 K825 F826 W864 Y889 L933 L935	N824-H862 PolarHBondContact O-N 2.92Å; K825-H862 HydrophobicContact CB-CB 4.44Å; K825-H862 HydrophobicContact CG-CB 4.19Å; F826-H862 PolarHBondContact N-O 2.93Å; H862-W864 WeakPolarHBondContact NE2-CB 3.39Å; H862-Y889 AromaticContact CD2-CD1 3.58Å; H862-Y889 VanDerWaalsContact CD2-CD1 3.5Å; H862-Y889 WeakPolarHBondContact CD2-CD1 3.18Å; H862-Y889 AromaticContact CD2-CE1 3.97Å; H862-Y889 AromaticContact CE1-CE1 3.99Å; H862-Y889 AromaticContact CG-CD1 3.91Å; H862-Y889 AromaticContact NE2-CD1 3.78Å; H862-Y889 AromaticContact NE2-CE1 3.79Å; H862-L933 WeakPolarHBondContact CE1-CD2 3.35Å; H862-L935 HydrophobicContact CB-CD1 4.35Å; H862-L935 HydrophobicContact CB-CD2 4.18Å
863	L	96.2	Very high	94.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	104.5	179.2	-59.2	178.2	0	0	0	108.6	F826 I849 N861 E871 L872 N888 Y889 W890	F826-L863 HydrophobicContact CB-CD2 4.12Å; F826-L863 HydrophobicContact CD2-CD2 3.5Å; F826-L863 VanDerWaalsContact CD2-CD2 3.49Å; F826-L863 HydrophobicContact CE2-CD2 4.16Å; F826-L863 HydrophobicContact CG-CD2 4Å; I849-L863 HydrophobicContact CD1-CD2 3.67Å; N861-L863 HydrophobicContact CB-CD2 4.42Å; N861-L863 HydrophobicContact CB-CG 4.45Å; L863-E871 WeakPolarHBondContact CB-OE2 3.28Å; L863-L872 HydrophobicContact CD1-CD2 4.34Å; L863-L872 HydrophobicContact CD1-CG 4.48Å; L863-N888 HydrophobicContact CD1-CB 3.95Å; L863-N888 HydrophobicContact CG-CB 4.39Å; L863-Y889 PolarHBondContact N-O 2.83Å; L863-W890 HydrophobicContact CB-CD2 4.21Å; L863-W890 HydrophobicContact CB-CE3 4.27Å; L863-W890 HydrophobicContact CD1-CD2 4.18Å; L863-W890 HydrophobicContact CD1-CE3 4.46Å; L863-W890 HydrophobicContact CD1-CH2 3.94Å; L863-W890 HydrophobicContact CD1-CZ2 3.51Å; L863-W890 VanDerWaalsContact CD1-CZ2 3.43Å; L863-W890 HydrophobicContact CD1-CZ3 4.41Å; L863-W890 CarbonylContact O-C 3.51Å; L863-W890 VanDerWaalsContact O-CA 3.31Å; L863-W890 WeakPolarHBondContact O-CA 3.41Å
864	W	94.3	Very high	94.6	Very high	52.75 Å²	52.75	25.5 Å²	25.5	20%	0.2	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	83.6	178.2	-176.8	-105.7	0	0	0	110.5	F826 L827 N828 H862 P866 D895 W896	F826-W864 CarbonylContact O-C 3.46Å; F826-W864 PolarHBondContact O-N 2.92Å; L827-W864 WeakPolarHBondContact CA-O 3.37Å; L827-W864 HydrophobicContact CD2-CB 4.15Å; N828-W864 PolarHBondContact N-O 3.04Å; H862-W864 WeakPolarHBondContact NE2-CB 3.39Å; W864-P866 VanDerWaalsContact C-CD 3.45Å; W864-P866 HydrophobicContact CZ2-CB 4.42Å; W864-P866 HydrophobicContact CZ2-CG 4.32Å; W864-P866 WeakPolarHBondContact O-CD 3.26Å; W864-D895 HydrophobicContact CE3-CB 4.5Å; W864-D895 HydrophobicContact CH2-CB 3.56Å; W864-D895 VanDerWaalsContact CH2-CB 3.42Å; W864-D895 HydrophobicContact CZ2-CB 4.2Å; W864-D895 HydrophobicContact CZ3-CB 3.76Å; W864-W896 HydrophobicContact CE3-CZ2 4.4Å; W864-W896 HydrophobicContact CH2-CD2 4.37Å; W864-W896 HydrophobicContact CH2-CH2 4.44Å; W864-W896 HydrophobicContact CH2-CZ2 4.3Å; W864-W896 HydrophobicContact CZ3-CD2 4.27Å; W864-W896 AromaticContact CZ3-CE2 3.68Å; W864-W896 HydrophobicContact CZ3-CH2 4.26Å; W864-W896 AromaticContact CZ3-CZ2 3.72Å; W864-W896 HydrophobicContact CZ3-CZ2 3.72Å; W864-W896 AromaticContact CZ3-NE1 3.81Å
865	N	94.9	Very high	94.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.116	C	C	.	.			trans	-127.8	69.8	-176.9	-54.6	-78.4	0	0	0	110.2	F826 N828 N829 V848 Y867 S868 E871 K911	F826-N865 WeakPolarHBondContact CB-ND2 3.38Å; F826-N865 PolarHBondContact O-ND2 3.06Å; F826-N865 VanDerWaalsContact O-ND2 3.16Å; F826-N865 PolarHBondContact O-OD1 3.11Å; N828-N865 PolarHBondContact N-OD1 2.97Å; N829-N865 VanDerWaalsContact CB-OD1 3.27Å; N829-N865 WeakPolarHBondContact CB-OD1 3.36Å; N829-N865 PolarHBondContact N-OD1 2.95Å; N829-N865 PolarHBondContact ND2-OD1 3.06Å; V848-N865 HydrophobicContact CG2-CB 3.95Å; N865-Y867 VanDerWaalsContact C-N 3.25Å; N865-Y867 PolarHBondContact O-N 3.08Å; N865-Y867 VanDerWaalsContact O-N 3.17Å; N865-S868 WeakPolarHBondContact O-CB 3.42Å; N865-S868 PolarHBondContact O-N 3.14Å; N865-S868 VanDerWaalsContact O-N 3.11Å; N865-E871 HydrophobicContact CB-CG 4.19Å; N865-E871 WeakPolarHBondContact CB-OE2 3.47Å; N865-E871 PolarHBondContact N-OE1 3.01Å; N865-E871 VanDerWaalsContact N-OE1 3.17Å; N865-E871 PolarHBondContact N-OE2 2.8Å; N865-E871 PolarHBondContact ND2-OE2 2.94Å; N865-K911 PolarHBondContact O-NZ 3.2Å
866	P	90.1	Very high	94.4	Very high	44 Å²	44	24.4 Å²	24.4	29%	0.286	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.6	-171.2	22	-33.4	0	0	0	113.3	W864 K911	W864-P866 VanDerWaalsContact C-CD 3.45Å; W864-P866 HydrophobicContact CZ2-CB 4.42Å; W864-P866 HydrophobicContact CZ2-CG 4.32Å; W864-P866 WeakPolarHBondContact O-CD 3.26Å; P866-K911 PolarHBondContact O-NZ 2.99Å
867	Y	90.6	Very high	93.8	Very high	135.5 Å²	135.5	26.8 Å²	26.8	53%	0.531	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.3	-179.6	-56.6	-68.8	0	0	0	114.9	Q832 N865	Q832-Y867 WeakPolarHBondContact CG-O 3.48Å; Q832-Y867 PolarHBondContact NE2-O 3.07Å; N865-Y867 VanDerWaalsContact C-N 3.25Å; N865-Y867 PolarHBondContact O-N 3.08Å; N865-Y867 VanDerWaalsContact O-N 3.17Å
868	S	93.9	Very high	93	Very high	1.75 Å²	1.75	25.7 Å²	25.7	1%	0.012	13%	0.127	C	C	.	.			trans	-86.8	138.8	171.2	-67.5	0	0	0	0	110.2	N829 R830 V831 V848 N865 K911	N829-S868 VanDerWaalsContact C-OG 3.3Å; N829-S868 PolarHBondContact O-OG 2.96Å; R830-S868 WeakPolarHBondContact CA-OG 3.38Å; V831-S868 PolarHBondContact N-OG 2.94Å; V831-S868 CarbonylContact O-C 3.58Å; V831-S868 VanDerWaalsContact O-CA 3.27Å; V831-S868 WeakPolarHBondContact O-CA 3.23Å; V831-S868 WeakPolarHBondContact O-CB 3.17Å; V848-S868 WeakPolarHBondContact CG2-OG 3.2Å; N865-S868 WeakPolarHBondContact O-CB 3.42Å; N865-S868 PolarHBondContact O-N 3.14Å; N865-S868 VanDerWaalsContact O-N 3.11Å; S868-K911 PolarHBondContact O-NZ 3.04Å
869	D	91.5	Very high	92.3	Very high	69.25 Å²	69.25	27.6 Å²	27.6	37%	0.37	14%	0.139	S	C	.	.	S	Bend	trans	-69.2	-44.7	179.4	-64.8	-32.7	0	0	0	110.9	V831 Q832 I833 K911	V831-D869 PolarHBondContact O-N 2.95Å; V831-D869 VanDerWaalsContact O-N 3.09Å; Q832-D869 WeakPolarHBondContact CA-OD2 3.19Å; I833-D869 HydrophobicContact CD1-CB 4.22Å; I833-D869 HydrophobicContact CG1-CB 4.26Å; I833-D869 PolarHBondContact N-OD2 2.9Å; D869-K911 WeakPolarHBondContact O-CD 3.41Å
870	I	94.3	Very high	91.4	Very high	12.25 Å²	12.25	30.5 Å²	30.5	6%	0.063	16%	0.156	C	C	.	.			trans	-128.1	134.3	-179.9	-55.8	-64	0	0	0	109.1	I833 A847 V848 L872 A873 N910 K911 F913	I833-I870 HydrophobicContact CD1-CG1 4.2Å; A847-I870 WeakPolarHBondContact CA-O 3.26Å; A847-I870 HydrophobicContact CB-CB 4.06Å; A847-I870 HydrophobicContact CB-CG2 3.61Å; V848-I870 PolarHBondContact N-O 3.18Å; I870-L872 VanDerWaalsContact CG2-O 3.23Å; I870-L872 WeakPolarHBondContact CG2-O 3.39Å; I870-A873 HydrophobicContact CG2-CB 4.32Å; I870-N910 WeakPolarHBondContact CD1-O 3.13Å; I870-K911 WeakPolarHBondContact CG2-O 3.18Å; I870-F913 HydrophobicContact CD1-CB 4.27Å; I870-F913 HydrophobicContact CG1-CB 4.38Å; I870-F913 HydrophobicContact CG2-CB 3.83Å
871	E	95.6	Very high	90.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.166	C	C	.	.	S	Bend	trans	-98.8	-35.6	174.6	-61.4	-156.7	-142.7	0	0	112.6	V848 I849 L863 N865 W890 K911	V848-E871 HydrophobicContact CB-CB 4.44Å; V848-E871 WeakPolarHBondContact CB-O 3.4Å; V848-E871 HydrophobicContact CG2-CB 4.38Å; V848-E871 HydrophobicContact CG2-CG 4.31Å; V848-E871 PolarHBondContact N-O 2.91Å; I849-E871 PolarHBondContact N-O 3.05Å; L863-E871 WeakPolarHBondContact CB-OE2 3.28Å; N865-E871 HydrophobicContact CB-CG 4.19Å; N865-E871 WeakPolarHBondContact CB-OE2 3.47Å; N865-E871 PolarHBondContact N-OE1 3.01Å; N865-E871 VanDerWaalsContact N-OE1 3.17Å; N865-E871 PolarHBondContact N-OE2 2.8Å; N865-E871 PolarHBondContact ND2-OE2 2.94Å; E871-W890 HydrophobicContact CB-CH2 4Å; E871-W890 HydrophobicContact CB-CZ3 3.61Å; E871-W890 HydrophobicContact CG-CZ3 4.04Å; E871-K911 HydrophobicContact CG-CB 4.35Å; E871-K911 HydrophobicContact CG-CD 4.23Å; E871-K911 PolarHBondContact N-O 2.98Å; E871-K911 WeakPolarHBondContact OE1-CD 3.32Å; E871-K911 IonicContact OE1-NZ 2.8Å; E871-K911 PolarHBondContact OE1-NZ 3.14Å
872	L	96.5	Very high	90.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.9	175	-62	178	0	0	0	110.7	I849 I851 I858 L863 I870 A885 W890 K911 I912 F913 I924	I849-L872 HydrophobicContact CB-CD2 3.69Å; I849-L872 HydrophobicContact CD1-CD2 3.83Å; I849-L872 HydrophobicContact CG1-CD2 4.17Å; I849-L872 HydrophobicContact CG2-CD2 4.16Å; I849-L872 WeakPolarHBondContact O-CA 3.4Å; I851-L872 HydrophobicContact CD1-CD2 4.17Å; I858-L872 HydrophobicContact CD1-CD2 4.37Å; L863-L872 HydrophobicContact CD1-CD2 4.34Å; L863-L872 HydrophobicContact CD1-CG 4.48Å; I870-L872 VanDerWaalsContact CG2-O 3.23Å; I870-L872 WeakPolarHBondContact CG2-O 3.39Å; L872-A885 HydrophobicContact CD1-CB 3.74Å; L872-W890 HydrophobicContact CB-CH2 4.48Å; L872-W890 HydrophobicContact CD1-CH2 3.76Å; L872-W890 HydrophobicContact CD1-CZ2 3.57Å; L872-W890 VanDerWaalsContact CD1-CZ2 3.5Å; L872-W890 HydrophobicContact CG-CH2 3.79Å; L872-W890 HydrophobicContact CG-CZ2 4.08Å; L872-K911 PolarHBondContact N-O 3.04Å; L872-I912 HydrophobicContact CB-CG1 4.32Å; L872-I912 HydrophobicContact CD1-CG1 4.45Å; L872-I912 CarbonylContact O-C 3.52Å; L872-I912 WeakPolarHBondContact O-CA 3.34Å; L872-F913 PolarHBondContact O-N 3.03Å; L872-I924 HydrophobicContact CB-CD1 4.21Å; L872-I924 HydrophobicContact CD1-CG2 4.27Å
873	A	95.4	Very high	90.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.2	171.1	0	0	0	0	0	112.3	C845 A847 I849 V850 I851 I870 F913	C845-A873 HydrophobicContact CB-CB 4.1Å; A847-A873 HydrophobicContact CB-CB 3.46Å; A847-A873 VanDerWaalsContact CB-CB 3.46Å; I849-A873 PolarHBondContact O-N 2.99Å; V850-A873 HydrophobicContact CG2-CB 4.49Å; I851-A873 PolarHBondContact N-O 3.2Å; I870-A873 HydrophobicContact CG2-CB 4.32Å; A873-F913 CarbonylContact C-O 3.54Å; A873-F913 WeakPolarHBondContact CA-O 3.35Å; A873-F913 HydrophobicContact CB-CB 4.12Å; A873-F913 HydrophobicContact CB-CD1 4.48Å
874	S	94.5	Very high	90.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.4	167.6	-176.4	0	0	0	0	108.8	I883 F913 L921 A922	S874-I883 WeakPolarHBondContact OG-CD1 3.38Å; S874-F913 PolarHBondContact N-O 3.07Å; S874-L921 WeakPolarHBondContact O-CD1 3.43Å; S874-L921 WeakPolarHBondContact O-CD2 3.25Å; S874-A922 WeakPolarHBondContact CB-O 3.4Å; S874-A922 PolarHBondContact OG-O 3.13Å; S874-A922 VanDerWaalsContact OG-O 3.1Å
875	H	91.7	Very high	90.4	Very high	19.5 Å²	19.5	37 Å²	37	9%	0.09	19%	0.192	C	C	.	.			trans	-108.2	2.5	167.6	-73.2	-155.4	0	0	0	111	Y807 S843 T844 C845 V850 I851 S877	Y807-H875 AromaticContact CE2-ND1 3.73Å; S843-H875 WeakPolarHBondContact O-CA 3.2Å; S843-H875 PolarHBondContact O-CD2 3.03Å; S843-H875 VanDerWaalsContact O-CD2 3.25Å; S843-H875 VanDerWaalsContact O-CG 3.29Å; T844-H875 VanDerWaalsContact CA-CE1 3.47Å; T844-H875 WeakPolarHBondContact CA-CE1 3.3Å; C845-H875 PolarHBondContact N-NE2 3.27Å; C845-H875 VanDerWaalsContact N-NE2 3.17Å; C845-H875 PolarHBondContact O-NE2 2.99Å; V850-H875 HydrophobicContact CG1-CB 4.17Å; V850-H875 VanDerWaalsContact CG1-CD2 3.44Å; V850-H875 WeakPolarHBondContact CG1-CD2 3.34Å; V850-H875 WeakPolarHBondContact CG1-CE1 3.3Å; V850-H875 VanDerWaalsContact CG1-CG 3.42Å; V850-H875 VanDerWaalsContact CG1-ND1 3.34Å; V850-H875 WeakPolarHBondContact CG1-ND1 3.27Å; V850-H875 VanDerWaalsContact CG1-NE2 3.32Å; V850-H875 WeakPolarHBondContact CG1-NE2 3.34Å; I851-H875 PolarHBondContact O-N 3.11Å; H875-S877 PolarHBondContact O-N 3.08Å
876	L	88.7	Confident	90.4	Very high	10.75 Å²	10.75	38.3 Å²	38.3	6%	0.056	20%	0.2	C	C	.	.			trans	-74.9	108	174.9	176	59	0	0	0	110.2	E812 I851 G852 S878 K881 I883 L921 A922	E812-L876 HydrophobicContact CB-CD1 4.33Å; E812-L876 HydrophobicContact CG-CD1 4.13Å; E812-L876 WeakPolarHBondContact OE2-CD2 3.31Å; I851-L876 PolarHBondContact O-N 3.19Å; G852-L876 WeakPolarHBondContact O-CB 3.35Å; G852-L876 WeakPolarHBondContact O-CD1 3.38Å; L876-S878 PolarHBondContact O-N 3.04Å; L876-K881 HydrophobicContact CD2-CB 3.88Å; L876-K881 HydrophobicContact CD2-CG 4.37Å; L876-I883 HydrophobicContact CB-CD1 4.34Å; L876-I883 HydrophobicContact CD2-CD1 4.5Å; L876-I883 HydrophobicContact CD2-CG1 4.44Å; L876-L921 CarbonylContact O-C 3.5Å; L876-L921 WeakPolarHBondContact O-CA 3.36Å; L876-A922 HydrophobicContact CB-CB 3.99Å; L876-A922 HydrophobicContact CD2-CB 3.63Å; L876-A922 HydrophobicContact CG-CB 3.85Å; L876-A922 PolarHBondContact O-N 3.09Å
877	S	82.9	Confident	90.6	Very high	52.25 Å²	52.25	38.1 Å²	38.1	37%	0.365	20%	0.196	S	C	.	.			trans	-79.6	60.2	176.3	-78.1	0	0	0	0	112.2	H875 T920 R1236	H875-S877 PolarHBondContact O-N 3.08Å; S877-T920 CarbonylContact C-O 3.53Å; S877-T920 VanDerWaalsContact C-O 3.25Å; S877-T920 VanDerWaalsContact CA-O 3.29Å; S877-T920 WeakPolarHBondContact CA-O 3.32Å; S877-R1236 PolarHBondContact OG-NH1 2.87Å
878	S	79.5	Confident	90.8	Very high	29.75 Å²	29.75	31.7 Å²	31.7	21%	0.208	17%	0.171	C	C	.	.			trans	-141.8	97	178.9	-57.4	0	0	0	0	110.8	L876 D880 K881 T920 A922	L876-S878 PolarHBondContact O-N 3.04Å; S878-D880 VanDerWaalsContact C-N 3.26Å; S878-D880 PolarHBondContact O-N 3.2Å; S878-K881 WeakPolarHBondContact O-CB 3.37Å; S878-K881 PolarHBondContact O-N 3.11Å; S878-K881 VanDerWaalsContact O-N 3.14Å; S878-T920 PolarHBondContact N-O 3.12Å; S878-T920 VanDerWaalsContact N-O 3.13Å; S878-A922 VanDerWaalsContact O-CA 3.3Å; S878-A922 WeakPolarHBondContact O-CA 3.34Å; S878-A922 WeakPolarHBondContact O-CB 3.38Å
879	P	80.3	Confident	90.9	Very high	38.75 Å²	38.75	31.7 Å²	31.7	25%	0.252	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.4	-172.5	28.6	-35.7	0	0	0	114.4	K881 Q915 Y919 A1330	P879-K881 VanDerWaalsContact C-N 3.31Å; P879-Q915 VanDerWaalsContact CB-NE2 3.31Å; P879-Q915 PolarHBondContact O-NE2 3.07Å; P879-Y919 WeakPolarHBondContact CB-O 3.31Å; P879-A1330 HydrophobicContact CG-CB 4.12Å
880	D	77.4	Confident	91	Very high	108.75 Å²	108.75	28.5 Å²	28.5	58%	0.582	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.5	174.2	67.4	-57.9	0	0	0	112.9	S878	S878-D880 VanDerWaalsContact C-N 3.26Å; S878-D880 PolarHBondContact O-N 3.2Å
881	K	84.4	Confident	90.8	Very high	77.75 Å²	77.75	27.9 Å²	27.9	34%	0.338	15%	0.151	S	C	.	.			trans	-96.8	157	-176.9	-58	-58.4	-176.8	-148.6	0	112.4	E812 L876 S878 P879 A922 K923	E812-K881 HydrophobicContact CG-CG 4.44Å; E812-K881 WeakPolarHBondContact OE1-CD 3.29Å; E812-K881 WeakPolarHBondContact OE1-CG 3.45Å; L876-K881 HydrophobicContact CD2-CB 3.88Å; L876-K881 HydrophobicContact CD2-CG 4.37Å; S878-K881 WeakPolarHBondContact O-CB 3.37Å; S878-K881 PolarHBondContact O-N 3.11Å; S878-K881 VanDerWaalsContact O-N 3.14Å; P879-K881 VanDerWaalsContact C-N 3.31Å; K881-A922 HydrophobicContact CB-CB 4.16Å; K881-A922 WeakPolarHBondContact O-CB 3.4Å; K881-K923 PolarHBondContact O-N 3.29Å
882	Q	91	Very high	90.4	Very high	110.5 Å²	110.5	29.7 Å²	29.7	52%	0.516	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.6	177.2	-59	-175.7	0.2	0	0	109.8	K923 N925	Q882-K923 CarbonylContact C-O 3.44Å; Q882-K923 VanDerWaalsContact CA-O 3.3Å; Q882-K923 WeakPolarHBondContact CA-O 3.37Å; Q882-K923 HydrophobicContact CG-CB 4.4Å; Q882-N925 PolarHBondContact OE1-ND2 3.25Å
883	I	94.2	Very high	90.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.2	177.5	-63.9	163.4	0	0	0	108.2	I851 I858 S874 L876 A885 A922 K923 I924 N925	I851-I883 HydrophobicContact CB-CD1 4.13Å; I851-I883 HydrophobicContact CB-CG2 4.45Å; I851-I883 HydrophobicContact CD1-CG2 4.11Å; I851-I883 HydrophobicContact CG1-CG2 4.42Å; I851-I883 HydrophobicContact CG2-CD1 3.82Å; I851-I883 HydrophobicContact CG2-CG1 4.3Å; I851-I883 HydrophobicContact CG2-CG2 3.9Å; I858-I883 HydrophobicContact CD1-CG2 4.1Å; S874-I883 WeakPolarHBondContact OG-CD1 3.38Å; L876-I883 HydrophobicContact CB-CD1 4.34Å; L876-I883 HydrophobicContact CD2-CD1 4.5Å; L876-I883 HydrophobicContact CD2-CG1 4.44Å; I883-A885 PolarHBondContact O-N 2.87Å; I883-A922 HydrophobicContact CD1-CB 4.18Å; I883-A922 HydrophobicContact CG1-CB 4.35Å; I883-K923 PolarHBondContact N-O 3.22Å; I883-I924 HydrophobicContact CB-CG1 4.23Å; I883-I924 HydrophobicContact CD1-CG1 4.3Å; I883-N925 PolarHBondContact O-N 2.95Å
884	N	94.9	Very high	89.8	Confident	66 Å²	66	39.3 Å²	39.3	35%	0.353	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	110.2	178.8	-174.2	-7.7	0	0	0	110.8	I858 T886	I858-N884 PolarHBondContact N-O 3.09Å; I858-N884 VanDerWaalsContact N-O 3.08Å; N884-T886 WeakPolarHBondContact OD1-CB 3.37Å; N884-T886 VanDerWaalsContact OD1-CG2 3.3Å; N884-T886 WeakPolarHBondContact OD1-CG2 3.34Å; N884-T886 PolarHBondContact OD1-N 2.94Å; N884-T886 VanDerWaalsContact OD1-N 3.1Å; N884-T886 PolarHBondContact OD1-OG1 3.08Å
885	A	95.7	Very high	89.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.			trans	-122.4	30.8	176.2	0	0	0	0	0	112.2	I858 L872 I883 N888 I924 N925 Y926	I858-A885 CarbonylContact O-C 3.49Å; I858-A885 VanDerWaalsContact O-C 3.3Å; I858-A885 VanDerWaalsContact O-CA 3.22Å; I858-A885 WeakPolarHBondContact O-CA 3.3Å; L872-A885 HydrophobicContact CD1-CB 3.74Å; I883-A885 PolarHBondContact O-N 2.87Å; A885-N888 VanDerWaalsContact C-ND2 3.3Å; A885-N888 PolarHBondContact O-ND2 3.13Å; A885-I924 HydrophobicContact CB-CG2 3.56Å; A885-N925 CarbonylContact C-O 3.58Å; A885-N925 VanDerWaalsContact C-O 3.26Å; A885-N925 WeakPolarHBondContact CA-O 3.32Å; A885-N925 PolarHBondContact N-O 3.04Å; A885-Y926 WeakPolarHBondContact O-CA 3.49Å
886	T	94.5	Very high	89.4	Confident	26.5 Å²	26.5	43.9 Å²	43.9	16%	0.163	23%	0.228	C	C	.	.			trans	-78.1	162.2	-174.7	60.2	0	0	0	0	113	F859 N884 N888 N925 H927	F859-T886 VanDerWaalsContact CA-O 3.28Å; F859-T886 WeakPolarHBondContact CA-O 3.37Å; F859-T886 VanDerWaalsContact CB-O 3.26Å; F859-T886 WeakPolarHBondContact CB-O 3.19Å; N884-T886 WeakPolarHBondContact OD1-CB 3.37Å; N884-T886 VanDerWaalsContact OD1-CG2 3.3Å; N884-T886 WeakPolarHBondContact OD1-CG2 3.34Å; N884-T886 PolarHBondContact OD1-N 2.94Å; N884-T886 VanDerWaalsContact OD1-N 3.1Å; N884-T886 PolarHBondContact OD1-OG1 3.08Å; T886-N888 VanDerWaalsContact C-N 3.29Å; T886-N888 PolarHBondContact O-N 3.04Å; T886-N888 PolarHBondContact O-ND2 3Å; T886-N925 VanDerWaalsContact CG2-O 3.29Å; T886-N925 WeakPolarHBondContact CG2-O 3.36Å; T886-N925 PolarHBondContact N-O 3.2Å; T886-H927 VanDerWaalsContact CG2-O 3.29Å; T886-H927 WeakPolarHBondContact CG2-O 3.31Å
887	L	95.1	Very high	89.5	Confident	40.5 Å²	40.5	48.7 Å²	48.7	21%	0.212	26%	0.262	C	S	.	.	S	Bend	trans	59.5	33.3	174.2	-53.5	173.5	0	0	0	113.8	R860 P928 L930 I940	R860-L887 WeakPolarHBondContact CA-O 3.38Å; R860-L887 HydrophobicContact CG-CB 4.2Å; R860-L887 PolarHBondContact N-O 3.08Å; L887-P928 WeakPolarHBondContact CA-O 3.38Å; L887-P928 HydrophobicContact CD2-CG 4.08Å; L887-P928 PolarHBondContact N-O 2.93Å; L887-L930 HydrophobicContact CB-CG 4.46Å; L887-L930 WeakPolarHBondContact O-CD1 3.3Å; L887-L930 WeakPolarHBondContact O-CG 3.44Å; L887-I940 HydrophobicContact CD2-CB 4.48Å; L887-I940 HydrophobicContact CD2-CD1 4.46Å; L887-I940 HydrophobicContact CD2-CG2 3.65Å
888	N	95.7	Very high	89.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.			trans	-95.8	151.1	169.9	-64.3	-65.4	0	0	0	109.9	I858 F859 R860 N861 L863 A885 T886 W890 L930	I858-N888 PolarHBondContact O-ND2 2.94Å; I858-N888 VanDerWaalsContact O-ND2 3.17Å; F859-N888 VanDerWaalsContact C-OD1 3.28Å; F859-N888 WeakPolarHBondContact CA-OD1 3.38Å; R860-N888 PolarHBondContact N-OD1 3.05Å; R860-N888 VanDerWaalsContact N-OD1 3.15Å; N861-N888 WeakPolarHBondContact CB-OD1 3.37Å; N861-N888 PolarHBondContact N-OD1 3.14Å; N861-N888 PolarHBondContact ND2-OD1 3.13Å; N861-N888 VanDerWaalsContact ND2-OD1 3.13Å; N861-N888 WeakPolarHBondContact O-CA 3.27Å; L863-N888 HydrophobicContact CD1-CB 3.95Å; L863-N888 HydrophobicContact CG-CB 4.39Å; A885-N888 VanDerWaalsContact C-ND2 3.3Å; A885-N888 PolarHBondContact O-ND2 3.13Å; T886-N888 VanDerWaalsContact C-N 3.29Å; T886-N888 PolarHBondContact O-N 3.04Å; T886-N888 PolarHBondContact O-ND2 3Å; N888-W890 VanDerWaalsContact O-CD1 3.26Å; N888-L930 PolarHBondContact O-N 3.03Å
889	Y	95.7	Very high	90.3	Very high	1.25 Å²	1.25	53.5 Å²	53.5	1%	0.005	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-95	128.3	175	177.9	-96.2	0	0	0	109.4	N861 H862 L863 G891 N892 D895 L930 D932 L933	N861-Y889 PolarHBondContact O-N 3.2Å; H862-Y889 AromaticContact CD2-CD1 3.58Å; H862-Y889 VanDerWaalsContact CD2-CD1 3.5Å; H862-Y889 WeakPolarHBondContact CD2-CD1 3.18Å; H862-Y889 AromaticContact CD2-CE1 3.97Å; H862-Y889 AromaticContact CE1-CE1 3.99Å; H862-Y889 AromaticContact CG-CD1 3.91Å; H862-Y889 AromaticContact NE2-CD1 3.78Å; H862-Y889 AromaticContact NE2-CE1 3.79Å; L863-Y889 PolarHBondContact N-O 2.83Å; Y889-G891 VanDerWaalsContact CE1-CA 3.44Å; Y889-G891 VanDerWaalsContact CE1-N 3.29Å; Y889-N892 HydrophobicContact CE2-CB 4.33Å; Y889-N892 WeakPolarHBondContact OH-CB 3.47Å; Y889-N892 PolarHBondContact OH-N 3Å; Y889-N892 VanDerWaalsContact OH-N 3.09Å; Y889-N892 PolarHBondContact OH-ND2 3.13Å; Y889-D895 PolarHBondContact OH-OD2 2.89Å; Y889-L930 HydrophobicContact CD2-CB 4.41Å; Y889-L930 WeakPolarHBondContact CD2-O 3.35Å; Y889-D932 VanDerWaalsContact CD2-C 3.44Å; Y889-D932 VanDerWaalsContact CD2-O 3.28Å; Y889-D932 WeakPolarHBondContact CD2-O 3.37Å; Y889-D932 VanDerWaalsContact CE2-C 3.43Å; Y889-L933 HydrophobicContact CD1-CD2 3.93Å; Y889-L933 HydrophobicContact CE1-CD2 3.38Å; Y889-L933 VanDerWaalsContact CE1-CD2 3.46Å; Y889-L933 HydrophobicContact CE1-CG 4.03Å; Y889-L933 HydrophobicContact CE2-CD2 4.45Å; Y889-L933 HydrophobicContact CE2-CG 4.36Å
890	W	93.8	Very high	90.8	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.008	29%	0.289	C	S	.	.			trans	-121.4	19.3	-172.9	-67.4	78.9	0	0	0	113.3	L863 E871 L872 N888 W896 V908 K911 I912 L929	L863-W890 HydrophobicContact CB-CD2 4.21Å; L863-W890 HydrophobicContact CB-CE3 4.27Å; L863-W890 HydrophobicContact CD1-CD2 4.18Å; L863-W890 HydrophobicContact CD1-CE3 4.46Å; L863-W890 HydrophobicContact CD1-CH2 3.94Å; L863-W890 HydrophobicContact CD1-CZ2 3.51Å; L863-W890 VanDerWaalsContact CD1-CZ2 3.43Å; L863-W890 HydrophobicContact CD1-CZ3 4.41Å; L863-W890 CarbonylContact O-C 3.51Å; L863-W890 VanDerWaalsContact O-CA 3.31Å; L863-W890 WeakPolarHBondContact O-CA 3.41Å; E871-W890 HydrophobicContact CB-CH2 4Å; E871-W890 HydrophobicContact CB-CZ3 3.61Å; E871-W890 HydrophobicContact CG-CZ3 4.04Å; L872-W890 HydrophobicContact CB-CH2 4.48Å; L872-W890 HydrophobicContact CD1-CH2 3.76Å; L872-W890 HydrophobicContact CD1-CZ2 3.57Å; L872-W890 VanDerWaalsContact CD1-CZ2 3.5Å; L872-W890 HydrophobicContact CG-CH2 3.79Å; L872-W890 HydrophobicContact CG-CZ2 4.08Å; N888-W890 VanDerWaalsContact O-CD1 3.26Å; W890-W896 PolarHBondContact O-NE1 3.03Å; W890-V908 HydrophobicContact CB-CG2 3.67Å; W890-V908 HydrophobicContact CD2-CB 4.48Å; W890-V908 HydrophobicContact CD2-CG1 3.84Å; W890-V908 HydrophobicContact CD2-CG2 3.97Å; W890-V908 HydrophobicContact CE3-CB 4.49Å; W890-V908 HydrophobicContact CE3-CG1 4.06Å; W890-V908 HydrophobicContact CE3-CG2 4.12Å; W890-V908 HydrophobicContact CG-CG1 4.27Å; W890-V908 HydrophobicContact CG-CG2 3.82Å; W890-V908 HydrophobicContact CH2-CG1 4.25Å; W890-V908 HydrophobicContact CZ2-CG1 4.08Å; W890-V908 HydrophobicContact CZ3-CG1 4.24Å; W890-K911 HydrophobicContact CZ3-CB 4.07Å; W890-I912 HydrophobicContact CH2-CD1 4.33Å; W890-I912 HydrophobicContact CH2-CG1 4.03Å; W890-I912 HydrophobicContact CZ2-CD1 4.42Å; W890-L929 VanDerWaalsContact CD1-CD2 3.43Å; W890-L929 HydrophobicContact CG-CD2 4.3Å
891	G	90	Very high	91.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.01	27%	0.267	C	S	.	.			trans	91.7	151.9	-164.9	0	0	0	0	0	112.6	Y889 D895	Y889-G891 VanDerWaalsContact CE1-CA 3.44Å; Y889-G891 VanDerWaalsContact CE1-N 3.29Å; G891-D895 VanDerWaalsContact CA-OD2 3.29Å; G891-D895 WeakPolarHBondContact CA-OD2 3.31Å
892	N	87.4	Confident	91.6	Very high	39 Å²	39	50.7 Å²	50.7	21%	0.209	27%	0.271	C	S	.	.			trans	-95.3	-177.8	177.1	66.6	50.6	0	0	0	111.4	Y889 Q894 D895 W896	Y889-N892 HydrophobicContact CE2-CB 4.33Å; Y889-N892 WeakPolarHBondContact OH-CB 3.47Å; Y889-N892 PolarHBondContact OH-N 3Å; Y889-N892 VanDerWaalsContact OH-N 3.09Å; Y889-N892 PolarHBondContact OH-ND2 3.13Å; N892-Q894 VanDerWaalsContact C-N 3.3Å; N892-Q894 PolarHBondContact O-N 3.15Å; N892-Q894 WeakPolarHBondContact OD1-CA 3.35Å; N892-Q894 VanDerWaalsContact OD1-CB 3.26Å; N892-Q894 WeakPolarHBondContact OD1-CB 3.37Å; N892-Q894 PolarHBondContact OD1-N 3.02Å; N892-D895 VanDerWaalsContact CG-CG 3.47Å; N892-D895 PolarHBondContact N-OD2 3.02Å; N892-D895 PolarHBondContact ND2-OD1 2.76Å; N892-D895 PolarHBondContact ND2-OD2 3.04Å; N892-D895 VanDerWaalsContact ND2-OD2 3.12Å; N892-D895 WeakPolarHBondContact O-CB 3.47Å; N892-D895 PolarHBondContact O-N 2.77Å; N892-D895 VanDerWaalsContact OD1-CG 3.31Å; N892-D895 PolarHBondContact OD1-N 2.96Å; N892-D895 VanDerWaalsContact OD1-N 3.11Å; N892-D895 PolarHBondContact OD1-OD2 3.02Å; N892-W896 PolarHBondContact O-N 3Å; N892-W896 VanDerWaalsContact O-N 3.14Å
893	L	89.1	Confident	91.5	Very high	44.25 Å²	44.25	49 Å²	49	23%	0.232	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-41.5	177.7	-73.1	-179	0	0	0	113.4	W896 S897 T898 W901 V904	L893-W896 CarbonylContact O-C 3.53Å; L893-W896 PolarHBondContact O-N 3.1Å; L893-S897 PolarHBondContact O-N 3.06Å; L893-S897 VanDerWaalsContact O-N 3.07Å; L893-T898 CarbonylContact C-O 3.46Å; L893-T898 WeakPolarHBondContact CA-O 3.06Å; L893-T898 VanDerWaalsContact CB-O 3.29Å; L893-T898 WeakPolarHBondContact CB-O 3.39Å; L893-T898 HydrophobicContact CD2-CG2 4.08Å; L893-T898 PolarHBondContact O-N 3.13Å; L893-W901 HydrophobicContact CD2-CD2 4.1Å; L893-W901 HydrophobicContact CD2-CG 4.16Å; L893-W901 HydrophobicContact CG-CD2 4.35Å; L893-W901 HydrophobicContact CG-CZ2 4.04Å; L893-V904 HydrophobicContact CD2-CG2 3.93Å
894	Q	89	Confident	91.4	Very high	157.5 Å²	157.5	49 Å²	49	74%	0.736	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-42.4	177.7	-156.4	120.9	15.4	0	0	111.6	N892 W896 S897	N892-Q894 VanDerWaalsContact C-N 3.3Å; N892-Q894 PolarHBondContact O-N 3.15Å; N892-Q894 WeakPolarHBondContact OD1-CA 3.35Å; N892-Q894 VanDerWaalsContact OD1-CB 3.26Å; N892-Q894 WeakPolarHBondContact OD1-CB 3.37Å; N892-Q894 PolarHBondContact OD1-N 3.02Å; Q894-W896 VanDerWaalsContact C-N 3.26Å; Q894-W896 PolarHBondContact O-N 3Å; Q894-S897 PolarHBondContact O-N 3.14Å; Q894-S897 VanDerWaalsContact O-N 3.07Å
895	D	88.5	Confident	91.3	Very high	65.25 Å²	65.25	45.9 Å²	45.9	35%	0.349	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.4	179.3	-59.9	-27.1	0	0	0	111.2	W864 Y889 G891 N892	W864-D895 HydrophobicContact CE3-CB 4.5Å; W864-D895 HydrophobicContact CH2-CB 3.56Å; W864-D895 VanDerWaalsContact CH2-CB 3.42Å; W864-D895 HydrophobicContact CZ2-CB 4.2Å; W864-D895 HydrophobicContact CZ3-CB 3.76Å; Y889-D895 PolarHBondContact OH-OD2 2.89Å; G891-D895 VanDerWaalsContact CA-OD2 3.29Å; G891-D895 WeakPolarHBondContact CA-OD2 3.31Å; N892-D895 VanDerWaalsContact CG-CG 3.47Å; N892-D895 PolarHBondContact N-OD2 3.02Å; N892-D895 PolarHBondContact ND2-OD1 2.76Å; N892-D895 PolarHBondContact ND2-OD2 3.04Å; N892-D895 VanDerWaalsContact ND2-OD2 3.12Å; N892-D895 WeakPolarHBondContact O-CB 3.47Å; N892-D895 PolarHBondContact O-N 2.77Å; N892-D895 VanDerWaalsContact OD1-CG 3.31Å; N892-D895 PolarHBondContact OD1-N 2.96Å; N892-D895 VanDerWaalsContact OD1-N 3.11Å; N892-D895 PolarHBondContact OD1-OD2 3.02Å
896	W	88.6	Confident	91.1	Very high	50.75 Å²	50.75	50.6 Å²	50.6	19%	0.192	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-1.3	176.5	-71.3	110.9	0	0	0	114.7	W864 W890 N892 L893 Q894 T898 V904 I907 K911	W864-W896 HydrophobicContact CE3-CZ2 4.4Å; W864-W896 HydrophobicContact CH2-CD2 4.37Å; W864-W896 HydrophobicContact CH2-CH2 4.44Å; W864-W896 HydrophobicContact CH2-CZ2 4.3Å; W864-W896 HydrophobicContact CZ3-CD2 4.27Å; W864-W896 AromaticContact CZ3-CE2 3.68Å; W864-W896 HydrophobicContact CZ3-CH2 4.26Å; W864-W896 AromaticContact CZ3-CZ2 3.72Å; W864-W896 HydrophobicContact CZ3-CZ2 3.72Å; W864-W896 AromaticContact CZ3-NE1 3.81Å; W890-W896 PolarHBondContact O-NE1 3.03Å; N892-W896 PolarHBondContact O-N 3Å; N892-W896 VanDerWaalsContact O-N 3.14Å; L893-W896 CarbonylContact O-C 3.53Å; L893-W896 PolarHBondContact O-N 3.1Å; Q894-W896 VanDerWaalsContact C-N 3.26Å; Q894-W896 PolarHBondContact O-N 3Å; W896-T898 VanDerWaalsContact C-N 3.33Å; W896-T898 HydrophobicContact CB-CG2 4.03Å; W896-T898 VanDerWaalsContact O-CG2 3.26Å; W896-T898 WeakPolarHBondContact O-CG2 3.36Å; W896-T898 PolarHBondContact O-N 2.96Å; W896-V904 HydrophobicContact CB-CG2 4.48Å; W896-I907 HydrophobicContact CB-CD1 4.37Å; W896-I907 HydrophobicContact CD2-CD1 3.96Å; W896-I907 HydrophobicContact CD2-CG2 4.11Å; W896-I907 HydrophobicContact CE3-CD1 3.83Å; W896-I907 HydrophobicContact CE3-CG2 3.97Å; W896-I907 HydrophobicContact CG-CD1 4.21Å; W896-I907 HydrophobicContact CH2-CG2 3.57Å; W896-I907 HydrophobicContact CZ2-CG2 3.7Å; W896-I907 HydrophobicContact CZ3-CD1 4.44Å; W896-I907 HydrophobicContact CZ3-CG2 3.7Å; W896-K911 HydrophobicContact CH2-CD 4.43Å
897	S	90.9	Very high	91	Very high	111.5 Å²	111.5	51.2 Å²	51.2	78%	0.78	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	41.6	-175.5	-56	0	0	0	0	113.6	L893 Q894	L893-S897 PolarHBondContact O-N 3.06Å; L893-S897 VanDerWaalsContact O-N 3.07Å; Q894-S897 PolarHBondContact O-N 3.14Å; Q894-S897 VanDerWaalsContact O-N 3.07Å
898	T	90.6	Very high	90.9	Very high	19.5 Å²	19.5	49.3 Å²	49.3	12%	0.12	26%	0.26	C	S	.	.			trans	-131.4	157.2	179.4	100.8	0	0	0	0	110.9	L893 W896 D900 I903 V904	L893-T898 CarbonylContact C-O 3.46Å; L893-T898 WeakPolarHBondContact CA-O 3.06Å; L893-T898 VanDerWaalsContact CB-O 3.29Å; L893-T898 WeakPolarHBondContact CB-O 3.39Å; L893-T898 HydrophobicContact CD2-CG2 4.08Å; L893-T898 PolarHBondContact O-N 3.13Å; W896-T898 VanDerWaalsContact C-N 3.33Å; W896-T898 HydrophobicContact CB-CG2 4.03Å; W896-T898 VanDerWaalsContact O-CG2 3.26Å; W896-T898 WeakPolarHBondContact O-CG2 3.36Å; W896-T898 PolarHBondContact O-N 2.96Å; T898-D900 PolarHBondContact OG1-N 3.36Å; T898-D900 VanDerWaalsContact OG1-N 3.14Å; T898-D900 PolarHBondContact OG1-O 3.09Å; T898-D900 VanDerWaalsContact OG1-O 3.13Å; T898-I903 HydrophobicContact CG2-CB 4.32Å; T898-I903 HydrophobicContact CG2-CD1 4.36Å; T898-I903 HydrophobicContact CG2-CG2 3.94Å; T898-I903 WeakPolarHBondContact OG1-CD1 3.12Å; T898-V904 HydrophobicContact CG2-CG2 3.76Å
899	N	89.3	Confident	90.7	Very high	161.75 Å²	161.75	50.2 Å²	50.2	87%	0.865	27%	0.267	S	S	*	.	S	Bend	trans	-106.7	3.4	175.4	-66	-21.3	0	0	0	113.2
900	D	90.4	Very high	90.5	Very high	74.75 Å²	74.75	53.9 Å²	53.9	40%	0.4	29%	0.287	S	S	.	.			trans	-129.2	123	-172.9	-178.5	3.2	0	0	0	111.1	T898 S902 I903	T898-D900 PolarHBondContact OG1-N 3.36Å; T898-D900 VanDerWaalsContact OG1-N 3.14Å; T898-D900 PolarHBondContact OG1-O 3.09Å; T898-D900 VanDerWaalsContact OG1-O 3.13Å; D900-S902 VanDerWaalsContact C-N 3.26Å; D900-S902 PolarHBondContact O-N 2.8Å; D900-S902 VanDerWaalsContact OD1-CB 3.27Å; D900-S902 WeakPolarHBondContact OD1-CB 3.29Å; D900-S902 PolarHBondContact OD1-N 3.27Å; D900-S902 PolarHBondContact OD1-OG 3.11Å; D900-S902 WeakPolarHBondContact OD2-CB 3.41Å; D900-S902 PolarHBondContact OD2-OG 3.17Å; D900-I903 HydrophobicContact CB-CD1 4.12Å; D900-I903 HydrophobicContact CB-CG1 4.21Å; D900-I903 WeakPolarHBondContact O-CB 3.34Å; D900-I903 PolarHBondContact O-N 3.09Å; D900-I903 VanDerWaalsContact O-N 3.14Å
901	W	90.1	Very high	90.5	Very high	31 Å²	31	54.8 Å²	54.8	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-23.7	177.2	-77.4	102.3	0	0	0	112.9	L893 I903 V904 H905 K931 T941 E944	L893-W901 HydrophobicContact CD2-CD2 4.1Å; L893-W901 HydrophobicContact CD2-CG 4.16Å; L893-W901 HydrophobicContact CG-CD2 4.35Å; L893-W901 HydrophobicContact CG-CZ2 4.04Å; W901-I903 PolarHBondContact O-N 3.03Å; W901-V904 HydrophobicContact CE3-CB 3.96Å; W901-V904 HydrophobicContact CE3-CG1 4.04Å; W901-V904 HydrophobicContact CE3-CG2 4.11Å; W901-V904 HydrophobicContact CZ3-CB 4.38Å; W901-V904 HydrophobicContact CZ3-CG1 4Å; W901-V904 HydrophobicContact CZ3-CG2 4.45Å; W901-V904 WeakPolarHBondContact O-CA 3.34Å; W901-V904 WeakPolarHBondContact O-CB 3.28Å; W901-V904 PolarHBondContact O-N 3.16Å; W901-V904 VanDerWaalsContact O-N 3.14Å; W901-H905 WeakPolarHBondContact O-CB 3.26Å; W901-H905 PolarHBondContact O-CD2 2.83Å; W901-H905 VanDerWaalsContact O-CD2 3.27Å; W901-H905 PolarHBondContact O-N 3.02Å; W901-K931 HydrophobicContact CH2-CB 4.05Å; W901-K931 HydrophobicContact CH2-CD 4.48Å; W901-K931 HydrophobicContact CH2-CG 3.79Å; W901-K931 HydrophobicContact CZ2-CB 3.93Å; W901-K931 HydrophobicContact CZ2-CD 3.96Å; W901-K931 HydrophobicContact CZ2-CG 3.58Å; W901-K931 HydrophobicContact CZ3-CG 4.47Å; W901-T941 HydrophobicContact CD2-CG2 3.97Å; W901-T941 HydrophobicContact CE3-CG2 3.66Å; W901-T941 HydrophobicContact CG-CG2 4.43Å; W901-T941 HydrophobicContact CH2-CG2 4.49Å; W901-T941 HydrophobicContact CZ3-CG2 4Å; W901-E944 HydrophobicContact CB-CG 4.1Å; W901-E944 WeakPolarHBondContact CB-OE2 3.36Å; W901-E944 HydrophobicContact CG-CG 4.37Å
902	S	88.5	Confident	90.8	Very high	61 Å²	61	55 Å²	55	43%	0.427	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-35.9	174.4	69.7	0	0	0	0	111.7	D900 H905 K906	D900-S902 VanDerWaalsContact C-N 3.26Å; D900-S902 PolarHBondContact O-N 2.8Å; D900-S902 VanDerWaalsContact OD1-CB 3.27Å; D900-S902 WeakPolarHBondContact OD1-CB 3.29Å; D900-S902 PolarHBondContact OD1-N 3.27Å; D900-S902 PolarHBondContact OD1-OG 3.11Å; D900-S902 WeakPolarHBondContact OD2-CB 3.41Å; D900-S902 PolarHBondContact OD2-OG 3.17Å; S902-H905 PolarHBondContact O-N 2.82Å; S902-K906 PolarHBondContact O-N 3.2Å; S902-K906 VanDerWaalsContact O-N 3.12Å
903	I	89.7	Confident	91.1	Very high	75 Å²	75	53.7 Å²	53.7	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-71	-41.6	176.5	-57.6	175	0	0	0	110.1	T898 D900 W901 H905 K906 I907	T898-I903 HydrophobicContact CG2-CB 4.32Å; T898-I903 HydrophobicContact CG2-CD1 4.36Å; T898-I903 HydrophobicContact CG2-CG2 3.94Å; T898-I903 WeakPolarHBondContact OG1-CD1 3.12Å; D900-I903 HydrophobicContact CB-CD1 4.12Å; D900-I903 HydrophobicContact CB-CG1 4.21Å; D900-I903 WeakPolarHBondContact O-CB 3.34Å; D900-I903 PolarHBondContact O-N 3.09Å; D900-I903 VanDerWaalsContact O-N 3.14Å; W901-I903 PolarHBondContact O-N 3.03Å; I903-H905 PolarHBondContact O-N 2.97Å; I903-K906 WeakPolarHBondContact O-CB 3.33Å; I903-K906 PolarHBondContact O-N 3.07Å; I903-I907 HydrophobicContact CG2-CD1 4.03Å; I903-I907 VanDerWaalsContact O-CG1 3.32Å; I903-I907 WeakPolarHBondContact O-CG1 3.3Å; I903-I907 PolarHBondContact O-N 3.14Å
904	V	91.8	Very high	91.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-45.4	175	-177.9	0	0	0	0	110.7	L893 W896 T898 W901 K906 I907 V908 L929	L893-V904 HydrophobicContact CD2-CG2 3.93Å; W896-V904 HydrophobicContact CB-CG2 4.48Å; T898-V904 HydrophobicContact CG2-CG2 3.76Å; W901-V904 HydrophobicContact CE3-CB 3.96Å; W901-V904 HydrophobicContact CE3-CG1 4.04Å; W901-V904 HydrophobicContact CE3-CG2 4.11Å; W901-V904 HydrophobicContact CZ3-CB 4.38Å; W901-V904 HydrophobicContact CZ3-CG1 4Å; W901-V904 HydrophobicContact CZ3-CG2 4.45Å; W901-V904 WeakPolarHBondContact O-CA 3.34Å; W901-V904 WeakPolarHBondContact O-CB 3.28Å; W901-V904 PolarHBondContact O-N 3.16Å; W901-V904 VanDerWaalsContact O-N 3.14Å; V904-K906 VanDerWaalsContact C-N 3.29Å; V904-K906 PolarHBondContact O-N 3.14Å; V904-I907 PolarHBondContact O-N 3.02Å; V904-I907 VanDerWaalsContact O-N 3.13Å; V904-V908 HydrophobicContact CG1-CG2 4.28Å; V904-V908 WeakPolarHBondContact O-CG2 3.3Å; V904-V908 PolarHBondContact O-N 3.02Å; V904-L929 HydrophobicContact CG1-CD1 4.45Å
905	H	93	Very high	91.3	Very high	0.75 Å²	0.75	45.6 Å²	45.6	0%	0.003	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-38.3	175.3	-86.6	-76.1	0	0	0	112.6	W901 S902 I903 S909 Y926 H927 T941 E944	W901-H905 WeakPolarHBondContact O-CB 3.26Å; W901-H905 PolarHBondContact O-CD2 2.83Å; W901-H905 VanDerWaalsContact O-CD2 3.27Å; W901-H905 PolarHBondContact O-N 3.02Å; S902-H905 PolarHBondContact O-N 2.82Å; I903-H905 PolarHBondContact O-N 2.97Å; H905-S909 VanDerWaalsContact O-CB 3.23Å; H905-S909 WeakPolarHBondContact O-CB 3.18Å; H905-S909 PolarHBondContact O-N 3.26Å; H905-Y926 AromaticContact CE1-CE2 3.87Å; H905-Y926 AromaticContact ND1-CE2 3.33Å; H905-Y926 VanDerWaalsContact ND1-CE2 3.32Å; H905-Y926 WeakPolarHBondContact ND1-CE2 3.41Å; H905-Y926 AromaticContact ND1-CZ 3.68Å; H905-Y926 PolarHBondContact ND1-OH 3.03Å; H905-Y926 VanDerWaalsContact ND1-OH 3.11Å; H905-Y926 PolarHBondContact O-OH 2.98Å; H905-H927 AromaticContact CE1-CD2 3.72Å; H905-T941 PolarHBondContact CE1-OG1 3.16Å; H905-T941 WeakPolarHBondContact NE2-CB 3.32Å; H905-T941 PolarHBondContact NE2-OG1 2.86Å; H905-E944 IonicContact NE2-OE2 3.78Å
906	K	91.5	Very high	91.3	Very high	98.75 Å²	98.75	44.6 Å²	44.6	43%	0.429	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-43.5	172.7	179.5	176.2	-179.2	-177	0	112.3	S902 I903 V904 S909 N910 Y947	S902-K906 PolarHBondContact O-N 3.2Å; S902-K906 VanDerWaalsContact O-N 3.12Å; I903-K906 WeakPolarHBondContact O-CB 3.33Å; I903-K906 PolarHBondContact O-N 3.07Å; V904-K906 VanDerWaalsContact C-N 3.29Å; V904-K906 PolarHBondContact O-N 3.14Å; K906-S909 PolarHBondContact O-N 3.14Å; K906-N910 VanDerWaalsContact O-CG 3.28Å; K906-N910 PolarHBondContact O-N 3.32Å; K906-N910 VanDerWaalsContact O-N 3.12Å; K906-N910 PolarHBondContact O-ND2 3.01Å; K906-Y947 HydrophobicContact CB-CD1 4.34Å; K906-Y947 HydrophobicContact CB-CD2 3.75Å; K906-Y947 HydrophobicContact CB-CE1 4.39Å; K906-Y947 HydrophobicContact CB-CE2 3.84Å; K906-Y947 HydrophobicContact CB-CG 4.01Å; K906-Y947 HydrophobicContact CD-CE2 3.87Å; K906-Y947 HydrophobicContact CG-CD1 4.43Å; K906-Y947 HydrophobicContact CG-CD2 4.17Å; K906-Y947 HydrophobicContact CG-CE1 4.01Å; K906-Y947 HydrophobicContact CG-CE2 3.74Å; K906-Y947 HydrophobicContact CG-CG 4.48Å
907	I	91.8	Very high	91.3	Very high	39.5 Å²	39.5	43.3 Å²	43.3	20%	0.203	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-49.4	177.9	-67.4	164.9	0	0	0	110.5	W896 I903 V904 S909 N910 K911	W896-I907 HydrophobicContact CB-CD1 4.37Å; W896-I907 HydrophobicContact CD2-CD1 3.96Å; W896-I907 HydrophobicContact CD2-CG2 4.11Å; W896-I907 HydrophobicContact CE3-CD1 3.83Å; W896-I907 HydrophobicContact CE3-CG2 3.97Å; W896-I907 HydrophobicContact CG-CD1 4.21Å; W896-I907 HydrophobicContact CH2-CG2 3.57Å; W896-I907 HydrophobicContact CZ2-CG2 3.7Å; W896-I907 HydrophobicContact CZ3-CD1 4.44Å; W896-I907 HydrophobicContact CZ3-CG2 3.7Å; I903-I907 HydrophobicContact CG2-CD1 4.03Å; I903-I907 VanDerWaalsContact O-CG1 3.32Å; I903-I907 WeakPolarHBondContact O-CG1 3.3Å; I903-I907 PolarHBondContact O-N 3.14Å; V904-I907 PolarHBondContact O-N 3.02Å; V904-I907 VanDerWaalsContact O-N 3.13Å; I907-S909 VanDerWaalsContact C-N 3.34Å; I907-S909 PolarHBondContact O-N 3.1Å; I907-N910 WeakPolarHBondContact O-CB 3.34Å; I907-N910 PolarHBondContact O-N 3.08Å; I907-N910 VanDerWaalsContact O-N 3.11Å; I907-K911 HydrophobicContact CG2-CG 4.49Å; I907-K911 WeakPolarHBondContact O-CG 3.26Å; I907-K911 PolarHBondContact O-N 3.16Å; I907-K911 VanDerWaalsContact O-N 3.12Å
908	V	93	Very high	91.3	Very high	0.25 Å²	0.25	38.3 Å²	38.3	0%	0.002	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-44.7	177.8	173.2	0	0	0	0	110.9	W890 V904 N910 K911 I912 Y926 L929	W890-V908 HydrophobicContact CB-CG2 3.67Å; W890-V908 HydrophobicContact CD2-CB 4.48Å; W890-V908 HydrophobicContact CD2-CG1 3.84Å; W890-V908 HydrophobicContact CD2-CG2 3.97Å; W890-V908 HydrophobicContact CE3-CB 4.49Å; W890-V908 HydrophobicContact CE3-CG1 4.06Å; W890-V908 HydrophobicContact CE3-CG2 4.12Å; W890-V908 HydrophobicContact CG-CG1 4.27Å; W890-V908 HydrophobicContact CG-CG2 3.82Å; W890-V908 HydrophobicContact CH2-CG1 4.25Å; W890-V908 HydrophobicContact CZ2-CG1 4.08Å; W890-V908 HydrophobicContact CZ3-CG1 4.24Å; V904-V908 HydrophobicContact CG1-CG2 4.28Å; V904-V908 WeakPolarHBondContact O-CG2 3.3Å; V904-V908 PolarHBondContact O-N 3.02Å; V908-N910 PolarHBondContact O-N 3.09Å; V908-K911 CarbonylContact O-C 3.53Å; V908-K911 PolarHBondContact O-N 3.12Å; V908-I912 HydrophobicContact CG1-CD1 3.95Å; V908-I912 WeakPolarHBondContact O-CG1 3.39Å; V908-I912 PolarHBondContact O-N 3.04Å; V908-Y926 HydrophobicContact CB-CE2 4.39Å; V908-Y926 HydrophobicContact CG1-CD2 3.67Å; V908-Y926 HydrophobicContact CG1-CE2 3.89Å; V908-Y926 HydrophobicContact CG1-CG 4.18Å; V908-L929 HydrophobicContact CB-CD1 4.47Å; V908-L929 HydrophobicContact CG1-CD2 4.41Å; V908-L929 HydrophobicContact CG2-CD1 3.99Å
909	S	92.1	Very high	91.1	Very high	19.5 Å²	19.5	38.1 Å²	38.1	14%	0.136	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-28.2	176.1	-175.9	0	0	0	0	113.4	H905 K906 I907	H905-S909 VanDerWaalsContact O-CB 3.23Å; H905-S909 WeakPolarHBondContact O-CB 3.18Å; H905-S909 PolarHBondContact O-N 3.26Å; K906-S909 PolarHBondContact O-N 3.14Å; I907-S909 VanDerWaalsContact C-N 3.34Å; I907-S909 PolarHBondContact O-N 3.1Å
910	N	91.8	Very high	90.9	Very high	78.5 Å²	78.5	31.6 Å²	31.6	42%	0.42	16%	0.164	S	C	.	.	H	α-helix	trans	-82.1	-19.9	175.5	-71.3	-22.5	0	0	0	112.9	I870 K906 I907 V908 I912	I870-N910 WeakPolarHBondContact CD1-O 3.13Å; K906-N910 VanDerWaalsContact O-CG 3.28Å; K906-N910 PolarHBondContact O-N 3.32Å; K906-N910 VanDerWaalsContact O-N 3.12Å; K906-N910 PolarHBondContact O-ND2 3.01Å; I907-N910 WeakPolarHBondContact O-CB 3.34Å; I907-N910 PolarHBondContact O-N 3.08Å; I907-N910 VanDerWaalsContact O-N 3.11Å; V908-N910 PolarHBondContact O-N 3.09Å; N910-I912 VanDerWaalsContact C-N 3.29Å
911	K	94	Very high	90.9	Very high	21.75 Å²	21.75	28.1 Å²	28.1	10%	0.095	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	6.5	173.8	-71.2	-127	178.4	-128.6	0	113.2	N865 P866 S868 D869 I870 E871 L872 W890 W896 I907 V908	N865-K911 PolarHBondContact O-NZ 3.2Å; P866-K911 PolarHBondContact O-NZ 2.99Å; S868-K911 PolarHBondContact O-NZ 3.04Å; D869-K911 WeakPolarHBondContact O-CD 3.41Å; I870-K911 WeakPolarHBondContact CG2-O 3.18Å; E871-K911 HydrophobicContact CG-CB 4.35Å; E871-K911 HydrophobicContact CG-CD 4.23Å; E871-K911 PolarHBondContact N-O 2.98Å; E871-K911 WeakPolarHBondContact OE1-CD 3.32Å; E871-K911 IonicContact OE1-NZ 2.8Å; E871-K911 PolarHBondContact OE1-NZ 3.14Å; L872-K911 PolarHBondContact N-O 3.04Å; W890-K911 HydrophobicContact CZ3-CB 4.07Å; W896-K911 HydrophobicContact CH2-CD 4.43Å; I907-K911 HydrophobicContact CG2-CG 4.49Å; I907-K911 WeakPolarHBondContact O-CG 3.26Å; I907-K911 PolarHBondContact O-N 3.16Å; I907-K911 VanDerWaalsContact O-N 3.12Å; V908-K911 CarbonylContact O-C 3.53Å; V908-K911 PolarHBondContact O-N 3.12Å
912	I	95.1	Very high	90.9	Very high	3.75 Å²	3.75	26.6 Å²	26.6	2%	0.019	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.7	-179.9	-65.4	170.5	0	0	0	109.4	L872 W890 V908 N910 D914 H917 I924 Y926	L872-I912 HydrophobicContact CB-CG1 4.32Å; L872-I912 HydrophobicContact CD1-CG1 4.45Å; L872-I912 CarbonylContact O-C 3.52Å; L872-I912 WeakPolarHBondContact O-CA 3.34Å; W890-I912 HydrophobicContact CH2-CD1 4.33Å; W890-I912 HydrophobicContact CH2-CG1 4.03Å; W890-I912 HydrophobicContact CZ2-CD1 4.42Å; V908-I912 HydrophobicContact CG1-CD1 3.95Å; V908-I912 WeakPolarHBondContact O-CG1 3.39Å; V908-I912 PolarHBondContact O-N 3.04Å; N910-I912 VanDerWaalsContact C-N 3.29Å; I912-D914 HydrophobicContact CG2-CB 4.17Å; I912-H917 PolarHBondContact O-CE1 3.15Å; I912-H917 PolarHBondContact O-ND1 3.01Å; I912-I924 HydrophobicContact CG2-CB 3.89Å; I912-I924 HydrophobicContact CG2-CD1 3.95Å; I912-I924 HydrophobicContact CG2-CG1 4.42Å; I912-I924 HydrophobicContact CG2-CG2 4.16Å; I912-Y926 HydrophobicContact CD1-CD1 3.66Å; I912-Y926 HydrophobicContact CD1-CD2 4.48Å; I912-Y926 HydrophobicContact CD1-CE1 4.46Å; I912-Y926 HydrophobicContact CD1-CG 3.69Å
913	F	93.9	Very high	91	Very high	12.25 Å²	12.25	27.5 Å²	27.5	5%	0.054	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	113.3	173.9	-171	-91.9	0	0	0	110.5	P841 R842 C845 I870 L872 A873 S874 H917 R918 L921	P841-F913 HydrophobicContact CB-CE2 4.27Å; P841-F913 HydrophobicContact CB-CZ 4.15Å; P841-F913 HydrophobicContact CG-CE2 4.49Å; R842-F913 VanDerWaalsContact O-CE1 3.29Å; R842-F913 WeakPolarHBondContact O-CE1 3.32Å; C845-F913 HydrophobicContact CB-CB 4.32Å; C845-F913 HydrophobicContact CB-CD1 3.4Å; C845-F913 VanDerWaalsContact CB-CD1 3.44Å; C845-F913 HydrophobicContact CB-CD2 4.29Å; C845-F913 HydrophobicContact CB-CE1 3.61Å; C845-F913 HydrophobicContact CB-CE2 4.44Å; C845-F913 HydrophobicContact CB-CG 3.76Å; C845-F913 HydrophobicContact CB-CZ 4.16Å; I870-F913 HydrophobicContact CD1-CB 4.27Å; I870-F913 HydrophobicContact CG1-CB 4.38Å; I870-F913 HydrophobicContact CG2-CB 3.83Å; L872-F913 PolarHBondContact O-N 3.03Å; A873-F913 CarbonylContact C-O 3.54Å; A873-F913 WeakPolarHBondContact CA-O 3.35Å; A873-F913 HydrophobicContact CB-CB 4.12Å; A873-F913 HydrophobicContact CB-CD1 4.48Å; S874-F913 PolarHBondContact N-O 3.07Å; F913-H917 HydrophobicContact CD2-CB 3.78Å; F913-H917 AromaticContact CD2-CG 3.77Å; F913-H917 HydrophobicContact CE2-CB 3.61Å; F913-H917 HydrophobicContact CG-CB 4.44Å; F913-H917 HydrophobicContact CZ-CB 4.16Å; F913-R918 HydrophobicContact CE1-CG 4.2Å; F913-R918 HydrophobicContact CE2-CG 4.44Å; F913-R918 HydrophobicContact CZ-CG 3.7Å; F913-L921 HydrophobicContact CD1-CD1 3.82Å; F913-L921 HydrophobicContact CE1-CD1 3.5Å; F913-L921 VanDerWaalsContact CE1-CD1 3.47Å; F913-L921 HydrophobicContact CZ-CD1 4.44Å
914	D	93.4	Very high	91.3	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.027	12%	0.118	C	C	.	.	S	Bend	trans	-154.7	-160.3	-170.7	78.3	-17.7	0	0	0	112.1	I912 N916 H917 R918 I924	I912-D914 HydrophobicContact CG2-CB 4.17Å; D914-N916 PolarHBondContact O-N 3.04Å; D914-N916 WeakPolarHBondContact OD1-CB 3.3Å; D914-N916 PolarHBondContact OD1-N 3.13Å; D914-N916 PolarHBondContact OD1-ND2 2.89Å; D914-N916 VanDerWaalsContact OD1-ND2 3.17Å; D914-N916 PolarHBondContact OD2-ND2 3.15Å; D914-N916 VanDerWaalsContact OD2-ND2 3.1Å; D914-H917 WeakPolarHBondContact O-CB 3.36Å; D914-H917 PolarHBondContact O-N 3.02Å; D914-H917 IonicContact OD1-ND1 3.32Å; D914-R918 PolarHBondContact O-N 3.03Å; D914-I924 HydrophobicContact CB-CB 4.18Å; D914-I924 HydrophobicContact CB-CD1 4.18Å; D914-I924 HydrophobicContact CB-CG1 3.96Å; D914-I924 PolarHBondContact OD2-N 2.97Å
915	Q	90	Very high	91.4	Very high	27 Å²	27	26.3 Å²	26.3	13%	0.126	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-31.7	176.7	-165	172.1	52.7	0	0	115	P879 H917 R918 L921 A922 K923	P879-Q915 VanDerWaalsContact CB-NE2 3.31Å; P879-Q915 PolarHBondContact O-NE2 3.07Å; Q915-H917 PolarHBondContact O-N 3Å; Q915-R918 CarbonylContact C-O 3.53Å; Q915-R918 VanDerWaalsContact CA-O 3.28Å; Q915-R918 WeakPolarHBondContact CA-O 3.2Å; Q915-R918 CarbonylContact O-C 3.58Å; Q915-L921 WeakPolarHBondContact CB-O 3.33Å; Q915-L921 WeakPolarHBondContact CG-O 3.35Å; Q915-A922 PolarHBondContact N-O 2.95Å; Q915-K923 HydrophobicContact CB-CB 4.13Å
916	N	87.3	Confident	91.5	Very high	45 Å²	45	27.2 Å²	27.2	24%	0.241	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.4	-179.8	-61.2	-60.7	0	0	0	113	D914 G966	D914-N916 PolarHBondContact O-N 3.04Å; D914-N916 WeakPolarHBondContact OD1-CB 3.3Å; D914-N916 PolarHBondContact OD1-N 3.13Å; D914-N916 PolarHBondContact OD1-ND2 2.89Å; D914-N916 VanDerWaalsContact OD1-ND2 3.17Å; D914-N916 PolarHBondContact OD2-ND2 3.15Å; D914-N916 VanDerWaalsContact OD2-ND2 3.1Å; N916-G966 VanDerWaalsContact O-CA 3.27Å; N916-G966 WeakPolarHBondContact O-CA 3.29Å
917	H	89.7	Confident	91.6	Very high	22.75 Å²	22.75	25.1 Å²	25.1	11%	0.105	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-40.8	176.2	-65.7	82.7	0	0	0	111.8	I912 F913 D914 Q915 K992 D993	I912-H917 PolarHBondContact O-CE1 3.15Å; I912-H917 PolarHBondContact O-ND1 3.01Å; F913-H917 HydrophobicContact CD2-CB 3.78Å; F913-H917 AromaticContact CD2-CG 3.77Å; F913-H917 HydrophobicContact CE2-CB 3.61Å; F913-H917 HydrophobicContact CG-CB 4.44Å; F913-H917 HydrophobicContact CZ-CB 4.16Å; D914-H917 WeakPolarHBondContact O-CB 3.36Å; D914-H917 PolarHBondContact O-N 3.02Å; D914-H917 IonicContact OD1-ND1 3.32Å; Q915-H917 PolarHBondContact O-N 3Å; H917-K992 PolarHBondContact CD2-NZ 2.78Å; H917-K992 WeakPolarHBondContact NE2-CE 3.21Å; H917-K992 PolarHBondContact NE2-NZ 3.27Å; H917-D993 PolarHBondContact O-N 3.1Å; H917-D993 VanDerWaalsContact O-N 3.1Å
918	R	90.5	Very high	91.7	Very high	6 Å²	6	24.5 Å²	24.5	2%	0.023	12%	0.123	C	C	.	.			trans	-137.8	121.4	-179.4	-58.8	-64.9	-178.2	-109.7	5.2	109.8	P841 R842 F913 D914 Q915 T920 L921 T991 D993	P841-R918 VanDerWaalsContact O-CZ 3.25Å; P841-R918 PolarHBondContact O-NE 3.14Å; P841-R918 PolarHBondContact O-NH2 3.18Å; R842-R918 HydrophobicContact CG-CG 4.2Å; R842-R918 WeakPolarHBondContact O-CG 3.43Å; F913-R918 HydrophobicContact CE1-CG 4.2Å; F913-R918 HydrophobicContact CE2-CG 4.44Å; F913-R918 HydrophobicContact CZ-CG 3.7Å; D914-R918 PolarHBondContact O-N 3.03Å; Q915-R918 CarbonylContact C-O 3.53Å; Q915-R918 VanDerWaalsContact CA-O 3.28Å; Q915-R918 WeakPolarHBondContact CA-O 3.2Å; Q915-R918 CarbonylContact O-C 3.58Å; R918-T920 PolarHBondContact O-N 3Å; R918-T920 VanDerWaalsContact O-N 3.08Å; R918-L921 HydrophobicContact CB-CD1 3.95Å; R918-L921 HydrophobicContact CB-CG 4.08Å; R918-L921 HydrophobicContact CG-CD1 4.36Å; R918-L921 PolarHBondContact O-N 3.05Å; R918-L921 VanDerWaalsContact O-N 3.13Å; R918-T991 PolarHBondContact NH1-O 3.13Å; R918-D993 VanDerWaalsContact CA-OD2 3.28Å; R918-D993 WeakPolarHBondContact CA-OD2 3.16Å
919	Y	86.8	Confident	91.8	Very high	15.5 Å²	15.5	24.5 Å²	24.5	6%	0.061	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.8	-170.3	79.2	-94.1	0	0	0	113.2	R842 P879 L921 D993 F1019	R842-Y919 VanDerWaalsContact NH2-CE1 3.27Å; P879-Y919 WeakPolarHBondContact CB-O 3.31Å; Y919-L921 VanDerWaalsContact C-N 3.31Å; Y919-L921 PolarHBondContact O-N 2.92Å; Y919-D993 HydrophobicContact CD1-CB 4.23Å; Y919-D993 VanDerWaalsContact CD1-OD2 3.26Å; Y919-D993 WeakPolarHBondContact CD1-OD2 3.36Å; Y919-D993 PolarHBondContact N-OD2 2.86Å; Y919-D993 VanDerWaalsContact N-OD2 3.13Å; Y919-F1019 HydrophobicContact CD1-CB 3.49Å; Y919-F1019 VanDerWaalsContact CD1-CB 3.48Å; Y919-F1019 HydrophobicContact CD1-CD1 4.37Å; Y919-F1019 HydrophobicContact CD1-CD2 4.44Å; Y919-F1019 AromaticContact CD1-CG 3.93Å; Y919-F1019 HydrophobicContact CD1-CG 3.97Å; Y919-F1019 HydrophobicContact CD2-CB 3.89Å; Y919-F1019 AromaticContact CD2-CD1 3.37Å; Y919-F1019 HydrophobicContact CD2-CD1 3.37Å; Y919-F1019 VanDerWaalsContact CD2-CD1 3.41Å; Y919-F1019 AromaticContact CD2-CD2 3.79Å; Y919-F1019 HydrophobicContact CD2-CD2 3.79Å; Y919-F1019 AromaticContact CD2-CE1 3.71Å; Y919-F1019 HydrophobicContact CD2-CE1 3.71Å; Y919-F1019 AromaticContact CD2-CE2 3.9Å; Y919-F1019 HydrophobicContact CD2-CE2 4.08Å; Y919-F1019 AromaticContact CD2-CG 3.41Å; Y919-F1019 HydrophobicContact CD2-CG 3.41Å; Y919-F1019 HydrophobicContact CD2-CZ 4.04Å; Y919-F1019 HydrophobicContact CE1-CB 3.67Å; Y919-F1019 AromaticContact CE1-CD2 3.91Å; Y919-F1019 HydrophobicContact CE1-CD2 4.09Å; Y919-F1019 AromaticContact CE1-CG 3.85Å; Y919-F1019 HydrophobicContact CE1-CG 4Å; Y919-F1019 HydrophobicContact CE2-CB 4.07Å; Y919-F1019 AromaticContact CE2-CD1 3.7Å; Y919-F1019 HydrophobicContact CE2-CD1 3.8Å; Y919-F1019 AromaticContact CE2-CD2 3.31Å; Y919-F1019 HydrophobicContact CE2-CD2 3.31Å; Y919-F1019 AromaticContact CE2-CE1 3.76Å; Y919-F1019 HydrophobicContact CE2-CE1 3.98Å; Y919-F1019 AromaticContact CE2-CE2 3.49Å; Y919-F1019 HydrophobicContact CE2-CE2 3.49Å; Y919-F1019 VanDerWaalsContact CE2-CE2 3.43Å; Y919-F1019 AromaticContact CE2-CG 3.46Å; Y919-F1019 HydrophobicContact CE2-CG 3.46Å; Y919-F1019 VanDerWaalsContact CE2-CG 3.43Å; Y919-F1019 AromaticContact CE2-CZ 3.61Å; Y919-F1019 HydrophobicContact CE2-CZ 3.82Å; Y919-F1019 HydrophobicContact CG-CB 3.61Å; Y919-F1019 VanDerWaalsContact CG-CB 3.48Å; Y919-F1019 AromaticContact CG-CD1 3.78Å; Y919-F1019 HydrophobicContact CG-CD1 3.78Å; Y919-F1019 HydrophobicContact CG-CD2 4.37Å; Y919-F1019 HydrophobicContact CG-CE1 4.44Å; Y919-F1019 AromaticContact CG-CG 3.69Å; Y919-F1019 HydrophobicContact CG-CG 3.69Å; Y919-F1019 AromaticContact CZ-CD2 3.47Å; Y919-F1019 AromaticContact CZ-CE2 3.75Å; Y919-F1019 AromaticContact CZ-CG 3.67Å; Y919-F1019 WeakPolarHBondContact OH-CD2 3.4Å
920	T	84.6	Confident	91.9	Very high	26.5 Å²	26.5	23.6 Å²	23.6	16%	0.163	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18	-178	48.7	0	0	0	0	113.7	R842 S877 S878 R918	R842-T920 PolarHBondContact NH2-OG1 2.93Å; S877-T920 CarbonylContact C-O 3.53Å; S877-T920 VanDerWaalsContact C-O 3.25Å; S877-T920 VanDerWaalsContact CA-O 3.29Å; S877-T920 WeakPolarHBondContact CA-O 3.32Å; S878-T920 PolarHBondContact N-O 3.12Å; S878-T920 VanDerWaalsContact N-O 3.13Å; R918-T920 PolarHBondContact O-N 3Å; R918-T920 VanDerWaalsContact O-N 3.08Å
921	L	90.2	Very high	91.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-84.4	151.8	-176	-66.1	177.8	0	0	0	112.3	S874 L876 F913 Q915 R918 Y919	S874-L921 WeakPolarHBondContact O-CD1 3.43Å; S874-L921 WeakPolarHBondContact O-CD2 3.25Å; L876-L921 CarbonylContact O-C 3.5Å; L876-L921 WeakPolarHBondContact O-CA 3.36Å; F913-L921 HydrophobicContact CD1-CD1 3.82Å; F913-L921 HydrophobicContact CE1-CD1 3.5Å; F913-L921 VanDerWaalsContact CE1-CD1 3.47Å; F913-L921 HydrophobicContact CZ-CD1 4.44Å; Q915-L921 WeakPolarHBondContact CB-O 3.33Å; Q915-L921 WeakPolarHBondContact CG-O 3.35Å; R918-L921 HydrophobicContact CB-CD1 3.95Å; R918-L921 HydrophobicContact CB-CG 4.08Å; R918-L921 HydrophobicContact CG-CD1 4.36Å; R918-L921 PolarHBondContact O-N 3.05Å; R918-L921 VanDerWaalsContact O-N 3.13Å; Y919-L921 VanDerWaalsContact C-N 3.31Å; Y919-L921 PolarHBondContact O-N 2.92Å
922	A	90	Very high	91.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-66.3	144.9	168.3	0	0	0	0	0	111.2	S874 L876 S878 K881 I883 Q915	S874-A922 WeakPolarHBondContact CB-O 3.4Å; S874-A922 PolarHBondContact OG-O 3.13Å; S874-A922 VanDerWaalsContact OG-O 3.1Å; L876-A922 HydrophobicContact CB-CB 3.99Å; L876-A922 HydrophobicContact CD2-CB 3.63Å; L876-A922 HydrophobicContact CG-CB 3.85Å; L876-A922 PolarHBondContact O-N 3.09Å; S878-A922 VanDerWaalsContact O-CA 3.3Å; S878-A922 WeakPolarHBondContact O-CA 3.34Å; S878-A922 WeakPolarHBondContact O-CB 3.38Å; K881-A922 HydrophobicContact CB-CB 4.16Å; K881-A922 WeakPolarHBondContact O-CB 3.4Å; I883-A922 HydrophobicContact CD1-CB 4.18Å; I883-A922 HydrophobicContact CG1-CB 4.35Å; Q915-A922 PolarHBondContact N-O 2.95Å
923	K	91.6	Very high	91.4	Very high	80 Å²	80	28.2 Å²	28.2	35%	0.348	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.5	177.4	-179.8	-178.3	175.6	-176.3	0	111	K881 Q882 I883 Q915 N925	K881-K923 PolarHBondContact O-N 3.29Å; Q882-K923 CarbonylContact C-O 3.44Å; Q882-K923 VanDerWaalsContact CA-O 3.3Å; Q882-K923 WeakPolarHBondContact CA-O 3.37Å; Q882-K923 HydrophobicContact CG-CB 4.4Å; I883-K923 PolarHBondContact N-O 3.22Å; Q915-K923 HydrophobicContact CB-CB 4.13Å; K923-N925 WeakPolarHBondContact CE-OD1 3.37Å
924	I	95.1	Very high	91.3	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.4	173.9	-65.8	175.9	0	0	0	109.5	I851 L872 I883 A885 I912 D914 Y926	I851-I924 HydrophobicContact CD1-CD1 4.35Å; L872-I924 HydrophobicContact CB-CD1 4.21Å; L872-I924 HydrophobicContact CD1-CG2 4.27Å; I883-I924 HydrophobicContact CB-CG1 4.23Å; I883-I924 HydrophobicContact CD1-CG1 4.3Å; A885-I924 HydrophobicContact CB-CG2 3.56Å; I912-I924 HydrophobicContact CG2-CB 3.89Å; I912-I924 HydrophobicContact CG2-CD1 3.95Å; I912-I924 HydrophobicContact CG2-CG1 4.42Å; I912-I924 HydrophobicContact CG2-CG2 4.16Å; D914-I924 HydrophobicContact CB-CB 4.18Å; D914-I924 HydrophobicContact CB-CD1 4.18Å; D914-I924 HydrophobicContact CB-CG1 3.96Å; D914-I924 PolarHBondContact OD2-N 2.97Å; I924-Y926 PolarHBondContact O-N 3.13Å
925	N	94.4	Very high	91.3	Very high	46.25 Å²	46.25	32.5 Å²	32.5	25%	0.247	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	99.7	175.9	-71.2	-20.5	0	0	0	109.9	Q882 I883 A885 T886 K923	Q882-N925 PolarHBondContact OE1-ND2 3.25Å; I883-N925 PolarHBondContact O-N 2.95Å; A885-N925 CarbonylContact C-O 3.58Å; A885-N925 VanDerWaalsContact C-O 3.26Å; A885-N925 WeakPolarHBondContact CA-O 3.32Å; A885-N925 PolarHBondContact N-O 3.04Å; T886-N925 VanDerWaalsContact CG2-O 3.29Å; T886-N925 WeakPolarHBondContact CG2-O 3.36Å; T886-N925 PolarHBondContact N-O 3.2Å; K923-N925 WeakPolarHBondContact CE-OD1 3.37Å
926	Y	94.4	Very high	91.4	Very high	19.25 Å²	19.25	38.3 Å²	38.3	8%	0.075	18%	0.184	C	C	.	.			trans	-95.6	-22.5	-179.1	77.7	-92.3	0	0	0	114	A885 H905 V908 I912 I924 P928 L929 Y947	A885-Y926 WeakPolarHBondContact O-CA 3.49Å; H905-Y926 AromaticContact CE1-CE2 3.87Å; H905-Y926 AromaticContact ND1-CE2 3.33Å; H905-Y926 VanDerWaalsContact ND1-CE2 3.32Å; H905-Y926 WeakPolarHBondContact ND1-CE2 3.41Å; H905-Y926 AromaticContact ND1-CZ 3.68Å; H905-Y926 PolarHBondContact ND1-OH 3.03Å; H905-Y926 VanDerWaalsContact ND1-OH 3.11Å; H905-Y926 PolarHBondContact O-OH 2.98Å; V908-Y926 HydrophobicContact CB-CE2 4.39Å; V908-Y926 HydrophobicContact CG1-CD2 3.67Å; V908-Y926 HydrophobicContact CG1-CE2 3.89Å; V908-Y926 HydrophobicContact CG1-CG 4.18Å; I912-Y926 HydrophobicContact CD1-CD1 3.66Å; I912-Y926 HydrophobicContact CD1-CD2 4.48Å; I912-Y926 HydrophobicContact CD1-CE1 4.46Å; I912-Y926 HydrophobicContact CD1-CG 3.69Å; I924-Y926 PolarHBondContact O-N 3.13Å; Y926-P928 CarbonylContact O-C 3.52Å; Y926-L929 HydrophobicContact CD2-CD1 4.46Å; Y926-L929 HydrophobicContact CD2-CD2 3.63Å; Y926-L929 HydrophobicContact CD2-CG 4.18Å; Y926-L929 HydrophobicContact CE2-CD1 4.31Å; Y926-L929 HydrophobicContact CE2-CD2 4.23Å; Y926-L929 HydrophobicContact CE2-CG 4.32Å; Y926-Y947 PolarHBondContact OH-N 3.04Å
927	H	93.5	Very high	91.5	Very high	55.25 Å²	55.25	36.9 Å²	36.9	26%	0.256	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-83.9	135.7	-176.9	172.1	-79.9	0	0	0	111.4	T886 H905 T941 E944 P946	T886-H927 VanDerWaalsContact CG2-O 3.29Å; T886-H927 WeakPolarHBondContact CG2-O 3.31Å; H905-H927 AromaticContact CE1-CD2 3.72Å; H927-T941 PolarHBondContact NE2-O 3.08Å; H927-T941 VanDerWaalsContact NE2-O 3.16Å; H927-E944 PolarHBondContact NE2-O 3.09Å; H927-E944 VanDerWaalsContact NE2-O 3.11Å; H927-P946 HydrophobicContact CB-CB 4.19Å
928	P	95.1	Very high	91.4	Very high	25.25 Å²	25.25	42.2 Å²	42.2	16%	0.164	21%	0.207	C	C	.	.	S	Bend	cis	-87.1	159.7	3.5	33.9	-34.8	0	0	0	113.7	L887 Y926 I940	L887-P928 WeakPolarHBondContact CA-O 3.38Å; L887-P928 HydrophobicContact CD2-CG 4.08Å; L887-P928 PolarHBondContact N-O 2.93Å; Y926-P928 CarbonylContact O-C 3.52Å; P928-I940 HydrophobicContact CB-CB 4.32Å; P928-I940 HydrophobicContact CB-CD1 4.42Å; P928-I940 HydrophobicContact CG-CB 4.49Å; P928-I940 HydrophobicContact CG-CD1 3.96Å
929	L	94.1	Very high	91.5	Very high	2 Å²	2	48 Å²	48	1%	0.01	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-91.7	154.9	176.7	-60.1	-179.2	0	0	0	111.7	W890 V904 V908 Y926 I940 T941	W890-L929 VanDerWaalsContact CD1-CD2 3.43Å; W890-L929 HydrophobicContact CG-CD2 4.3Å; V904-L929 HydrophobicContact CG1-CD1 4.45Å; V908-L929 HydrophobicContact CB-CD1 4.47Å; V908-L929 HydrophobicContact CG1-CD2 4.41Å; V908-L929 HydrophobicContact CG2-CD1 3.99Å; Y926-L929 HydrophobicContact CD2-CD1 4.46Å; Y926-L929 HydrophobicContact CD2-CD2 3.63Å; Y926-L929 HydrophobicContact CD2-CG 4.18Å; Y926-L929 HydrophobicContact CE2-CD1 4.31Å; Y926-L929 HydrophobicContact CE2-CD2 4.23Å; Y926-L929 HydrophobicContact CE2-CG 4.32Å; L929-I940 CarbonylContact O-C 3.44Å; L929-I940 WeakPolarHBondContact O-CA 3.35Å; L929-I940 WeakPolarHBondContact O-CB 3.3Å; L929-T941 HydrophobicContact CB-CG2 4.05Å; L929-T941 PolarHBondContact N-OG1 2.92Å; L929-T941 PolarHBondContact O-N 3.24Å
930	L	94.3	Very high	91.8	Very high	0.5 Å²	0.5	49.4 Å²	49.4	0%	0.003	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-78.5	134.5	165.8	-72.6	171	0	0	0	110.3	R860 L887 N888 Y889 L935 I940	R860-L930 HydrophobicContact CG-CD1 4.49Å; L887-L930 HydrophobicContact CB-CG 4.46Å; L887-L930 WeakPolarHBondContact O-CD1 3.3Å; L887-L930 WeakPolarHBondContact O-CG 3.44Å; N888-L930 PolarHBondContact O-N 3.03Å; Y889-L930 HydrophobicContact CD2-CB 4.41Å; Y889-L930 WeakPolarHBondContact CD2-O 3.35Å; L930-L935 HydrophobicContact CD1-CD2 4.07Å; L930-I940 HydrophobicContact CD2-CG2 3.93Å
931	K	91.4	Very high	92.2	Very high	40.75 Å²	40.75	48.1 Å²	48.1	18%	0.177	23%	0.233	C	C	.	.	S	Bend	trans	-88.9	-17.9	178.1	-67.8	-173.8	169.2	175.3	0	113.7	W901 F939 I940 T941 N943 E944	W901-K931 HydrophobicContact CH2-CB 4.05Å; W901-K931 HydrophobicContact CH2-CD 4.48Å; W901-K931 HydrophobicContact CH2-CG 3.79Å; W901-K931 HydrophobicContact CZ2-CB 3.93Å; W901-K931 HydrophobicContact CZ2-CD 3.96Å; W901-K931 HydrophobicContact CZ2-CG 3.58Å; W901-K931 HydrophobicContact CZ3-CG 4.47Å; K931-F939 HydrophobicContact CB-CD1 3.39Å; K931-F939 VanDerWaalsContact CB-CD1 3.43Å; K931-F939 HydrophobicContact CB-CE1 3.48Å; K931-F939 VanDerWaalsContact CB-CE1 3.46Å; K931-F939 HydrophobicContact CB-CG 4.07Å; K931-F939 HydrophobicContact CB-CZ 4.24Å; K931-F939 HydrophobicContact CD-CD1 4.22Å; K931-F939 HydrophobicContact CD-CD2 4.33Å; K931-F939 HydrophobicContact CD-CE1 3.82Å; K931-F939 HydrophobicContact CD-CE2 3.94Å; K931-F939 HydrophobicContact CD-CG 4.45Å; K931-F939 HydrophobicContact CD-CZ 3.66Å; K931-F939 HydrophobicContact CG-CD1 4.36Å; K931-F939 HydrophobicContact CG-CE1 4.27Å; K931-F939 PolarHBondContact N-O 3.37Å; K931-I940 WeakPolarHBondContact CD-O 3.27Å; K931-I940 WeakPolarHBondContact CE-O 3.44Å; K931-I940 PolarHBondContact NZ-O 3.1Å; K931-T941 HydrophobicContact CD-CG2 4.33Å; K931-T941 VanDerWaalsContact CE-CG2 3.44Å; K931-T941 HydrophobicContact CG-CG2 3.85Å; K931-N943 PolarHBondContact NZ-OD1 3.09Å; K931-E944 IonicContact NZ-OE1 3.68Å; K931-E944 PolarHBondContact NZ-OE1 2.73Å
932	D	89.7	Confident	92.2	Very high	59.75 Å²	59.75	51.3 Å²	51.3	32%	0.32	26%	0.255	S	S	.	.	S	Bend	trans	-123.5	156.6	-177.2	126.1	19.5	0	0	0	112.3	Y889 N934 S937 F939	Y889-D932 VanDerWaalsContact CD2-C 3.44Å; Y889-D932 VanDerWaalsContact CD2-O 3.28Å; Y889-D932 WeakPolarHBondContact CD2-O 3.37Å; Y889-D932 VanDerWaalsContact CE2-C 3.43Å; D932-N934 PolarHBondContact O-N 3.01Å; D932-N934 WeakPolarHBondContact OD1-CB 3.47Å; D932-N934 PolarHBondContact OD1-N 3.25Å; D932-N934 VanDerWaalsContact OD1-N 3.11Å; D932-N934 VanDerWaalsContact OD1-O 3.12Å; D932-S937 VanDerWaalsContact CG-OG 3.29Å; D932-S937 VanDerWaalsContact OD1-CB 3.24Å; D932-S937 WeakPolarHBondContact OD1-CB 3.31Å; D932-S937 PolarHBondContact OD1-OG 3.1Å; D932-S937 WeakPolarHBondContact OD2-CB 3.34Å; D932-S937 PolarHBondContact OD2-OG 3.06Å; D932-F939 HydrophobicContact CB-CD1 4.38Å
933	L	89.8	Confident	92.2	Very high	98.25 Å²	98.25	57.8 Å²	57.8	51%	0.514	29%	0.29	S	S	.	.	S	Bend	trans	-66.5	-18.4	176.8	-76.8	163.5	0	0	0	113.1	H862 Y889 L935	H862-L933 WeakPolarHBondContact CE1-CD2 3.35Å; Y889-L933 HydrophobicContact CD1-CD2 3.93Å; Y889-L933 HydrophobicContact CE1-CD2 3.38Å; Y889-L933 VanDerWaalsContact CE1-CD2 3.46Å; Y889-L933 HydrophobicContact CE1-CG 4.03Å; Y889-L933 HydrophobicContact CE2-CD2 4.45Å; Y889-L933 HydrophobicContact CE2-CG 4.36Å; L933-L935 PolarHBondContact O-N 3.03Å
934	N	92.2	Very high	92	Very high	88.5 Å²	88.5	56.6 Å²	56.6	47%	0.473	29%	0.285	S	S	.	.			trans	-73	97	175	-180	2.6	0	0	0	109.2	D932 R936 S937	D932-N934 PolarHBondContact O-N 3.01Å; D932-N934 WeakPolarHBondContact OD1-CB 3.47Å; D932-N934 PolarHBondContact OD1-N 3.25Å; D932-N934 VanDerWaalsContact OD1-N 3.11Å; D932-N934 VanDerWaalsContact OD1-O 3.12Å; N934-R936 PolarHBondContact O-N 2.98Å; N934-R936 PolarHBondContact OD1-N 3.12Å; N934-R936 VanDerWaalsContact OD1-N 3.14Å; N934-S937 VanDerWaalsContact O-CB 3.28Å; N934-S937 WeakPolarHBondContact O-CB 3.38Å; N934-S937 PolarHBondContact O-N 3.02Å; N934-S937 PolarHBondContact O-OG 2.92Å; N934-S937 VanDerWaalsContact O-OG 3.08Å
935	L	92.4	Very high	91.6	Very high	21 Å²	21	61.1 Å²	61.1	11%	0.11	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-11	-178.8	-59	177.4	0	0	0	114.3	Y823 R860 H862 L930 L933	Y823-L935 HydrophobicContact CD1-CB 3.81Å; Y823-L935 HydrophobicContact CD1-CD1 4.47Å; Y823-L935 HydrophobicContact CE1-CB 4.2Å; R860-L935 HydrophobicContact CB-CB 4.48Å; R860-L935 WeakPolarHBondContact CB-O 3.38Å; R860-L935 VanDerWaalsContact CD-O 3.25Å; R860-L935 WeakPolarHBondContact CD-O 3.33Å; R860-L935 VanDerWaalsContact CG-O 3.3Å; R860-L935 WeakPolarHBondContact CG-O 3.33Å; R860-L935 PolarHBondContact NH1-O 3.03Å; R860-L935 WeakPolarHBondContact O-CD1 3.33Å; H862-L935 HydrophobicContact CB-CD1 4.35Å; H862-L935 HydrophobicContact CB-CD2 4.18Å; L930-L935 HydrophobicContact CD1-CD2 4.07Å; L933-L935 PolarHBondContact O-N 3.03Å
936	R	92	Very high	91.2	Very high	148.25 Å²	148.25	62 Å²	62	56%	0.559	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-4	173.9	-64.1	-173	-179.3	127.5	-2.3	114.2	Y794 Y823 R860 N934	Y794-R936 VanDerWaalsContact CE1-NH2 3.3Å; Y794-R936 PolarHBondContact OH-NH2 2.99Å; Y823-R936 HydrophobicContact CE1-CG 3.69Å; R860-R936 VanDerWaalsContact NH1-C 3.28Å; R860-R936 VanDerWaalsContact NH1-CA 3.3Å; R860-R936 PolarHBondContact NH1-O 2.01Å; R860-R936 VanDerWaalsContact NH1-O 3.09Å; N934-R936 PolarHBondContact O-N 2.98Å; N934-R936 PolarHBondContact OD1-N 3.12Å; N934-R936 VanDerWaalsContact OD1-N 3.14Å
937	S	89.7	Confident	90.9	Very high	14.25 Å²	14.25	64 Å²	64	10%	0.1	33%	0.331	C	S	.	.			trans	-64.8	159.9	179.3	94.7	0	0	0	0	112	R860 D932 N934 F939	R860-S937 PolarHBondContact NH1-O 2.97Å; R860-S937 PolarHBondContact NH2-O 3.22Å; R860-S937 VanDerWaalsContact NH2-O 3.15Å; D932-S937 VanDerWaalsContact CG-OG 3.29Å; D932-S937 VanDerWaalsContact OD1-CB 3.24Å; D932-S937 WeakPolarHBondContact OD1-CB 3.31Å; D932-S937 PolarHBondContact OD1-OG 3.1Å; D932-S937 WeakPolarHBondContact OD2-CB 3.34Å; D932-S937 PolarHBondContact OD2-OG 3.06Å; N934-S937 VanDerWaalsContact O-CB 3.28Å; N934-S937 WeakPolarHBondContact O-CB 3.38Å; N934-S937 PolarHBondContact O-N 3.02Å; N934-S937 PolarHBondContact O-OG 2.92Å; N934-S937 VanDerWaalsContact O-OG 3.08Å; S937-F939 WeakPolarHBondContact OG-CD2 3.28Å; S937-F939 PolarHBondContact OG-N 3.25Å
938	N	87.9	Confident	90.5	Very high	134.5 Å²	134.5	64.8 Å²	64.8	72%	0.719	34%	0.337	S	S	*	.			trans	-107.1	16.3	169.9	-68	-21.3	0	0	0	111.4	R860 I940	R860-N938 PolarHBondContact NH2-OD1 3.07Å; R860-N938 VanDerWaalsContact NH2-OD1 3.16Å; N938-I940 PolarHBondContact O-N 3.01Å
939	F	92.1	Very high	89.8	Confident	127.75 Å²	127.75	64.8 Å²	64.8	56%	0.56	34%	0.337	S	S	*	.			trans	-86	102.9	179	-152.8	-121.7	0	0	0	110	K931 D932 S937	K931-F939 HydrophobicContact CB-CD1 3.39Å; K931-F939 VanDerWaalsContact CB-CD1 3.43Å; K931-F939 HydrophobicContact CB-CE1 3.48Å; K931-F939 VanDerWaalsContact CB-CE1 3.46Å; K931-F939 HydrophobicContact CB-CG 4.07Å; K931-F939 HydrophobicContact CB-CZ 4.24Å; K931-F939 HydrophobicContact CD-CD1 4.22Å; K931-F939 HydrophobicContact CD-CD2 4.33Å; K931-F939 HydrophobicContact CD-CE1 3.82Å; K931-F939 HydrophobicContact CD-CE2 3.94Å; K931-F939 HydrophobicContact CD-CG 4.45Å; K931-F939 HydrophobicContact CD-CZ 3.66Å; K931-F939 HydrophobicContact CG-CD1 4.36Å; K931-F939 HydrophobicContact CG-CE1 4.27Å; K931-F939 PolarHBondContact N-O 3.37Å; D932-F939 HydrophobicContact CB-CD1 4.38Å; S937-F939 WeakPolarHBondContact OG-CD2 3.28Å; S937-F939 PolarHBondContact OG-N 3.25Å
940	I	93.6	Very high	89.3	Confident	45.25 Å²	45.25	69 Å²	69	23%	0.232	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-133	165.9	-165.6	59.5	174.5	0	0	0	113.4	L887 P928 L929 L930 K931 N938 S942	L887-I940 HydrophobicContact CD2-CB 4.48Å; L887-I940 HydrophobicContact CD2-CD1 4.46Å; L887-I940 HydrophobicContact CD2-CG2 3.65Å; P928-I940 HydrophobicContact CB-CB 4.32Å; P928-I940 HydrophobicContact CB-CD1 4.42Å; P928-I940 HydrophobicContact CG-CB 4.49Å; P928-I940 HydrophobicContact CG-CD1 3.96Å; L929-I940 CarbonylContact O-C 3.44Å; L929-I940 WeakPolarHBondContact O-CA 3.35Å; L929-I940 WeakPolarHBondContact O-CB 3.3Å; L930-I940 HydrophobicContact CD2-CG2 3.93Å; K931-I940 WeakPolarHBondContact CD-O 3.27Å; K931-I940 WeakPolarHBondContact CE-O 3.44Å; K931-I940 PolarHBondContact NZ-O 3.1Å; N938-I940 PolarHBondContact O-N 3.01Å; I940-S942 VanDerWaalsContact C-N 3.29Å; I940-S942 PolarHBondContact O-N 3.16Å
941	T	92	Very high	89	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.361	C	S	.	.			trans	-87.4	27.7	176.6	64.7	0	0	0	0	114.3	W901 H905 H927 L929 K931 N943 E944	W901-T941 HydrophobicContact CD2-CG2 3.97Å; W901-T941 HydrophobicContact CE3-CG2 3.66Å; W901-T941 HydrophobicContact CG-CG2 4.43Å; W901-T941 HydrophobicContact CH2-CG2 4.49Å; W901-T941 HydrophobicContact CZ3-CG2 4Å; H905-T941 PolarHBondContact CE1-OG1 3.16Å; H905-T941 WeakPolarHBondContact NE2-CB 3.32Å; H905-T941 PolarHBondContact NE2-OG1 2.86Å; H927-T941 PolarHBondContact NE2-O 3.08Å; H927-T941 VanDerWaalsContact NE2-O 3.16Å; L929-T941 HydrophobicContact CB-CG2 4.05Å; L929-T941 PolarHBondContact N-OG1 2.92Å; L929-T941 PolarHBondContact O-N 3.24Å; K931-T941 HydrophobicContact CD-CG2 4.33Å; K931-T941 VanDerWaalsContact CE-CG2 3.44Å; K931-T941 HydrophobicContact CG-CG2 3.85Å; T941-N943 PolarHBondContact O-N 3.28Å; T941-N943 VanDerWaalsContact O-N 3.13Å; T941-E944 VanDerWaalsContact CB-OE2 3.23Å; T941-E944 WeakPolarHBondContact CB-OE2 3.18Å; T941-E944 HydrophobicContact CG2-CG 4.45Å; T941-E944 WeakPolarHBondContact CG2-OE2 3.49Å; T941-E944 PolarHBondContact O-N 3.04Å
942	S	90.3	Very high	88.7	Confident	66.25 Å²	66.25	70.3 Å²	70.3	46%	0.463	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25	-178.5	55.1	0	0	0	0	114.7	I940 E944	I940-S942 VanDerWaalsContact C-N 3.29Å; I940-S942 PolarHBondContact O-N 3.16Å; S942-E944 VanDerWaalsContact C-N 3.33Å
943	N	89.8	Confident	88.3	Confident	137.5 Å²	137.5	71.8 Å²	71.8	74%	0.735	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-5	180	-40.8	-16.1	0	0	0	112.8	K931 T941	K931-N943 PolarHBondContact NZ-OD1 3.09Å; T941-N943 PolarHBondContact O-N 3.28Å; T941-N943 VanDerWaalsContact O-N 3.13Å
944	E	87.9	Confident	87.3	Confident	53.25 Å²	53.25	72.7 Å²	72.7	25%	0.249	38%	0.382	C	S	.	.	S	Bend	trans	-103	134.7	178.1	-56.4	-77.4	171.7	0	0	109	W901 H905 H927 K931 T941 S942	W901-E944 HydrophobicContact CB-CG 4.1Å; W901-E944 WeakPolarHBondContact CB-OE2 3.36Å; W901-E944 HydrophobicContact CG-CG 4.37Å; H905-E944 IonicContact NE2-OE2 3.78Å; H927-E944 PolarHBondContact NE2-O 3.09Å; H927-E944 VanDerWaalsContact NE2-O 3.11Å; K931-E944 IonicContact NZ-OE1 3.68Å; K931-E944 PolarHBondContact NZ-OE1 2.73Å; T941-E944 VanDerWaalsContact CB-OE2 3.23Å; T941-E944 WeakPolarHBondContact CB-OE2 3.18Å; T941-E944 HydrophobicContact CG2-CG 4.45Å; T941-E944 WeakPolarHBondContact CG2-OE2 3.49Å; T941-E944 PolarHBondContact O-N 3.04Å; S942-E944 VanDerWaalsContact C-N 3.33Å
945	P	86.2	Confident	85.7	Confident	99.5 Å²	99.5	70.9 Å²	70.9	65%	0.646	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-69	146.7	177.6	28.6	-33.9	0	0	0	111.3
946	P	86.7	Confident	83.9	Confident	65.5 Å²	65.5	77.1 Å²	77.1	43%	0.425	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-65.4	147.1	172.2	29.1	-34.8	0	0	0	110.8	H927 I948	H927-P946 HydrophobicContact CB-CB 4.19Å; P946-I948 PolarHBondContact O-N 2.99Å
947	Y	89.1	Confident	82.3	Confident	60.75 Å²	60.75	72.3 Å²	72.3	24%	0.238	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-66.3	131.4	175.8	177.8	-103.9	0	0	0	111.7	K906 Y926	K906-Y947 HydrophobicContact CB-CD1 4.34Å; K906-Y947 HydrophobicContact CB-CD2 3.75Å; K906-Y947 HydrophobicContact CB-CE1 4.39Å; K906-Y947 HydrophobicContact CB-CE2 3.84Å; K906-Y947 HydrophobicContact CB-CG 4.01Å; K906-Y947 HydrophobicContact CD-CE2 3.87Å; K906-Y947 HydrophobicContact CG-CD1 4.43Å; K906-Y947 HydrophobicContact CG-CD2 4.17Å; K906-Y947 HydrophobicContact CG-CE1 4.01Å; K906-Y947 HydrophobicContact CG-CE2 3.74Å; K906-Y947 HydrophobicContact CG-CG 4.48Å; Y926-Y947 PolarHBondContact OH-N 3.04Å
948	I	83.8	Confident	80.9	Confident	72.5 Å²	72.5	79.2 Å²	79.2	37%	0.372	44%	0.437	S	S	.	.			trans	-109.3	120.7	172.4	-59.2	174.4	0	0	0	107.5	P946 P969	P946-I948 PolarHBondContact O-N 2.99Å; I948-P969 HydrophobicContact CG2-CB 3.88Å
949	S	81.9	Confident	79.7	Confident	25.5 Å²	25.5	80 Å²	80	18%	0.178	44%	0.441	C	S	.	.			trans	-71.7	133.5	-179.4	77.6	0	0	0	0	112	F951	S949-F951 PolarHBondContact O-N 3.16Å
950	N	83.5	Confident	78.4	Confident	89.25 Å²	89.25	78.3 Å²	78.3	48%	0.477	44%	0.435	S	S	.	.			trans	-63.3	131.3	170.4	-66.3	-9.3	0	0	0	110.7	I952	N950-I952 VanDerWaalsContact C-N 3.34Å; N950-I952 PolarHBondContact O-N 2.96Å
951	F	86.5	Confident	77.3	Confident	9.25 Å²	9.25	77.7 Å²	77.7	4%	0.041	43%	0.434	C	S	.	.	S	Bend	trans	-69	-33.4	178.4	-179.4	-102.7	0	0	0	113	S949 L964 G965 G966 I968 V976 I994 L1002	S949-F951 PolarHBondContact O-N 3.16Å; F951-L964 HydrophobicContact CD1-CD1 3.99Å; F951-L964 HydrophobicContact CE1-CD1 4.12Å; F951-L964 HydrophobicContact CE1-CD2 4.36Å; F951-L964 HydrophobicContact CE1-CG 4.01Å; F951-L964 HydrophobicContact CZ-CD1 4.17Å; F951-L964 HydrophobicContact CZ-CD2 4.22Å; F951-L964 HydrophobicContact CZ-CG 4.1Å; F951-L964 VanDerWaalsContact O-CA 3.28Å; F951-L964 WeakPolarHBondContact O-CA 3.43Å; F951-L964 WeakPolarHBondContact O-CB 3.19Å; F951-G965 PolarHBondContact O-N 3.13Å; F951-G965 VanDerWaalsContact O-N 3.14Å; F951-G966 WeakPolarHBondContact CE2-O 3.31Å; F951-I968 HydrophobicContact CD1-CG1 4.48Å; F951-I968 HydrophobicContact CD2-CG1 3.98Å; F951-I968 HydrophobicContact CE1-CG1 4.45Å; F951-I968 HydrophobicContact CE2-CG1 3.87Å; F951-I968 HydrophobicContact CG-CG1 4.35Å; F951-I968 HydrophobicContact CZ-CD1 4.43Å; F951-I968 HydrophobicContact CZ-CG1 4.15Å; F951-V976 HydrophobicContact CD1-CB 4.47Å; F951-V976 HydrophobicContact CD1-CG1 3.81Å; F951-V976 HydrophobicContact CD1-CG2 4.22Å; F951-V976 HydrophobicContact CE1-CB 4.48Å; F951-V976 HydrophobicContact CE1-CG1 3.87Å; F951-I994 HydrophobicContact CE2-CB 4.45Å; F951-I994 HydrophobicContact CE2-CG1 4.31Å; F951-I994 HydrophobicContact CE2-CG2 4Å; F951-I994 HydrophobicContact CZ-CB 4.48Å; F951-I994 HydrophobicContact CZ-CG1 4.14Å; F951-I994 HydrophobicContact CZ-CG2 3.82Å; F951-L1002 HydrophobicContact CE1-CD1 4.25Å; F951-L1002 HydrophobicContact CZ-CD1 4.43Å
952	I	86.4	Confident	77	Confident	59 Å²	59	78.8 Å²	78.8	30%	0.303	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.6	173	-57.5	171.7	0	0	0	107.6	N950 T954 V962 L964 V976 L978	N950-I952 VanDerWaalsContact C-N 3.34Å; N950-I952 PolarHBondContact O-N 2.96Å; I952-T954 HydrophobicContact CG2-CG2 4.28Å; I952-V962 HydrophobicContact CG2-CG1 3.7Å; I952-L964 HydrophobicContact CG1-CB 4.46Å; I952-L964 HydrophobicContact CG1-CD1 3.79Å; I952-V976 HydrophobicContact CD1-CG1 4.08Å; I952-L978 HydrophobicContact CD1-CD2 3.84Å; I952-L978 HydrophobicContact CG1-CD2 4.39Å
953	Q	80.5	Confident	76.9	Confident	91.25 Å²	91.25	78.8 Å²	78.8	43%	0.426	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	107.1	175	-62.3	-178.2	5.5	0	0	108.9	T955 Y963	Q953-T955 PolarHBondContact O-N 3.04Å; Q953-Y963 WeakPolarHBondContact CB-O 3.48Å; Q953-Y963 PolarHBondContact N-O 3.31Å; Q953-Y963 PolarHBondContact O-N 2.99Å
954	T	68	Low	76.9	Confident	118 Å²	118	72.4 Å²	72.4	72%	0.724	40%	0.397	S	S	*	.			trans	-81.4	118.3	172.6	50.7	0	0	0	0	109.5	I952	I952-T954 HydrophobicContact CG2-CG2 4.28Å
955	T	59.1	Low	77	Confident	50 Å²	50	70.2 Å²	70.2	31%	0.307	39%	0.388	S	S	.	.			trans	-82.2	154.6	168.5	55.8	0	0	0	0	109.9	Q953 S957 E960 Y963	Q953-T955 PolarHBondContact O-N 3.04Å; T955-S957 PolarHBondContact O-N 3.05Å; T955-E960 WeakPolarHBondContact CB-OE2 3.36Å; T955-E960 VanDerWaalsContact CG2-OE2 3.25Å; T955-E960 WeakPolarHBondContact CG2-OE2 3.39Å; T955-E960 VanDerWaalsContact OG1-CB 3.22Å; T955-E960 WeakPolarHBondContact OG1-CB 3.38Å; T955-E960 PolarHBondContact OG1-OE2 2.96Å; T955-Y963 HydrophobicContact CG2-CD2 4.22Å; T955-Y963 HydrophobicContact CG2-CE2 4.35Å
956	T	55.2	Low	77.2	Confident	152.25 Å²	152.25	65.6 Å²	65.6	93%	0.934	36%	0.359	S	S	*	.	S	Bend	trans	-77.1	-10.7	-177.5	46.4	0	0	0	0	113.3
957	S	58.7	Low	77.2	Confident	46 Å²	46	65.4 Å²	65.4	32%	0.322	35%	0.349	S	S	.	.			trans	-98.7	126.9	-176	27.5	0	0	0	0	111.6	T955 N959 E960	T955-S957 PolarHBondContact O-N 3.05Å; S957-N959 PolarHBondContact O-N 2.99Å; S957-N959 VanDerWaalsContact O-N 3.1Å; S957-E960 VanDerWaalsContact CB-OE1 3.27Å; S957-E960 WeakPolarHBondContact CB-OE1 3.35Å; S957-E960 PolarHBondContact O-N 3.3Å; S957-E960 WeakPolarHBondContact OG-CB 3.34Å; S957-E960 WeakPolarHBondContact OG-CG 3.45Å; S957-E960 PolarHBondContact OG-OE1 2.85Å; S957-E960 PolarHBondContact OG-OE2 3.18Å
958	I	60	Low	77.2	Confident	160.75 Å²	160.75	62.5 Å²	62.5	82%	0.824	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-21.4	-178.6	-65.1	164.5	0	0	0	112.9	S986	I958-S986 PolarHBondContact O-OG 3.2Å
959	N	61.5	Low	77.3	Confident	150.5 Å²	150.5	59.5 Å²	59.5	81%	0.805	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	0.4	-173.7	-69.9	-12	0	0	0	114.7	S957	S957-N959 PolarHBondContact O-N 2.99Å; S957-N959 VanDerWaalsContact O-N 3.1Å
960	E	65.7	Low	77.3	Confident	92.75 Å²	92.75	60.2 Å²	60.2	43%	0.433	33%	0.325	S	S	.	.	S	Bend	trans	-90.8	149.4	177.7	-81.8	175.5	-148.8	0	0	112.1	T955 S957	T955-E960 WeakPolarHBondContact CB-OE2 3.36Å; T955-E960 VanDerWaalsContact CG2-OE2 3.25Å; T955-E960 WeakPolarHBondContact CG2-OE2 3.39Å; T955-E960 VanDerWaalsContact OG1-CB 3.22Å; T955-E960 WeakPolarHBondContact OG1-CB 3.38Å; T955-E960 PolarHBondContact OG1-OE2 2.96Å; S957-E960 VanDerWaalsContact CB-OE1 3.27Å; S957-E960 WeakPolarHBondContact CB-OE1 3.35Å; S957-E960 PolarHBondContact O-N 3.3Å; S957-E960 WeakPolarHBondContact OG-CB 3.34Å; S957-E960 WeakPolarHBondContact OG-CG 3.45Å; S957-E960 PolarHBondContact OG-OE1 2.85Å; S957-E960 PolarHBondContact OG-OE2 3.18Å
961	P	71.2	Confident	77.3	Confident	31.75 Å²	31.75	61.4 Å²	61.4	21%	0.206	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-65.3	138.3	174.8	28.2	-33.6	0	0	0	110.4	Y963 F987 R989	P961-Y963 HydrophobicContact CG-CE1 4.34Å; P961-Y963 HydrophobicContact CG-CE2 4.3Å; P961-Y963 VanDerWaalsContact O-CD2 3.28Å; P961-Y963 WeakPolarHBondContact O-CD2 3.41Å; P961-Y963 WeakPolarHBondContact O-CE2 3.37Å; P961-Y963 PolarHBondContact O-N 2.87Å; P961-F987 HydrophobicContact CB-CD2 4.15Å; P961-F987 HydrophobicContact CB-CE2 3.98Å; P961-F987 HydrophobicContact CB-CZ 3.93Å; P961-F987 HydrophobicContact CG-CE2 4.48Å; P961-R989 HydrophobicContact CB-CB 4.16Å
962	V	85.1	Confident	77.1	Confident	23.25 Å²	23.25	66.5 Å²	66.5	14%	0.141	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	119	172.9	177.9	0	0	0	0	108.4	I952 M981 F987 Y988 R989	I952-V962 HydrophobicContact CG2-CG1 3.7Å; V962-M981 HydrophobicContact CB-CE 4.45Å; V962-M981 HydrophobicContact CG2-CE 3.66Å; V962-M981 HydrophobicContact CG2-SD 4.34Å; V962-F987 PolarHBondContact N-O 2.85Å; V962-Y988 HydrophobicContact CB-CD1 3.91Å; V962-Y988 HydrophobicContact CB-CE1 4.12Å; V962-Y988 HydrophobicContact CG1-CD1 3.86Å; V962-Y988 HydrophobicContact CG1-CE1 3.87Å; V962-Y988 WeakPolarHBondContact O-CA 3.1Å; V962-R989 PolarHBondContact O-N 3.04Å
963	Y	88.4	Confident	76.9	Confident	65.25 Å²	65.25	66.5 Å²	66.5	26%	0.256	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136.1	-179.9	-61.7	-84.4	0	0	0	110.8	Q953 T955 P961 R989 T991	Q953-Y963 WeakPolarHBondContact CB-O 3.48Å; Q953-Y963 PolarHBondContact N-O 3.31Å; Q953-Y963 PolarHBondContact O-N 2.99Å; T955-Y963 HydrophobicContact CG2-CD2 4.22Å; T955-Y963 HydrophobicContact CG2-CE2 4.35Å; P961-Y963 HydrophobicContact CG-CE1 4.34Å; P961-Y963 HydrophobicContact CG-CE2 4.3Å; P961-Y963 VanDerWaalsContact O-CD2 3.28Å; P961-Y963 WeakPolarHBondContact O-CD2 3.41Å; P961-Y963 WeakPolarHBondContact O-CE2 3.37Å; P961-Y963 PolarHBondContact O-N 2.87Å; Y963-R989 WeakPolarHBondContact CA-O 3.29Å; Y963-R989 HydrophobicContact CD1-CB 4.32Å; Y963-R989 HydrophobicContact CD1-CG 4.35Å; Y963-R989 HydrophobicContact CE1-CG 4.41Å; Y963-T991 HydrophobicContact CD1-CG2 3.7Å; Y963-T991 HydrophobicContact CE1-CG2 4.26Å
964	L	89.7	Confident	77.2	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.021	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	163.4	175.1	88.9	113.2	0	0	0	112.3	F951 I952 L978 Y988 R989 V990 T991 I994 L1010	F951-L964 HydrophobicContact CD1-CD1 3.99Å; F951-L964 HydrophobicContact CE1-CD1 4.12Å; F951-L964 HydrophobicContact CE1-CD2 4.36Å; F951-L964 HydrophobicContact CE1-CG 4.01Å; F951-L964 HydrophobicContact CZ-CD1 4.17Å; F951-L964 HydrophobicContact CZ-CD2 4.22Å; F951-L964 HydrophobicContact CZ-CG 4.1Å; F951-L964 VanDerWaalsContact O-CA 3.28Å; F951-L964 WeakPolarHBondContact O-CA 3.43Å; F951-L964 WeakPolarHBondContact O-CB 3.19Å; I952-L964 HydrophobicContact CG1-CB 4.46Å; I952-L964 HydrophobicContact CG1-CD1 3.79Å; L964-L978 HydrophobicContact CD1-CD1 4.3Å; L964-L978 HydrophobicContact CD1-CD2 3.65Å; L964-L978 HydrophobicContact CD2-CD1 3.96Å; L964-L978 HydrophobicContact CD2-CD2 3.98Å; L964-Y988 VanDerWaalsContact CD2-CB 3.5Å; L964-Y988 HydrophobicContact CD2-CD1 3.81Å; L964-Y988 HydrophobicContact CD2-CE1 4.27Å; L964-Y988 HydrophobicContact CD2-CG 3.96Å; L964-R989 WeakPolarHBondContact CD2-O 3.3Å; L964-R989 PolarHBondContact N-O 3.17Å; L964-V990 HydrophobicContact CB-CG2 4.41Å; L964-V990 HydrophobicContact CD1-CB 4.34Å; L964-V990 HydrophobicContact CD1-CG1 4.18Å; L964-V990 HydrophobicContact CD1-CG2 3.86Å; L964-V990 HydrophobicContact CD2-CG2 4Å; L964-V990 HydrophobicContact CG-CB 4.31Å; L964-V990 HydrophobicContact CG-CG1 4.23Å; L964-V990 HydrophobicContact CG-CG2 4.04Å; L964-V990 WeakPolarHBondContact O-CA 3.4Å; L964-T991 PolarHBondContact O-N 3.17Å; L964-T991 VanDerWaalsContact O-N 3.09Å; L964-I994 HydrophobicContact CD1-CD1 3.57Å; L964-I994 HydrophobicContact CD1-CG1 3.97Å; L964-I994 HydrophobicContact CD2-CD1 3.49Å; L964-I994 VanDerWaalsContact CD2-CD1 3.49Å; L964-I994 HydrophobicContact CD2-CG1 3.94Å; L964-L1010 HydrophobicContact CD1-CD2 4.15Å; L964-L1010 HydrophobicContact CD2-CD2 4Å
965	G	89.6	Confident	78.3	Confident	6.75 Å²	6.75	68.3 Å²	68.3	7%	0.07	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.4	175.6	170.2	0	0	0	0	0	112.8	F951 K992	F951-G965 PolarHBondContact O-N 3.13Å; F951-G965 VanDerWaalsContact O-N 3.14Å; G965-K992 VanDerWaalsContact CA-O 3.31Å; G965-K992 WeakPolarHBondContact CA-O 3.27Å
966	G	89.5	Confident	79.8	Confident	2.75 Å²	2.75	66.8 Å²	66.8	3%	0.028	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.1	-171.5	-174.3	0	0	0	0	0	112.1	N916 F951 D993 F995	N916-G966 VanDerWaalsContact O-CA 3.27Å; N916-G966 WeakPolarHBondContact O-CA 3.29Å; F951-G966 WeakPolarHBondContact CE2-O 3.31Å; G966-D993 CarbonylContact C-O 3.43Å; G966-D993 VanDerWaalsContact CA-O 3.24Å; G966-D993 WeakPolarHBondContact CA-O 3.35Å; G966-D993 PolarHBondContact N-O 3.11Å; G966-F995 PolarHBondContact O-N 3.12Å
967	R	88.1	Confident	81.6	Confident	61.25 Å²	61.25	62.8 Å²	62.8	23%	0.231	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.5	177.3	-178.1	179.1	171.8	-87.6	11.5	110.7	P969 E971 F995 P997	R967-P969 WeakPolarHBondContact O-CD 3.32Å; R967-E971 IonicContact CZ-OE1 3.19Å; R967-E971 VanDerWaalsContact CZ-OE1 3.28Å; R967-E971 IonicContact CZ-OE2 3.21Å; R967-E971 VanDerWaalsContact NH1-CD 3.32Å; R967-E971 IonicContact NH1-OE1 2.75Å; R967-E971 PolarHBondContact NH1-OE1 3.1Å; R967-E971 IonicContact NH1-OE2 3.33Å; R967-E971 PolarHBondContact NH1-OE2 2.96Å; R967-E971 IonicContact NH2-OE1 3.14Å; R967-E971 PolarHBondContact NH2-OE1 3.13Å; R967-E971 IonicContact NH2-OE2 3.37Å; R967-F995 WeakPolarHBondContact CA-O 3.46Å; R967-F995 HydrophobicContact CB-CB 4.47Å; R967-F995 HydrophobicContact CB-CD1 4.02Å; R967-F995 HydrophobicContact CG-CD1 3.77Å; R967-F995 HydrophobicContact CG-CE1 4.27Å; R967-P997 HydrophobicContact CG-CG 4.22Å
968	I	89.1	Confident	83.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.297	C	S	.	.			trans	-62.5	122.3	168.9	-67.4	-176.8	0	0	0	108.9	F951 I970 V976 F995 I996 L1002	F951-I968 HydrophobicContact CD1-CG1 4.48Å; F951-I968 HydrophobicContact CD2-CG1 3.98Å; F951-I968 HydrophobicContact CE1-CG1 4.45Å; F951-I968 HydrophobicContact CE2-CG1 3.87Å; F951-I968 HydrophobicContact CG-CG1 4.35Å; F951-I968 HydrophobicContact CZ-CD1 4.43Å; F951-I968 HydrophobicContact CZ-CG1 4.15Å; I968-I970 VanDerWaalsContact C-N 3.29Å; I968-I970 HydrophobicContact CG2-CG1 4.43Å; I968-I970 HydrophobicContact CG2-CG2 4.33Å; I968-I970 PolarHBondContact O-N 3.08Å; I968-V976 HydrophobicContact CD1-CB 4.41Å; I968-V976 HydrophobicContact CD1-CG2 4.3Å; I968-V976 HydrophobicContact CG1-CG2 4.38Å; I968-V976 HydrophobicContact CG2-CG2 3.91Å; I968-F995 PolarHBondContact N-O 3.11Å; I968-I996 HydrophobicContact CD1-CB 4.38Å; I968-I996 HydrophobicContact CD1-CG1 3.85Å; I968-I996 HydrophobicContact CD1-CG2 4.25Å; I968-L1002 HydrophobicContact CD1-CB 4Å; I968-L1002 HydrophobicContact CD1-CD1 4.36Å
969	P	85.1	Confident	84.7	Confident	10.25 Å²	10.25	58.9 Å²	58.9	7%	0.067	28%	0.284	C	S	.	.			trans	-77.9	79.4	-178.6	32.6	-35.2	0	0	0	110	I948 R967 E971 Q972 S973	I948-P969 HydrophobicContact CG2-CB 3.88Å; R967-P969 WeakPolarHBondContact O-CD 3.32Å; P969-E971 WeakPolarHBondContact CA-OE2 3.2Å; P969-E971 PolarHBondContact O-N 3.1Å; P969-E971 VanDerWaalsContact O-N 3.09Å; P969-Q972 HydrophobicContact CB-CB 4.28Å; P969-Q972 HydrophobicContact CB-CG 4.21Å; P969-Q972 HydrophobicContact CG-CB 4.39Å; P969-Q972 WeakPolarHBondContact O-CA 3.37Å; P969-Q972 PolarHBondContact O-N 3.18Å; P969-S973 PolarHBondContact O-N 3.23Å; P969-S973 VanDerWaalsContact O-O 3.13Å
970	I	83.2	Confident	85.9	Confident	39 Å²	39	54.7 Å²	54.7	20%	0.2	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.9	177.5	37.5	172.3	0	0	0	112.8	I968 Q972 S973 R974 P997 P998	I968-I970 VanDerWaalsContact C-N 3.29Å; I968-I970 HydrophobicContact CG2-CG1 4.43Å; I968-I970 HydrophobicContact CG2-CG2 4.33Å; I968-I970 PolarHBondContact O-N 3.08Å; I970-Q972 VanDerWaalsContact C-N 3.28Å; I970-Q972 PolarHBondContact O-N 3.03Å; I970-S973 WeakPolarHBondContact CA-O 3.42Å; I970-R974 HydrophobicContact CG2-CG 4.11Å; I970-P997 HydrophobicContact CB-CG 4.46Å; I970-P997 HydrophobicContact CD1-CB 3.97Å; I970-P997 HydrophobicContact CD1-CG 3.98Å; I970-P997 VanDerWaalsContact CD1-CG 3.43Å; I970-P997 HydrophobicContact CG1-CB 4.49Å; I970-P997 HydrophobicContact CG1-CG 4.2Å; I970-P997 HydrophobicContact CG2-CG 3.6Å; I970-P998 WeakPolarHBondContact CD1-O 3.45Å
971	E	82.8	Confident	86.8	Confident	115.75 Å²	115.75	52.8 Å²	52.8	54%	0.541	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.2	173.9	-56.1	80.3	-173.9	0	0	112.6	R967 P969	R967-E971 IonicContact CZ-OE1 3.19Å; R967-E971 VanDerWaalsContact CZ-OE1 3.28Å; R967-E971 IonicContact CZ-OE2 3.21Å; R967-E971 VanDerWaalsContact NH1-CD 3.32Å; R967-E971 IonicContact NH1-OE1 2.75Å; R967-E971 PolarHBondContact NH1-OE1 3.1Å; R967-E971 IonicContact NH1-OE2 3.33Å; R967-E971 PolarHBondContact NH1-OE2 2.96Å; R967-E971 IonicContact NH2-OE1 3.14Å; R967-E971 PolarHBondContact NH2-OE1 3.13Å; R967-E971 IonicContact NH2-OE2 3.37Å; P969-E971 WeakPolarHBondContact CA-OE2 3.2Å; P969-E971 PolarHBondContact O-N 3.1Å; P969-E971 VanDerWaalsContact O-N 3.09Å
972	Q	82.9	Confident	87.1	Confident	115.75 Å²	115.75	61 Å²	61	54%	0.541	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-49.8	178.4	-63.8	176.6	-13.7	0	0	111.5	P969 I970	P969-Q972 HydrophobicContact CB-CB 4.28Å; P969-Q972 HydrophobicContact CB-CG 4.21Å; P969-Q972 HydrophobicContact CG-CB 4.39Å; P969-Q972 WeakPolarHBondContact O-CA 3.37Å; P969-Q972 PolarHBondContact O-N 3.18Å; I970-Q972 VanDerWaalsContact C-N 3.28Å; I970-Q972 PolarHBondContact O-N 3.03Å
973	S	82.1	Confident	86.8	Confident	59.25 Å²	59.25	63.4 Å²	63.4	41%	0.414	30%	0.304	S	S	.	.			trans	-147.6	128.6	176.2	-177.4	0	0	0	0	109.9	P969 I970 E975	P969-S973 PolarHBondContact O-N 3.23Å; P969-S973 VanDerWaalsContact O-O 3.13Å; I970-S973 WeakPolarHBondContact CA-O 3.42Å; S973-E975 VanDerWaalsContact C-N 3.25Å; S973-E975 PolarHBondContact O-N 3.15Å; S973-E975 PolarHBondContact OG-N 2.91Å; S973-E975 PolarHBondContact OG-O 3.14Å
974	R	85.5	Confident	86	Confident	175.25 Å²	175.25	65.1 Å²	65.1	66%	0.661	32%	0.323	S	S	*	.	S	Bend	trans	-69.9	-20.9	174.9	-65.6	-172.9	179.5	-177.5	-0.9	112.9	I970 G1000 R1001	I970-R974 HydrophobicContact CG2-CG 4.11Å; R974-G1000 CarbonylContact O-C 3.51Å; R974-G1000 WeakPolarHBondContact O-CA 3.31Å; R974-R1001 PolarHBondContact O-N 3.07Å
975	E	90.9	Very high	85.2	Confident	70.75 Å²	70.75	73.4 Å²	73.4	33%	0.331	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.3	-174.8	-172.4	175.9	106.6	0	0	111.3	S973 I977 R1001 I1003	S973-E975 VanDerWaalsContact C-N 3.25Å; S973-E975 PolarHBondContact O-N 3.15Å; S973-E975 PolarHBondContact OG-N 2.91Å; S973-E975 PolarHBondContact OG-O 3.14Å; E975-I977 HydrophobicContact CG-CG1 4.17Å; E975-I977 WeakPolarHBondContact OE1-CD1 3.25Å; E975-I977 WeakPolarHBondContact OE1-CG1 3.48Å; E975-R1001 WeakPolarHBondContact CA-O 3.31Å; E975-R1001 HydrophobicContact CB-CB 4.41Å; E975-R1001 HydrophobicContact CG-CB 4.27Å; E975-R1001 HydrophobicContact CG-CG 4.3Å; E975-R1001 WeakPolarHBondContact OE2-CD 3.05Å; E975-R1001 IonicContact OE2-CZ 3.45Å; E975-R1001 IonicContact OE2-NE 3.05Å; E975-R1001 IonicContact OE2-NH1 3.79Å; E975-R1001 PolarHBondContact OE2-NH1 3.22Å; E975-I1003 HydrophobicContact CG-CD1 4.19Å; E975-I1003 HydrophobicContact CG-CG1 4.49Å; E975-I1003 WeakPolarHBondContact OE1-CD1 3.49Å; E975-I1003 WeakPolarHBondContact OE2-CD1 3.23Å
976	V	91.7	Very high	84.8	Confident	19.5 Å²	19.5	74.6 Å²	74.6	12%	0.118	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.6	169.2	177.6	0	0	0	0	108.6	F951 I952 I968 L978 R1001 L1002 I1003	F951-V976 HydrophobicContact CD1-CB 4.47Å; F951-V976 HydrophobicContact CD1-CG1 3.81Å; F951-V976 HydrophobicContact CD1-CG2 4.22Å; F951-V976 HydrophobicContact CE1-CB 4.48Å; F951-V976 HydrophobicContact CE1-CG1 3.87Å; I952-V976 HydrophobicContact CD1-CG1 4.08Å; I968-V976 HydrophobicContact CD1-CB 4.41Å; I968-V976 HydrophobicContact CD1-CG2 4.3Å; I968-V976 HydrophobicContact CG1-CG2 4.38Å; I968-V976 HydrophobicContact CG2-CG2 3.91Å; V976-L978 HydrophobicContact CG1-CD2 4.25Å; V976-R1001 PolarHBondContact N-O 3.26Å; V976-L1002 HydrophobicContact CB-CD1 3.96Å; V976-L1002 HydrophobicContact CG1-CD1 3.93Å; V976-L1002 WeakPolarHBondContact O-CA 3.4Å; V976-I1003 PolarHBondContact O-N 3.16Å
977	I	92.6	Very high	84.7	Confident	67.75 Å²	67.75	76.5 Å²	76.5	35%	0.347	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.3	177.3	-53.2	177.2	0	0	0	108.9	E975 K979 I1003 Q1005	E975-I977 HydrophobicContact CG-CG1 4.17Å; E975-I977 WeakPolarHBondContact OE1-CD1 3.25Å; E975-I977 WeakPolarHBondContact OE1-CG1 3.48Å; I977-K979 HydrophobicContact CG2-CG 4.22Å; I977-I1003 CarbonylContact C-O 3.51Å; I977-I1003 WeakPolarHBondContact CA-O 3.31Å; I977-I1003 HydrophobicContact CG1-CB 4.31Å; I977-I1003 HydrophobicContact CG1-CD1 4.34Å; I977-I1003 HydrophobicContact CG2-CB 4.46Å; I977-Q1005 HydrophobicContact CG2-CG 4.03Å
978	L	92.9	Very high	84.9	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.5	170.5	-58.4	-174.7	0	0	0	109.2	I952 L964 V976 Y988 L1002 I1003 I1004 Q1005 V1008 L1010	I952-L978 HydrophobicContact CD1-CD2 3.84Å; I952-L978 HydrophobicContact CG1-CD2 4.39Å; L964-L978 HydrophobicContact CD1-CD1 4.3Å; L964-L978 HydrophobicContact CD1-CD2 3.65Å; L964-L978 HydrophobicContact CD2-CD1 3.96Å; L964-L978 HydrophobicContact CD2-CD2 3.98Å; V976-L978 HydrophobicContact CG1-CD2 4.25Å; L978-Y988 HydrophobicContact CB-CE2 4.4Å; L978-L1002 HydrophobicContact CD1-CD1 4.34Å; L978-L1002 HydrophobicContact CG-CD1 4.11Å; L978-I1003 PolarHBondContact N-O 3.03Å; L978-I1004 HydrophobicContact CB-CG1 4.48Å; L978-I1004 HydrophobicContact CD1-CD1 4.21Å; L978-I1004 HydrophobicContact CD1-CG1 4.18Å; L978-Q1005 WeakPolarHBondContact O-CB 3.28Å; L978-Q1005 WeakPolarHBondContact O-CG 3.19Å; L978-Q1005 PolarHBondContact O-N 3.12Å; L978-Q1005 VanDerWaalsContact O-N 3.09Å; L978-V1008 HydrophobicContact CB-CG1 4.39Å; L978-L1010 HydrophobicContact CD1-CD2 4Å
979	K	91.1	Very high	85	Confident	125.75 Å²	125.75	76.5 Å²	76.5	55%	0.547	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-100.3	150.8	-179.5	-57.8	-171.4	178.7	176.5	0	110.5	I977 Y988	I977-K979 HydrophobicContact CG2-CG 4.22Å; K979-Y988 VanDerWaalsContact O-CE2 3.27Å; K979-Y988 WeakPolarHBondContact O-CE2 3.31Å; K979-Y988 PolarHBondContact O-OH 3.02Å
980	P	87.5	Confident	85.4	Confident	61.5 Å²	61.5	76 Å²	76	40%	0.399	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-59.9	141.9	173.4	25.9	-34.5	0	0	0	110.9	A1007 V1008	P980-A1007 HydrophobicContact CB-CB 4.16Å; P980-V1008 HydrophobicContact CB-CG2 4.5Å
981	M	83.1	Confident	85.7	Confident	53 Å²	53	75.6 Å²	75.6	26%	0.261	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-76.7	148.1	177.7	-62.3	-174.7	74.9	0	0	110.6	V962 N983 S986 F987 Y988	V962-M981 HydrophobicContact CB-CE 4.45Å; V962-M981 HydrophobicContact CG2-CE 3.66Å; V962-M981 HydrophobicContact CG2-SD 4.34Å; M981-N983 VanDerWaalsContact C-N 3.29Å; M981-N983 PolarHBondContact O-N 3.03Å; M981-S986 VanDerWaalsContact CE-CB 3.42Å; M981-S986 VanDerWaalsContact SD-C 3.6Å; M981-S986 VanDerWaalsContact SD-CB 3.55Å; M981-F987 VanDerWaalsContact SD-C 3.54Å; M981-F987 PolarHBondContact SD-N 2.85Å; M981-F987 VanDerWaalsContact SD-N 3.36Å; M981-Y988 HydrophobicContact CG-CD2 4.38Å; M981-Y988 HydrophobicContact CG-CE2 4.08Å; M981-Y988 HydrophobicContact SD-CD2 4.42Å; M981-Y988 HydrophobicContact SD-CE2 4.44Å
982	Q	78.3	Confident	86.1	Confident	204.5 Å²	204.5	71.7 Å²	71.7	96%	0.956	35%	0.351	S	S	*	.	S	Bend	trans	-60	-37.9	-178.1	-69.7	-179.4	-8.2	0	0	112.9
983	N	78.2	Confident	86.6	Confident	74.25 Å²	74.25	66.3 Å²	66.3	40%	0.397	33%	0.326	S	S	.	.	S	Bend	trans	-88.6	120	174.2	178.9	-5.3	0	0	0	109.5	M981 K985 S986	M981-N983 VanDerWaalsContact C-N 3.29Å; M981-N983 PolarHBondContact O-N 3.03Å; N983-K985 PolarHBondContact O-N 2.97Å; N983-K985 VanDerWaalsContact O-N 3.14Å; N983-K985 WeakPolarHBondContact OD1-CB 3.49Å; N983-K985 PolarHBondContact OD1-N 2.94Å; N983-S986 WeakPolarHBondContact CB-OG 3.33Å; N983-S986 PolarHBondContact ND2-OG 3.17Å; N983-S986 WeakPolarHBondContact O-CB 3.29Å; N983-S986 PolarHBondContact O-N 3.01Å
984	P	71.4	Confident	87.2	Confident	99.5 Å²	99.5	63.5 Å²	63.5	65%	0.646	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.6	-178.3	26.4	-34.8	0	0	0	114.2	K1009	P984-K1009 PolarHBondContact O-NZ 3.25Å; P984-K1009 VanDerWaalsContact O-NZ 3.08Å
985	K	73.5	Confident	87.5	Confident	179.5 Å²	179.5	55.9 Å²	55.9	78%	0.78	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-16.1	171.5	-66.1	-172.4	178	-176.4	0	113.1	N983 F987	N983-K985 PolarHBondContact O-N 2.97Å; N983-K985 VanDerWaalsContact O-N 3.14Å; N983-K985 WeakPolarHBondContact OD1-CB 3.49Å; N983-K985 PolarHBondContact OD1-N 2.94Å; K985-F987 WeakPolarHBondContact O-CD1 3.37Å
986	S	81.6	Confident	87.5	Confident	31 Å²	31	52.5 Å²	52.5	22%	0.217	26%	0.262	C	S	.	.			trans	-78.6	153.8	177.9	-60.2	0	0	0	0	111.2	I958 M981 N983	I958-S986 PolarHBondContact O-OG 3.2Å; M981-S986 VanDerWaalsContact CE-CB 3.42Å; M981-S986 VanDerWaalsContact SD-C 3.6Å; M981-S986 VanDerWaalsContact SD-CB 3.55Å; N983-S986 WeakPolarHBondContact CB-OG 3.33Å; N983-S986 PolarHBondContact ND2-OG 3.17Å; N983-S986 WeakPolarHBondContact O-CB 3.29Å; N983-S986 PolarHBondContact O-N 3.01Å
987	F	87.3	Confident	87.3	Confident	42 Å²	42	51.8 Å²	51.8	18%	0.184	26%	0.258	C	S	.	.			trans	-149.1	161.8	-177.4	56.9	-92.2	0	0	0	110.6	P961 V962 M981 K985 R989 K1009 F1011 Y1039 V1042	P961-F987 HydrophobicContact CB-CD2 4.15Å; P961-F987 HydrophobicContact CB-CE2 3.98Å; P961-F987 HydrophobicContact CB-CZ 3.93Å; P961-F987 HydrophobicContact CG-CE2 4.48Å; V962-F987 PolarHBondContact N-O 2.85Å; M981-F987 VanDerWaalsContact SD-C 3.54Å; M981-F987 PolarHBondContact SD-N 2.85Å; M981-F987 VanDerWaalsContact SD-N 3.36Å; K985-F987 WeakPolarHBondContact O-CD1 3.37Å; F987-R989 HydrophobicContact CE2-CB 4.37Å; F987-K1009 HydrophobicContact CB-CB 4Å; F987-F1011 HydrophobicContact CB-CD2 3.54Å; F987-F1011 VanDerWaalsContact CB-CD2 3.43Å; F987-F1011 HydrophobicContact CB-CE2 3.73Å; F987-F1011 HydrophobicContact CD1-CD2 4.28Å; F987-F1011 HydrophobicContact CD1-CE2 4.28Å; F987-F1011 HydrophobicContact CD2-CB 3.9Å; F987-F1011 AromaticContact CD2-CD2 3.52Å; F987-F1011 HydrophobicContact CD2-CD2 3.52Å; F987-F1011 VanDerWaalsContact CD2-CD2 3.5Å; F987-F1011 HydrophobicContact CD2-CE2 4.24Å; F987-F1011 AromaticContact CD2-CG 3.9Å; F987-F1011 HydrophobicContact CD2-CG 3.93Å; F987-F1011 HydrophobicContact CE2-CB 4.18Å; F987-F1011 HydrophobicContact CE2-CD2 4.32Å; F987-F1011 HydrophobicContact CE2-CG 4.36Å; F987-F1011 HydrophobicContact CG-CB 4.5Å; F987-F1011 AromaticContact CG-CD2 3.5Å; F987-F1011 HydrophobicContact CG-CD2 3.5Å; F987-F1011 VanDerWaalsContact CG-CD2 3.45Å; F987-F1011 AromaticContact CG-CE2 3.8Å; F987-F1011 HydrophobicContact CG-CE2 3.85Å; F987-F1011 HydrophobicContact CG-CG 4.3Å; F987-Y1039 AromaticContact CE2-CD2 3.94Å; F987-Y1039 HydrophobicContact CE2-CD2 4.05Å; F987-Y1039 AromaticContact CE2-CE2 3.88Å; F987-Y1039 HydrophobicContact CE2-CE2 3.93Å; F987-Y1039 HydrophobicContact CZ-CD2 4.24Å; F987-Y1039 AromaticContact CZ-CE2 3.88Å; F987-Y1039 HydrophobicContact CZ-CE2 3.92Å; F987-V1042 HydrophobicContact CE1-CG1 3.69Å; F987-V1042 HydrophobicContact CE1-CG2 4.05Å; F987-V1042 HydrophobicContact CE2-CG2 4.23Å; F987-V1042 HydrophobicContact CZ-CB 4.31Å; F987-V1042 HydrophobicContact CZ-CG1 3.69Å; F987-V1042 HydrophobicContact CZ-CG2 3.88Å
988	Y	91.6	Very high	86.9	Confident	25.25 Å²	25.25	50.8 Å²	50.8	10%	0.099	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.3	172.3	-71.7	-77.4	0	0	0	110	V962 L964 L978 K979 M981 V1008 K1009 L1010 F1011	V962-Y988 HydrophobicContact CB-CD1 3.91Å; V962-Y988 HydrophobicContact CB-CE1 4.12Å; V962-Y988 HydrophobicContact CG1-CD1 3.86Å; V962-Y988 HydrophobicContact CG1-CE1 3.87Å; V962-Y988 WeakPolarHBondContact O-CA 3.1Å; L964-Y988 VanDerWaalsContact CD2-CB 3.5Å; L964-Y988 HydrophobicContact CD2-CD1 3.81Å; L964-Y988 HydrophobicContact CD2-CE1 4.27Å; L964-Y988 HydrophobicContact CD2-CG 3.96Å; L978-Y988 HydrophobicContact CB-CE2 4.4Å; K979-Y988 VanDerWaalsContact O-CE2 3.27Å; K979-Y988 WeakPolarHBondContact O-CE2 3.31Å; K979-Y988 PolarHBondContact O-OH 3.02Å; M981-Y988 HydrophobicContact CG-CD2 4.38Å; M981-Y988 HydrophobicContact CG-CE2 4.08Å; M981-Y988 HydrophobicContact SD-CD2 4.42Å; M981-Y988 HydrophobicContact SD-CE2 4.44Å; Y988-V1008 HydrophobicContact CD2-CG1 3.7Å; Y988-V1008 HydrophobicContact CE2-CG1 3.83Å; Y988-K1009 WeakPolarHBondContact CB-O 3.35Å; Y988-K1009 PolarHBondContact N-O 3.08Å; Y988-L1010 WeakPolarHBondContact O-CA 3.27Å; Y988-F1011 PolarHBondContact O-N 2.89Å
989	R	91.3	Very high	86.5	Confident	36 Å²	36	54.9 Å²	54.9	14%	0.136	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.3	175.9	-174.3	174.2	173.6	-167.2	-2.8	110.6	P961 V962 Y963 L964 F987 T991 F1011 D1013 Y1039 Q1041	P961-R989 HydrophobicContact CB-CB 4.16Å; V962-R989 PolarHBondContact O-N 3.04Å; Y963-R989 WeakPolarHBondContact CA-O 3.29Å; Y963-R989 HydrophobicContact CD1-CB 4.32Å; Y963-R989 HydrophobicContact CD1-CG 4.35Å; Y963-R989 HydrophobicContact CE1-CG 4.41Å; L964-R989 WeakPolarHBondContact CD2-O 3.3Å; L964-R989 PolarHBondContact N-O 3.17Å; F987-R989 HydrophobicContact CE2-CB 4.37Å; R989-T991 HydrophobicContact CG-CG2 4.18Å; R989-F1011 CarbonylContact C-O 3.58Å; R989-F1011 WeakPolarHBondContact CA-O 3.42Å; R989-D1013 IonicContact CZ-OD1 2.94Å; R989-D1013 VanDerWaalsContact CZ-OD1 3.23Å; R989-D1013 IonicContact CZ-OD2 3.74Å; R989-D1013 IonicContact NE-OD1 3.59Å; R989-D1013 PolarHBondContact NE-OD1 3.25Å; R989-D1013 VanDerWaalsContact NE-OD1 3.08Å; R989-D1013 IonicContact NE-OD2 3.55Å; R989-D1013 VanDerWaalsContact NH2-CG 3.26Å; R989-D1013 IonicContact NH2-OD1 3.65Å; R989-D1013 PolarHBondContact NH2-OD1 3.09Å; R989-D1013 IonicContact NH2-OD2 2.82Å; R989-D1013 PolarHBondContact NH2-OD2 3.39Å; R989-Y1039 HydrophobicContact CG-CD2 4.18Å; R989-Y1039 HydrophobicContact CG-CE2 4.42Å; R989-Q1041 VanDerWaalsContact NH2-NE2 3.17Å
990	V	93.3	Very high	86.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.9	-178.8	-164.4	0	0	0	0	109.8	L964 K992 I994 L1010 F1011 F1012 D1013 V1016	L964-V990 HydrophobicContact CB-CG2 4.41Å; L964-V990 HydrophobicContact CD1-CB 4.34Å; L964-V990 HydrophobicContact CD1-CG1 4.18Å; L964-V990 HydrophobicContact CD1-CG2 3.86Å; L964-V990 HydrophobicContact CD2-CG2 4Å; L964-V990 HydrophobicContact CG-CB 4.31Å; L964-V990 HydrophobicContact CG-CG1 4.23Å; L964-V990 HydrophobicContact CG-CG2 4.04Å; L964-V990 WeakPolarHBondContact O-CA 3.4Å; V990-K992 VanDerWaalsContact CG1-O 3.28Å; V990-K992 WeakPolarHBondContact CG1-O 3.29Å; V990-I994 HydrophobicContact CG1-CD1 3.88Å; V990-I994 HydrophobicContact CG1-CG1 3.8Å; V990-I994 HydrophobicContact CG2-CD1 4.28Å; V990-L1010 HydrophobicContact CG2-CB 4.14Å; V990-L1010 HydrophobicContact CG2-CD2 3.93Å; V990-F1011 PolarHBondContact N-O 2.95Å; V990-F1012 HydrophobicContact CB-CB 4.44Å; V990-F1012 HydrophobicContact CB-CD1 3.6Å; V990-F1012 HydrophobicContact CB-CD2 4.43Å; V990-F1012 HydrophobicContact CB-CE1 3.85Å; V990-F1012 HydrophobicContact CB-CG 3.93Å; V990-F1012 HydrophobicContact CB-CZ 4.35Å; V990-F1012 HydrophobicContact CG1-CD1 3.69Å; V990-F1012 HydrophobicContact CG1-CE1 3.67Å; V990-F1012 HydrophobicContact CG1-CG 4.45Å; V990-F1012 HydrophobicContact CG1-CZ 4.44Å; V990-F1012 HydrophobicContact CG2-CD1 3.93Å; V990-F1012 HydrophobicContact CG2-CD2 4.1Å; V990-F1012 HydrophobicContact CG2-CE1 3.79Å; V990-F1012 HydrophobicContact CG2-CE2 3.92Å; V990-F1012 HydrophobicContact CG2-CG 4.07Å; V990-F1012 HydrophobicContact CG2-CZ 3.78Å; V990-D1013 PolarHBondContact O-N 2.89Å; V990-V1016 HydrophobicContact CG1-CG1 3.96Å
991	T	89.7	Confident	86.7	Confident	31.5 Å²	31.5	49.7 Å²	49.7	19%	0.193	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-17.9	-174	58.5	0	0	0	0	113.8	R918 Y963 L964 R989 D1013	R918-T991 PolarHBondContact NH1-O 3.13Å; Y963-T991 HydrophobicContact CD1-CG2 3.7Å; Y963-T991 HydrophobicContact CE1-CG2 4.26Å; L964-T991 PolarHBondContact O-N 3.17Å; L964-T991 VanDerWaalsContact O-N 3.09Å; R989-T991 HydrophobicContact CG-CG2 4.18Å; T991-D1013 WeakPolarHBondContact CG2-OD2 3.41Å
992	K	91.6	Very high	87.2	Confident	34.25 Å²	34.25	47.2 Å²	47.2	15%	0.149	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.3	176.6	-58	-174.7	-171.2	-161.1	0	109	H917 G965 V990 I994 V1016	H917-K992 PolarHBondContact CD2-NZ 2.78Å; H917-K992 WeakPolarHBondContact NE2-CE 3.21Å; H917-K992 PolarHBondContact NE2-NZ 3.27Å; G965-K992 VanDerWaalsContact CA-O 3.31Å; G965-K992 WeakPolarHBondContact CA-O 3.27Å; V990-K992 VanDerWaalsContact CG1-O 3.28Å; V990-K992 WeakPolarHBondContact CG1-O 3.29Å; K992-I994 PolarHBondContact O-N 3.07Å; K992-V1016 VanDerWaalsContact C-CG1 3.42Å; K992-V1016 VanDerWaalsContact O-CG1 3.31Å; K992-V1016 WeakPolarHBondContact O-CG1 3.28Å
993	D	93.4	Very high	88	Confident	2.25 Å²	2.25	38.8 Å²	38.8	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	132.1	179.2	-77.3	-6.4	0	0	0	109.6	R842 H917 R918 Y919 G966 F995 V1016 G1017	R842-D993 IonicContact CZ-OD1 3.55Å; R842-D993 IonicContact CZ-OD2 3.18Å; R842-D993 VanDerWaalsContact CZ-OD2 3.27Å; R842-D993 VanDerWaalsContact NH1-CG 3.33Å; R842-D993 IonicContact NH1-OD1 2.86Å; R842-D993 PolarHBondContact NH1-OD1 3.15Å; R842-D993 VanDerWaalsContact NH1-OD1 3.08Å; R842-D993 IonicContact NH1-OD2 3.15Å; R842-D993 PolarHBondContact NH1-OD2 3.08Å; R842-D993 IonicContact NH2-OD2 3.36Å; R842-D993 PolarHBondContact NH2-OD2 3.19Å; H917-D993 PolarHBondContact O-N 3.1Å; H917-D993 VanDerWaalsContact O-N 3.1Å; R918-D993 VanDerWaalsContact CA-OD2 3.28Å; R918-D993 WeakPolarHBondContact CA-OD2 3.16Å; Y919-D993 HydrophobicContact CD1-CB 4.23Å; Y919-D993 VanDerWaalsContact CD1-OD2 3.26Å; Y919-D993 WeakPolarHBondContact CD1-OD2 3.36Å; Y919-D993 PolarHBondContact N-OD2 2.86Å; Y919-D993 VanDerWaalsContact N-OD2 3.13Å; G966-D993 CarbonylContact C-O 3.43Å; G966-D993 VanDerWaalsContact CA-O 3.24Å; G966-D993 WeakPolarHBondContact CA-O 3.35Å; G966-D993 PolarHBondContact N-O 3.11Å; D993-F995 PolarHBondContact O-N 3.26Å; D993-V1016 WeakPolarHBondContact OD1-CA 3.38Å; D993-G1017 CarbonylContact C-O 3.58Å; D993-G1017 VanDerWaalsContact CA-O 3.31Å; D993-G1017 WeakPolarHBondContact CA-O 3.34Å; D993-G1017 PolarHBondContact OD1-N 3.09Å
994	I	94.6	Very high	88.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	110.8	171.8	-65.2	167.6	0	0	0	106.6	F951 L964 V990 K992 I996 L1002 L1010 F1012 G1017 L1018 F1019	F951-I994 HydrophobicContact CE2-CB 4.45Å; F951-I994 HydrophobicContact CE2-CG1 4.31Å; F951-I994 HydrophobicContact CE2-CG2 4Å; F951-I994 HydrophobicContact CZ-CB 4.48Å; F951-I994 HydrophobicContact CZ-CG1 4.14Å; F951-I994 HydrophobicContact CZ-CG2 3.82Å; L964-I994 HydrophobicContact CD1-CD1 3.57Å; L964-I994 HydrophobicContact CD1-CG1 3.97Å; L964-I994 HydrophobicContact CD2-CD1 3.49Å; L964-I994 VanDerWaalsContact CD2-CD1 3.49Å; L964-I994 HydrophobicContact CD2-CG1 3.94Å; V990-I994 HydrophobicContact CG1-CD1 3.88Å; V990-I994 HydrophobicContact CG1-CG1 3.8Å; V990-I994 HydrophobicContact CG2-CD1 4.28Å; K992-I994 PolarHBondContact O-N 3.07Å; I994-I996 HydrophobicContact CG2-CG1 4.28Å; I994-L1002 HydrophobicContact CG2-CD2 3.82Å; I994-L1010 HydrophobicContact CD1-CD2 4.18Å; I994-F1012 HydrophobicContact CD1-CE1 4.09Å; I994-F1012 HydrophobicContact CD1-CZ 4.15Å; I994-G1017 PolarHBondContact N-O 3.1Å; I994-L1018 HydrophobicContact CB-CB 4.31Å; I994-L1018 HydrophobicContact CB-CD1 4.4Å; I994-L1018 HydrophobicContact CB-CG 3.91Å; I994-L1018 HydrophobicContact CD1-CD1 4.16Å; I994-L1018 HydrophobicContact CD1-CG 4.35Å; I994-L1018 HydrophobicContact CG2-CD1 4.29Å; I994-L1018 HydrophobicContact CG2-CG 3.86Å; I994-L1018 WeakPolarHBondContact O-CA 3.13Å; I994-F1019 PolarHBondContact O-N 3.1Å
995	F	91.8	Very high	89.9	Confident	15.75 Å²	15.75	33.9 Å²	33.9	7%	0.069	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116	175.8	175	-145.1	0	0	0	110.6	G966 R967 I968 D993 P997 F1019 Q1021	G966-F995 PolarHBondContact O-N 3.12Å; R967-F995 WeakPolarHBondContact CA-O 3.46Å; R967-F995 HydrophobicContact CB-CB 4.47Å; R967-F995 HydrophobicContact CB-CD1 4.02Å; R967-F995 HydrophobicContact CG-CD1 3.77Å; R967-F995 HydrophobicContact CG-CE1 4.27Å; I968-F995 PolarHBondContact N-O 3.11Å; D993-F995 PolarHBondContact O-N 3.26Å; F995-P997 HydrophobicContact CE1-CB 4.34Å; F995-P997 HydrophobicContact CE2-CB 4.46Å; F995-P997 HydrophobicContact CZ-CB 4.11Å; F995-P997 VanDerWaalsContact O-CD 3.31Å; F995-P997 WeakPolarHBondContact O-CD 3.29Å; F995-F1019 WeakPolarHBondContact CA-O 3.46Å; F995-F1019 AromaticContact CD2-CD1 3.61Å; F995-F1019 HydrophobicContact CD2-CD1 3.61Å; F995-F1019 HydrophobicContact CD2-CE1 4.25Å; F995-F1019 AromaticContact CE2-CD1 3.76Å; F995-F1019 HydrophobicContact CE2-CD1 3.76Å; F995-F1019 AromaticContact CE2-CE1 3.88Å; F995-F1019 HydrophobicContact CE2-CE1 3.92Å; F995-Q1021 HydrophobicContact CE2-CB 4.49Å; F995-Q1021 HydrophobicContact CE2-CG 4.35Å
996	I	91.6	Very high	90.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	101.9	173.8	-49.2	171.1	0	0	0	107.3	I968 I994 G1000 L1002 L1018 F1019 S1020 Q1021 G1022 L1024	I968-I996 HydrophobicContact CD1-CB 4.38Å; I968-I996 HydrophobicContact CD1-CG1 3.85Å; I968-I996 HydrophobicContact CD1-CG2 4.25Å; I994-I996 HydrophobicContact CG2-CG1 4.28Å; I996-G1000 VanDerWaalsContact CG2-O 3.28Å; I996-G1000 WeakPolarHBondContact CG2-O 3.26Å; I996-L1002 HydrophobicContact CD1-CB 3.47Å; I996-L1002 VanDerWaalsContact CD1-CB 3.47Å; I996-L1002 HydrophobicContact CD1-CD2 3.93Å; I996-L1002 HydrophobicContact CD1-CG 4.35Å; I996-L1002 HydrophobicContact CG1-CB 4.11Å; I996-L1002 HydrophobicContact CG1-CD2 4.44Å; I996-L1018 HydrophobicContact CD1-CD2 4.23Å; I996-F1019 PolarHBondContact N-O 3.32Å; I996-S1020 WeakPolarHBondContact CD1-OG 3.44Å; I996-Q1021 WeakPolarHBondContact O-CA 3.32Å; I996-Q1021 WeakPolarHBondContact O-CB 3.37Å; I996-Q1021 PolarHBondContact O-N 3.07Å; I996-G1022 PolarHBondContact O-N 2.92Å; I996-G1022 VanDerWaalsContact O-N 3.12Å; I996-L1024 HydrophobicContact CD1-CB 4.11Å; I996-L1024 HydrophobicContact CD1-CD1 3.91Å; I996-L1024 HydrophobicContact CD1-CG 4.46Å
997	P	88	Confident	91.4	Very high	4.5 Å²	4.5	28 Å²	28	3%	0.029	15%	0.148	C	C	.	.			trans	-70	168.7	178.9	24.5	-24.7	0	0	0	111.1	R967 I970 F995 T999 G1000 G1022	R967-P997 HydrophobicContact CG-CG 4.22Å; I970-P997 HydrophobicContact CB-CG 4.46Å; I970-P997 HydrophobicContact CD1-CB 3.97Å; I970-P997 HydrophobicContact CD1-CG 3.98Å; I970-P997 VanDerWaalsContact CD1-CG 3.43Å; I970-P997 HydrophobicContact CG1-CB 4.49Å; I970-P997 HydrophobicContact CG1-CG 4.2Å; I970-P997 HydrophobicContact CG2-CG 3.6Å; F995-P997 HydrophobicContact CE1-CB 4.34Å; F995-P997 HydrophobicContact CE2-CB 4.46Å; F995-P997 HydrophobicContact CZ-CB 4.11Å; F995-P997 VanDerWaalsContact O-CD 3.31Å; F995-P997 WeakPolarHBondContact O-CD 3.29Å; P997-T999 PolarHBondContact O-N 3.3Å; P997-G1000 WeakPolarHBondContact O-CA 3.32Å; P997-G1000 PolarHBondContact O-N 3.08Å; P997-G1022 WeakPolarHBondContact O-CA 3.47Å; P997-G1022 PolarHBondContact O-N 3.38Å
998	P	83.8	Confident	91.7	Very high	46.25 Å²	46.25	26.1 Å²	26.1	30%	0.3	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	139.4	174	-25.1	34.2	0	0	0	111.3	I970 G1000 Q1021 V1333	I970-P998 WeakPolarHBondContact CD1-O 3.45Å; P998-G1000 PolarHBondContact O-N 3.18Å; P998-G1000 VanDerWaalsContact O-N 3.14Å; P998-Q1021 HydrophobicContact CG-CB 4.19Å; P998-V1333 HydrophobicContact CB-CG1 4.06Å; P998-V1333 HydrophobicContact CB-CG2 4.45Å; P998-V1333 HydrophobicContact CG-CG1 3.95Å; P998-V1333 HydrophobicContact CG-CG2 3.89Å
999	T	83.8	Confident	91.8	Very high	85.25 Å²	85.25	28.1 Å²	28.1	52%	0.523	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-8.8	-173.2	77.1	0	0	0	0	116.8	P997	P997-T999 PolarHBondContact O-N 3.3Å
1000	G	89.8	Confident	92	Very high	0.5 Å²	0.5	26.4 Å²	26.4	1%	0.005	14%	0.143	C	C	.	.			trans	-74.2	150	171.9	0	0	0	0	0	111.8	R974 I996 P997 P998 G1022 E1023	R974-G1000 CarbonylContact O-C 3.51Å; R974-G1000 WeakPolarHBondContact O-CA 3.31Å; I996-G1000 VanDerWaalsContact CG2-O 3.28Å; I996-G1000 WeakPolarHBondContact CG2-O 3.26Å; P997-G1000 WeakPolarHBondContact O-CA 3.32Å; P997-G1000 PolarHBondContact O-N 3.08Å; P998-G1000 PolarHBondContact O-N 3.18Å; P998-G1000 VanDerWaalsContact O-N 3.14Å; G1000-G1022 CarbonylContact O-C 3.46Å; G1000-G1022 VanDerWaalsContact O-CA 3.31Å; G1000-G1022 WeakPolarHBondContact O-CA 3.34Å; G1000-E1023 PolarHBondContact O-N 3.09Å
1001	R	92.3	Very high	92	Very high	78.2 Å²	78.2	28.1 Å²	28.1	30%	0.295	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127	-179.3	-132.4	175.5	151.6	-159	15.6	111.3	R974 E975 V976 I1003 E1023	R974-R1001 PolarHBondContact O-N 3.07Å; E975-R1001 WeakPolarHBondContact CA-O 3.31Å; E975-R1001 HydrophobicContact CB-CB 4.41Å; E975-R1001 HydrophobicContact CG-CB 4.27Å; E975-R1001 HydrophobicContact CG-CG 4.3Å; E975-R1001 WeakPolarHBondContact OE2-CD 3.05Å; E975-R1001 IonicContact OE2-CZ 3.45Å; E975-R1001 IonicContact OE2-NE 3.05Å; E975-R1001 IonicContact OE2-NH1 3.79Å; E975-R1001 PolarHBondContact OE2-NH1 3.22Å; V976-R1001 PolarHBondContact N-O 3.26Å; R1001-I1003 HydrophobicContact CG-CG1 4.1Å; R1001-E1023 WeakPolarHBondContact CA-O 3.22Å; R1001-E1023 HydrophobicContact CB-CB 4.42Å; R1001-E1023 WeakPolarHBondContact CD-OE2 3.3Å; R1001-E1023 HydrophobicContact CG-CB 4.1Å; R1001-E1023 HydrophobicContact CG-CG 4.36Å; R1001-E1023 IonicContact CZ-OE1 3.18Å; R1001-E1023 VanDerWaalsContact CZ-OE1 3.23Å; R1001-E1023 IonicContact CZ-OE2 3.51Å; R1001-E1023 VanDerWaalsContact CZ-OE2 3.24Å; R1001-E1023 IonicContact NE-OE1 2.97Å; R1001-E1023 PolarHBondContact NE-OE1 3.16Å; R1001-E1023 IonicContact NE-OE2 3.51Å; R1001-E1023 PolarHBondContact NE-OE2 3.15Å; R1001-E1023 VanDerWaalsContact NE-OE2 3.12Å; R1001-E1023 VanDerWaalsContact NH2-CD 3.31Å; R1001-E1023 IonicContact NH2-OE1 3.27Å; R1001-E1023 PolarHBondContact NH2-OE1 2.93Å; R1001-E1023 IonicContact NH2-OE2 3.56Å; R1001-E1023 PolarHBondContact NH2-OE2 3.12Å
1002	L	94.2	Very high	92.2	Very high	0.2 Å²	0.2	26.6 Å²	26.6	0%	0.001	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.6	171.8	-175.9	62.1	0	0	0	110	F951 I968 V976 L978 I994 I996 I1004 L1018 E1023 L1024 K1025	F951-L1002 HydrophobicContact CE1-CD1 4.25Å; F951-L1002 HydrophobicContact CZ-CD1 4.43Å; I968-L1002 HydrophobicContact CD1-CB 4Å; I968-L1002 HydrophobicContact CD1-CD1 4.36Å; V976-L1002 HydrophobicContact CB-CD1 3.96Å; V976-L1002 HydrophobicContact CG1-CD1 3.93Å; V976-L1002 WeakPolarHBondContact O-CA 3.4Å; L978-L1002 HydrophobicContact CD1-CD1 4.34Å; L978-L1002 HydrophobicContact CG-CD1 4.11Å; I994-L1002 HydrophobicContact CG2-CD2 3.82Å; I996-L1002 HydrophobicContact CD1-CB 3.47Å; I996-L1002 VanDerWaalsContact CD1-CB 3.47Å; I996-L1002 HydrophobicContact CD1-CD2 3.93Å; I996-L1002 HydrophobicContact CD1-CG 4.35Å; I996-L1002 HydrophobicContact CG1-CB 4.11Å; I996-L1002 HydrophobicContact CG1-CD2 4.44Å; L1002-I1004 HydrophobicContact CD2-CD1 4.22Å; L1002-I1004 HydrophobicContact CD2-CG1 4.41Å; L1002-I1004 HydrophobicContact CG-CD1 4.46Å; L1002-I1004 HydrophobicContact CG-CG1 4.15Å; L1002-L1018 HydrophobicContact CD2-CD1 4.34Å; L1002-E1023 PolarHBondContact N-O 2.95Å; L1002-L1024 HydrophobicContact CB-CD1 4.07Å; L1002-L1024 HydrophobicContact CD2-CD1 3.95Å; L1002-L1024 HydrophobicContact CG-CD1 4.17Å; L1002-K1025 PolarHBondContact O-N 3.08Å
1003	I	94.6	Very high	92.2	Very high	28.4 Å²	28.4	25.2 Å²	25.2	15%	0.146	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.7	176.3	-54.1	-179.9	0	0	0	108.6	E975 V976 I977 L978 R1001 K1025	E975-I1003 HydrophobicContact CG-CD1 4.19Å; E975-I1003 HydrophobicContact CG-CG1 4.49Å; E975-I1003 WeakPolarHBondContact OE1-CD1 3.49Å; E975-I1003 WeakPolarHBondContact OE2-CD1 3.23Å; V976-I1003 PolarHBondContact O-N 3.16Å; I977-I1003 CarbonylContact C-O 3.51Å; I977-I1003 WeakPolarHBondContact CA-O 3.31Å; I977-I1003 HydrophobicContact CG1-CB 4.31Å; I977-I1003 HydrophobicContact CG1-CD1 4.34Å; I977-I1003 HydrophobicContact CG2-CB 4.46Å; L978-I1003 PolarHBondContact N-O 3.03Å; R1001-I1003 HydrophobicContact CG-CG1 4.1Å; I1003-K1025 HydrophobicContact CB-CB 4.49Å; I1003-K1025 HydrophobicContact CG1-CB 4.28Å; I1003-K1025 HydrophobicContact CG1-CD 4.38Å; I1003-K1025 HydrophobicContact CG2-CB 4.4Å; I1003-K1025 HydrophobicContact CG2-CD 4.36Å; I1003-K1025 HydrophobicContact CG2-CG 4.43Å
1004	I	95.3	Very high	91.9	Very high	1.4 Å²	1.4	25.4 Å²	25.4	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.4	176	-55.3	-173.6	0	0	0	108	L978 L1002 V1008 L1010 L1024 K1025 L1026 I1034 F1036	L978-I1004 HydrophobicContact CB-CG1 4.48Å; L978-I1004 HydrophobicContact CD1-CD1 4.21Å; L978-I1004 HydrophobicContact CD1-CG1 4.18Å; L1002-I1004 HydrophobicContact CD2-CD1 4.22Å; L1002-I1004 HydrophobicContact CD2-CG1 4.41Å; L1002-I1004 HydrophobicContact CG-CD1 4.46Å; L1002-I1004 HydrophobicContact CG-CG1 4.15Å; I1004-V1008 HydrophobicContact CG2-CB 3.65Å; I1004-V1008 HydrophobicContact CG2-CG1 3.73Å; I1004-V1008 HydrophobicContact CG2-CG2 4.16Å; I1004-L1010 HydrophobicContact CD1-CD1 3.97Å; I1004-L1010 HydrophobicContact CD1-CD2 4.38Å; I1004-L1010 HydrophobicContact CG2-CD1 4.15Å; I1004-L1024 HydrophobicContact CD1-CD1 4.4Å; I1004-K1025 PolarHBondContact N-O 3.12Å; I1004-K1025 VanDerWaalsContact N-O 3.15Å; I1004-L1026 HydrophobicContact CB-CD2 4Å; I1004-L1026 HydrophobicContact CD1-CD2 3.73Å; I1004-L1026 HydrophobicContact CG1-CD2 4.04Å; I1004-I1034 HydrophobicContact CB-CD1 4.21Å; I1004-I1034 HydrophobicContact CG2-CD1 3.98Å; I1004-I1034 HydrophobicContact CG2-CG1 4.25Å; I1004-I1034 HydrophobicContact CG2-CG2 3.64Å; I1004-I1034 VanDerWaalsContact O-CD1 3.29Å; I1004-I1034 WeakPolarHBondContact O-CD1 3.31Å; I1004-F1036 HydrophobicContact CD1-CE1 4.07Å; I1004-F1036 HydrophobicContact CD1-CZ 3.84Å
1005	Q	94.6	Very high	91.6	Very high	69 Å²	69	25.4 Å²	25.4	32%	0.322	14%	0.137	S	C	.	.			trans	-75.9	162.2	-178.1	-68.6	-169.7	-27.2	0	0	112.3	I977 L978 V1008	I977-Q1005 HydrophobicContact CG2-CG 4.03Å; L978-Q1005 WeakPolarHBondContact O-CB 3.28Å; L978-Q1005 WeakPolarHBondContact O-CG 3.19Å; L978-Q1005 PolarHBondContact O-N 3.12Å; L978-Q1005 VanDerWaalsContact O-N 3.09Å; Q1005-V1008 HydrophobicContact CB-CG2 4.4Å; Q1005-V1008 WeakPolarHBondContact O-CB 3.2Å; Q1005-V1008 WeakPolarHBondContact O-CG2 3.39Å; Q1005-V1008 PolarHBondContact O-N 2.96Å
1006	P	94.8	Very high	91.7	Very high	47.4 Å²	47.4	24.7 Å²	24.7	31%	0.308	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	151.3	172.5	-25.7	32.1	0	0	0	113.4	V1008 E1027 T1029 S1032	P1006-V1008 PolarHBondContact O-N 2.91Å; P1006-V1008 VanDerWaalsContact O-N 3.14Å; P1006-E1027 VanDerWaalsContact CD-O 3.24Å; P1006-E1027 WeakPolarHBondContact CD-O 3.31Å; P1006-E1027 VanDerWaalsContact CG-O 3.27Å; P1006-E1027 WeakPolarHBondContact CG-O 3.38Å; P1006-T1029 HydrophobicContact CB-CG2 4.28Å; P1006-T1029 HydrophobicContact CG-CG2 4.06Å; P1006-S1032 WeakPolarHBondContact CB-O 3.42Å
1007	A	92.4	Very high	91.8	Very high	40 Å²	40	24.7 Å²	24.7	33%	0.331	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	4.9	-177.2	0	0	0	0	0	116.8	P980 S1032 P1033	P980-A1007 HydrophobicContact CB-CB 4.16Å; A1007-S1032 PolarHBondContact N-O 3.04Å; A1007-S1032 VanDerWaalsContact N-O 3.13Å; A1007-P1033 PolarHBondContact N-O 3.13Å
1008	V	94.1	Very high	92.1	Very high	1.2 Å²	1.2	24.6 Å²	24.6	1%	0.007	13%	0.133	C	C	.	.			trans	-71.6	135.6	174.1	176.1	0	0	0	0	110.7	L978 P980 Y988 I1004 Q1005 P1006 L1010 I1035	L978-V1008 HydrophobicContact CB-CG1 4.39Å; P980-V1008 HydrophobicContact CB-CG2 4.5Å; Y988-V1008 HydrophobicContact CD2-CG1 3.7Å; Y988-V1008 HydrophobicContact CE2-CG1 3.83Å; I1004-V1008 HydrophobicContact CG2-CB 3.65Å; I1004-V1008 HydrophobicContact CG2-CG1 3.73Å; I1004-V1008 HydrophobicContact CG2-CG2 4.16Å; Q1005-V1008 HydrophobicContact CB-CG2 4.4Å; Q1005-V1008 WeakPolarHBondContact O-CB 3.2Å; Q1005-V1008 WeakPolarHBondContact O-CG2 3.39Å; Q1005-V1008 PolarHBondContact O-N 2.96Å; P1006-V1008 PolarHBondContact O-N 2.91Å; P1006-V1008 VanDerWaalsContact O-N 3.14Å; V1008-L1010 HydrophobicContact CG1-CD1 3.77Å; V1008-L1010 HydrophobicContact CG1-CG 4.28Å; V1008-I1035 PolarHBondContact O-N 2.96Å
1009	K	93.4	Very high	92.5	Very high	68 Å²	68	22.7 Å²	22.7	30%	0.296	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.3	177.4	-56	177.5	-176.7	172	0	109.6	P984 F987 Y988 F1011 I1035	P984-K1009 PolarHBondContact O-NZ 3.25Å; P984-K1009 VanDerWaalsContact O-NZ 3.08Å; F987-K1009 HydrophobicContact CB-CB 4Å; Y988-K1009 WeakPolarHBondContact CB-O 3.35Å; Y988-K1009 PolarHBondContact N-O 3.08Å; K1009-F1011 HydrophobicContact CB-CD2 4.45Å; K1009-F1011 HydrophobicContact CB-CE2 4.08Å; K1009-I1035 CarbonylContact C-O 3.47Å; K1009-I1035 WeakPolarHBondContact CA-O 3.42Å; K1009-I1035 HydrophobicContact CD-CD1 4.49Å; K1009-I1035 HydrophobicContact CG-CB 4.26Å; K1009-I1035 HydrophobicContact CG-CD1 4.32Å
1010	L	95	Very high	93	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122	177.5	-67.4	110.6	0	0	0	109.8	L964 L978 Y988 V990 I994 I1004 V1008 F1012 I1034 I1035 F1036 D1037	L964-L1010 HydrophobicContact CD1-CD2 4.15Å; L964-L1010 HydrophobicContact CD2-CD2 4Å; L978-L1010 HydrophobicContact CD1-CD2 4Å; Y988-L1010 WeakPolarHBondContact O-CA 3.27Å; V990-L1010 HydrophobicContact CG2-CB 4.14Å; V990-L1010 HydrophobicContact CG2-CD2 3.93Å; I994-L1010 HydrophobicContact CD1-CD2 4.18Å; I1004-L1010 HydrophobicContact CD1-CD1 3.97Å; I1004-L1010 HydrophobicContact CD1-CD2 4.38Å; I1004-L1010 HydrophobicContact CG2-CD1 4.15Å; V1008-L1010 HydrophobicContact CG1-CD1 3.77Å; V1008-L1010 HydrophobicContact CG1-CG 4.28Å; L1010-F1012 HydrophobicContact CB-CD2 4.36Å; L1010-F1012 HydrophobicContact CB-CE2 3.58Å; L1010-F1012 HydrophobicContact CB-CZ 4.23Å; L1010-F1012 HydrophobicContact CD2-CE2 4.41Å; L1010-F1012 HydrophobicContact CD2-CZ 4.24Å; L1010-I1034 HydrophobicContact CD1-CG2 4.48Å; L1010-I1035 PolarHBondContact N-O 3Å; L1010-F1036 HydrophobicContact CB-CD1 4.24Å; L1010-F1036 HydrophobicContact CD1-CD1 4.17Å; L1010-F1036 HydrophobicContact CD1-CE1 3.78Å; L1010-F1036 VanDerWaalsContact CD1-CE1 3.46Å; L1010-F1036 HydrophobicContact CD1-CZ 4.24Å; L1010-F1036 HydrophobicContact CD2-CE1 4.4Å; L1010-F1036 WeakPolarHBondContact O-CA 3.4Å; L1010-D1037 PolarHBondContact O-N 2.96Å
1011	F	93.7	Very high	92.9	Very high	35.6 Å²	35.6	19.8 Å²	19.8	16%	0.156	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.6	176.8	-75.7	-98.1	0	0	0	109.9	F987 Y988 R989 V990 K1009 D1037 H1038 Y1039 V1042	F987-F1011 HydrophobicContact CB-CD2 3.54Å; F987-F1011 VanDerWaalsContact CB-CD2 3.43Å; F987-F1011 HydrophobicContact CB-CE2 3.73Å; F987-F1011 HydrophobicContact CD1-CD2 4.28Å; F987-F1011 HydrophobicContact CD1-CE2 4.28Å; F987-F1011 HydrophobicContact CD2-CB 3.9Å; F987-F1011 AromaticContact CD2-CD2 3.52Å; F987-F1011 HydrophobicContact CD2-CD2 3.52Å; F987-F1011 VanDerWaalsContact CD2-CD2 3.5Å; F987-F1011 HydrophobicContact CD2-CE2 4.24Å; F987-F1011 AromaticContact CD2-CG 3.9Å; F987-F1011 HydrophobicContact CD2-CG 3.93Å; F987-F1011 HydrophobicContact CE2-CB 4.18Å; F987-F1011 HydrophobicContact CE2-CD2 4.32Å; F987-F1011 HydrophobicContact CE2-CG 4.36Å; F987-F1011 HydrophobicContact CG-CB 4.5Å; F987-F1011 AromaticContact CG-CD2 3.5Å; F987-F1011 HydrophobicContact CG-CD2 3.5Å; F987-F1011 VanDerWaalsContact CG-CD2 3.45Å; F987-F1011 AromaticContact CG-CE2 3.8Å; F987-F1011 HydrophobicContact CG-CE2 3.85Å; F987-F1011 HydrophobicContact CG-CG 4.3Å; Y988-F1011 PolarHBondContact O-N 2.89Å; R989-F1011 CarbonylContact C-O 3.58Å; R989-F1011 WeakPolarHBondContact CA-O 3.42Å; V990-F1011 PolarHBondContact N-O 2.95Å; K1009-F1011 HydrophobicContact CB-CD2 4.45Å; K1009-F1011 HydrophobicContact CB-CE2 4.08Å; F1011-D1037 CarbonylContact C-O 3.54Å; F1011-D1037 VanDerWaalsContact CA-O 3.27Å; F1011-D1037 WeakPolarHBondContact CA-O 3.33Å; F1011-D1037 HydrophobicContact CD1-CB 4.03Å; F1011-D1037 HydrophobicContact CE1-CB 3.8Å; F1011-D1037 HydrophobicContact CZ-CB 4.27Å; F1011-H1038 WeakPolarHBondContact CD1-O 3.43Å; F1011-Y1039 HydrophobicContact CB-CD2 4.21Å; F1011-Y1039 HydrophobicContact CB-CG 4.5Å; F1011-Y1039 HydrophobicContact CD1-CD2 4.49Å; F1011-V1042 HydrophobicContact CB-CG2 4.45Å; F1011-V1042 HydrophobicContact CD1-CG2 3.52Å; F1011-V1042 VanDerWaalsContact CD1-CG2 3.47Å; F1011-V1042 HydrophobicContact CD2-CG2 4.22Å; F1011-V1042 HydrophobicContact CE1-CG2 3.61Å; F1011-V1042 HydrophobicContact CE2-CG2 4.29Å; F1011-V1042 HydrophobicContact CG-CG2 3.83Å; F1011-V1042 HydrophobicContact CZ-CG2 4Å
1012	F	93.9	Very high	92.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.6	-174.1	-67.4	-107.9	0	0	0	110.9	V990 I994 L1010 V1016 L1018 F1036 D1037 H1038 Y1039 W1205	V990-F1012 HydrophobicContact CB-CB 4.44Å; V990-F1012 HydrophobicContact CB-CD1 3.6Å; V990-F1012 HydrophobicContact CB-CD2 4.43Å; V990-F1012 HydrophobicContact CB-CE1 3.85Å; V990-F1012 HydrophobicContact CB-CG 3.93Å; V990-F1012 HydrophobicContact CB-CZ 4.35Å; V990-F1012 HydrophobicContact CG1-CD1 3.69Å; V990-F1012 HydrophobicContact CG1-CE1 3.67Å; V990-F1012 HydrophobicContact CG1-CG 4.45Å; V990-F1012 HydrophobicContact CG1-CZ 4.44Å; V990-F1012 HydrophobicContact CG2-CD1 3.93Å; V990-F1012 HydrophobicContact CG2-CD2 4.1Å; V990-F1012 HydrophobicContact CG2-CE1 3.79Å; V990-F1012 HydrophobicContact CG2-CE2 3.92Å; V990-F1012 HydrophobicContact CG2-CG 4.07Å; V990-F1012 HydrophobicContact CG2-CZ 3.78Å; I994-F1012 HydrophobicContact CD1-CE1 4.09Å; I994-F1012 HydrophobicContact CD1-CZ 4.15Å; L1010-F1012 HydrophobicContact CB-CD2 4.36Å; L1010-F1012 HydrophobicContact CB-CE2 3.58Å; L1010-F1012 HydrophobicContact CB-CZ 4.23Å; L1010-F1012 HydrophobicContact CD2-CE2 4.41Å; L1010-F1012 HydrophobicContact CD2-CZ 4.24Å; F1012-V1016 HydrophobicContact CD1-CB 4.42Å; F1012-V1016 HydrophobicContact CD1-CG1 4.13Å; F1012-L1018 HydrophobicContact CE1-CB 4.46Å; F1012-F1036 HydrophobicContact CE2-CB 4.4Å; F1012-F1036 AromaticContact CE2-CD1 3.68Å; F1012-F1036 HydrophobicContact CE2-CD1 3.68Å; F1012-F1036 HydrophobicContact CE2-CE1 4.42Å; F1012-F1036 HydrophobicContact CE2-CG 4.49Å; F1012-F1036 AromaticContact CZ-CD1 3.94Å; F1012-F1036 HydrophobicContact CZ-CD1 3.95Å; F1012-F1036 HydrophobicContact CZ-CE1 4.43Å; F1012-D1037 PolarHBondContact N-O 3.17Å; F1012-H1038 PolarHBondContact O-CD2 2.9Å; F1012-H1038 VanDerWaalsContact O-CD2 3.29Å; F1012-Y1039 VanDerWaalsContact O-CB 3.31Å; F1012-Y1039 WeakPolarHBondContact O-CB 3.39Å; F1012-Y1039 PolarHBondContact O-N 3.04Å; F1012-W1205 HydrophobicContact CB-CB 3.46Å; F1012-W1205 VanDerWaalsContact CB-CB 3.46Å; F1012-W1205 HydrophobicContact CB-CD2 3.94Å; F1012-W1205 HydrophobicContact CB-CE3 4.07Å; F1012-W1205 HydrophobicContact CB-CG 3.7Å; F1012-W1205 HydrophobicContact CD1-CD2 4.39Å; F1012-W1205 AromaticContact CD1-CE3 3.68Å; F1012-W1205 HydrophobicContact CD1-CE3 3.68Å; F1012-W1205 HydrophobicContact CD1-CZ3 4.08Å; F1012-W1205 AromaticContact CD2-CD2 3.92Å; F1012-W1205 HydrophobicContact CD2-CD2 3.95Å; F1012-W1205 AromaticContact CD2-CE3 3.84Å; F1012-W1205 HydrophobicContact CD2-CE3 3.84Å; F1012-W1205 HydrophobicContact CD2-CG 4.45Å; F1012-W1205 HydrophobicContact CD2-CH2 4.38Å; F1012-W1205 HydrophobicContact CD2-CZ2 4.44Å; F1012-W1205 HydrophobicContact CD2-CZ3 4.07Å; F1012-W1205 AromaticContact CE1-CE3 3.9Å; F1012-W1205 HydrophobicContact CE1-CE3 4.04Å; F1012-W1205 AromaticContact CE1-CZ3 3.91Å; F1012-W1205 HydrophobicContact CE1-CZ3 3.95Å; F1012-W1205 HydrophobicContact CE2-CE3 4.23Å; F1012-W1205 HydrophobicContact CE2-CH2 4.17Å; F1012-W1205 HydrophobicContact CE2-CZ2 4.44Å; F1012-W1205 AromaticContact CE2-CZ3 3.95Å; F1012-W1205 HydrophobicContact CE2-CZ3 3.98Å; F1012-W1205 HydrophobicContact CG-CB 4.3Å; F1012-W1205 AromaticContact CG-CD2 3.84Å; F1012-W1205 HydrophobicContact CG-CD2 3.84Å; F1012-W1205 AromaticContact CG-CE3 3.58Å; F1012-W1205 HydrophobicContact CG-CE3 3.58Å; F1012-W1205 HydrophobicContact CG-CG 4.17Å; F1012-W1205 HydrophobicContact CG-CZ3 4.15Å; F1012-W1205 HydrophobicContact CZ-CE3 4.32Å; F1012-W1205 HydrophobicContact CZ-CH2 4.33Å; F1012-W1205 AromaticContact CZ-CZ3 3.86Å; F1012-W1205 HydrophobicContact CZ-CZ3 3.92Å
1013	D	90.5	Very high	92.5	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.032	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-62.5	156.1	164.4	-77.6	-4.9	0	0	0	110.1	K840 R989 V990 T991 G1015 V1016 Y1039	K840-D1013 HydrophobicContact CD-CB 4.18Å; K840-D1013 VanDerWaalsContact CE-OD2 3.27Å; K840-D1013 WeakPolarHBondContact CE-OD2 3.37Å; K840-D1013 HydrophobicContact CG-CB 3.98Å; K840-D1013 IonicContact NZ-OD2 3.15Å; K840-D1013 PolarHBondContact NZ-OD2 2.9Å; R989-D1013 IonicContact CZ-OD1 2.94Å; R989-D1013 VanDerWaalsContact CZ-OD1 3.23Å; R989-D1013 IonicContact CZ-OD2 3.74Å; R989-D1013 IonicContact NE-OD1 3.59Å; R989-D1013 PolarHBondContact NE-OD1 3.25Å; R989-D1013 VanDerWaalsContact NE-OD1 3.08Å; R989-D1013 IonicContact NE-OD2 3.55Å; R989-D1013 VanDerWaalsContact NH2-CG 3.26Å; R989-D1013 IonicContact NH2-OD1 3.65Å; R989-D1013 PolarHBondContact NH2-OD1 3.09Å; R989-D1013 IonicContact NH2-OD2 2.82Å; R989-D1013 PolarHBondContact NH2-OD2 3.39Å; V990-D1013 PolarHBondContact O-N 2.89Å; T991-D1013 WeakPolarHBondContact CG2-OD2 3.41Å; D1013-G1015 PolarHBondContact O-N 2.9Å; D1013-V1016 HydrophobicContact CB-CG2 3.89Å; D1013-V1016 VanDerWaalsContact O-CB 3.28Å; D1013-V1016 WeakPolarHBondContact O-CB 3.31Å; D1013-V1016 WeakPolarHBondContact O-CG2 3.35Å; D1013-V1016 PolarHBondContact O-N 3.27Å; D1013-V1016 VanDerWaalsContact O-N 3.13Å; D1013-Y1039 WeakPolarHBondContact OD1-CD1 3.47Å
1014	S	88.5	Confident	92.5	Very high	4.8 Å²	4.8	17.1 Å²	17.1	3%	0.034	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	136.6	-177.7	-49.6	0	0	0	0	112.4	L838 V1016 H1038 G1204	L838-S1014 WeakPolarHBondContact O-CB 3.1Å; L838-S1014 PolarHBondContact O-OG 3.17Å; S1014-V1016 PolarHBondContact O-N 2.98Å; S1014-H1038 WeakPolarHBondContact CA-NE2 3.3Å; S1014-H1038 PolarHBondContact N-NE2 2.9Å; S1014-H1038 PolarHBondContact OG-CE1 2.98Å; S1014-H1038 PolarHBondContact OG-NE2 2.94Å; S1014-G1204 WeakPolarHBondContact CA-O 3.15Å
1015	G	88.1	Confident	92.4	Very high	1.8 Å²	1.8	19.4 Å²	19.4	2%	0.019	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	5.6	-179	0	0	0	0	0	115.7	R842 D1013 G1204 L1231	R842-G1015 PolarHBondContact NH1-O 3Å; D1013-G1015 PolarHBondContact O-N 2.9Å; G1015-G1204 PolarHBondContact N-O 3.08Å; G1015-L1231 WeakPolarHBondContact CA-O 3.36Å
1016	V	92.9	Very high	92.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.			trans	-92.3	140	175.3	-175.2	0	0	0	0	110	V990 K992 D993 F1012 D1013 S1014 W1205 S1206	V990-V1016 HydrophobicContact CG1-CG1 3.96Å; K992-V1016 VanDerWaalsContact C-CG1 3.42Å; K992-V1016 VanDerWaalsContact O-CG1 3.31Å; K992-V1016 WeakPolarHBondContact O-CG1 3.28Å; D993-V1016 WeakPolarHBondContact OD1-CA 3.38Å; F1012-V1016 HydrophobicContact CD1-CB 4.42Å; F1012-V1016 HydrophobicContact CD1-CG1 4.13Å; D1013-V1016 HydrophobicContact CB-CG2 3.89Å; D1013-V1016 VanDerWaalsContact O-CB 3.28Å; D1013-V1016 WeakPolarHBondContact O-CB 3.31Å; D1013-V1016 WeakPolarHBondContact O-CG2 3.35Å; D1013-V1016 PolarHBondContact O-N 3.27Å; D1013-V1016 VanDerWaalsContact O-N 3.13Å; S1014-V1016 PolarHBondContact O-N 2.98Å; V1016-W1205 WeakPolarHBondContact O-CB 3.35Å; V1016-S1206 WeakPolarHBondContact O-CB 3.49Å; V1016-S1206 PolarHBondContact O-N 3.28Å
1017	G	94.1	Very high	92.3	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.01	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	-179	-176.5	0	0	0	0	0	114.8	D993 I994 G1207	D993-G1017 CarbonylContact C-O 3.58Å; D993-G1017 VanDerWaalsContact CA-O 3.31Å; D993-G1017 WeakPolarHBondContact CA-O 3.34Å; D993-G1017 PolarHBondContact OD1-N 3.09Å; I994-G1017 PolarHBondContact N-O 3.1Å; G1017-G1207 WeakPolarHBondContact CA-O 3.31Å
1018	L	95.2	Very high	92.4	Very high	1.2 Å²	1.2	16.3 Å²	16.3	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.1	170.6	-168.9	162.6	0	0	0	109	I994 I996 L1002 F1012 L1024 F1036 G1207 I1208 R1209	I994-L1018 HydrophobicContact CB-CB 4.31Å; I994-L1018 HydrophobicContact CB-CD1 4.4Å; I994-L1018 HydrophobicContact CB-CG 3.91Å; I994-L1018 HydrophobicContact CD1-CD1 4.16Å; I994-L1018 HydrophobicContact CD1-CG 4.35Å; I994-L1018 HydrophobicContact CG2-CD1 4.29Å; I994-L1018 HydrophobicContact CG2-CG 3.86Å; I994-L1018 WeakPolarHBondContact O-CA 3.13Å; I996-L1018 HydrophobicContact CD1-CD2 4.23Å; L1002-L1018 HydrophobicContact CD2-CD1 4.34Å; F1012-L1018 HydrophobicContact CE1-CB 4.46Å; L1018-L1024 HydrophobicContact CD1-CD1 4.28Å; L1018-L1024 HydrophobicContact CD1-CD2 4.31Å; L1018-L1024 HydrophobicContact CD2-CD1 4.33Å; L1018-L1024 HydrophobicContact CD2-CD2 3.72Å; L1018-L1024 HydrophobicContact CD2-CG 4.48Å; L1018-F1036 HydrophobicContact CD1-CE1 4.38Å; L1018-G1207 PolarHBondContact N-O 3.06Å; L1018-I1208 HydrophobicContact CB-CG1 4.2Å; L1018-I1208 HydrophobicContact CB-CG2 4.43Å; L1018-I1208 HydrophobicContact CD2-CG2 4.06Å; L1018-I1208 CarbonylContact O-C 3.55Å; L1018-I1208 WeakPolarHBondContact O-CA 3.33Å; L1018-R1209 PolarHBondContact O-N 3.34Å
1019	F	92.3	Very high	92.4	Very high	6.8 Å²	6.8	19.1 Å²	19.1	3%	0.03	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.6	178.4	-177.8	-104.9	0	0	0	110.6	Y919 I994 F995 I996 Q1021 R1209 T1211	Y919-F1019 HydrophobicContact CD1-CB 3.49Å; Y919-F1019 VanDerWaalsContact CD1-CB 3.48Å; Y919-F1019 HydrophobicContact CD1-CD1 4.37Å; Y919-F1019 HydrophobicContact CD1-CD2 4.44Å; Y919-F1019 AromaticContact CD1-CG 3.93Å; Y919-F1019 HydrophobicContact CD1-CG 3.97Å; Y919-F1019 HydrophobicContact CD2-CB 3.89Å; Y919-F1019 AromaticContact CD2-CD1 3.37Å; Y919-F1019 HydrophobicContact CD2-CD1 3.37Å; Y919-F1019 VanDerWaalsContact CD2-CD1 3.41Å; Y919-F1019 AromaticContact CD2-CD2 3.79Å; Y919-F1019 HydrophobicContact CD2-CD2 3.79Å; Y919-F1019 AromaticContact CD2-CE1 3.71Å; Y919-F1019 HydrophobicContact CD2-CE1 3.71Å; Y919-F1019 AromaticContact CD2-CE2 3.9Å; Y919-F1019 HydrophobicContact CD2-CE2 4.08Å; Y919-F1019 AromaticContact CD2-CG 3.41Å; Y919-F1019 HydrophobicContact CD2-CG 3.41Å; Y919-F1019 HydrophobicContact CD2-CZ 4.04Å; Y919-F1019 HydrophobicContact CE1-CB 3.67Å; Y919-F1019 AromaticContact CE1-CD2 3.91Å; Y919-F1019 HydrophobicContact CE1-CD2 4.09Å; Y919-F1019 AromaticContact CE1-CG 3.85Å; Y919-F1019 HydrophobicContact CE1-CG 4Å; Y919-F1019 HydrophobicContact CE2-CB 4.07Å; Y919-F1019 AromaticContact CE2-CD1 3.7Å; Y919-F1019 HydrophobicContact CE2-CD1 3.8Å; Y919-F1019 AromaticContact CE2-CD2 3.31Å; Y919-F1019 HydrophobicContact CE2-CD2 3.31Å; Y919-F1019 AromaticContact CE2-CE1 3.76Å; Y919-F1019 HydrophobicContact CE2-CE1 3.98Å; Y919-F1019 AromaticContact CE2-CE2 3.49Å; Y919-F1019 HydrophobicContact CE2-CE2 3.49Å; Y919-F1019 VanDerWaalsContact CE2-CE2 3.43Å; Y919-F1019 AromaticContact CE2-CG 3.46Å; Y919-F1019 HydrophobicContact CE2-CG 3.46Å; Y919-F1019 VanDerWaalsContact CE2-CG 3.43Å; Y919-F1019 AromaticContact CE2-CZ 3.61Å; Y919-F1019 HydrophobicContact CE2-CZ 3.82Å; Y919-F1019 HydrophobicContact CG-CB 3.61Å; Y919-F1019 VanDerWaalsContact CG-CB 3.48Å; Y919-F1019 AromaticContact CG-CD1 3.78Å; Y919-F1019 HydrophobicContact CG-CD1 3.78Å; Y919-F1019 HydrophobicContact CG-CD2 4.37Å; Y919-F1019 HydrophobicContact CG-CE1 4.44Å; Y919-F1019 AromaticContact CG-CG 3.69Å; Y919-F1019 HydrophobicContact CG-CG 3.69Å; Y919-F1019 AromaticContact CZ-CD2 3.47Å; Y919-F1019 AromaticContact CZ-CE2 3.75Å; Y919-F1019 AromaticContact CZ-CG 3.67Å; Y919-F1019 WeakPolarHBondContact OH-CD2 3.4Å; I994-F1019 PolarHBondContact O-N 3.1Å; F995-F1019 WeakPolarHBondContact CA-O 3.46Å; F995-F1019 AromaticContact CD2-CD1 3.61Å; F995-F1019 HydrophobicContact CD2-CD1 3.61Å; F995-F1019 HydrophobicContact CD2-CE1 4.25Å; F995-F1019 AromaticContact CE2-CD1 3.76Å; F995-F1019 HydrophobicContact CE2-CD1 3.76Å; F995-F1019 AromaticContact CE2-CE1 3.88Å; F995-F1019 HydrophobicContact CE2-CE1 3.92Å; I996-F1019 PolarHBondContact N-O 3.32Å; F1019-Q1021 HydrophobicContact CD1-CG 4.49Å; F1019-Q1021 HydrophobicContact CE1-CG 3.77Å; F1019-Q1021 HydrophobicContact CZ-CG 4.21Å; F1019-R1209 WeakPolarHBondContact CA-O 3.38Å; F1019-R1209 HydrophobicContact CD2-CB 4.13Å; F1019-R1209 HydrophobicContact CD2-CG 4.2Å; F1019-R1209 HydrophobicContact CE2-CG 4.33Å; F1019-T1211 HydrophobicContact CD2-CG2 4.07Å; F1019-T1211 HydrophobicContact CE1-CG2 4.19Å; F1019-T1211 HydrophobicContact CE2-CG2 3.22Å; F1019-T1211 HydrophobicContact CZ-CG2 3.3Å
1020	S	92.4	Very high	92.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.7	-176.7	-165	0	0	0	0	112.8	I996 G1022 R1209 T1211	I996-S1020 WeakPolarHBondContact CD1-OG 3.44Å; S1020-G1022 PolarHBondContact OG-O 3.05Å; S1020-G1022 VanDerWaalsContact OG-O 3.07Å; S1020-R1209 PolarHBondContact N-O 3.14Å; S1020-T1211 PolarHBondContact O-N 2.92Å; S1020-T1211 PolarHBondContact O-OG1 2.85Å
1021	Q	88.3	Confident	92.1	Very high	25.8 Å²	25.8	30.7 Å²	30.7	12%	0.121	16%	0.156	C	C	.	.	S	Bend	trans	-101.3	-15.6	161.6	-74.3	-179.3	-34.2	0	0	112.3	F995 I996 P998 F1019 T1211 S1213 D1214 S1215 G1331 V1333	F995-Q1021 HydrophobicContact CE2-CB 4.49Å; F995-Q1021 HydrophobicContact CE2-CG 4.35Å; I996-Q1021 WeakPolarHBondContact O-CA 3.32Å; I996-Q1021 WeakPolarHBondContact O-CB 3.37Å; I996-Q1021 PolarHBondContact O-N 3.07Å; P998-Q1021 HydrophobicContact CG-CB 4.19Å; F1019-Q1021 HydrophobicContact CD1-CG 4.49Å; F1019-Q1021 HydrophobicContact CE1-CG 3.77Å; F1019-Q1021 HydrophobicContact CZ-CG 4.21Å; Q1021-T1211 WeakPolarHBondContact CA-OG1 3.49Å; Q1021-T1211 HydrophobicContact CG-CG2 4.33Å; Q1021-T1211 WeakPolarHBondContact CG-OG1 3.39Å; Q1021-S1213 VanDerWaalsContact O-CA 3.31Å; Q1021-S1213 WeakPolarHBondContact O-CA 3.28Å; Q1021-S1213 WeakPolarHBondContact O-CB 3.39Å; Q1021-S1213 PolarHBondContact O-OG 3.13Å; Q1021-D1214 PolarHBondContact O-N 3.06Å; Q1021-S1215 PolarHBondContact O-OG 3.01Å; Q1021-G1331 PolarHBondContact NE2-O 3.06Å; Q1021-V1333 HydrophobicContact CB-CG2 3.74Å; Q1021-V1333 HydrophobicContact CG-CG2 3.9Å
1022	G	88.6	Confident	92.1	Very high	0.4 Å²	0.4	31.1 Å²	31.1	0%	0.004	16%	0.163	C	C	.	.	S	Bend	trans	-98.5	-152.4	173.4	0	0	0	0	0	113	I996 P997 G1000 S1020 S1213 S1215	I996-G1022 PolarHBondContact O-N 2.92Å; I996-G1022 VanDerWaalsContact O-N 3.12Å; P997-G1022 WeakPolarHBondContact O-CA 3.47Å; P997-G1022 PolarHBondContact O-N 3.38Å; G1000-G1022 CarbonylContact O-C 3.46Å; G1000-G1022 VanDerWaalsContact O-CA 3.31Å; G1000-G1022 WeakPolarHBondContact O-CA 3.34Å; S1020-G1022 PolarHBondContact OG-O 3.05Å; S1020-G1022 VanDerWaalsContact OG-O 3.07Å; G1022-S1213 WeakPolarHBondContact O-CB 3.39Å; G1022-S1213 PolarHBondContact O-OG 3.35Å; G1022-S1215 VanDerWaalsContact C-OG 3.3Å; G1022-S1215 PolarHBondContact O-OG 3.23Å
1023	E	90.4	Very high	92.2	Very high	47 Å²	47	32.4 Å²	32.4	22%	0.22	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125	179.4	-172	-174.6	156	0	0	110.9	G1000 R1001 L1002 K1025 S1217 R1218 T1219	G1000-E1023 PolarHBondContact O-N 3.09Å; R1001-E1023 WeakPolarHBondContact CA-O 3.22Å; R1001-E1023 HydrophobicContact CB-CB 4.42Å; R1001-E1023 WeakPolarHBondContact CD-OE2 3.3Å; R1001-E1023 HydrophobicContact CG-CB 4.1Å; R1001-E1023 HydrophobicContact CG-CG 4.36Å; R1001-E1023 IonicContact CZ-OE1 3.18Å; R1001-E1023 VanDerWaalsContact CZ-OE1 3.23Å; R1001-E1023 IonicContact CZ-OE2 3.51Å; R1001-E1023 VanDerWaalsContact CZ-OE2 3.24Å; R1001-E1023 IonicContact NE-OE1 2.97Å; R1001-E1023 PolarHBondContact NE-OE1 3.16Å; R1001-E1023 IonicContact NE-OE2 3.51Å; R1001-E1023 PolarHBondContact NE-OE2 3.15Å; R1001-E1023 VanDerWaalsContact NE-OE2 3.12Å; R1001-E1023 VanDerWaalsContact NH2-CD 3.31Å; R1001-E1023 IonicContact NH2-OE1 3.27Å; R1001-E1023 PolarHBondContact NH2-OE1 2.93Å; R1001-E1023 IonicContact NH2-OE2 3.56Å; R1001-E1023 PolarHBondContact NH2-OE2 3.12Å; L1002-E1023 PolarHBondContact N-O 2.95Å; E1023-K1025 HydrophobicContact CG-CG 4.45Å; E1023-K1025 WeakPolarHBondContact OE1-CE 3.48Å; E1023-K1025 IonicContact OE1-NZ 3.37Å; E1023-S1217 PolarHBondContact N-OG 2.89Å; E1023-R1218 WeakPolarHBondContact CG-O 3.2Å; E1023-T1219 HydrophobicContact CG-CG2 4.42Å
1024	L	93.6	Very high	92.5	Very high	0.8 Å²	0.8	32.1 Å²	32.1	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.2	172.1	177.9	64.7	0	0	0	109.4	I996 L1002 I1004 L1018 L1026 I1208 I1210 T1219 I1220	I996-L1024 HydrophobicContact CD1-CB 4.11Å; I996-L1024 HydrophobicContact CD1-CD1 3.91Å; I996-L1024 HydrophobicContact CD1-CG 4.46Å; L1002-L1024 HydrophobicContact CB-CD1 4.07Å; L1002-L1024 HydrophobicContact CD2-CD1 3.95Å; L1002-L1024 HydrophobicContact CG-CD1 4.17Å; I1004-L1024 HydrophobicContact CD1-CD1 4.4Å; L1018-L1024 HydrophobicContact CD1-CD1 4.28Å; L1018-L1024 HydrophobicContact CD1-CD2 4.31Å; L1018-L1024 HydrophobicContact CD2-CD1 4.33Å; L1018-L1024 HydrophobicContact CD2-CD2 3.72Å; L1018-L1024 HydrophobicContact CD2-CG 4.48Å; L1024-L1026 HydrophobicContact CD1-CD2 3.88Å; L1024-L1026 HydrophobicContact CD1-CG 4.39Å; L1024-L1026 HydrophobicContact CD2-CD1 4.13Å; L1024-L1026 HydrophobicContact CD2-CD2 4.38Å; L1024-L1026 HydrophobicContact CD2-CG 4.25Å; L1024-L1026 HydrophobicContact CG-CD1 4.42Å; L1024-L1026 HydrophobicContact CG-CD2 4.01Å; L1024-L1026 HydrophobicContact CG-CG 4Å; L1024-I1208 HydrophobicContact CD2-CG2 4.23Å; L1024-I1210 HydrophobicContact CD2-CD1 4.09Å; L1024-I1210 HydrophobicContact CD2-CG1 4.3Å; L1024-T1219 HydrophobicContact CB-CG2 4.24Å; L1024-T1219 HydrophobicContact CG-CG2 4.38Å; L1024-T1219 VanDerWaalsContact O-CA 3.22Å; L1024-T1219 WeakPolarHBondContact O-CA 3.21Å; L1024-T1219 WeakPolarHBondContact O-CB 3.39Å; L1024-T1219 WeakPolarHBondContact O-CG2 3.22Å; L1024-T1219 PolarHBondContact O-OG1 3.4Å; L1024-I1220 PolarHBondContact O-N 3.21Å
1025	K	94	Very high	92.8	Very high	49.8 Å²	49.8	33.5 Å²	33.5	22%	0.217	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.5	179.6	-157.7	178.3	179.9	-176.5	0	111.1	L1002 I1003 I1004 E1023 E1027 I1220	L1002-K1025 PolarHBondContact O-N 3.08Å; I1003-K1025 HydrophobicContact CB-CB 4.49Å; I1003-K1025 HydrophobicContact CG1-CB 4.28Å; I1003-K1025 HydrophobicContact CG1-CD 4.38Å; I1003-K1025 HydrophobicContact CG2-CB 4.4Å; I1003-K1025 HydrophobicContact CG2-CD 4.36Å; I1003-K1025 HydrophobicContact CG2-CG 4.43Å; I1004-K1025 PolarHBondContact N-O 3.12Å; I1004-K1025 VanDerWaalsContact N-O 3.15Å; E1023-K1025 HydrophobicContact CG-CG 4.45Å; E1023-K1025 WeakPolarHBondContact OE1-CE 3.48Å; E1023-K1025 IonicContact OE1-NZ 3.37Å; K1025-E1027 WeakPolarHBondContact CE-OE1 3.38Å; K1025-E1027 WeakPolarHBondContact CE-OE2 3.31Å; K1025-E1027 HydrophobicContact CG-CG 4.44Å; K1025-E1027 IonicContact NZ-OE1 3.75Å; K1025-E1027 PolarHBondContact NZ-OE1 3.48Å; K1025-E1027 IonicContact NZ-OE2 3.22Å; K1025-E1027 PolarHBondContact NZ-OE2 3.04Å; K1025-I1220 HydrophobicContact CD-CD1 4.44Å; K1025-I1220 HydrophobicContact CG-CB 4.47Å
1026	L	94.8	Very high	93.2	Very high	2.4 Å²	2.4	33.5 Å²	33.5	1%	0.013	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	84.6	179.7	-53.4	-177.6	0	0	0	110.2	I1004 L1024 I1034 F1036 I1220 I1221 S1222 V1224	I1004-L1026 HydrophobicContact CB-CD2 4Å; I1004-L1026 HydrophobicContact CD1-CD2 3.73Å; I1004-L1026 HydrophobicContact CG1-CD2 4.04Å; L1024-L1026 HydrophobicContact CD1-CD2 3.88Å; L1024-L1026 HydrophobicContact CD1-CG 4.39Å; L1024-L1026 HydrophobicContact CD2-CD1 4.13Å; L1024-L1026 HydrophobicContact CD2-CD2 4.38Å; L1024-L1026 HydrophobicContact CD2-CG 4.25Å; L1024-L1026 HydrophobicContact CG-CD1 4.42Å; L1024-L1026 HydrophobicContact CG-CD2 4.01Å; L1024-L1026 HydrophobicContact CG-CG 4Å; L1026-I1034 HydrophobicContact CB-CD1 4.2Å; L1026-I1034 HydrophobicContact CD2-CD1 4.44Å; L1026-F1036 HydrophobicContact CD1-CE2 4.26Å; L1026-F1036 HydrophobicContact CD1-CZ 4.21Å; L1026-F1036 HydrophobicContact CD2-CE2 4.33Å; L1026-F1036 HydrophobicContact CD2-CZ 3.79Å; L1026-I1220 CarbonylContact C-O 3.53Å; L1026-I1220 WeakPolarHBondContact CA-O 3.36Å; L1026-I1220 WeakPolarHBondContact CB-O 3.39Å; L1026-I1220 PolarHBondContact N-O 2.95Å; L1026-I1220 VanDerWaalsContact O-O 3.09Å; L1026-I1221 HydrophobicContact CD1-CG1 4.49Å; L1026-I1221 WeakPolarHBondContact O-CA 3.33Å; L1026-S1222 PolarHBondContact O-N 3.15Å; L1026-V1224 HydrophobicContact CB-CG2 3.77Å; L1026-V1224 HydrophobicContact CD1-CG2 4.28Å
1027	E	91.8	Very high	93.3	Very high	83.2 Å²	83.2	34.7 Å²	34.7	39%	0.389	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	87.7	-179.1	-107.8	176.4	-175.6	0	0	110.1	P1006 K1025 I1220	P1006-E1027 VanDerWaalsContact CD-O 3.24Å; P1006-E1027 WeakPolarHBondContact CD-O 3.31Å; P1006-E1027 VanDerWaalsContact CG-O 3.27Å; P1006-E1027 WeakPolarHBondContact CG-O 3.38Å; K1025-E1027 WeakPolarHBondContact CE-OE1 3.38Å; K1025-E1027 WeakPolarHBondContact CE-OE2 3.31Å; K1025-E1027 HydrophobicContact CG-CG 4.44Å; K1025-E1027 IonicContact NZ-OE1 3.75Å; K1025-E1027 PolarHBondContact NZ-OE1 3.48Å; K1025-E1027 IonicContact NZ-OE2 3.22Å; K1025-E1027 PolarHBondContact NZ-OE2 3.04Å; E1027-I1220 HydrophobicContact CG-CB 4.32Å; E1027-I1220 HydrophobicContact CG-CG2 3.71Å; E1027-I1220 VanDerWaalsContact OE1-CD1 3.27Å; E1027-I1220 WeakPolarHBondContact OE1-CD1 3.31Å
1028	G	94.1	Very high	93.2	Very high	5.8 Å²	5.8	35 Å²	35	6%	0.06	18%	0.183	C	C	.	.			trans	-86.1	178.6	169.8	0	0	0	0	0	112.4	S1222 H1223	G1028-S1222 PolarHBondContact N-O 3.23Å; G1028-H1223 PolarHBondContact O-ND1 3.05Å
1029	T	94.8	Very high	92.8	Very high	60 Å²	60	37.7 Å²	37.7	37%	0.368	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-123.5	163.4	171.1	71.1	0	0	0	0	111	P1006 M1031 S1032 P1033 H1223	P1006-T1029 HydrophobicContact CB-CG2 4.28Å; P1006-T1029 HydrophobicContact CG-CG2 4.06Å; T1029-M1031 PolarHBondContact O-N 3.08Å; T1029-S1032 PolarHBondContact N-O 3.03Å; T1029-S1032 VanDerWaalsContact N-O 3.12Å; T1029-S1032 CarbonylContact O-C 3.55Å; T1029-S1032 PolarHBondContact O-N 3.2Å; T1029-S1032 VanDerWaalsContact O-N 3.12Å; T1029-S1032 WeakPolarHBondContact OG1-CB 3.39Å; T1029-S1032 PolarHBondContact OG1-N 3.21Å; T1029-S1032 VanDerWaalsContact OG1-N 3.13Å; T1029-P1033 VanDerWaalsContact O-N 3.1Å; T1029-H1223 VanDerWaalsContact C-CG 3.49Å
1030	L	90.5	Very high	92	Very high	139.2 Å²	139.2	38.7 Å²	38.7	73%	0.729	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-37.9	178.7	-172.1	69.9	0	0	0	113	H1223	L1030-H1223 VanDerWaalsContact CA-CD2 3.48Å; L1030-H1223 WeakPolarHBondContact CA-CD2 3.47Å; L1030-H1223 PolarHBondContact N-CD2 3.14Å; L1030-H1223 VanDerWaalsContact N-CD2 3.28Å
1031	M	91.6	Very high	90.7	Very high	173.8 Å²	173.8	41.8 Å²	41.8	86%	0.856	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-17.4	177.8	-61.2	-154	-41	0	0	113.3	T1029	T1029-M1031 PolarHBondContact O-N 3.08Å
1032	S	93.4	Very high	89.3	Confident	43.4 Å²	43.4	42.3 Å²	42.3	30%	0.303	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-145.4	68.2	-171.5	-68.6	0	0	0	0	110.3	P1006 A1007 T1029	P1006-S1032 WeakPolarHBondContact CB-O 3.42Å; A1007-S1032 PolarHBondContact N-O 3.04Å; A1007-S1032 VanDerWaalsContact N-O 3.13Å; T1029-S1032 PolarHBondContact N-O 3.03Å; T1029-S1032 VanDerWaalsContact N-O 3.12Å; T1029-S1032 CarbonylContact O-C 3.55Å; T1029-S1032 PolarHBondContact O-N 3.2Å; T1029-S1032 VanDerWaalsContact O-N 3.12Å; T1029-S1032 WeakPolarHBondContact OG1-CB 3.39Å; T1029-S1032 PolarHBondContact OG1-N 3.21Å; T1029-S1032 VanDerWaalsContact OG1-N 3.13Å
1033	P	95.5	Very high	87.5	Confident	27.2 Å²	27.2	51.2 Å²	51.2	18%	0.177	25%	0.254	C	S	.	.			trans	-66.2	158.3	178.4	29.1	-35.5	0	0	0	111.1	A1007 T1029 I1035 H1223 Q1225	A1007-P1033 PolarHBondContact N-O 3.13Å; T1029-P1033 VanDerWaalsContact O-N 3.1Å; P1033-I1035 HydrophobicContact CG-CG1 4.42Å; P1033-H1223 VanDerWaalsContact CA-O 3.27Å; P1033-H1223 WeakPolarHBondContact CA-O 3.41Å; P1033-H1223 VanDerWaalsContact CB-O 3.26Å; P1033-H1223 WeakPolarHBondContact CB-O 3.3Å; P1033-Q1225 HydrophobicContact CB-CG 4.12Å; P1033-Q1225 HydrophobicContact CG-CG 4.45Å
1034	I	96.7	Very high	85.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	131.5	168.1	-58.4	168.5	0	0	0	107.6	I1004 L1010 L1026 F1036 H1223 V1224 Q1225	I1004-I1034 HydrophobicContact CB-CD1 4.21Å; I1004-I1034 HydrophobicContact CG2-CD1 3.98Å; I1004-I1034 HydrophobicContact CG2-CG1 4.25Å; I1004-I1034 HydrophobicContact CG2-CG2 3.64Å; I1004-I1034 VanDerWaalsContact O-CD1 3.29Å; I1004-I1034 WeakPolarHBondContact O-CD1 3.31Å; L1010-I1034 HydrophobicContact CD1-CG2 4.48Å; L1026-I1034 HydrophobicContact CB-CD1 4.2Å; L1026-I1034 HydrophobicContact CD2-CD1 4.44Å; I1034-F1036 HydrophobicContact CB-CE2 4.36Å; I1034-F1036 HydrophobicContact CG2-CD2 4.1Å; I1034-F1036 HydrophobicContact CG2-CE2 3.41Å; I1034-F1036 VanDerWaalsContact CG2-CE2 3.42Å; I1034-F1036 HydrophobicContact CG2-CZ 3.86Å; I1034-H1223 PolarHBondContact N-O 3.05Å; I1034-H1223 VanDerWaalsContact N-O 3.09Å; I1034-V1224 HydrophobicContact CB-CG2 4.48Å; I1034-Q1225 PolarHBondContact O-N 2.83Å
1035	I	95.8	Very high	83.3	Confident	34.8 Å²	34.8	56.9 Å²	56.9	18%	0.178	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.3	-175.5	-56.7	175.8	0	0	0	109.8	V1008 K1009 L1010 P1033 D1037 Q1225	V1008-I1035 PolarHBondContact O-N 2.96Å; K1009-I1035 CarbonylContact C-O 3.47Å; K1009-I1035 WeakPolarHBondContact CA-O 3.42Å; K1009-I1035 HydrophobicContact CD-CD1 4.49Å; K1009-I1035 HydrophobicContact CG-CB 4.26Å; K1009-I1035 HydrophobicContact CG-CD1 4.32Å; L1010-I1035 PolarHBondContact N-O 3Å; P1033-I1035 HydrophobicContact CG-CG1 4.42Å; I1035-D1037 HydrophobicContact CG2-CB 4.49Å; I1035-Q1225 HydrophobicContact CG1-CB 4.43Å
1036	F	97.1	Very high	80.9	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.6	169.5	-59.2	-99.5	0	0	0	108.5	I1004 L1010 F1012 L1018 L1026 I1034 W1205 I1208 V1224 Q1225 I1226 H1227	I1004-F1036 HydrophobicContact CD1-CE1 4.07Å; I1004-F1036 HydrophobicContact CD1-CZ 3.84Å; L1010-F1036 HydrophobicContact CB-CD1 4.24Å; L1010-F1036 HydrophobicContact CD1-CD1 4.17Å; L1010-F1036 HydrophobicContact CD1-CE1 3.78Å; L1010-F1036 VanDerWaalsContact CD1-CE1 3.46Å; L1010-F1036 HydrophobicContact CD1-CZ 4.24Å; L1010-F1036 HydrophobicContact CD2-CE1 4.4Å; L1010-F1036 WeakPolarHBondContact O-CA 3.4Å; F1012-F1036 HydrophobicContact CE2-CB 4.4Å; F1012-F1036 AromaticContact CE2-CD1 3.68Å; F1012-F1036 HydrophobicContact CE2-CD1 3.68Å; F1012-F1036 HydrophobicContact CE2-CE1 4.42Å; F1012-F1036 HydrophobicContact CE2-CG 4.49Å; F1012-F1036 AromaticContact CZ-CD1 3.94Å; F1012-F1036 HydrophobicContact CZ-CD1 3.95Å; F1012-F1036 HydrophobicContact CZ-CE1 4.43Å; L1018-F1036 HydrophobicContact CD1-CE1 4.38Å; L1026-F1036 HydrophobicContact CD1-CE2 4.26Å; L1026-F1036 HydrophobicContact CD1-CZ 4.21Å; L1026-F1036 HydrophobicContact CD2-CE2 4.33Å; L1026-F1036 HydrophobicContact CD2-CZ 3.79Å; I1034-F1036 HydrophobicContact CB-CE2 4.36Å; I1034-F1036 HydrophobicContact CG2-CD2 4.1Å; I1034-F1036 HydrophobicContact CG2-CE2 3.41Å; I1034-F1036 VanDerWaalsContact CG2-CE2 3.42Å; I1034-F1036 HydrophobicContact CG2-CZ 3.86Å; F1036-W1205 HydrophobicContact CB-CH2 3.86Å; F1036-W1205 HydrophobicContact CB-CZ2 3.62Å; F1036-W1205 HydrophobicContact CD1-CH2 4.26Å; F1036-W1205 HydrophobicContact CG-CH2 4.37Å; F1036-I1208 HydrophobicContact CD1-CD1 3.98Å; F1036-I1208 HydrophobicContact CD2-CD1 4.32Å; F1036-I1208 HydrophobicContact CE1-CD1 3.96Å; F1036-I1208 HydrophobicContact CE2-CD1 4.27Å; F1036-I1208 HydrophobicContact CG-CD1 4.19Å; F1036-I1208 HydrophobicContact CZ-CD1 4.1Å; F1036-V1224 HydrophobicContact CD2-CG1 3.78Å; F1036-V1224 HydrophobicContact CE2-CG1 3.66Å; F1036-Q1225 PolarHBondContact N-O 3.12Å; F1036-I1226 HydrophobicContact CB-CG1 4.4Å; F1036-I1226 HydrophobicContact CD2-CG1 4.27Å; F1036-I1226 WeakPolarHBondContact O-CA 3.35Å; F1036-H1227 PolarHBondContact O-N 2.91Å
1037	D	94.9	Very high	78.3	Confident	25.4 Å²	25.4	63.7 Å²	63.7	14%	0.136	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	167.6	-178.4	-159.2	-0.8	0	0	0	111.6	L1010 F1011 F1012 I1035 H1227 H1228	L1010-D1037 PolarHBondContact O-N 2.96Å; F1011-D1037 CarbonylContact C-O 3.54Å; F1011-D1037 VanDerWaalsContact CA-O 3.27Å; F1011-D1037 WeakPolarHBondContact CA-O 3.33Å; F1011-D1037 HydrophobicContact CD1-CB 4.03Å; F1011-D1037 HydrophobicContact CE1-CB 3.8Å; F1011-D1037 HydrophobicContact CZ-CB 4.27Å; F1012-D1037 PolarHBondContact N-O 3.17Å; I1035-D1037 HydrophobicContact CG2-CB 4.49Å; D1037-H1227 HydrophobicContact CB-CB 4.24Å; D1037-H1227 VanDerWaalsContact OD1-CB 3.3Å; D1037-H1227 WeakPolarHBondContact OD1-CB 3.35Å; D1037-H1228 IonicContact OD1-CE1 3.54Å; D1037-H1228 IonicContact OD1-CG 3.08Å; D1037-H1228 IonicContact OD1-ND1 3.54Å; D1037-H1228 PolarHBondContact OD1-ND1 3.08Å; D1037-H1228 IonicContact OD2-ND1 3.9Å
1038	H	91.7	Very high	75.8	Confident	7.6 Å²	7.6	66.9 Å²	66.9	4%	0.035	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	135.7	174	-177.4	-116.8	0	0	0	111.7	F1011 F1012 S1014 S1040 Q1041 P1203 H1228	F1011-H1038 WeakPolarHBondContact CD1-O 3.43Å; F1012-H1038 PolarHBondContact O-CD2 2.9Å; F1012-H1038 VanDerWaalsContact O-CD2 3.29Å; S1014-H1038 WeakPolarHBondContact CA-NE2 3.3Å; S1014-H1038 PolarHBondContact N-NE2 2.9Å; S1014-H1038 PolarHBondContact OG-CE1 2.98Å; S1014-H1038 PolarHBondContact OG-NE2 2.94Å; H1038-S1040 WeakPolarHBondContact ND1-CB 3.31Å; H1038-S1040 PolarHBondContact ND1-N 3.2Å; H1038-S1040 PolarHBondContact ND1-OG 3.14Å; H1038-S1040 PolarHBondContact O-N 3.06Å; H1038-S1040 VanDerWaalsContact O-N 3.11Å; H1038-Q1041 PolarHBondContact O-N 3.08Å; H1038-Q1041 VanDerWaalsContact O-N 3.11Å; H1038-P1203 PolarHBondContact CE1-O 3.05Å; H1038-P1203 VanDerWaalsContact CE1-O 3.28Å; H1038-P1203 PolarHBondContact ND1-O 3.11Å; H1038-P1203 VanDerWaalsContact ND1-O 3.16Å; H1038-H1228 HydrophobicContact CB-CB 3.73Å
1039	Y	87.1	Confident	73.2	Confident	57.8 Å²	57.8	69.5 Å²	69.5	23%	0.227	36%	0.358	C	S	.	.			trans	-71.7	48.6	173.9	-175.1	-108.8	0	0	0	112	F987 R989 F1011 F1012 D1013 Q1041 V1042	F987-Y1039 AromaticContact CE2-CD2 3.94Å; F987-Y1039 HydrophobicContact CE2-CD2 4.05Å; F987-Y1039 AromaticContact CE2-CE2 3.88Å; F987-Y1039 HydrophobicContact CE2-CE2 3.93Å; F987-Y1039 HydrophobicContact CZ-CD2 4.24Å; F987-Y1039 AromaticContact CZ-CE2 3.88Å; F987-Y1039 HydrophobicContact CZ-CE2 3.92Å; R989-Y1039 HydrophobicContact CG-CD2 4.18Å; R989-Y1039 HydrophobicContact CG-CE2 4.42Å; F1011-Y1039 HydrophobicContact CB-CD2 4.21Å; F1011-Y1039 HydrophobicContact CB-CG 4.5Å; F1011-Y1039 HydrophobicContact CD1-CD2 4.49Å; F1012-Y1039 VanDerWaalsContact O-CB 3.31Å; F1012-Y1039 WeakPolarHBondContact O-CB 3.39Å; F1012-Y1039 PolarHBondContact O-N 3.04Å; D1013-Y1039 WeakPolarHBondContact OD1-CD1 3.47Å; Y1039-Q1041 HydrophobicContact CD1-CG 3.93Å; Y1039-Q1041 HydrophobicContact CE1-CG 3.72Å; Y1039-Q1041 VanDerWaalsContact CE1-CG 3.48Å; Y1039-Q1041 PolarHBondContact O-N 3.23Å; Y1039-Q1041 VanDerWaalsContact O-N 3.13Å; Y1039-V1042 HydrophobicContact CD2-CB 4.4Å; Y1039-V1042 HydrophobicContact CD2-CG2 4.2Å; Y1039-V1042 HydrophobicContact CE2-CB 4.32Å; Y1039-V1042 HydrophobicContact CE2-CG2 4.45Å; Y1039-V1042 PolarHBondContact O-N 3.28Å; Y1039-V1042 VanDerWaalsContact O-N 3.11Å
1040	S	74.8	Confident	70.4	Confident	28 Å²	28	72.7 Å²	72.7	20%	0.196	37%	0.368	C	S	.	.			trans	-67.4	67.8	177.1	143.7	0	0	0	0	112.6	H1038 V1042 R1043 L1044 R1202	H1038-S1040 WeakPolarHBondContact ND1-CB 3.31Å; H1038-S1040 PolarHBondContact ND1-N 3.2Å; H1038-S1040 PolarHBondContact ND1-OG 3.14Å; H1038-S1040 PolarHBondContact O-N 3.06Å; H1038-S1040 VanDerWaalsContact O-N 3.11Å; S1040-V1042 VanDerWaalsContact C-N 3.3Å; S1040-V1042 PolarHBondContact O-N 3.35Å; S1040-V1042 PolarHBondContact OG-N 3.39Å; S1040-V1042 PolarHBondContact OG-O 2.82Å; S1040-V1042 VanDerWaalsContact OG-O 3.1Å; S1040-R1043 WeakPolarHBondContact O-CB 3.3Å; S1040-R1043 PolarHBondContact O-N 3.43Å; S1040-L1044 PolarHBondContact O-N 3.3Å; S1040-R1202 VanDerWaalsContact CB-NH2 3.28Å; S1040-R1202 PolarHBondContact OG-NH2 2.98Å
1041	Q	65.2	Low	67.8	Low	66.4 Å²	66.4	68.8 Å²	68.8	31%	0.31	36%	0.362	S	S	.	.			trans	-74.7	-25.1	173.8	-62.9	-136.4	-11.1	0	0	112.3	L838 R989 H1038 Y1039 R1043 L1044 N1045 H1228	L838-Q1041 HydrophobicContact CD1-CB 4.09Å; L838-Q1041 HydrophobicContact CD2-CB 3.97Å; L838-Q1041 HydrophobicContact CG-CB 4.49Å; R989-Q1041 VanDerWaalsContact NH2-NE2 3.17Å; H1038-Q1041 PolarHBondContact O-N 3.08Å; H1038-Q1041 VanDerWaalsContact O-N 3.11Å; Y1039-Q1041 HydrophobicContact CD1-CG 3.93Å; Y1039-Q1041 HydrophobicContact CE1-CG 3.72Å; Y1039-Q1041 VanDerWaalsContact CE1-CG 3.48Å; Y1039-Q1041 PolarHBondContact O-N 3.23Å; Y1039-Q1041 VanDerWaalsContact O-N 3.13Å; Q1041-R1043 VanDerWaalsContact C-N 3.32Å; Q1041-R1043 PolarHBondContact O-N 3.24Å; Q1041-L1044 PolarHBondContact O-N 3.17Å; Q1041-N1045 PolarHBondContact O-N 3.05Å; Q1041-N1045 PolarHBondContact O-ND2 2.87Å; Q1041-H1228 PolarHBondContact NE2-CD2 3.13Å; Q1041-H1228 PolarHBondContact NE2-CE1 2.67Å; Q1041-H1228 PolarHBondContact NE2-ND1 3.13Å; Q1041-H1228 PolarHBondContact NE2-NE2 3.06Å; Q1041-H1228 VanDerWaalsContact NE2-NE2 3.17Å
1042	V	57.9	Low	65.1	Low	35 Å²	35	66.1 Å²	66.1	21%	0.212	35%	0.347	C	S	.	.			trans	-71.9	64.9	176.5	-172.6	0	0	0	0	109.7	L838 F987 F1011 Y1039 S1040 L1044 N1045 S1046	L838-V1042 HydrophobicContact CD1-CG2 3.7Å; L838-V1042 HydrophobicContact CD2-CB 4.18Å; L838-V1042 HydrophobicContact CD2-CG2 3.32Å; L838-V1042 HydrophobicContact CG-CG2 4.14Å; F987-V1042 HydrophobicContact CE1-CG1 3.69Å; F987-V1042 HydrophobicContact CE1-CG2 4.05Å; F987-V1042 HydrophobicContact CE2-CG2 4.23Å; F987-V1042 HydrophobicContact CZ-CB 4.31Å; F987-V1042 HydrophobicContact CZ-CG1 3.69Å; F987-V1042 HydrophobicContact CZ-CG2 3.88Å; F1011-V1042 HydrophobicContact CB-CG2 4.45Å; F1011-V1042 HydrophobicContact CD1-CG2 3.52Å; F1011-V1042 VanDerWaalsContact CD1-CG2 3.47Å; F1011-V1042 HydrophobicContact CD2-CG2 4.22Å; F1011-V1042 HydrophobicContact CE1-CG2 3.61Å; F1011-V1042 HydrophobicContact CE2-CG2 4.29Å; F1011-V1042 HydrophobicContact CG-CG2 3.83Å; F1011-V1042 HydrophobicContact CZ-CG2 4Å; Y1039-V1042 HydrophobicContact CD2-CB 4.4Å; Y1039-V1042 HydrophobicContact CD2-CG2 4.2Å; Y1039-V1042 HydrophobicContact CE2-CB 4.32Å; Y1039-V1042 HydrophobicContact CE2-CG2 4.45Å; Y1039-V1042 PolarHBondContact O-N 3.28Å; Y1039-V1042 VanDerWaalsContact O-N 3.11Å; S1040-V1042 VanDerWaalsContact C-N 3.3Å; S1040-V1042 PolarHBondContact O-N 3.35Å; S1040-V1042 PolarHBondContact OG-N 3.39Å; S1040-V1042 PolarHBondContact OG-O 2.82Å; S1040-V1042 VanDerWaalsContact OG-O 3.1Å; V1042-L1044 VanDerWaalsContact C-N 3.29Å; V1042-L1044 HydrophobicContact CB-CG 4.48Å; V1042-L1044 HydrophobicContact CG1-CB 4.39Å; V1042-L1044 HydrophobicContact CG1-CD1 3.4Å; V1042-L1044 HydrophobicContact CG1-CD2 3.96Å; V1042-L1044 HydrophobicContact CG1-CG 3.62Å; V1042-L1044 PolarHBondContact O-N 3.08Å; V1042-L1044 VanDerWaalsContact O-N 3.15Å; V1042-N1045 PolarHBondContact O-N 3.02Å; V1042-S1046 PolarHBondContact O-N 3.32Å; V1042-S1046 VanDerWaalsContact O-N 3.08Å; V1042-S1046 PolarHBondContact O-OG 3.17Å
1043	R	52.8	Low	62.5	Low	187.6 Å²	187.6	69.6 Å²	69.6	71%	0.708	36%	0.357	S	S	*	.			trans	-77.6	50.3	166.7	-87.9	-175.8	-178.9	-179	0.9	109.5	S1040 Q1041 N1045 S1046 L1049	S1040-R1043 WeakPolarHBondContact O-CB 3.3Å; S1040-R1043 PolarHBondContact O-N 3.43Å; Q1041-R1043 VanDerWaalsContact C-N 3.32Å; Q1041-R1043 PolarHBondContact O-N 3.24Å; R1043-N1045 VanDerWaalsContact C-N 3.35Å; R1043-N1045 PolarHBondContact O-N 2.92Å; R1043-N1045 VanDerWaalsContact O-N 3.14Å; R1043-S1046 WeakPolarHBondContact CA-OG 3.45Å; R1043-S1046 PolarHBondContact O-OG 3Å; R1043-L1049 HydrophobicContact CB-CD1 4.22Å; R1043-L1049 WeakPolarHBondContact O-CD1 3.31Å
1044	L	50.6	Low	59.7	Low	59 Å²	59	72.8 Å²	72.8	31%	0.309	37%	0.372	S	S	.	.			trans	-74.2	45.9	170.1	-69.9	163.2	0	0	0	108.9	S1040 Q1041 V1042 S1046 L1049 F1053 I1054 W1075	S1040-L1044 PolarHBondContact O-N 3.3Å; Q1041-L1044 PolarHBondContact O-N 3.17Å; V1042-L1044 VanDerWaalsContact C-N 3.29Å; V1042-L1044 HydrophobicContact CB-CG 4.48Å; V1042-L1044 HydrophobicContact CG1-CB 4.39Å; V1042-L1044 HydrophobicContact CG1-CD1 3.4Å; V1042-L1044 HydrophobicContact CG1-CD2 3.96Å; V1042-L1044 HydrophobicContact CG1-CG 3.62Å; V1042-L1044 PolarHBondContact O-N 3.08Å; V1042-L1044 VanDerWaalsContact O-N 3.15Å; L1044-S1046 PolarHBondContact O-N 2.9Å; L1044-L1049 HydrophobicContact CB-CD1 4.28Å; L1044-L1049 HydrophobicContact CD2-CD1 3.34Å; L1044-L1049 HydrophobicContact CG-CD1 4.4Å; L1044-F1053 HydrophobicContact CD2-CD2 3.93Å; L1044-F1053 HydrophobicContact CD2-CE2 4.2Å; L1044-I1054 HydrophobicContact CD2-CD1 3.9Å; L1044-W1075 HydrophobicContact CD1-CD2 4.32Å; L1044-W1075 HydrophobicContact CD1-CE3 4Å; L1044-W1075 HydrophobicContact CD1-CH2 3.66Å; L1044-W1075 HydrophobicContact CD1-CZ2 3.99Å; L1044-W1075 HydrophobicContact CD1-CZ3 3.54Å; L1044-W1075 HydrophobicContact CD2-CZ3 4.36Å; L1044-W1075 HydrophobicContact CG-CZ3 4.46Å
1045	N	43.9	Very low	56.7	Low	108.6 Å²	108.6	78.2 Å²	78.2	58%	0.581	40%	0.401	S	S	*	.			trans	-72.4	86.9	173.1	-74.2	-15.3	0	0	0	109.4	Q1041 V1042 R1043 D1047 E1048	Q1041-N1045 PolarHBondContact O-N 3.05Å; Q1041-N1045 PolarHBondContact O-ND2 2.87Å; V1042-N1045 PolarHBondContact O-N 3.02Å; R1043-N1045 VanDerWaalsContact C-N 3.35Å; R1043-N1045 PolarHBondContact O-N 2.92Å; R1043-N1045 VanDerWaalsContact O-N 3.14Å; N1045-D1047 PolarHBondContact O-N 2.89Å; N1045-E1048 HydrophobicContact CB-CB 4.23Å; N1045-E1048 HydrophobicContact CB-CG 4.08Å; N1045-E1048 PolarHBondContact O-N 3.11Å
1046	S	43.1	Very low	53.9	Low	73.8 Å²	73.8	81.7 Å²	81.7	52%	0.516	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	14.6	172.8	48.1	0	0	0	0	111.9	V1042 R1043 L1044 E1048 L1049	V1042-S1046 PolarHBondContact O-N 3.32Å; V1042-S1046 VanDerWaalsContact O-N 3.08Å; V1042-S1046 PolarHBondContact O-OG 3.17Å; R1043-S1046 WeakPolarHBondContact CA-OG 3.45Å; R1043-S1046 PolarHBondContact O-OG 3Å; L1044-S1046 PolarHBondContact O-N 2.9Å; S1046-E1048 VanDerWaalsContact C-N 3.28Å; S1046-E1048 PolarHBondContact O-N 3.31Å; S1046-L1049 PolarHBondContact O-N 3.14Å
1047	D	40.1	Very low	51.1	Low	121 Å²	121	85.3 Å²	85.3	65%	0.647	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-24	-175.3	-64	-26.8	0	0	0	113.9	N1045 L1049 Q1050 G1051 I1054	N1045-D1047 PolarHBondContact O-N 2.89Å; D1047-L1049 VanDerWaalsContact C-N 3.32Å; D1047-L1049 PolarHBondContact O-N 3.1Å; D1047-L1049 VanDerWaalsContact O-N 3.13Å; D1047-Q1050 WeakPolarHBondContact O-CB 3.49Å; D1047-Q1050 PolarHBondContact O-N 2.82Å; D1047-G1051 PolarHBondContact O-N 3.01Å; D1047-I1054 HydrophobicContact CB-CD1 4.47Å
1048	E	39.2	Very low	48.2	Very low	149.8 Å²	149.8	90 Å²	90	70%	0.7	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-69.6	-21.4	176.1	-74.2	-174.8	157.6	0	0	113.3	N1045 S1046 Q1050 G1051	N1045-E1048 HydrophobicContact CB-CB 4.23Å; N1045-E1048 HydrophobicContact CB-CG 4.08Å; N1045-E1048 PolarHBondContact O-N 3.11Å; S1046-E1048 VanDerWaalsContact C-N 3.28Å; S1046-E1048 PolarHBondContact O-N 3.31Å; E1048-Q1050 VanDerWaalsContact C-N 3.33Å; E1048-Q1050 PolarHBondContact O-N 3.01Å; E1048-G1051 PolarHBondContact O-N 2.99Å
1049	L	40.3	Very low	45.6	Very low	61.4 Å²	61.4	95.1 Å²	95.1	32%	0.321	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-88	-15.6	177.4	-97.6	113.3	0	0	0	114.7	R1043 L1044 S1046 D1047 G1051 H1052 F1053 I1054 W1075 Y1082	R1043-L1049 HydrophobicContact CB-CD1 4.22Å; R1043-L1049 WeakPolarHBondContact O-CD1 3.31Å; L1044-L1049 HydrophobicContact CB-CD1 4.28Å; L1044-L1049 HydrophobicContact CD2-CD1 3.34Å; L1044-L1049 HydrophobicContact CG-CD1 4.4Å; S1046-L1049 PolarHBondContact O-N 3.14Å; D1047-L1049 VanDerWaalsContact C-N 3.32Å; D1047-L1049 PolarHBondContact O-N 3.1Å; D1047-L1049 VanDerWaalsContact O-N 3.13Å; L1049-G1051 PolarHBondContact O-N 3.14Å; L1049-H1052 CarbonylContact O-C 3.44Å; L1049-H1052 PolarHBondContact O-N 3.05Å; L1049-H1052 VanDerWaalsContact O-N 3.12Å; L1049-F1053 HydrophobicContact CB-CD2 4.02Å; L1049-F1053 HydrophobicContact CB-CE2 4.32Å; L1049-F1053 HydrophobicContact CD2-CD2 3.69Å; L1049-F1053 VanDerWaalsContact CD2-CD2 3.42Å; L1049-F1053 HydrophobicContact CD2-CE2 3.46Å; L1049-F1053 VanDerWaalsContact CD2-CE2 3.42Å; L1049-F1053 HydrophobicContact CD2-CG 4.36Å; L1049-F1053 HydrophobicContact CD2-CZ 4.35Å; L1049-F1053 HydrophobicContact CG-CD2 3.41Å; L1049-F1053 VanDerWaalsContact CG-CD2 3.41Å; L1049-F1053 HydrophobicContact CG-CE2 3.56Å; L1049-F1053 WeakPolarHBondContact O-CA 3.18Å; L1049-F1053 VanDerWaalsContact O-CB 3.23Å; L1049-F1053 WeakPolarHBondContact O-CB 3.13Å; L1049-F1053 WeakPolarHBondContact O-CD2 2.96Å; L1049-F1053 PolarHBondContact O-N 2.93Å; L1049-I1054 HydrophobicContact CD2-CD1 3.64Å; L1049-I1054 HydrophobicContact CD2-CG1 3.84Å; L1049-W1075 HydrophobicContact CD2-CB 4.16Å; L1049-W1075 HydrophobicContact CD2-CG 4.17Å; L1049-Y1082 HydrophobicContact CD2-CD2 4.42Å; L1049-Y1082 HydrophobicContact CD2-CE1 3.92Å; L1049-Y1082 HydrophobicContact CD2-CE2 3.95Å; L1049-Y1082 WeakPolarHBondContact CD2-OH 3.3Å
1050	Q	36.5	Very low	43	Very low	126.6 Å²	126.6	98.3 Å²	98.3	59%	0.592	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-19.4	176.9	-68.6	-169	4.1	0	0	113.1	D1047 E1048 H1052 F1053 I1054 N1055	D1047-Q1050 WeakPolarHBondContact O-CB 3.49Å; D1047-Q1050 PolarHBondContact O-N 2.82Å; E1048-Q1050 VanDerWaalsContact C-N 3.33Å; E1048-Q1050 PolarHBondContact O-N 3.01Å; Q1050-H1052 VanDerWaalsContact C-N 3.32Å; Q1050-H1052 PolarHBondContact O-N 3.09Å; Q1050-F1053 CarbonylContact O-C 3.59Å; Q1050-F1053 PolarHBondContact O-N 3.41Å; Q1050-I1054 CarbonylContact O-C 3.51Å; Q1050-I1054 WeakPolarHBondContact O-CG1 3.37Å; Q1050-I1054 PolarHBondContact O-N 3.17Å; Q1050-N1055 HydrophobicContact CB-CB 4.34Å; Q1050-N1055 WeakPolarHBondContact CB-ND2 3.32Å; Q1050-N1055 PolarHBondContact O-N 2.5Å; Q1050-N1055 PolarHBondContact OE1-ND2 3.26Å
1051	G	35.4	Very low	41.1	Very low	58.4 Å²	58.4	106.2 Å²	106.2	60%	0.602	55%	0.55	S	S	*	.	H	α-helix	trans	-56.6	-17.6	176.2	0	0	0	0	0	114.9	D1047 E1048 L1049 F1053 I1054 N1055	D1047-G1051 PolarHBondContact O-N 3.01Å; E1048-G1051 PolarHBondContact O-N 2.99Å; L1049-G1051 PolarHBondContact O-N 3.14Å; G1051-F1053 PolarHBondContact O-N 3.13Å; G1051-I1054 PolarHBondContact O-N 2.91Å; G1051-N1055 WeakPolarHBondContact O-CB 2.94Å; G1051-N1055 PolarHBondContact O-ND2 3.39Å
1052	H	35.6	Very low	39.8	Very low	115.6 Å²	115.6	107.4 Å²	107.4	54%	0.535	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.2	21.6	177.5	-84.3	-44.5	0	0	0	111.8	L1049 Q1050 I1054 L1059 N1066	L1049-H1052 CarbonylContact O-C 3.44Å; L1049-H1052 PolarHBondContact O-N 3.05Å; L1049-H1052 VanDerWaalsContact O-N 3.12Å; Q1050-H1052 VanDerWaalsContact C-N 3.32Å; Q1050-H1052 PolarHBondContact O-N 3.09Å; H1052-I1054 WeakPolarHBondContact O-CG1 3.01Å; H1052-I1054 PolarHBondContact O-N 3.09Å; H1052-L1059 WeakPolarHBondContact O-CD1 2.9Å; H1052-N1066 PolarHBondContact CE1-ND2 2.81Å; H1052-N1066 PolarHBondContact ND1-ND2 3.37Å; H1052-N1066 VanDerWaalsContact ND1-ND2 3.17Å
1053	F	38	Very low	39	Very low	117.8 Å²	117.8	110.4 Å²	110.4	52%	0.517	58%	0.579	S	S	.	*			trans	-73.5	46.5	171.7	-68.4	-76.4	0	0	0	112.2	L1044 L1049 Q1050 G1051 N1055 H1056 L1070 Y1082 I1124 L1150	L1044-F1053 HydrophobicContact CD2-CD2 3.93Å; L1044-F1053 HydrophobicContact CD2-CE2 4.2Å; L1049-F1053 HydrophobicContact CB-CD2 4.02Å; L1049-F1053 HydrophobicContact CB-CE2 4.32Å; L1049-F1053 HydrophobicContact CD2-CD2 3.69Å; L1049-F1053 VanDerWaalsContact CD2-CD2 3.42Å; L1049-F1053 HydrophobicContact CD2-CE2 3.46Å; L1049-F1053 VanDerWaalsContact CD2-CE2 3.42Å; L1049-F1053 HydrophobicContact CD2-CG 4.36Å; L1049-F1053 HydrophobicContact CD2-CZ 4.35Å; L1049-F1053 HydrophobicContact CG-CD2 3.41Å; L1049-F1053 VanDerWaalsContact CG-CD2 3.41Å; L1049-F1053 HydrophobicContact CG-CE2 3.56Å; L1049-F1053 WeakPolarHBondContact O-CA 3.18Å; L1049-F1053 VanDerWaalsContact O-CB 3.23Å; L1049-F1053 WeakPolarHBondContact O-CB 3.13Å; L1049-F1053 WeakPolarHBondContact O-CD2 2.96Å; L1049-F1053 PolarHBondContact O-N 2.93Å; Q1050-F1053 CarbonylContact O-C 3.59Å; Q1050-F1053 PolarHBondContact O-N 3.41Å; G1051-F1053 PolarHBondContact O-N 3.13Å; F1053-N1055 PolarHBondContact O-N 2.96Å; F1053-H1056 PolarHBondContact O-CD2 2.75Å; F1053-L1070 HydrophobicContact CD1-CB 4.23Å; F1053-L1070 HydrophobicContact CE1-CB 3.98Å; F1053-L1070 HydrophobicContact CE1-CD1 4.39Å; F1053-L1070 HydrophobicContact CE1-CG 4.44Å; F1053-Y1082 WeakPolarHBondContact CB-OH 3.36Å; F1053-Y1082 HydrophobicContact CD1-CD1 4.02Å; F1053-Y1082 AromaticContact CD1-CE1 3.17Å; F1053-Y1082 HydrophobicContact CD1-CE1 3.17Å; F1053-Y1082 AromaticContact CD1-CE2 3.97Å; F1053-Y1082 HydrophobicContact CD1-CE2 3.97Å; F1053-Y1082 AromaticContact CD1-CZ 3.11Å; F1053-Y1082 WeakPolarHBondContact CD1-OH 3.48Å; F1053-Y1082 HydrophobicContact CD2-CE2 4.49Å; F1053-Y1082 AromaticContact CE1-CD1 3.41Å; F1053-Y1082 HydrophobicContact CE1-CD1 3.41Å; F1053-Y1082 VanDerWaalsContact CE1-CD1 3.41Å; F1053-Y1082 HydrophobicContact CE1-CD2 4.41Å; F1053-Y1082 AromaticContact CE1-CE1 3.04Å; F1053-Y1082 HydrophobicContact CE1-CE1 3.04Å; F1053-Y1082 HydrophobicContact CE1-CE2 4.1Å; F1053-Y1082 HydrophobicContact CE1-CG 4.09Å; F1053-Y1082 AromaticContact CE1-CZ 3.42Å; F1053-Y1082 VanDerWaalsContact CE1-CZ 3.42Å; F1053-Y1082 HydrophobicContact CG-CE1 4.14Å; F1053-Y1082 HydrophobicContact CG-CE2 4.15Å; F1053-Y1082 AromaticContact CG-CZ 3.63Å; F1053-Y1082 WeakPolarHBondContact CG-OH 3.31Å; F1053-Y1082 AromaticContact CZ-CD1 3.97Å; F1053-Y1082 HydrophobicContact CZ-CD1 3.97Å; F1053-Y1082 HydrophobicContact CZ-CD2 4.49Å; F1053-Y1082 AromaticContact CZ-CE1 3.96Å; F1053-Y1082 HydrophobicContact CZ-CE1 3.96Å; F1053-Y1082 HydrophobicContact CZ-CE2 4.44Å; F1053-Y1082 HydrophobicContact CZ-CG 4.23Å; F1053-I1124 HydrophobicContact CZ-CD1 4.48Å; F1053-L1150 HydrophobicContact CD1-CD2 4.41Å; F1053-L1150 HydrophobicContact CE1-CB 4.26Å; F1053-L1150 HydrophobicContact CE1-CD1 4.32Å; F1053-L1150 HydrophobicContact CE1-CD2 4.49Å; F1053-L1150 HydrophobicContact CE2-CD1 4.3Å; F1053-L1150 HydrophobicContact CZ-CD1 3.98Å
1054	I	36.7	Very low	38.5	Very low	94.2 Å²	94.2	105.2 Å²	105.2	48%	0.483	57%	0.57	S	S	.	*			trans	-74	87.6	175.7	-56.4	174.8	0	0	0	109.6	L1044 D1047 L1049 Q1050 G1051 H1052 H1056 L1059 L1150	L1044-I1054 HydrophobicContact CD2-CD1 3.9Å; D1047-I1054 HydrophobicContact CB-CD1 4.47Å; L1049-I1054 HydrophobicContact CD2-CD1 3.64Å; L1049-I1054 HydrophobicContact CD2-CG1 3.84Å; Q1050-I1054 CarbonylContact O-C 3.51Å; Q1050-I1054 WeakPolarHBondContact O-CG1 3.37Å; Q1050-I1054 PolarHBondContact O-N 3.17Å; G1051-I1054 PolarHBondContact O-N 2.91Å; H1052-I1054 WeakPolarHBondContact O-CG1 3.01Å; H1052-I1054 PolarHBondContact O-N 3.09Å; I1054-H1056 HydrophobicContact CG2-CB 4.47Å; I1054-H1056 PolarHBondContact O-N 2.99Å; I1054-H1056 VanDerWaalsContact O-N 3.08Å; I1054-L1059 HydrophobicContact CG2-CD1 4.09Å; I1054-L1150 HydrophobicContact CD1-CB 4.04Å; I1054-L1150 HydrophobicContact CD1-CD1 3.53Å; I1054-L1150 HydrophobicContact CD1-CG 4.36Å
1055	N	33.5	Very low	38.7	Very low	113.8 Å²	113.8	109.8 Å²	109.8	61%	0.609	60%	0.595	S	S	*	*			trans	-78.2	92.7	157.5	-76.3	-28.9	0	0	0	110.7	Q1050 G1051 F1053 A1057 N1058	Q1050-N1055 HydrophobicContact CB-CB 4.34Å; Q1050-N1055 WeakPolarHBondContact CB-ND2 3.32Å; Q1050-N1055 PolarHBondContact O-N 2.5Å; Q1050-N1055 PolarHBondContact OE1-ND2 3.26Å; G1051-N1055 WeakPolarHBondContact O-CB 2.94Å; G1051-N1055 PolarHBondContact O-ND2 3.39Å; F1053-N1055 PolarHBondContact O-N 2.96Å; N1055-A1057 HydrophobicContact CB-CB 4.35Å; N1055-A1057 WeakPolarHBondContact O-CA 3.08Å; N1055-A1057 PolarHBondContact O-N 3.09Å; N1055-N1058 HydrophobicContact CB-CB 4.46Å; N1055-N1058 PolarHBondContact O-N 3.26Å
1056	H	38.3	Very low	39.6	Very low	107.2 Å²	107.2	107.4 Å²	107.4	50%	0.496	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58	22.2	169.6	-87.5	-74.7	0	0	0	113.3	F1053 I1054 N1058 L1059 N1060 W1075	F1053-H1056 PolarHBondContact O-CD2 2.75Å; I1054-H1056 HydrophobicContact CG2-CB 4.47Å; I1054-H1056 PolarHBondContact O-N 2.99Å; I1054-H1056 VanDerWaalsContact O-N 3.08Å; H1056-N1058 VanDerWaalsContact C-N 3.34Å; H1056-N1058 PolarHBondContact O-N 2.88Å; H1056-N1058 VanDerWaalsContact O-N 3.08Å; H1056-L1059 WeakPolarHBondContact ND1-CB 3.21Å; H1056-L1059 PolarHBondContact O-N 2.91Å; H1056-L1059 VanDerWaalsContact O-N 3.13Å; H1056-N1060 PolarHBondContact O-N 3.04Å; H1056-W1075 AromaticContact NE2-CE3 3.54Å; H1056-W1075 AromaticContact NE2-CZ3 3.71Å
1057	A	37	Very low	41.2	Very low	76.8 Å²	76.8	105.3 Å²	105.3	64%	0.635	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-18.1	161.2	0	0	0	0	0	114.7	N1055 N1060	N1055-A1057 HydrophobicContact CB-CB 4.35Å; N1055-A1057 WeakPolarHBondContact O-CA 3.08Å; N1055-A1057 PolarHBondContact O-N 3.09Å; A1057-N1060 WeakPolarHBondContact O-CB 3.15Å; A1057-N1060 PolarHBondContact O-ND2 2.88Å
1058	N	34	Very low	43.2	Very low	124.2 Å²	124.2	99.6 Å²	99.6	66%	0.664	54%	0.536	S	S	*	.			trans	-104.2	25.3	-179.4	-79	-12.9	0	0	0	114	N1055 H1056 N1060 K1061 S1062	N1055-N1058 HydrophobicContact CB-CB 4.46Å; N1055-N1058 PolarHBondContact O-N 3.26Å; H1056-N1058 VanDerWaalsContact C-N 3.34Å; H1056-N1058 PolarHBondContact O-N 2.88Å; H1056-N1058 VanDerWaalsContact O-N 3.08Å; N1058-N1060 VanDerWaalsContact C-N 3.33Å; N1058-N1060 PolarHBondContact O-N 3.07Å; N1058-N1060 VanDerWaalsContact O-N 3.16Å; N1058-K1061 WeakPolarHBondContact O-CA 3.27Å; N1058-K1061 WeakPolarHBondContact O-CB 3.28Å; N1058-K1061 PolarHBondContact O-N 2.91Å; N1058-K1061 WeakPolarHBondContact OD1-CD 3.46Å; N1058-S1062 PolarHBondContact O-N 2.9Å; N1058-S1062 PolarHBondContact O-OG 2.9Å
1059	L	36.7	Very low	45.4	Very low	114 Å²	114	96.1 Å²	96.1	60%	0.597	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-70.9	4.5	167.1	-105.9	139.1	0	0	0	111.7	H1052 I1054 H1056 K1061 S1062 I1063	H1052-L1059 WeakPolarHBondContact O-CD1 2.9Å; I1054-L1059 HydrophobicContact CG2-CD1 4.09Å; H1056-L1059 WeakPolarHBondContact ND1-CB 3.21Å; H1056-L1059 PolarHBondContact O-N 2.91Å; H1056-L1059 VanDerWaalsContact O-N 3.13Å; L1059-K1061 VanDerWaalsContact C-N 3.26Å; L1059-K1061 PolarHBondContact O-N 2.92Å; L1059-S1062 PolarHBondContact O-N 3.14Å; L1059-S1062 PolarHBondContact O-OG 3.37Å; L1059-I1063 HydrophobicContact CD2-CD1 3.46Å; L1059-I1063 VanDerWaalsContact CD2-CD1 3.46Å; L1059-I1063 HydrophobicContact CD2-CG1 3.97Å
1060	N	32.7	Very low	47.6	Very low	126 Å²	126	93.7 Å²	93.7	67%	0.674	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	55.3	171.7	-75.3	-15	0	0	0	112.1	H1056 A1057 N1058 S1062 N1066	H1056-N1060 PolarHBondContact O-N 3.04Å; A1057-N1060 WeakPolarHBondContact O-CB 3.15Å; A1057-N1060 PolarHBondContact O-ND2 2.88Å; N1058-N1060 VanDerWaalsContact C-N 3.33Å; N1058-N1060 PolarHBondContact O-N 3.07Å; N1058-N1060 VanDerWaalsContact O-N 3.16Å; N1060-S1062 VanDerWaalsContact C-N 3.31Å; N1060-S1062 PolarHBondContact O-N 2.89Å; N1060-N1066 PolarHBondContact OD1-ND2 2.95Å
1061	K	35.5	Very low	50	Low	193.4 Å²	193.4	88.2 Å²	88.2	84%	0.841	48%	0.479	S	S	*	.	S	Bend	trans	-68.1	12.5	161.2	-84.6	-175.6	-179.2	179.7	0	117.1	N1058 L1059 I1063	N1058-K1061 WeakPolarHBondContact O-CA 3.27Å; N1058-K1061 WeakPolarHBondContact O-CB 3.28Å; N1058-K1061 PolarHBondContact O-N 2.91Å; N1058-K1061 WeakPolarHBondContact OD1-CD 3.46Å; L1059-K1061 VanDerWaalsContact C-N 3.26Å; L1059-K1061 PolarHBondContact O-N 2.92Å; K1061-I1063 VanDerWaalsContact C-N 3.26Å; K1061-I1063 PolarHBondContact O-N 3.28Å
1062	S	37.7	Very low	52.3	Low	90.8 Å²	90.8	85.6 Å²	85.6	64%	0.635	45%	0.452	S	S	*	.			trans	-126.8	83.8	168.2	50.4	0	0	0	0	111.6	N1058 L1059 N1060 P1064	N1058-S1062 PolarHBondContact O-N 2.9Å; N1058-S1062 PolarHBondContact O-OG 2.9Å; L1059-S1062 PolarHBondContact O-N 3.14Å; L1059-S1062 PolarHBondContact O-OG 3.37Å; N1060-S1062 VanDerWaalsContact C-N 3.31Å; N1060-S1062 PolarHBondContact O-N 2.89Å; S1062-P1064 WeakPolarHBondContact O-CD 3.47Å
1063	I	40.6	Very low	54.4	Low	97.6 Å²	97.6	80.8 Å²	80.8	50%	0.501	43%	0.434	S	S	.	.			trans	-71.4	114.6	169.4	-55.9	167.4	0	0	0	108.4	L1059 K1061 N1065 N1066	L1059-I1063 HydrophobicContact CD2-CD1 3.46Å; L1059-I1063 VanDerWaalsContact CD2-CD1 3.46Å; L1059-I1063 HydrophobicContact CD2-CG1 3.97Å; K1061-I1063 VanDerWaalsContact C-N 3.26Å; K1061-I1063 PolarHBondContact O-N 3.28Å; I1063-N1065 VanDerWaalsContact C-N 3.28Å; I1063-N1065 PolarHBondContact O-N 3.15Å; I1063-N1066 WeakPolarHBondContact CB-OD1 3.4Å; I1063-N1066 WeakPolarHBondContact CD1-OD1 3.38Å; I1063-N1066 WeakPolarHBondContact CG2-OD1 3.24Å
1064	P	43.9	Very low	56.5	Low	79.4 Å²	79.4	80.1 Å²	80.1	52%	0.516	43%	0.432	S	S	.	.			trans	-65.2	115.5	-179	17.6	-19.6	0	0	0	110.5	S1062 N1066 W1089 W1104	S1062-P1064 WeakPolarHBondContact O-CD 3.47Å; P1064-N1066 PolarHBondContact O-N 3.11Å; P1064-N1066 VanDerWaalsContact O-N 3.12Å; P1064-W1089 VanDerWaalsContact CD-CD2 3.42Å; P1064-W1089 HydrophobicContact CG-CB 4.03Å; P1064-W1089 HydrophobicContact CG-CD2 3.39Å; P1064-W1089 HydrophobicContact CG-CE3 3.7Å; P1064-W1089 HydrophobicContact CG-CG 3.55Å; P1064-W1089 HydrophobicContact CG-CZ2 4.34Å; P1064-W1089 HydrophobicContact CG-CZ3 4.27Å; P1064-W1104 HydrophobicContact CB-CZ2 4.06Å; P1064-W1104 HydrophobicContact CG-CH2 4.38Å; P1064-W1104 HydrophobicContact CG-CZ2 3.82Å
1065	N	54.2	Low	58.6	Low	154.8 Å²	154.8	78.3 Å²	78.3	83%	0.828	42%	0.419	S	S	*	.	S	Bend	trans	-62.7	10.5	176.8	-75.7	-5.7	0	0	0	113	I1063 T1067	I1063-N1065 VanDerWaalsContact C-N 3.28Å; I1063-N1065 PolarHBondContact O-N 3.15Å; N1065-T1067 PolarHBondContact O-N 3.08Å; N1065-T1067 VanDerWaalsContact O-N 3.15Å
1066	N	62.7	Low	60.6	Low	59.8 Å²	59.8	74.2 Å²	74.2	32%	0.32	40%	0.4	S	S	.	.			trans	-93.6	115.9	173.1	-81.6	24.5	0	0	0	110	H1052 N1060 I1063 P1064 V1068 W1104 N1123	H1052-N1066 PolarHBondContact CE1-ND2 2.81Å; H1052-N1066 PolarHBondContact ND1-ND2 3.37Å; H1052-N1066 VanDerWaalsContact ND1-ND2 3.17Å; N1060-N1066 PolarHBondContact OD1-ND2 2.95Å; I1063-N1066 WeakPolarHBondContact CB-OD1 3.4Å; I1063-N1066 WeakPolarHBondContact CD1-OD1 3.38Å; I1063-N1066 WeakPolarHBondContact CG2-OD1 3.24Å; P1064-N1066 PolarHBondContact O-N 3.11Å; P1064-N1066 VanDerWaalsContact O-N 3.12Å; N1066-V1068 VanDerWaalsContact C-N 3.29Å; N1066-V1068 PolarHBondContact O-N 3.15Å; N1066-W1104 WeakPolarHBondContact O-CH2 3.34Å; N1066-N1123 PolarHBondContact ND2-O 3.1Å; N1066-N1123 VanDerWaalsContact ND2-O 3.12Å
1067	T	76	Confident	61.9	Low	29.4 Å²	29.4	74.6 Å²	74.6	18%	0.18	41%	0.41	C	S	.	.	S	Bend	trans	-76.4	-10.8	173.5	51.2	0	0	0	0	112.8	N1065 V1088 W1089 N1123 D1172	N1065-T1067 PolarHBondContact O-N 3.08Å; N1065-T1067 VanDerWaalsContact O-N 3.15Å; T1067-V1088 CarbonylContact O-C 3.55Å; T1067-V1088 VanDerWaalsContact O-CA 3.29Å; T1067-V1088 WeakPolarHBondContact O-CA 3.24Å; T1067-V1088 WeakPolarHBondContact O-CG1 3.36Å; T1067-W1089 PolarHBondContact O-N 2.98Å; T1067-N1123 PolarHBondContact OG1-ND2 3.27Å; T1067-N1123 VanDerWaalsContact OG1-ND2 3.15Å; T1067-D1172 VanDerWaalsContact CG2-OD2 3.28Å; T1067-D1172 WeakPolarHBondContact CG2-OD2 3.32Å; T1067-D1172 PolarHBondContact OG1-OD1 3.08Å; T1067-D1172 PolarHBondContact OG1-OD2 3.09Å; T1067-D1172 VanDerWaalsContact OG1-OD2 3.09Å
1068	V	82.8	Confident	63.1	Low	1.6 Å²	1.6	76.5 Å²	76.5	1%	0.01	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.6	-175	179.5	0	0	0	0	110.5	N1066 L1086 E1087 V1088 A1120 N1123 I1124 L1173	N1066-V1068 VanDerWaalsContact C-N 3.29Å; N1066-V1068 PolarHBondContact O-N 3.15Å; V1068-L1086 HydrophobicContact CG1-CD1 3.49Å; V1068-L1086 VanDerWaalsContact CG1-CD1 3.46Å; V1068-E1087 WeakPolarHBondContact CA-O 3.4Å; V1068-V1088 HydrophobicContact CG2-CG2 4.44Å; V1068-A1120 HydrophobicContact CG1-CB 4.41Å; V1068-N1123 HydrophobicContact CB-CB 3.92Å; V1068-N1123 HydrophobicContact CG2-CB 3.95Å; V1068-N1123 VanDerWaalsContact CG2-ND2 3.33Å; V1068-N1123 WeakPolarHBondContact CG2-ND2 3.33Å; V1068-I1124 HydrophobicContact CB-CG2 4.5Å; V1068-I1124 HydrophobicContact CG1-CG2 4.36Å; V1068-L1173 HydrophobicContact CG2-CB 4.05Å; V1068-L1173 HydrophobicContact CG2-CD1 3.54Å; V1068-L1173 HydrophobicContact CG2-CD2 3.83Å; V1068-L1173 HydrophobicContact CG2-CG 4.46Å
1069	R	85.2	Confident	64.4	Low	75.2 Å²	75.2	73.3 Å²	73.3	28%	0.284	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.2	170.5	73.7	-175.9	-173.6	-173.8	-0.6	112	E1087 W1104	R1069-E1087 HydrophobicContact CG-CB 3.87Å; R1069-E1087 IonicContact CZ-OE2 3.08Å; R1069-E1087 PolarHBondContact N-O 3.06Å; R1069-E1087 IonicContact NE-OE2 3.03Å; R1069-E1087 PolarHBondContact NE-OE2 3.2Å; R1069-E1087 IonicContact NH2-OE2 3.32Å; R1069-E1087 PolarHBondContact NH2-OE2 3.12Å; R1069-E1087 PolarHBondContact O-N 2.98Å; R1069-W1104 HydrophobicContact CB-CH2 4.05Å; R1069-W1104 HydrophobicContact CB-CZ3 4.03Å; R1069-W1104 HydrophobicContact CG-CD2 4.29Å; R1069-W1104 HydrophobicContact CG-CE3 3.77Å; R1069-W1104 HydrophobicContact CG-CH2 3.91Å; R1069-W1104 HydrophobicContact CG-CZ2 4.42Å; R1069-W1104 HydrophobicContact CG-CZ3 3.57Å; R1069-W1104 VanDerWaalsContact CZ-CD1 3.43Å; R1069-W1104 VanDerWaalsContact CZ-CD2 3.48Å; R1069-W1104 VanDerWaalsContact CZ-CG 3.42Å; R1069-W1104 VanDerWaalsContact NE-CD2 3.35Å; R1069-W1104 VanDerWaalsContact NH1-CD1 3.32Å; R1069-W1104 VanDerWaalsContact NH1-NE1 3.16Å; R1069-W1104 VanDerWaalsContact NH2-CG 3.34Å
1070	L	87.3	Confident	66.3	Low	10.8 Å²	10.8	69.6 Å²	69.6	6%	0.057	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	109.2	173.7	-58.8	-175.9	0	0	0	110.2	F1053 Y1082 R1085 L1086 I1124 I1198	F1053-L1070 HydrophobicContact CD1-CB 4.23Å; F1053-L1070 HydrophobicContact CE1-CB 3.98Å; F1053-L1070 HydrophobicContact CE1-CD1 4.39Å; F1053-L1070 HydrophobicContact CE1-CG 4.44Å; L1070-Y1082 HydrophobicContact CB-CD1 4.43Å; L1070-Y1082 HydrophobicContact CB-CE1 3.88Å; L1070-Y1082 HydrophobicContact CD1-CD1 3.82Å; L1070-Y1082 HydrophobicContact CD1-CE1 4.08Å; L1070-Y1082 HydrophobicContact CG-CE1 4.39Å; L1070-Y1082 PolarHBondContact O-OH 2.98Å; L1070-R1085 CarbonylContact C-O 3.51Å; L1070-R1085 VanDerWaalsContact CA-O 3.28Å; L1070-R1085 WeakPolarHBondContact CA-O 3.37Å; L1070-L1086 HydrophobicContact CD2-CB 4.3Å; L1070-L1086 HydrophobicContact CD2-CD1 3.86Å; L1070-I1124 HydrophobicContact CD1-CD1 3.53Å; L1070-I1124 HydrophobicContact CG-CD1 3.94Å; L1070-I1198 HydrophobicContact CD1-CG1 4.23Å; L1070-I1198 HydrophobicContact CD2-CD1 3.89Å; L1070-I1198 HydrophobicContact CD2-CG1 3.61Å
1071	S	86.5	Confident	68.7	Low	10.8 Å²	10.8	63.6 Å²	63.6	8%	0.076	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	151.9	-177.5	71.9	0	0	0	0	112.3	G1073 R1085 E1087 A1147	S1071-G1073 PolarHBondContact O-N 3.07Å; S1071-G1073 VanDerWaalsContact O-N 3.08Å; S1071-R1085 PolarHBondContact N-O 3.07Å; S1071-R1085 PolarHBondContact O-N 2.92Å; S1071-R1085 PolarHBondContact OG-NE 2.97Å; S1071-E1087 VanDerWaalsContact CB-OE1 3.26Å; S1071-E1087 WeakPolarHBondContact CB-OE1 3.26Å; S1071-E1087 VanDerWaalsContact OG-CD 3.24Å; S1071-E1087 PolarHBondContact OG-OE1 3.01Å; S1071-A1147 WeakPolarHBondContact OG-CB 3.33Å
1072	G	83	Confident	71.2	Confident	4.6 Å²	4.6	56 Å²	56	5%	0.047	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	66.6	1.7	-175.3	0	0	0	0	0	115.1	K1146	G1072-K1146 WeakPolarHBondContact O-CD 3.17Å; G1072-K1146 WeakPolarHBondContact O-CE 3.1Å; G1072-K1146 PolarHBondContact O-NZ 2.86Å
1073	G	79.3	Confident	73.6	Confident	14 Å²	14	53.5 Å²	53.5	14%	0.144	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	167.9	-170.7	0	0	0	0	0	116.1	S1071 Y1082 Y1083 K1146	S1071-G1073 PolarHBondContact O-N 3.07Å; S1071-G1073 VanDerWaalsContact O-N 3.08Å; G1073-Y1082 VanDerWaalsContact C-OH 3.3Å; G1073-Y1082 WeakPolarHBondContact CA-OH 3.46Å; G1073-Y1082 PolarHBondContact O-OH 2.93Å; G1073-Y1083 CarbonylContact C-O 3.47Å; G1073-Y1083 WeakPolarHBondContact CA-O 3.28Å; G1073-K1146 PolarHBondContact O-NZ 2.83Å
1074	E	82.8	Confident	76	Confident	103.2 Å²	103.2	48.9 Å²	48.9	48%	0.482	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	148.4	177.5	-165.1	162.6	155.4	0	0	110.9	S1076 Y1082 Y1083 K1146	E1074-S1076 PolarHBondContact O-N 2.84Å; E1074-Y1082 VanDerWaalsContact C-CD2 3.5Å; E1074-Y1082 VanDerWaalsContact O-CD2 3.28Å; E1074-Y1082 WeakPolarHBondContact O-CD2 3.35Å; E1074-Y1083 HydrophobicContact CB-CE1 4.42Å; E1074-Y1083 HydrophobicContact CB-CE2 4.22Å; E1074-Y1083 PolarHBondContact N-O 3.16Å; E1074-Y1083 VanDerWaalsContact N-O 3.08Å; E1074-Y1083 WeakPolarHBondContact O-CD1 3.16Å; E1074-Y1083 WeakPolarHBondContact O-CE1 3.21Å; E1074-Y1083 PolarHBondContact O-N 3.04Å; E1074-K1146 IonicContact OE2-NZ 3.13Å; E1074-K1146 PolarHBondContact OE2-NZ 3.17Å
1075	W	81	Confident	78.2	Confident	56.2 Å²	56.2	45.1 Å²	45.1	21%	0.213	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	116.8	175	-169.2	-84.6	0	0	0	109.8	L1044 L1049 H1056 T1077 N1080 Y1082 L1126 R1202	L1044-W1075 HydrophobicContact CD1-CD2 4.32Å; L1044-W1075 HydrophobicContact CD1-CE3 4Å; L1044-W1075 HydrophobicContact CD1-CH2 3.66Å; L1044-W1075 HydrophobicContact CD1-CZ2 3.99Å; L1044-W1075 HydrophobicContact CD1-CZ3 3.54Å; L1044-W1075 HydrophobicContact CD2-CZ3 4.36Å; L1044-W1075 HydrophobicContact CG-CZ3 4.46Å; L1049-W1075 HydrophobicContact CD2-CB 4.16Å; L1049-W1075 HydrophobicContact CD2-CG 4.17Å; H1056-W1075 AromaticContact NE2-CE3 3.54Å; H1056-W1075 AromaticContact NE2-CZ3 3.71Å; W1075-T1077 PolarHBondContact O-N 3.18Å; W1075-T1077 VanDerWaalsContact O-N 3.14Å; W1075-N1080 HydrophobicContact CZ2-CB 4.49Å; W1075-N1080 WeakPolarHBondContact CZ2-O 3.35Å; W1075-N1080 VanDerWaalsContact CZ2-OD1 3.3Å; W1075-N1080 WeakPolarHBondContact CZ2-OD1 3.37Å; W1075-Y1082 HydrophobicContact CB-CD2 4.28Å; W1075-Y1082 AromaticContact CE3-CD2 3.84Å; W1075-Y1082 HydrophobicContact CE3-CD2 3.99Å; W1075-Y1082 HydrophobicContact CE3-CG 4.19Å; W1075-Y1082 HydrophobicContact CZ3-CG 4.4Å; W1075-L1126 HydrophobicContact CH2-CD2 4.29Å; W1075-L1126 HydrophobicContact CZ3-CD1 4.43Å; W1075-L1126 HydrophobicContact CZ3-CD2 4.28Å; W1075-R1202 HydrophobicContact CH2-CB 4.08Å; W1075-R1202 HydrophobicContact CZ2-CB 4.26Å; W1075-R1202 VanDerWaalsContact CZ2-NH1 3.28Å
1076	S	75.6	Confident	79.9	Confident	28.8 Å²	28.8	37.7 Å²	37.7	20%	0.201	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	107.4	170.3	-179.3	0	0	0	0	109.4	E1074 N1078 N1079 N1080 S1081	E1074-S1076 PolarHBondContact O-N 2.84Å; S1076-N1078 VanDerWaalsContact C-N 3.25Å; S1076-N1078 PolarHBondContact O-N 2.9Å; S1076-N1079 PolarHBondContact O-N 3.14Å; S1076-N1079 PolarHBondContact OG-N 3.05Å; S1076-N1080 WeakPolarHBondContact O-CA 3.41Å; S1076-N1080 PolarHBondContact O-N 3.05Å; S1076-S1081 WeakPolarHBondContact CB-O 3.38Å; S1076-S1081 PolarHBondContact N-O 3.05Å; S1076-S1081 PolarHBondContact O-N 3.25Å
1077	T	65.5	Low	81	Confident	114.2 Å²	114.2	35 Å²	35	70%	0.701	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.2	174.8	50.1	0	0	0	0	112.3	W1075	W1075-T1077 PolarHBondContact O-N 3.18Å; W1075-T1077 VanDerWaalsContact O-N 3.14Å
1078	N	61.8	Low	81.4	Confident	117.2 Å²	117.2	33.8 Å²	33.8	63%	0.627	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-35.6	-178.3	-66.9	-10.6	0	0	0	112.4	S1076 Q1309	S1076-N1078 VanDerWaalsContact C-N 3.25Å; S1076-N1078 PolarHBondContact O-N 2.9Å; N1078-Q1309 PolarHBondContact O-NE2 3.48Å; N1078-Q1309 VanDerWaalsContact O-NE2 3.17Å
1079	N	62.6	Low	81.2	Confident	58.4 Å²	58.4	37.3 Å²	37.3	31%	0.312	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	2.4	-174.5	-65.5	17.7	0	0	0	113.5	S1076 S1081 Q1309	S1076-N1079 PolarHBondContact O-N 3.14Å; S1076-N1079 PolarHBondContact OG-N 3.05Å; N1079-S1081 WeakPolarHBondContact CB-OG 3.46Å; N1079-S1081 WeakPolarHBondContact O-CB 3.43Å; N1079-S1081 PolarHBondContact O-N 2.95Å; N1079-S1081 PolarHBondContact O-OG 3.15Å; N1079-Q1309 PolarHBondContact ND2-OE1 2.95Å; N1079-Q1309 PolarHBondContact OD1-OE1 3.13Å
1080	N	75.9	Confident	80.5	Confident	35.8 Å²	35.8	34.2 Å²	34.2	19%	0.191	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.8	-176.1	-142.7	16.8	0	0	0	112.8	W1075 S1076 R1202	W1075-N1080 HydrophobicContact CZ2-CB 4.49Å; W1075-N1080 WeakPolarHBondContact CZ2-O 3.35Å; W1075-N1080 VanDerWaalsContact CZ2-OD1 3.3Å; W1075-N1080 WeakPolarHBondContact CZ2-OD1 3.37Å; S1076-N1080 WeakPolarHBondContact O-CA 3.41Å; S1076-N1080 PolarHBondContact O-N 3.05Å; N1080-R1202 PolarHBondContact O-N 3.16Å; N1080-R1202 VanDerWaalsContact O-N 3.1Å; N1080-R1202 PolarHBondContact OD1-NH1 2.96Å
1081	S	83.7	Confident	79.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150	-172.3	61.6	0	0	0	0	111.1	S1076 N1079 Q1199 C1200 H1201	S1076-S1081 WeakPolarHBondContact CB-O 3.38Å; S1076-S1081 PolarHBondContact N-O 3.05Å; S1076-S1081 PolarHBondContact O-N 3.25Å; N1079-S1081 WeakPolarHBondContact CB-OG 3.46Å; N1079-S1081 WeakPolarHBondContact O-CB 3.43Å; N1079-S1081 PolarHBondContact O-N 2.95Å; N1079-S1081 PolarHBondContact O-OG 3.15Å; S1081-Q1199 PolarHBondContact OG-NE2 3.16Å; S1081-Q1199 VanDerWaalsContact OG-NE2 3.16Å; S1081-C1200 CarbonylContact C-O 3.53Å; S1081-C1200 VanDerWaalsContact CA-O 3.27Å; S1081-C1200 WeakPolarHBondContact CA-O 3.38Å; S1081-C1200 VanDerWaalsContact CB-O 3.23Å; S1081-C1200 WeakPolarHBondContact CB-O 3.21Å; S1081-H1201 WeakPolarHBondContact CB-ND1 3.21Å
1082	Y	87.2	Confident	78.4	Confident	33 Å²	33	39.2 Å²	39.2	13%	0.129	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.2	177	-170.8	-111.4	0	0	0	109.2	L1049 F1053 L1070 G1073 E1074 W1075 I1124 L1126 Q1199 C1200	L1049-Y1082 HydrophobicContact CD2-CD2 4.42Å; L1049-Y1082 HydrophobicContact CD2-CE1 3.92Å; L1049-Y1082 HydrophobicContact CD2-CE2 3.95Å; L1049-Y1082 WeakPolarHBondContact CD2-OH 3.3Å; F1053-Y1082 WeakPolarHBondContact CB-OH 3.36Å; F1053-Y1082 HydrophobicContact CD1-CD1 4.02Å; F1053-Y1082 AromaticContact CD1-CE1 3.17Å; F1053-Y1082 HydrophobicContact CD1-CE1 3.17Å; F1053-Y1082 AromaticContact CD1-CE2 3.97Å; F1053-Y1082 HydrophobicContact CD1-CE2 3.97Å; F1053-Y1082 AromaticContact CD1-CZ 3.11Å; F1053-Y1082 WeakPolarHBondContact CD1-OH 3.48Å; F1053-Y1082 HydrophobicContact CD2-CE2 4.49Å; F1053-Y1082 AromaticContact CE1-CD1 3.41Å; F1053-Y1082 HydrophobicContact CE1-CD1 3.41Å; F1053-Y1082 VanDerWaalsContact CE1-CD1 3.41Å; F1053-Y1082 HydrophobicContact CE1-CD2 4.41Å; F1053-Y1082 AromaticContact CE1-CE1 3.04Å; F1053-Y1082 HydrophobicContact CE1-CE1 3.04Å; F1053-Y1082 HydrophobicContact CE1-CE2 4.1Å; F1053-Y1082 HydrophobicContact CE1-CG 4.09Å; F1053-Y1082 AromaticContact CE1-CZ 3.42Å; F1053-Y1082 VanDerWaalsContact CE1-CZ 3.42Å; F1053-Y1082 HydrophobicContact CG-CE1 4.14Å; F1053-Y1082 HydrophobicContact CG-CE2 4.15Å; F1053-Y1082 AromaticContact CG-CZ 3.63Å; F1053-Y1082 WeakPolarHBondContact CG-OH 3.31Å; F1053-Y1082 AromaticContact CZ-CD1 3.97Å; F1053-Y1082 HydrophobicContact CZ-CD1 3.97Å; F1053-Y1082 HydrophobicContact CZ-CD2 4.49Å; F1053-Y1082 AromaticContact CZ-CE1 3.96Å; F1053-Y1082 HydrophobicContact CZ-CE1 3.96Å; F1053-Y1082 HydrophobicContact CZ-CE2 4.44Å; F1053-Y1082 HydrophobicContact CZ-CG 4.23Å; L1070-Y1082 HydrophobicContact CB-CD1 4.43Å; L1070-Y1082 HydrophobicContact CB-CE1 3.88Å; L1070-Y1082 HydrophobicContact CD1-CD1 3.82Å; L1070-Y1082 HydrophobicContact CD1-CE1 4.08Å; L1070-Y1082 HydrophobicContact CG-CE1 4.39Å; L1070-Y1082 PolarHBondContact O-OH 2.98Å; G1073-Y1082 VanDerWaalsContact C-OH 3.3Å; G1073-Y1082 WeakPolarHBondContact CA-OH 3.46Å; G1073-Y1082 PolarHBondContact O-OH 2.93Å; E1074-Y1082 VanDerWaalsContact C-CD2 3.5Å; E1074-Y1082 VanDerWaalsContact O-CD2 3.28Å; E1074-Y1082 WeakPolarHBondContact O-CD2 3.35Å; W1075-Y1082 HydrophobicContact CB-CD2 4.28Å; W1075-Y1082 AromaticContact CE3-CD2 3.84Å; W1075-Y1082 HydrophobicContact CE3-CD2 3.99Å; W1075-Y1082 HydrophobicContact CE3-CG 4.19Å; W1075-Y1082 HydrophobicContact CZ3-CG 4.4Å; Y1082-I1124 HydrophobicContact CD1-CD1 4.45Å; Y1082-L1126 HydrophobicContact CD1-CD1 4.31Å; Y1082-L1126 HydrophobicContact CG-CD1 4.42Å; Y1082-Q1199 WeakPolarHBondContact O-CA 3.24Å; Y1082-C1200 PolarHBondContact N-O 3.04Å; Y1082-C1200 PolarHBondContact O-N 3.08Å
1083	Y	89.1	Confident	77.2	Confident	39.2 Å²	39.2	44.8 Å²	44.8	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.3	175.4	59.9	-92.5	0	0	0	110.6	G1073 E1074 I1139 T1143 I1198	G1073-Y1083 CarbonylContact C-O 3.47Å; G1073-Y1083 WeakPolarHBondContact CA-O 3.28Å; E1074-Y1083 HydrophobicContact CB-CE1 4.42Å; E1074-Y1083 HydrophobicContact CB-CE2 4.22Å; E1074-Y1083 PolarHBondContact N-O 3.16Å; E1074-Y1083 VanDerWaalsContact N-O 3.08Å; E1074-Y1083 WeakPolarHBondContact O-CD1 3.16Å; E1074-Y1083 WeakPolarHBondContact O-CE1 3.21Å; E1074-Y1083 PolarHBondContact O-N 3.04Å; Y1083-I1139 HydrophobicContact CD1-CG2 4.43Å; Y1083-I1139 HydrophobicContact CD2-CG2 3.71Å; Y1083-I1139 HydrophobicContact CE1-CG2 4.32Å; Y1083-I1139 HydrophobicContact CE2-CG2 3.45Å; Y1083-I1139 VanDerWaalsContact CE2-CG2 3.46Å; Y1083-I1139 HydrophobicContact CG-CG2 4.26Å; Y1083-T1143 HydrophobicContact CD2-CG2 4.45Å; Y1083-T1143 WeakPolarHBondContact CD2-OG1 3.45Å; Y1083-T1143 WeakPolarHBondContact CE2-OG1 3.25Å; Y1083-I1198 CarbonylContact C-O 3.55Å; Y1083-I1198 WeakPolarHBondContact CA-O 3.38Å; Y1083-I1198 WeakPolarHBondContact CB-O 3.29Å
1084	G	90	Very high	75.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	169.2	174.8	0	0	0	0	0	112.6	V1197 I1198	G1084-V1197 WeakPolarHBondContact O-CA 3.37Å; G1084-I1198 PolarHBondContact N-O 3.09Å; G1084-I1198 PolarHBondContact O-N 3.1Å; G1084-I1198 VanDerWaalsContact O-N 3.1Å
1085	R	90.3	Very high	74.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.7	177.1	-179.2	176.9	67.4	-172.2	1.8	110.5	L1070 S1071 E1087 I1106 A1147 N1148 M1151 D1195 L1196 V1197	L1070-R1085 CarbonylContact C-O 3.51Å; L1070-R1085 VanDerWaalsContact CA-O 3.28Å; L1070-R1085 WeakPolarHBondContact CA-O 3.37Å; S1071-R1085 PolarHBondContact N-O 3.07Å; S1071-R1085 PolarHBondContact O-N 2.92Å; S1071-R1085 PolarHBondContact OG-NE 2.97Å; R1085-E1087 IonicContact CZ-OE1 3.68Å; R1085-E1087 IonicContact NE-OE1 3.11Å; R1085-E1087 PolarHBondContact NE-OE1 3.1Å; R1085-E1087 VanDerWaalsContact NE-OE1 3.16Å; R1085-E1087 IonicContact NH2-OE1 2.95Å; R1085-E1087 PolarHBondContact NH2-OE1 3.13Å; R1085-E1087 VanDerWaalsContact NH2-OE1 3.13Å; R1085-E1087 PolarHBondContact O-N 3.25Å; R1085-I1106 HydrophobicContact CG-CG2 4.38Å; R1085-A1147 HydrophobicContact CB-CB 4.45Å; R1085-N1148 PolarHBondContact NH1-OD1 3.08Å; R1085-M1151 VanDerWaalsContact NH2-CE 3.33Å; R1085-M1151 PolarHBondContact NH2-SD 2.99Å; R1085-M1151 VanDerWaalsContact NH2-SD 3.37Å; R1085-D1195 WeakPolarHBondContact CD-OD2 3.27Å; R1085-D1195 HydrophobicContact CG-CB 4.24Å; R1085-D1195 IonicContact CZ-OD2 3.31Å; R1085-D1195 IonicContact NE-OD2 3.27Å; R1085-D1195 IonicContact NH1-OD2 3.04Å; R1085-D1195 PolarHBondContact NH1-OD2 3.12Å; R1085-L1196 CarbonylContact C-O 3.51Å; R1085-L1196 WeakPolarHBondContact CA-O 3.23Å; R1085-V1197 HydrophobicContact CB-CG2 4.35Å
1086	L	89.6	Confident	73	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.1	-177.6	-176.2	62.6	0	0	0	111.6	V1068 L1070 V1088 V1107 F1112 A1120 L1173 L1196 I1198	V1068-L1086 HydrophobicContact CG1-CD1 3.49Å; V1068-L1086 VanDerWaalsContact CG1-CD1 3.46Å; L1070-L1086 HydrophobicContact CD2-CB 4.3Å; L1070-L1086 HydrophobicContact CD2-CD1 3.86Å; L1086-V1088 HydrophobicContact CG-CG2 4.48Å; L1086-V1107 HydrophobicContact CB-CB 4.32Å; L1086-V1107 HydrophobicContact CB-CG2 4.45Å; L1086-V1107 HydrophobicContact CD2-CB 3.96Å; L1086-V1107 HydrophobicContact CD2-CG1 4.14Å; L1086-V1107 HydrophobicContact CD2-CG2 3.87Å; L1086-V1107 HydrophobicContact CG-CB 4.14Å; L1086-V1107 HydrophobicContact CG-CG2 3.85Å; L1086-V1107 PolarHBondContact O-N 3Å; L1086-V1107 VanDerWaalsContact O-N 3.1Å; L1086-F1112 HydrophobicContact CD2-CD2 4.37Å; L1086-F1112 HydrophobicContact CD2-CE2 3.49Å; L1086-F1112 VanDerWaalsContact CD2-CE2 3.47Å; L1086-F1112 HydrophobicContact CD2-CZ 3.63Å; L1086-A1120 HydrophobicContact CD1-CB 4Å; L1086-A1120 HydrophobicContact CD2-CB 4.3Å; L1086-L1173 HydrophobicContact CD1-CD2 4.36Å; L1086-L1173 HydrophobicContact CD2-CD2 4.3Å; L1086-L1196 HydrophobicContact CD2-CD2 3.97Å; L1086-L1196 PolarHBondContact N-O 3.13Å; L1086-I1198 HydrophobicContact CD1-CD1 4.09Å; L1086-I1198 HydrophobicContact CD2-CD1 4.47Å
1087	E	86.2	Confident	72.1	Confident	1.6 Å²	1.6	57 Å²	57	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.4	174.4	-66.9	175.3	-169.7	0	0	110.1	V1068 R1069 S1071 R1085 W1104 A1105 I1106	V1068-E1087 WeakPolarHBondContact CA-O 3.4Å; R1069-E1087 HydrophobicContact CG-CB 3.87Å; R1069-E1087 IonicContact CZ-OE2 3.08Å; R1069-E1087 PolarHBondContact N-O 3.06Å; R1069-E1087 IonicContact NE-OE2 3.03Å; R1069-E1087 PolarHBondContact NE-OE2 3.2Å; R1069-E1087 IonicContact NH2-OE2 3.32Å; R1069-E1087 PolarHBondContact NH2-OE2 3.12Å; R1069-E1087 PolarHBondContact O-N 2.98Å; S1071-E1087 VanDerWaalsContact CB-OE1 3.26Å; S1071-E1087 WeakPolarHBondContact CB-OE1 3.26Å; S1071-E1087 VanDerWaalsContact OG-CD 3.24Å; S1071-E1087 PolarHBondContact OG-OE1 3.01Å; R1085-E1087 IonicContact CZ-OE1 3.68Å; R1085-E1087 IonicContact NE-OE1 3.11Å; R1085-E1087 PolarHBondContact NE-OE1 3.1Å; R1085-E1087 VanDerWaalsContact NE-OE1 3.16Å; R1085-E1087 IonicContact NH2-OE1 2.95Å; R1085-E1087 PolarHBondContact NH2-OE1 3.13Å; R1085-E1087 VanDerWaalsContact NH2-OE1 3.13Å; R1085-E1087 PolarHBondContact O-N 3.25Å; E1087-W1104 HydrophobicContact CB-CE3 4.06Å; E1087-W1104 WeakPolarHBondContact O-CZ3 3.4Å; E1087-A1105 CarbonylContact C-O 3.58Å; E1087-A1105 VanDerWaalsContact CA-O 3.27Å; E1087-A1105 WeakPolarHBondContact CA-O 3.31Å; E1087-I1106 HydrophobicContact CG-CG1 4.29Å
1088	V	83.4	Confident	71.6	Confident	4.8 Å²	4.8	56.5 Å²	56.5	3%	0.029	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.5	-176.1	-175.5	0	0	0	0	109.9	T1067 V1068 L1086 I1090 W1104 A1105 V1107 I1161 L1173	T1067-V1088 CarbonylContact O-C 3.55Å; T1067-V1088 VanDerWaalsContact O-CA 3.29Å; T1067-V1088 WeakPolarHBondContact O-CA 3.24Å; T1067-V1088 WeakPolarHBondContact O-CG1 3.36Å; V1068-V1088 HydrophobicContact CG2-CG2 4.44Å; L1086-V1088 HydrophobicContact CG-CG2 4.48Å; V1088-I1090 PolarHBondContact O-N 3.24Å; V1088-W1104 VanDerWaalsContact C-CE3 3.48Å; V1088-W1104 WeakPolarHBondContact O-CA 3.42Å; V1088-A1105 PolarHBondContact N-O 3.03Å; V1088-A1105 PolarHBondContact O-N 2.97Å; V1088-V1107 HydrophobicContact CG2-CG2 3.66Å; V1088-I1161 HydrophobicContact CB-CD1 4.13Å; V1088-I1161 HydrophobicContact CG1-CD1 4.41Å; V1088-I1161 HydrophobicContact CG2-CD1 4.28Å; V1088-L1173 HydrophobicContact CG1-CD2 4.39Å; V1088-L1173 HydrophobicContact CG2-CD2 3.6Å; V1088-L1173 HydrophobicContact CG2-CG 4.39Å
1089	W	79.8	Confident	71.2	Confident	76 Å²	76	53.4 Å²	53.4	29%	0.288	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	119.9	175.6	-177	-99.5	0	0	0	110.1	P1064 T1067 S1091 G1102 W1104	P1064-W1089 VanDerWaalsContact CD-CD2 3.42Å; P1064-W1089 HydrophobicContact CG-CB 4.03Å; P1064-W1089 HydrophobicContact CG-CD2 3.39Å; P1064-W1089 HydrophobicContact CG-CE3 3.7Å; P1064-W1089 HydrophobicContact CG-CG 3.55Å; P1064-W1089 HydrophobicContact CG-CZ2 4.34Å; P1064-W1089 HydrophobicContact CG-CZ3 4.27Å; T1067-W1089 PolarHBondContact O-N 2.98Å; W1089-S1091 PolarHBondContact NE1-OG 2.84Å; W1089-G1102 VanDerWaalsContact CH2-C 3.5Å; W1089-G1102 VanDerWaalsContact CH2-O 3.25Å; W1089-G1102 WeakPolarHBondContact CH2-O 3.27Å; W1089-G1102 VanDerWaalsContact CZ2-C 3.48Å; W1089-G1102 VanDerWaalsContact CZ2-CA 3.46Å; W1089-W1104 HydrophobicContact CB-CD2 4.4Å; W1089-W1104 HydrophobicContact CB-CE3 4.11Å; W1089-W1104 HydrophobicContact CB-CH2 3.96Å; W1089-W1104 HydrophobicContact CB-CZ2 4.24Å; W1089-W1104 HydrophobicContact CB-CZ3 3.88Å; W1089-W1104 AromaticContact CE3-CD1 3.52Å; W1089-W1104 VanDerWaalsContact CE3-CD1 3.47Å; W1089-W1104 AromaticContact CE3-CD2 3.82Å; W1089-W1104 HydrophobicContact CE3-CD2 3.82Å; W1089-W1104 AromaticContact CE3-CE2 3.51Å; W1089-W1104 VanDerWaalsContact CE3-CE2 3.46Å; W1089-W1104 AromaticContact CE3-CG 3.85Å; W1089-W1104 HydrophobicContact CE3-CG 3.85Å; W1089-W1104 AromaticContact CE3-CZ2 3.99Å; W1089-W1104 HydrophobicContact CE3-CZ2 4.11Å; W1089-W1104 AromaticContact CE3-NE1 3.29Å; W1089-W1104 VanDerWaalsContact CE3-NE1 3.28Å; W1089-W1104 AromaticContact CZ3-CD1 3.54Å; W1089-W1104 VanDerWaalsContact CZ3-CD1 3.48Å; W1089-W1104 HydrophobicContact CZ3-CG 4.26Å; W1089-W1104 AromaticContact CZ3-NE1 3.44Å
1090	I	71	Confident	71.1	Confident	10.4 Å²	10.4	56.8 Å²	56.8	5%	0.053	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.4	174.3	-56.9	179.5	0	0	0	107.8	V1088 R1092 G1102 Y1103 A1105 I1161 Y1178 Y1180	V1088-I1090 PolarHBondContact O-N 3.24Å; I1090-R1092 HydrophobicContact CG2-CG 4.17Å; I1090-G1102 CarbonylContact O-C 3.46Å; I1090-G1102 WeakPolarHBondContact O-CA 3.34Å; I1090-Y1103 HydrophobicContact CB-CE1 4.4Å; I1090-Y1103 HydrophobicContact CB-CE2 4.27Å; I1090-Y1103 HydrophobicContact CD1-CE2 4.05Å; I1090-Y1103 HydrophobicContact CG1-CE2 4.47Å; I1090-Y1103 HydrophobicContact CG2-CE1 4.41Å; I1090-Y1103 PolarHBondContact N-O 3.04Å; I1090-Y1103 PolarHBondContact O-N 2.97Å; I1090-Y1103 VanDerWaalsContact O-N 3.13Å; I1090-A1105 HydrophobicContact CD1-CB 3.6Å; I1090-A1105 HydrophobicContact CG1-CB 4.17Å; I1090-I1161 HydrophobicContact CD1-CD1 3.93Å; I1090-I1161 HydrophobicContact CD1-CG1 4.06Å; I1090-I1161 HydrophobicContact CG1-CD1 4.41Å; I1090-Y1178 HydrophobicContact CD1-CD2 4.37Å; I1090-Y1178 HydrophobicContact CD1-CE2 4.36Å; I1090-Y1178 HydrophobicContact CG2-CE2 3.97Å; I1090-Y1180 HydrophobicContact CD1-CD2 3.47Å; I1090-Y1180 VanDerWaalsContact CD1-CD2 3.47Å; I1090-Y1180 HydrophobicContact CD1-CE2 4.15Å; I1090-Y1180 HydrophobicContact CD1-CG 4.29Å; I1090-Y1180 HydrophobicContact CG2-CE1 4.22Å; I1090-Y1180 WeakPolarHBondContact CG2-OH 3.44Å
1091	S	67.5	Low	70.6	Confident	53.2 Å²	53.2	59.7 Å²	59.7	37%	0.372	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.4	170.1	-145.6	0	0	0	0	110.4	W1089 E1100	W1089-S1091 PolarHBondContact NE1-OG 2.84Å; S1091-E1100 VanDerWaalsContact CB-OE1 3.32Å; S1091-E1100 WeakPolarHBondContact CB-OE1 3.37Å; S1091-E1100 VanDerWaalsContact OG-CD 3.27Å; S1091-E1100 WeakPolarHBondContact OG-CG 3.43Å; S1091-E1100 PolarHBondContact OG-OE1 3.21Å
1092	R	61.4	Low	70	Confident	72 Å²	72	61 Å²	61	27%	0.272	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.3	177.2	-70.7	-165.9	-168.9	-178.2	12.6	110.8	I1090 N1094 E1100 Y1101 Y1103 D1159 Y1180	I1090-R1092 HydrophobicContact CG2-CG 4.17Å; R1092-N1094 PolarHBondContact O-N 3.02Å; R1092-E1100 CarbonylContact O-C 3.54Å; R1092-E1100 VanDerWaalsContact O-CA 3.28Å; R1092-E1100 WeakPolarHBondContact O-CA 3.35Å; R1092-E1100 WeakPolarHBondContact O-CG 3.49Å; R1092-Y1101 WeakPolarHBondContact CA-O 3.36Å; R1092-Y1101 HydrophobicContact CB-CD1 4.11Å; R1092-Y1101 HydrophobicContact CB-CD2 4.44Å; R1092-Y1101 HydrophobicContact CB-CE1 3.77Å; R1092-Y1101 HydrophobicContact CB-CE2 4.16Å; R1092-Y1101 HydrophobicContact CB-CG 4.46Å; R1092-Y1101 WeakPolarHBondContact CB-O 3.41Å; R1092-Y1101 VanDerWaalsContact CD-CZ 3.42Å; R1092-Y1101 WeakPolarHBondContact CD-OH 3.33Å; R1092-Y1101 HydrophobicContact CG-CE2 4.32Å; R1092-Y1101 PolarHBondContact N-O 3.03Å; R1092-Y1101 PolarHBondContact NH1-OH 2.99Å; R1092-Y1101 VanDerWaalsContact NH1-OH 3.16Å; R1092-Y1101 WeakPolarHBondContact O-CD1 3.37Å; R1092-Y1101 PolarHBondContact O-N 3.13Å; R1092-Y1101 VanDerWaalsContact O-O 3.14Å; R1092-Y1103 HydrophobicContact CG-CE1 4.15Å; R1092-Y1103 VanDerWaalsContact CZ-OH 3.23Å; R1092-Y1103 PolarHBondContact NE-OH 3.02Å; R1092-Y1103 VanDerWaalsContact NH2-CZ 3.29Å; R1092-Y1103 PolarHBondContact NH2-OH 3.05Å; R1092-D1159 IonicContact NH2-OD2 3.17Å; R1092-D1159 PolarHBondContact NH2-OD2 3.06Å; R1092-Y1180 VanDerWaalsContact NH2-CZ 3.25Å; R1092-Y1180 PolarHBondContact NH2-OH 3.1Å
1093	I	58.3	Low	69.4	Low	121.8 Å²	121.8	61.1 Å²	61.1	63%	0.625	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.5	167.8	-58.8	169.1	0	0	0	107.7	Q1095 E1100	I1093-Q1095 PolarHBondContact O-N 3.15Å; I1093-Q1095 VanDerWaalsContact O-N 3.15Å; I1093-E1100 HydrophobicContact CG1-CG 4.02Å
1094	N	49.3	Very low	69	Low	58.2 Å²	58.2	61.8 Å²	61.8	31%	0.311	32%	0.321	S	S	.	.			trans	-69	113.1	171.5	-167.2	-12.1	0	0	0	108.8	R1092 I1096 S1097 S1098 S1099 Y1101	R1092-N1094 PolarHBondContact O-N 3.02Å; N1094-I1096 PolarHBondContact O-N 3.16Å; N1094-I1096 VanDerWaalsContact O-N 3.15Å; N1094-I1096 PolarHBondContact OD1-N 3Å; N1094-S1097 VanDerWaalsContact CB-OG 3.29Å; N1094-S1097 WeakPolarHBondContact CB-OG 3.4Å; N1094-S1097 VanDerWaalsContact CG-OG 3.29Å; N1094-S1097 PolarHBondContact ND2-OG 2.84Å; N1094-S1097 VanDerWaalsContact ND2-OG 3.09Å; N1094-S1097 PolarHBondContact O-N 3.01Å; N1094-S1098 WeakPolarHBondContact O-CA 3.29Å; N1094-S1098 PolarHBondContact O-N 3.02Å; N1094-S1099 VanDerWaalsContact CB-O 3.28Å; N1094-S1099 WeakPolarHBondContact CB-O 3.46Å; N1094-S1099 PolarHBondContact N-O 3.1Å; N1094-Y1101 HydrophobicContact CB-CD1 3.95Å; N1094-Y1101 HydrophobicContact CB-CE1 3.91Å
1095	Q	51.2	Low	68.5	Low	179.8 Å²	179.8	61.8 Å²	61.8	84%	0.84	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.7	-174.3	-68.5	-173.8	-4	0	0	113.3	Y681 I1093	Y681-Q1095 PolarHBondContact OH-NE2 2.91Å; I1093-Q1095 PolarHBondContact O-N 3.15Å; I1093-Q1095 VanDerWaalsContact O-N 3.15Å
1096	I	53.4	Low	68.1	Low	164.6 Å²	164.6	62 Å²	62	84%	0.844	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-45	-176.4	-57.5	169.7	0	0	0	111.4	N1094	N1094-I1096 PolarHBondContact O-N 3.16Å; N1094-I1096 VanDerWaalsContact O-N 3.15Å; N1094-I1096 PolarHBondContact OD1-N 3Å
1097	S	55.9	Low	67.9	Low	57.4 Å²	57.4	62.1 Å²	62.1	40%	0.401	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-5.3	-176.2	56.1	0	0	0	0	113.8	N1094 S1099	N1094-S1097 VanDerWaalsContact CB-OG 3.29Å; N1094-S1097 WeakPolarHBondContact CB-OG 3.4Å; N1094-S1097 VanDerWaalsContact CG-OG 3.29Å; N1094-S1097 PolarHBondContact ND2-OG 2.84Å; N1094-S1097 VanDerWaalsContact ND2-OG 3.09Å; N1094-S1097 PolarHBondContact O-N 3.01Å; S1097-S1099 PolarHBondContact O-N 3.05Å; S1097-S1099 WeakPolarHBondContact OG-CB 3.35Å; S1097-S1099 PolarHBondContact OG-N 2.96Å; S1097-S1099 PolarHBondContact OG-OG 3.06Å
1098	S	55.2	Low	67.6	Low	103.8 Å²	103.8	62.2 Å²	62.2	73%	0.726	32%	0.324	S	S	*	.			trans	53.3	13.2	-168.2	43.1	0	0	0	0	114.4	N1094	N1094-S1098 WeakPolarHBondContact O-CA 3.29Å; N1094-S1098 PolarHBondContact O-N 3.02Å
1099	S	54.9	Low	67.4	Low	52.2 Å²	52.2	64.8 Å²	64.8	37%	0.365	34%	0.336	S	S	.	.			trans	-88.8	130.1	-178.4	65.7	0	0	0	0	110.3	N1094 S1097 Y1101	N1094-S1099 VanDerWaalsContact CB-O 3.28Å; N1094-S1099 WeakPolarHBondContact CB-O 3.46Å; N1094-S1099 PolarHBondContact N-O 3.1Å; S1097-S1099 PolarHBondContact O-N 3.05Å; S1097-S1099 WeakPolarHBondContact OG-CB 3.35Å; S1097-S1099 PolarHBondContact OG-N 2.96Å; S1097-S1099 PolarHBondContact OG-OG 3.06Å; S1099-Y1101 PolarHBondContact O-N 2.97Å
1100	E	59.3	Low	66.9	Low	128.2 Å²	128.2	66.2 Å²	66.2	60%	0.599	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	128.9	170.8	-131.5	176.8	169.4	0	0	110.2	S1091 R1092 I1093	S1091-E1100 VanDerWaalsContact CB-OE1 3.32Å; S1091-E1100 WeakPolarHBondContact CB-OE1 3.37Å; S1091-E1100 VanDerWaalsContact OG-CD 3.27Å; S1091-E1100 WeakPolarHBondContact OG-CG 3.43Å; S1091-E1100 PolarHBondContact OG-OE1 3.21Å; R1092-E1100 CarbonylContact O-C 3.54Å; R1092-E1100 VanDerWaalsContact O-CA 3.28Å; R1092-E1100 WeakPolarHBondContact O-CA 3.35Å; R1092-E1100 WeakPolarHBondContact O-CG 3.49Å; I1093-E1100 HydrophobicContact CG1-CG 4.02Å
1101	Y	66.7	Low	66.6	Low	97.2 Å²	97.2	67.3 Å²	67.3	38%	0.381	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.8	167.5	69.2	-82.9	0	0	0	108.5	R1092 N1094 S1099 Y1103	R1092-Y1101 WeakPolarHBondContact CA-O 3.36Å; R1092-Y1101 HydrophobicContact CB-CD1 4.11Å; R1092-Y1101 HydrophobicContact CB-CD2 4.44Å; R1092-Y1101 HydrophobicContact CB-CE1 3.77Å; R1092-Y1101 HydrophobicContact CB-CE2 4.16Å; R1092-Y1101 HydrophobicContact CB-CG 4.46Å; R1092-Y1101 WeakPolarHBondContact CB-O 3.41Å; R1092-Y1101 VanDerWaalsContact CD-CZ 3.42Å; R1092-Y1101 WeakPolarHBondContact CD-OH 3.33Å; R1092-Y1101 HydrophobicContact CG-CE2 4.32Å; R1092-Y1101 PolarHBondContact N-O 3.03Å; R1092-Y1101 PolarHBondContact NH1-OH 2.99Å; R1092-Y1101 VanDerWaalsContact NH1-OH 3.16Å; R1092-Y1101 WeakPolarHBondContact O-CD1 3.37Å; R1092-Y1101 PolarHBondContact O-N 3.13Å; R1092-Y1101 VanDerWaalsContact O-O 3.14Å; N1094-Y1101 HydrophobicContact CB-CD1 3.95Å; N1094-Y1101 HydrophobicContact CB-CE1 3.91Å; S1099-Y1101 PolarHBondContact O-N 2.97Å; Y1101-Y1103 HydrophobicContact CD2-CD1 4.37Å; Y1101-Y1103 HydrophobicContact CE2-CD1 4.26Å; Y1101-Y1103 HydrophobicContact CE2-CE1 4.29Å
1102	G	69.9	Low	67.2	Low	27.4 Å²	27.4	65.7 Å²	65.7	28%	0.282	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.6	177.4	0	0	0	0	0	112.4	W1089 I1090	W1089-G1102 VanDerWaalsContact CH2-C 3.5Å; W1089-G1102 VanDerWaalsContact CH2-O 3.25Å; W1089-G1102 WeakPolarHBondContact CH2-O 3.27Å; W1089-G1102 VanDerWaalsContact CZ2-C 3.48Å; W1089-G1102 VanDerWaalsContact CZ2-CA 3.46Å; I1090-G1102 CarbonylContact O-C 3.46Å; I1090-G1102 WeakPolarHBondContact O-CA 3.34Å
1103	Y	75.3	Confident	68.1	Low	35.2 Å²	35.2	64.6 Å²	64.6	14%	0.138	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	159.9	178.2	58.2	-87.3	0	0	0	110	I1090 R1092 Y1101 A1105 D1159 Y1180	I1090-Y1103 HydrophobicContact CB-CE1 4.4Å; I1090-Y1103 HydrophobicContact CB-CE2 4.27Å; I1090-Y1103 HydrophobicContact CD1-CE2 4.05Å; I1090-Y1103 HydrophobicContact CG1-CE2 4.47Å; I1090-Y1103 HydrophobicContact CG2-CE1 4.41Å; I1090-Y1103 PolarHBondContact N-O 3.04Å; I1090-Y1103 PolarHBondContact O-N 2.97Å; I1090-Y1103 VanDerWaalsContact O-N 3.13Å; R1092-Y1103 HydrophobicContact CG-CE1 4.15Å; R1092-Y1103 VanDerWaalsContact CZ-OH 3.23Å; R1092-Y1103 PolarHBondContact NE-OH 3.02Å; R1092-Y1103 VanDerWaalsContact NH2-CZ 3.29Å; R1092-Y1103 PolarHBondContact NH2-OH 3.05Å; Y1101-Y1103 HydrophobicContact CD2-CD1 4.37Å; Y1101-Y1103 HydrophobicContact CE2-CD1 4.26Å; Y1101-Y1103 HydrophobicContact CE2-CE1 4.29Å; Y1103-A1105 HydrophobicContact CD2-CB 4.37Å; Y1103-A1105 HydrophobicContact CE2-CB 4.07Å; Y1103-D1159 HydrophobicContact CD2-CB 4.17Å; Y1103-D1159 WeakPolarHBondContact CD2-OD2 3.19Å; Y1103-D1159 HydrophobicContact CE2-CB 3.72Å; Y1103-D1159 VanDerWaalsContact CE2-CB 3.43Å; Y1103-D1159 WeakPolarHBondContact CE2-OD2 3.41Å; Y1103-D1159 VanDerWaalsContact CZ-OD2 3.24Å; Y1103-D1159 PolarHBondContact OH-OD2 3.25Å; Y1103-Y1180 HydrophobicContact CE2-CD2 4.21Å; Y1103-Y1180 AromaticContact CE2-CE2 3.44Å; Y1103-Y1180 HydrophobicContact CE2-CE2 3.85Å; Y1103-Y1180 VanDerWaalsContact CE2-CE2 3.44Å; Y1103-Y1180 AromaticContact CE2-CZ 4Å; Y1103-Y1180 AromaticContact CZ-CE2 3.64Å; Y1103-Y1180 VanDerWaalsContact CZ-CE2 3.41Å; Y1103-Y1180 AromaticContact CZ-CZ 3.56Å; Y1103-Y1180 VanDerWaalsContact OH-CD2 3.22Å; Y1103-Y1180 WeakPolarHBondContact OH-CD2 3.49Å; Y1103-Y1180 VanDerWaalsContact OH-CE1 3.31Å; Y1103-Y1180 WeakPolarHBondContact OH-CE1 3.43Å; Y1103-Y1180 WeakPolarHBondContact OH-CE2 3.21Å; Y1103-Y1180 PolarHBondContact OH-OH 2.89Å
1104	W	80	Confident	69.3	Low	53.4 Å²	53.4	63.7 Å²	63.7	20%	0.202	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.4	172.8	-70.6	97.4	0	0	0	109.4	P1064 N1066 R1069 E1087 V1088 W1089	P1064-W1104 HydrophobicContact CB-CZ2 4.06Å; P1064-W1104 HydrophobicContact CG-CH2 4.38Å; P1064-W1104 HydrophobicContact CG-CZ2 3.82Å; N1066-W1104 WeakPolarHBondContact O-CH2 3.34Å; R1069-W1104 HydrophobicContact CB-CH2 4.05Å; R1069-W1104 HydrophobicContact CB-CZ3 4.03Å; R1069-W1104 HydrophobicContact CG-CD2 4.29Å; R1069-W1104 HydrophobicContact CG-CE3 3.77Å; R1069-W1104 HydrophobicContact CG-CH2 3.91Å; R1069-W1104 HydrophobicContact CG-CZ2 4.42Å; R1069-W1104 HydrophobicContact CG-CZ3 3.57Å; R1069-W1104 VanDerWaalsContact CZ-CD1 3.43Å; R1069-W1104 VanDerWaalsContact CZ-CD2 3.48Å; R1069-W1104 VanDerWaalsContact CZ-CG 3.42Å; R1069-W1104 VanDerWaalsContact NE-CD2 3.35Å; R1069-W1104 VanDerWaalsContact NH1-CD1 3.32Å; R1069-W1104 VanDerWaalsContact NH1-NE1 3.16Å; R1069-W1104 VanDerWaalsContact NH2-CG 3.34Å; E1087-W1104 HydrophobicContact CB-CE3 4.06Å; E1087-W1104 WeakPolarHBondContact O-CZ3 3.4Å; V1088-W1104 VanDerWaalsContact C-CE3 3.48Å; V1088-W1104 WeakPolarHBondContact O-CA 3.42Å; W1089-W1104 HydrophobicContact CB-CD2 4.4Å; W1089-W1104 HydrophobicContact CB-CE3 4.11Å; W1089-W1104 HydrophobicContact CB-CH2 3.96Å; W1089-W1104 HydrophobicContact CB-CZ2 4.24Å; W1089-W1104 HydrophobicContact CB-CZ3 3.88Å; W1089-W1104 AromaticContact CE3-CD1 3.52Å; W1089-W1104 VanDerWaalsContact CE3-CD1 3.47Å; W1089-W1104 AromaticContact CE3-CD2 3.82Å; W1089-W1104 HydrophobicContact CE3-CD2 3.82Å; W1089-W1104 AromaticContact CE3-CE2 3.51Å; W1089-W1104 VanDerWaalsContact CE3-CE2 3.46Å; W1089-W1104 AromaticContact CE3-CG 3.85Å; W1089-W1104 HydrophobicContact CE3-CG 3.85Å; W1089-W1104 AromaticContact CE3-CZ2 3.99Å; W1089-W1104 HydrophobicContact CE3-CZ2 4.11Å; W1089-W1104 AromaticContact CE3-NE1 3.29Å; W1089-W1104 VanDerWaalsContact CE3-NE1 3.28Å; W1089-W1104 AromaticContact CZ3-CD1 3.54Å; W1089-W1104 VanDerWaalsContact CZ3-CD1 3.48Å; W1089-W1104 HydrophobicContact CZ3-CG 4.26Å; W1089-W1104 AromaticContact CZ3-NE1 3.44Å
1105	A	79	Confident	71	Confident	0.4 Å²	0.4	63 Å²	63	0%	0.003	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.8	176.4	0	0	0	0	0	110.9	E1087 V1088 I1090 Y1103 D1159 I1161	E1087-A1105 CarbonylContact C-O 3.58Å; E1087-A1105 VanDerWaalsContact CA-O 3.27Å; E1087-A1105 WeakPolarHBondContact CA-O 3.31Å; V1088-A1105 PolarHBondContact N-O 3.03Å; V1088-A1105 PolarHBondContact O-N 2.97Å; I1090-A1105 HydrophobicContact CD1-CB 3.6Å; I1090-A1105 HydrophobicContact CG1-CB 4.17Å; Y1103-A1105 HydrophobicContact CD2-CB 4.37Å; Y1103-A1105 HydrophobicContact CE2-CB 4.07Å; A1105-D1159 CarbonylContact C-O 3.29Å; A1105-D1159 VanDerWaalsContact CA-O 3.28Å; A1105-D1159 WeakPolarHBondContact CA-O 3.31Å; A1105-D1159 HydrophobicContact CB-CB 4.48Å; A1105-D1159 VanDerWaalsContact CB-O 3.29Å; A1105-D1159 WeakPolarHBondContact CB-O 3.4Å; A1105-I1161 HydrophobicContact CB-CD1 3.91Å; A1105-I1161 HydrophobicContact CB-CG1 3.7Å
1106	I	83.8	Confident	72.7	Confident	4.8 Å²	4.8	54.4 Å²	54.4	3%	0.025	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	132.9	179.9	-59.8	169.4	0	0	0	109	R1085 E1087 M1151 D1159 H1160 I1161 D1195	R1085-I1106 HydrophobicContact CG-CG2 4.38Å; E1087-I1106 HydrophobicContact CG-CG1 4.29Å; I1106-M1151 HydrophobicContact CD1-CE 3.89Å; I1106-M1151 HydrophobicContact CD1-SD 4.41Å; I1106-M1151 HydrophobicContact CG1-CE 4.42Å; I1106-D1159 PolarHBondContact N-O 3Å; I1106-D1159 VanDerWaalsContact N-O 3.09Å; I1106-H1160 CarbonylContact O-C 3.51Å; I1106-H1160 VanDerWaalsContact O-CA 3.28Å; I1106-H1160 WeakPolarHBondContact O-CA 3.2Å; I1106-I1161 PolarHBondContact O-N 3.08Å; I1106-D1195 HydrophobicContact CG2-CB 4.35Å
1107	V	84	Confident	74.4	Confident	1.8 Å²	1.8	46.6 Å²	46.6	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	137.4	177.9	-174.8	0	0	0	0	110.4	L1086 V1088 F1112 I1161 I1164 L1196	L1086-V1107 HydrophobicContact CB-CB 4.32Å; L1086-V1107 HydrophobicContact CB-CG2 4.45Å; L1086-V1107 HydrophobicContact CD2-CB 3.96Å; L1086-V1107 HydrophobicContact CD2-CG1 4.14Å; L1086-V1107 HydrophobicContact CD2-CG2 3.87Å; L1086-V1107 HydrophobicContact CG-CB 4.14Å; L1086-V1107 HydrophobicContact CG-CG2 3.85Å; L1086-V1107 PolarHBondContact O-N 3Å; L1086-V1107 VanDerWaalsContact O-N 3.1Å; V1088-V1107 HydrophobicContact CG2-CG2 3.66Å; V1107-F1112 HydrophobicContact CG1-CD2 4.04Å; V1107-F1112 HydrophobicContact CG1-CE2 4.41Å; V1107-I1161 HydrophobicContact CG2-CB 4.44Å; V1107-I1161 HydrophobicContact CG2-CD1 4.32Å; V1107-I1164 HydrophobicContact CB-CD1 4.36Å; V1107-I1164 HydrophobicContact CG1-CD1 3.72Å; V1107-I1164 HydrophobicContact CG1-CG1 4.25Å; V1107-I1164 HydrophobicContact CG2-CD1 3.76Å; V1107-L1196 HydrophobicContact CB-CB 4.46Å; V1107-L1196 HydrophobicContact CB-CD2 4.44Å; V1107-L1196 HydrophobicContact CG1-CB 4.49Å; V1107-L1196 HydrophobicContact CG1-CD2 4Å; V1107-L1196 VanDerWaalsContact O-CB 3.25Å; V1107-L1196 WeakPolarHBondContact O-CB 3.34Å; V1107-L1196 PolarHBondContact O-N 3.13Å
1108	C	81.3	Confident	76	Confident	3.8 Å²	3.8	44.4 Å²	44.4	3%	0.026	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-90.2	154.4	175.7	-55.4	0	0	0	0	111.9	D1110 I1161 C1190 M1194	C1108-D1110 VanDerWaalsContact C-N 3.27Å; C1108-D1110 PolarHBondContact O-N 2.96Å; C1108-I1161 PolarHBondContact N-O 3.18Å; C1108-I1161 VanDerWaalsContact N-O 3.13Å; C1108-I1161 PolarHBondContact SG-O 3.17Å; C1108-C1190 HydrophobicContact CB-CB 4.11Å; C1108-C1190 WeakPolarHBondContact CB-SG 3.34Å; C1108-C1190 WeakPolarHBondContact SG-CB 3.29Å; C1108-C1190 CovalentContact SG-SG 2.02Å; C1108-C1190 PolarHBondContact SG-SG 3.06Å; C1108-M1194 WeakPolarHBondContact CA-O 3.36Å
1109	E	77.3	Confident	77.5	Confident	60.2 Å²	60.2	39.5 Å²	39.5	28%	0.281	21%	0.205	S	C	.	.	S	Bend	trans	-64	-30.1	-179.7	-157.6	174.3	174.8	0	0	112.9	G1111 R1140 M1194 L1196	E1109-G1111 PolarHBondContact O-N 2.85Å; E1109-R1140 VanDerWaalsContact CD-NH1 3.33Å; E1109-R1140 IonicContact OE1-CZ 2.71Å; E1109-R1140 IonicContact OE1-NH1 3.13Å; E1109-R1140 PolarHBondContact OE1-NH1 2.85Å; E1109-R1140 IonicContact OE2-CZ 3.29Å; E1109-R1140 IonicContact OE2-NH1 3.23Å; E1109-R1140 PolarHBondContact OE2-NH1 3Å; E1109-R1140 IonicContact OE2-NH2 2.85Å; E1109-R1140 PolarHBondContact OE2-NH2 2.85Å; E1109-R1140 VanDerWaalsContact OE2-NH2 3.1Å; E1109-M1194 PolarHBondContact N-O 2.87Å; E1109-M1194 VanDerWaalsContact N-O 3.08Å; E1109-L1196 HydrophobicContact CB-CD1 4.07Å; E1109-L1196 HydrophobicContact CG-CB 4.04Å; E1109-L1196 HydrophobicContact CG-CD1 4Å
1110	D	69.9	Low	79	Confident	103.6 Å²	103.6	37 Å²	37	55%	0.554	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	130.4	-178.2	-83.2	-21.2	0	0	0	113	C1108 F1112 T1162 M1194	C1108-D1110 VanDerWaalsContact C-N 3.27Å; C1108-D1110 PolarHBondContact O-N 2.96Å; D1110-F1112 VanDerWaalsContact C-N 3.3Å; D1110-F1112 PolarHBondContact O-N 3.13Å; D1110-T1162 VanDerWaalsContact O-O 3.09Å; D1110-M1194 WeakPolarHBondContact OD1-CE 3.47Å; D1110-M1194 VanDerWaalsContact OD2-CE 3.24Å; D1110-M1194 WeakPolarHBondContact OD2-CE 3.38Å
1111	G	65.7	Low	80.4	Confident	34.6 Å²	34.6	30.9 Å²	30.9	36%	0.357	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-5	176.5	0	0	0	0	0	115.7	E1109 N1113 Y1163 I1164	E1109-G1111 PolarHBondContact O-N 2.85Å; G1111-N1113 PolarHBondContact O-N 3.14Å; G1111-N1113 VanDerWaalsContact O-N 3.09Å; G1111-Y1163 VanDerWaalsContact CA-CE2 3.45Å; G1111-Y1163 WeakPolarHBondContact O-CE2 3.41Å; G1111-I1164 VanDerWaalsContact O-O 3.13Å
1112	F	78.4	Confident	81.3	Confident	19.6 Å²	19.6	28 Å²	28	9%	0.086	15%	0.151	C	C	.	.			trans	-72	115.4	177	-166.7	-101.9	0	0	0	111.1	L1086 V1107 D1110 A1116 L1117 A1120 W1133 I1164 L1173 L1196 I1198	L1086-F1112 HydrophobicContact CD2-CD2 4.37Å; L1086-F1112 HydrophobicContact CD2-CE2 3.49Å; L1086-F1112 VanDerWaalsContact CD2-CE2 3.47Å; L1086-F1112 HydrophobicContact CD2-CZ 3.63Å; V1107-F1112 HydrophobicContact CG1-CD2 4.04Å; V1107-F1112 HydrophobicContact CG1-CE2 4.41Å; D1110-F1112 VanDerWaalsContact C-N 3.3Å; D1110-F1112 PolarHBondContact O-N 3.13Å; F1112-A1116 HydrophobicContact CD2-CB 3.8Å; F1112-A1116 HydrophobicContact CE1-CB 4.47Å; F1112-A1116 HydrophobicContact CE2-CB 3.54Å; F1112-A1116 HydrophobicContact CG-CB 4.37Å; F1112-A1116 VanDerWaalsContact CZ-C 3.47Å; F1112-A1116 HydrophobicContact CZ-CB 3.93Å; F1112-L1117 HydrophobicContact CD1-CB 4.43Å; F1112-L1117 VanDerWaalsContact CE1-CA 3.49Å; F1112-L1117 HydrophobicContact CE1-CB 3.59Å; F1112-L1117 HydrophobicContact CE1-CD1 4Å; F1112-L1117 HydrophobicContact CE1-CG 4.4Å; F1112-L1117 VanDerWaalsContact CZ-CA 3.49Å; F1112-L1117 HydrophobicContact CZ-CB 4.18Å; F1112-A1120 HydrophobicContact CZ-CB 4.22Å; F1112-W1133 HydrophobicContact CD1-CH2 4.29Å; F1112-W1133 AromaticContact CD1-CZ3 3.84Å; F1112-W1133 HydrophobicContact CD1-CZ3 4.07Å; F1112-W1133 HydrophobicContact CE1-CZ3 4.33Å; F1112-I1164 HydrophobicContact CD2-CD1 4.49Å; F1112-L1173 HydrophobicContact CE2-CD1 4.45Å; F1112-L1196 HydrophobicContact CB-CD2 3.88Å; F1112-L1196 HydrophobicContact CD1-CD2 3.48Å; F1112-L1196 VanDerWaalsContact CD1-CD2 3.47Å; F1112-L1196 HydrophobicContact CD2-CD2 3.65Å; F1112-L1196 HydrophobicContact CE1-CD2 3.77Å; F1112-L1196 HydrophobicContact CE2-CD2 3.96Å; F1112-L1196 HydrophobicContact CG-CD2 3.39Å; F1112-L1196 VanDerWaalsContact CG-CD2 3.42Å; F1112-L1196 HydrophobicContact CZ-CD2 4.01Å; F1112-I1198 HydrophobicContact CE1-CG2 4.2Å
1113	N	80.8	Confident	81.8	Confident	49.6 Å²	49.6	28.1 Å²	28.1	27%	0.265	14%	0.144	S	C	.	.			trans	-100.2	170.5	-175.8	72.7	23.9	0	0	0	113	G1111 H1115 A1116 L1117 D1165 C1166	G1111-N1113 PolarHBondContact O-N 3.14Å; G1111-N1113 VanDerWaalsContact O-N 3.09Å; N1113-H1115 VanDerWaalsContact C-N 3.26Å; N1113-H1115 PolarHBondContact O-N 2.83Å; N1113-H1115 WeakPolarHBondContact OD1-CB 3.38Å; N1113-H1115 PolarHBondContact OD1-N 3.19Å; N1113-H1115 VanDerWaalsContact OD1-N 3.1Å; N1113-A1116 WeakPolarHBondContact O-CB 3.34Å; N1113-A1116 PolarHBondContact O-N 3.14Å; N1113-A1116 WeakPolarHBondContact OD1-CB 3.38Å; N1113-A1116 PolarHBondContact OD1-N 2.98Å; N1113-L1117 PolarHBondContact O-N 3.16Å; N1113-L1117 VanDerWaalsContact O-N 3.08Å; N1113-D1165 PolarHBondContact ND2-OD1 3.16Å; N1113-C1166 PolarHBondContact ND2-N 3.07Å; N1113-C1166 PolarHBondContact ND2-O 3.07Å
1114	E	84.2	Confident	82	Confident	102 Å²	102	27.9 Å²	27.9	48%	0.477	15%	0.145	S	C	.	.	H	α-helix	trans	-62.4	-29.9	-177.9	-66.8	-171.1	152.8	0	0	113.5	L1117 M1118 S1130 L1237	E1114-L1117 WeakPolarHBondContact O-CB 3.38Å; E1114-L1117 PolarHBondContact O-N 3.17Å; E1114-M1118 WeakPolarHBondContact O-CB 3.22Å; E1114-M1118 PolarHBondContact O-N 2.91Å; E1114-S1130 WeakPolarHBondContact OE1-CB 3.3Å; E1114-L1237 HydrophobicContact CB-CD1 3.92Å; E1114-L1237 HydrophobicContact CG-CD1 4.48Å
1115	H	84.8	Confident	81.9	Confident	42.4 Å²	42.4	26.1 Å²	26.1	20%	0.196	14%	0.143	C	C	.	.	H	α-helix	trans	-71.4	-41.6	176.7	-166	83.7	0	0	0	111.3	N1113 L1117 M1118 L1119 C1166 G1168 E1170	N1113-H1115 VanDerWaalsContact C-N 3.26Å; N1113-H1115 PolarHBondContact O-N 2.83Å; N1113-H1115 WeakPolarHBondContact OD1-CB 3.38Å; N1113-H1115 PolarHBondContact OD1-N 3.19Å; N1113-H1115 VanDerWaalsContact OD1-N 3.1Å; H1115-L1117 VanDerWaalsContact C-N 3.29Å; H1115-L1117 PolarHBondContact O-N 3.02Å; H1115-M1118 VanDerWaalsContact CE1-CE 3.42Å; H1115-M1118 WeakPolarHBondContact CE1-CE 3.24Å; H1115-M1118 WeakPolarHBondContact ND1-CE 3.41Å; H1115-M1118 WeakPolarHBondContact O-CB 3.28Å; H1115-M1118 PolarHBondContact O-N 3.2Å; H1115-L1119 WeakPolarHBondContact O-CG 3.35Å; H1115-L1119 PolarHBondContact O-N 3.12Å; H1115-C1166 HydrophobicContact CB-CB 4.27Å; H1115-G1168 PolarHBondContact CE1-O 3.03Å; H1115-G1168 VanDerWaalsContact CE1-O 3.26Å; H1115-G1168 WeakPolarHBondContact NE2-CA 3.21Å; H1115-E1170 IonicContact CD2-OE2 2.93Å; H1115-E1170 PolarHBondContact NE2-O 2.74Å; H1115-E1170 VanDerWaalsContact NE2-O 3.09Å; H1115-E1170 IonicContact NE2-OE2 3.63Å
1116	A	87.6	Confident	82.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-40.3	172.6	0	0	0	0	0	111.4	F1112 N1113 M1118 L1119 A1120 I1164 C1166 L1173	F1112-A1116 HydrophobicContact CD2-CB 3.8Å; F1112-A1116 HydrophobicContact CE1-CB 4.47Å; F1112-A1116 HydrophobicContact CE2-CB 3.54Å; F1112-A1116 HydrophobicContact CG-CB 4.37Å; F1112-A1116 VanDerWaalsContact CZ-C 3.47Å; F1112-A1116 HydrophobicContact CZ-CB 3.93Å; N1113-A1116 WeakPolarHBondContact O-CB 3.34Å; N1113-A1116 PolarHBondContact O-N 3.14Å; N1113-A1116 WeakPolarHBondContact OD1-CB 3.38Å; N1113-A1116 PolarHBondContact OD1-N 2.98Å; A1116-M1118 PolarHBondContact O-N 2.99Å; A1116-L1119 PolarHBondContact O-N 3.17Å; A1116-A1120 VanDerWaalsContact O-CB 3.32Å; A1116-A1120 WeakPolarHBondContact O-CB 3.33Å; A1116-A1120 PolarHBondContact O-N 3.04Å; A1116-I1164 HydrophobicContact CB-CG2 4.23Å; A1116-C1166 HydrophobicContact CB-CB 4.46Å; A1116-C1166 VanDerWaalsContact CB-SG 3.58Å; A1116-L1173 HydrophobicContact CB-CD1 3.9Å; A1116-L1173 HydrophobicContact CB-CD2 4.05Å; A1116-L1173 WeakPolarHBondContact O-CD1 3.42Å
1117	L	89	Confident	82.5	Confident	0.8 Å²	0.8	26.6 Å²	26.6	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-60.3	-47.2	173.3	177.4	70.7	0	0	0	112.1	F1112 N1113 E1114 H1115 L1119 A1120 C1121 A1128 W1133 I1198	F1112-L1117 HydrophobicContact CD1-CB 4.43Å; F1112-L1117 VanDerWaalsContact CE1-CA 3.49Å; F1112-L1117 HydrophobicContact CE1-CB 3.59Å; F1112-L1117 HydrophobicContact CE1-CD1 4Å; F1112-L1117 HydrophobicContact CE1-CG 4.4Å; F1112-L1117 VanDerWaalsContact CZ-CA 3.49Å; F1112-L1117 HydrophobicContact CZ-CB 4.18Å; N1113-L1117 PolarHBondContact O-N 3.16Å; N1113-L1117 VanDerWaalsContact O-N 3.08Å; E1114-L1117 WeakPolarHBondContact O-CB 3.38Å; E1114-L1117 PolarHBondContact O-N 3.17Å; H1115-L1117 VanDerWaalsContact C-N 3.29Å; H1115-L1117 PolarHBondContact O-N 3.02Å; L1117-L1119 VanDerWaalsContact C-N 3.33Å; L1117-L1119 PolarHBondContact O-N 2.83Å; L1117-A1120 PolarHBondContact O-N 3.2Å; L1117-C1121 PolarHBondContact O-N 3.13Å; L1117-A1128 HydrophobicContact CD1-CB 4.44Å; L1117-A1128 HydrophobicContact CD2-CB 3.82Å; L1117-A1128 HydrophobicContact CG-CB 3.62Å; L1117-W1133 HydrophobicContact CD1-CB 3.82Å; L1117-W1133 HydrophobicContact CD1-CD2 4.14Å; L1117-W1133 HydrophobicContact CD1-CE3 3.82Å; L1117-W1133 HydrophobicContact CD1-CG 4.19Å; L1117-W1133 HydrophobicContact CD2-CB 3.35Å; L1117-W1133 VanDerWaalsContact CD2-CB 3.43Å; L1117-W1133 HydrophobicContact CD2-CD2 3.78Å; L1117-W1133 HydrophobicContact CD2-CE3 4.31Å; L1117-W1133 HydrophobicContact CD2-CG 3.35Å; L1117-W1133 VanDerWaalsContact CD2-CG 3.4Å; L1117-W1133 HydrophobicContact CG-CB 4.18Å; L1117-W1133 HydrophobicContact CG-CD2 4.44Å; L1117-W1133 HydrophobicContact CG-CE3 4.47Å; L1117-W1133 HydrophobicContact CG-CG 4.37Å; L1117-I1198 HydrophobicContact CD1-CB 4.04Å; L1117-I1198 HydrophobicContact CD1-CD1 4.16Å; L1117-I1198 HydrophobicContact CD1-CG2 4Å
1118	M	88.3	Confident	82.7	Confident	10.6 Å²	10.6	26.6 Å²	26.6	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-56.6	-49.3	176.7	179.4	-106.5	-22.2	0	0	110.9	E1114 H1115 A1116 A1120 C1121 L1122 Y1234 T1235 L1237	E1114-M1118 WeakPolarHBondContact O-CB 3.22Å; E1114-M1118 PolarHBondContact O-N 2.91Å; H1115-M1118 VanDerWaalsContact CE1-CE 3.42Å; H1115-M1118 WeakPolarHBondContact CE1-CE 3.24Å; H1115-M1118 WeakPolarHBondContact ND1-CE 3.41Å; H1115-M1118 WeakPolarHBondContact O-CB 3.28Å; H1115-M1118 PolarHBondContact O-N 3.2Å; A1116-M1118 PolarHBondContact O-N 2.99Å; M1118-A1120 PolarHBondContact O-N 2.96Å; M1118-C1121 PolarHBondContact O-N 3.15Å; M1118-L1122 WeakPolarHBondContact O-CB 3.33Å; M1118-L1122 PolarHBondContact O-N 3.01Å; M1118-L1122 HydrophobicContact SD-CB 4.43Å; M1118-L1122 HydrophobicContact SD-CD2 4.16Å; M1118-Y1234 VanDerWaalsContact CG-O 3.22Å; M1118-Y1234 WeakPolarHBondContact CG-O 3.29Å; M1118-Y1234 HydrophobicContact SD-CD2 4.42Å; M1118-T1235 VanDerWaalsContact SD-CA 3.58Å; M1118-T1235 VanDerWaalsContact SD-O 3.35Å; M1118-L1237 HydrophobicContact CB-CD2 4.05Å; M1118-L1237 HydrophobicContact CB-CG 4.47Å; M1118-L1237 HydrophobicContact CG-CD2 4.15Å
1119	L	86.7	Confident	83.1	Confident	1.6 Å²	1.6	26.5 Å²	26.5	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-41.8	177.4	-67.4	175.2	0	0	0	112.3	H1115 A1116 L1117 C1121 L1122 N1123 C1166 E1170 T1171 L1173	H1115-L1119 WeakPolarHBondContact O-CG 3.35Å; H1115-L1119 PolarHBondContact O-N 3.12Å; A1116-L1119 PolarHBondContact O-N 3.17Å; L1117-L1119 VanDerWaalsContact C-N 3.33Å; L1117-L1119 PolarHBondContact O-N 2.83Å; L1119-C1121 VanDerWaalsContact C-N 3.34Å; L1119-C1121 PolarHBondContact O-N 3.27Å; L1119-L1122 HydrophobicContact CD2-CD2 4.39Å; L1119-L1122 PolarHBondContact O-N 3.09Å; L1119-N1123 WeakPolarHBondContact O-CB 3.44Å; L1119-N1123 PolarHBondContact O-N 3.21Å; L1119-N1123 PolarHBondContact O-OD1 2.84Å; L1119-C1166 HydrophobicContact CD1-CB 4.48Å; L1119-E1170 HydrophobicContact CD1-CB 4Å; L1119-E1170 WeakPolarHBondContact CD2-O 3.43Å; L1119-T1171 VanDerWaalsContact CD2-C 3.44Å; L1119-T1171 WeakPolarHBondContact CD2-O 3.35Å; L1119-L1173 HydrophobicContact CB-CB 4.27Å; L1119-L1173 HydrophobicContact CB-CD1 4.22Å; L1119-L1173 HydrophobicContact CB-CD2 4.21Å; L1119-L1173 HydrophobicContact CB-CG 3.76Å
1120	A	87.7	Confident	83.5	Confident	0.4 Å²	0.4	25.3 Å²	25.3	0%	0.003	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-47	178.8	0	0	0	0	0	112.3	V1068 L1086 F1112 A1116 L1117 M1118 L1173 I1198	V1068-A1120 HydrophobicContact CG1-CB 4.41Å; L1086-A1120 HydrophobicContact CD1-CB 4Å; L1086-A1120 HydrophobicContact CD2-CB 4.3Å; F1112-A1120 HydrophobicContact CZ-CB 4.22Å; A1116-A1120 VanDerWaalsContact O-CB 3.32Å; A1116-A1120 WeakPolarHBondContact O-CB 3.33Å; A1116-A1120 PolarHBondContact O-N 3.04Å; L1117-A1120 PolarHBondContact O-N 3.2Å; M1118-A1120 PolarHBondContact O-N 2.96Å; A1120-L1173 HydrophobicContact CB-CD1 3.82Å; A1120-L1173 HydrophobicContact CB-CD2 4.16Å; A1120-I1198 HydrophobicContact CB-CD1 3.78Å
1121	C	88.4	Confident	84.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.8	-38.8	176.9	-66.9	0	0	0	0	112.1	L1117 M1118 L1119 N1123 I1124 G1125 L1126 A1128 C1200	L1117-C1121 PolarHBondContact O-N 3.13Å; M1118-C1121 PolarHBondContact O-N 3.15Å; L1119-C1121 VanDerWaalsContact C-N 3.34Å; L1119-C1121 PolarHBondContact O-N 3.27Å; C1121-N1123 VanDerWaalsContact C-N 3.33Å; C1121-N1123 PolarHBondContact O-N 3.01Å; C1121-I1124 WeakPolarHBondContact O-CG1 3.38Å; C1121-I1124 PolarHBondContact O-N 3.19Å; C1121-G1125 PolarHBondContact O-N 2.82Å; C1121-L1126 CarbonylContact C-O 3.56Å; C1121-L1126 VanDerWaalsContact C-O 3.23Å; C1121-L1126 HydrophobicContact CB-CB 4.46Å; C1121-L1126 CarbonylContact O-C 3.54Å; C1121-L1126 WeakPolarHBondContact O-CA 3.34Å; C1121-L1126 PolarHBondContact O-N 3.09Å; C1121-A1128 HydrophobicContact CB-CB 4.11Å; C1121-C1200 WeakPolarHBondContact CA-SG 3.38Å; C1121-C1200 HydrophobicContact CB-CB 3.76Å; C1121-C1200 WeakPolarHBondContact CB-SG 3.37Å; C1121-C1200 WeakPolarHBondContact SG-CB 3.37Å; C1121-C1200 CovalentContact SG-SG 2.04Å; C1121-C1200 PolarHBondContact SG-SG 3.11Å
1122	L	84.3	Confident	85	Confident	36.8 Å²	36.8	24.5 Å²	24.5	19%	0.193	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-43.4	177.6	176.8	61.7	0	0	0	111.9	L839 M1118 L1119 I1124 G1125 L1126 Y1234	L839-L1122 HydrophobicContact CB-CD1 4.32Å; L839-L1122 HydrophobicContact CD1-CD1 3.59Å; L839-L1122 VanDerWaalsContact CD1-CD1 3.49Å; L839-L1122 HydrophobicContact CG-CD1 4.41Å; M1118-L1122 WeakPolarHBondContact O-CB 3.33Å; M1118-L1122 PolarHBondContact O-N 3.01Å; M1118-L1122 HydrophobicContact SD-CB 4.43Å; M1118-L1122 HydrophobicContact SD-CD2 4.16Å; L1119-L1122 HydrophobicContact CD2-CD2 4.39Å; L1119-L1122 PolarHBondContact O-N 3.09Å; L1122-I1124 VanDerWaalsContact C-N 3.25Å; L1122-I1124 PolarHBondContact O-N 3.16Å; L1122-I1124 VanDerWaalsContact O-N 3.14Å; L1122-G1125 PolarHBondContact O-N 3.02Å; L1122-L1126 PolarHBondContact N-O 3.08Å; L1122-Y1234 HydrophobicContact CD1-CD2 4.15Å; L1122-Y1234 HydrophobicContact CD1-CE2 3.62Å; L1122-Y1234 HydrophobicContact CD2-CE2 4.04Å; L1122-Y1234 HydrophobicContact CG-CE2 4.39Å
1123	N	81	Confident	85.4	Confident	28 Å²	28	25.4 Å²	25.4	15%	0.15	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-23.5	-179.5	-83.1	-1.2	0	0	0	114	N1066 T1067 V1068 L1119 C1121 D1172	N1066-N1123 PolarHBondContact ND2-O 3.1Å; N1066-N1123 VanDerWaalsContact ND2-O 3.12Å; T1067-N1123 PolarHBondContact OG1-ND2 3.27Å; T1067-N1123 VanDerWaalsContact OG1-ND2 3.15Å; V1068-N1123 HydrophobicContact CB-CB 3.92Å; V1068-N1123 HydrophobicContact CG2-CB 3.95Å; V1068-N1123 VanDerWaalsContact CG2-ND2 3.33Å; V1068-N1123 WeakPolarHBondContact CG2-ND2 3.33Å; L1119-N1123 WeakPolarHBondContact O-CB 3.44Å; L1119-N1123 PolarHBondContact O-N 3.21Å; L1119-N1123 PolarHBondContact O-OD1 2.84Å; C1121-N1123 VanDerWaalsContact C-N 3.33Å; C1121-N1123 PolarHBondContact O-N 3.01Å; N1123-D1172 PolarHBondContact ND2-OD1 3.01Å; N1123-D1172 PolarHBondContact ND2-OD2 2.87Å
1124	I	79.7	Confident	85.7	Confident	31.6 Å²	31.6	25.9 Å²	25.9	16%	0.162	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	8.8	174.7	64	174	0	0	0	113	F1053 V1068 L1070 Y1082 C1121 L1122 L1126 C1200	F1053-I1124 HydrophobicContact CZ-CD1 4.48Å; V1068-I1124 HydrophobicContact CB-CG2 4.5Å; V1068-I1124 HydrophobicContact CG1-CG2 4.36Å; L1070-I1124 HydrophobicContact CD1-CD1 3.53Å; L1070-I1124 HydrophobicContact CG-CD1 3.94Å; Y1082-I1124 HydrophobicContact CD1-CD1 4.45Å; C1121-I1124 WeakPolarHBondContact O-CG1 3.38Å; C1121-I1124 PolarHBondContact O-N 3.19Å; L1122-I1124 VanDerWaalsContact C-N 3.25Å; L1122-I1124 PolarHBondContact O-N 3.16Å; L1122-I1124 VanDerWaalsContact O-N 3.14Å; I1124-L1126 VanDerWaalsContact C-N 3.34Å; I1124-L1126 HydrophobicContact CD1-CB 4.43Å; I1124-L1126 HydrophobicContact CD1-CD1 3.89Å; I1124-L1126 HydrophobicContact CD1-CG 4.41Å; I1124-L1126 HydrophobicContact CG1-CB 4.21Å; I1124-L1126 HydrophobicContact CG1-CD1 4.26Å; I1124-L1126 HydrophobicContact CG1-CG 4.24Å; I1124-C1200 HydrophobicContact CD1-CB 4.34Å
1125	G	77.9	Confident	85.7	Confident	14.8 Å²	14.8	21.3 Å²	21.3	15%	0.153	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	19.4	177.8	0	0	0	0	0	115	L838 C1121 L1122 P1203	L838-G1125 WeakPolarHBondContact CD2-O 3.25Å; C1121-G1125 PolarHBondContact O-N 2.82Å; L1122-G1125 PolarHBondContact O-N 3.02Å; G1125-P1203 WeakPolarHBondContact O-CG 3.46Å
1126	L	86.3	Confident	85.6	Confident	12.6 Å²	12.6	22.6 Å²	22.6	7%	0.066	13%	0.125	C	C	.	.			trans	-115.7	177.7	178.5	-63	-179.9	0	0	0	110.6	L839 W1075 Y1082 C1121 L1122 I1124 C1200 H1201	L839-L1126 WeakPolarHBondContact CD1-O 3.32Å; W1075-L1126 HydrophobicContact CH2-CD2 4.29Å; W1075-L1126 HydrophobicContact CZ3-CD1 4.43Å; W1075-L1126 HydrophobicContact CZ3-CD2 4.28Å; Y1082-L1126 HydrophobicContact CD1-CD1 4.31Å; Y1082-L1126 HydrophobicContact CG-CD1 4.42Å; C1121-L1126 CarbonylContact C-O 3.56Å; C1121-L1126 VanDerWaalsContact C-O 3.23Å; C1121-L1126 HydrophobicContact CB-CB 4.46Å; C1121-L1126 CarbonylContact O-C 3.54Å; C1121-L1126 WeakPolarHBondContact O-CA 3.34Å; C1121-L1126 PolarHBondContact O-N 3.09Å; L1122-L1126 PolarHBondContact N-O 3.08Å; I1124-L1126 VanDerWaalsContact C-N 3.34Å; I1124-L1126 HydrophobicContact CD1-CB 4.43Å; I1124-L1126 HydrophobicContact CD1-CD1 3.89Å; I1124-L1126 HydrophobicContact CD1-CG 4.41Å; I1124-L1126 HydrophobicContact CG1-CB 4.21Å; I1124-L1126 HydrophobicContact CG1-CD1 4.26Å; I1124-L1126 HydrophobicContact CG1-CG 4.24Å; L1126-C1200 HydrophobicContact CB-CB 3.61Å; L1126-C1200 HydrophobicContact CD1-CB 3.7Å; L1126-C1200 HydrophobicContact CG-CB 4.32Å; L1126-H1201 WeakPolarHBondContact CB-O 3.31Å
1127	V	88.3	Confident	85.3	Confident	3.8 Å²	3.8	26.4 Å²	26.4	2%	0.023	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.3	178.5	-79.6	0	0	0	0	111.7	L839 C1200 H1201 P1203 L1231 L1261	L839-V1127 HydrophobicContact CD1-CG1 3.77Å; L839-V1127 VanDerWaalsContact CD1-CG1 3.48Å; L839-V1127 HydrophobicContact CD1-CG2 3.82Å; L839-V1127 HydrophobicContact CD2-CG1 3.81Å; L839-V1127 VanDerWaalsContact CD2-CG1 3.5Å; L839-V1127 HydrophobicContact CD2-CG2 3.7Å; L839-V1127 HydrophobicContact CG-CG1 4.39Å; L839-V1127 HydrophobicContact CG-CG2 4.38Å; V1127-C1200 CarbonylContact O-C 3.57Å; V1127-H1201 HydrophobicContact CG2-CB 4.2Å; V1127-H1201 WeakPolarHBondContact CG2-O 3.36Å; V1127-H1201 PolarHBondContact N-O 3.15Å; V1127-H1201 PolarHBondContact O-N 3.05Å; V1127-P1203 HydrophobicContact CG1-CB 4.19Å; V1127-P1203 HydrophobicContact CG1-CG 4.22Å; V1127-L1231 HydrophobicContact CB-CD1 4.47Å; V1127-L1231 HydrophobicContact CG1-CD1 4.38Å; V1127-L1231 HydrophobicContact CG1-CD2 3.8Å; V1127-L1231 HydrophobicContact CG2-CD1 4.49Å; V1127-L1231 HydrophobicContact CG2-CD2 4.44Å; V1127-L1261 HydrophobicContact CG2-CD1 4.36Å
1128	A	90	Very high	84.9	Confident	2.6 Å²	2.6	29.9 Å²	29.9	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	141.1	174.8	0	0	0	0	0	110.8	L1117 C1121 L1237 Y1239	L1117-A1128 HydrophobicContact CD1-CB 4.44Å; L1117-A1128 HydrophobicContact CD2-CB 3.82Å; L1117-A1128 HydrophobicContact CG-CB 3.62Å; C1121-A1128 HydrophobicContact CB-CB 4.11Å; A1128-L1237 HydrophobicContact CB-CD2 3.83Å; A1128-L1237 VanDerWaalsContact O-CD2 3.26Å; A1128-L1237 WeakPolarHBondContact O-CD2 3.31Å; A1128-Y1239 VanDerWaalsContact C-OH 3.23Å; A1128-Y1239 PolarHBondContact O-OH 3.21Å
1129	N	88.7	Confident	84.7	Confident	1.6 Å²	1.6	32.2 Å²	32.2	1%	0.009	18%	0.184	C	C	.	.			trans	-121	118.1	171.1	-170.9	-42.4	0	0	0	109.6	K1131 S1132 W1133 Y1239 L1261 F1287	N1129-K1131 PolarHBondContact O-N 3.12Å; N1129-K1131 VanDerWaalsContact O-N 3.11Å; N1129-K1131 WeakPolarHBondContact OD1-CB 3.15Å; N1129-K1131 PolarHBondContact OD1-N 3.15Å; N1129-S1132 CarbonylContact O-C 3.55Å; N1129-S1132 PolarHBondContact O-N 3.17Å; N1129-S1132 VanDerWaalsContact O-N 3.14Å; N1129-W1133 VanDerWaalsContact O-CB 3.32Å; N1129-W1133 WeakPolarHBondContact O-CB 3.37Å; N1129-W1133 PolarHBondContact O-N 3Å; N1129-Y1239 VanDerWaalsContact CA-OH 3.29Å; N1129-Y1239 WeakPolarHBondContact CA-OH 3.27Å; N1129-Y1239 HydrophobicContact CB-CE2 4.35Å; N1129-Y1239 VanDerWaalsContact CB-OH 3.23Å; N1129-Y1239 WeakPolarHBondContact CB-OH 3.32Å; N1129-Y1239 PolarHBondContact N-OH 3.36Å; N1129-L1261 PolarHBondContact ND2-O 2.8Å; N1129-F1287 WeakPolarHBondContact ND2-CD1 3.33Å; N1129-F1287 WeakPolarHBondContact ND2-CE1 3.35Å; N1129-F1287 WeakPolarHBondContact OD1-CE1 3.21Å
1130	S	85.7	Confident	84.8	Confident	33.6 Å²	33.6	34.1 Å²	34.1	24%	0.235	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.1	-176.4	55.2	0	0	0	0	113.3	E1114 S1132 W1133 F1701	E1114-S1130 WeakPolarHBondContact OE1-CB 3.3Å; S1130-S1132 PolarHBondContact O-N 3.45Å; S1130-W1133 VanDerWaalsContact O-CD1 3.25Å; S1130-F1701 WeakPolarHBondContact O-CE1 3.45Å; S1130-F1701 WeakPolarHBondContact O-CZ 3.18Å
1131	K	84	Confident	84.7	Confident	102 Å²	102	40.4 Å²	40.4	44%	0.443	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.4	-179.4	-58.4	-179.2	-179.4	168.2	0	114.5	N1129 F1287 E1288 I1310 P1700 F1701	N1129-K1131 PolarHBondContact O-N 3.12Å; N1129-K1131 VanDerWaalsContact O-N 3.11Å; N1129-K1131 WeakPolarHBondContact OD1-CB 3.15Å; N1129-K1131 PolarHBondContact OD1-N 3.15Å; K1131-F1287 HydrophobicContact CB-CE1 4.14Å; K1131-F1287 HydrophobicContact CB-CZ 4.23Å; K1131-E1288 IonicContact NZ-OE1 2.83Å; K1131-E1288 PolarHBondContact NZ-OE1 3.11Å; K1131-E1288 IonicContact NZ-OE2 3.3Å; K1131-E1288 PolarHBondContact NZ-OE2 2.8Å; K1131-I1310 HydrophobicContact CB-CD1 3.94Å; K1131-I1310 HydrophobicContact CD-CD1 3.76Å; K1131-I1310 HydrophobicContact CG-CD1 4.37Å; K1131-P1700 HydrophobicContact CB-CG 4.43Å; K1131-P1700 VanDerWaalsContact O-CB 3.3Å; K1131-P1700 WeakPolarHBondContact O-CB 3.42Å; K1131-P1700 WeakPolarHBondContact O-CG 3.4Å; K1131-F1701 HydrophobicContact CB-CE2 3.94Å; K1131-F1701 HydrophobicContact CB-CZ 4.26Å; K1131-F1701 HydrophobicContact CG-CE2 3.76Å; K1131-F1701 HydrophobicContact CG-CZ 4.03Å
1132	S	83.6	Confident	84.6	Confident	19.6 Å²	19.6	43.1 Å²	43.1	14%	0.137	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.2	25.2	-173.5	75.8	0	0	0	0	115	N1129 S1130 L1134 Q1199 H1201 F1287	N1129-S1132 CarbonylContact O-C 3.55Å; N1129-S1132 PolarHBondContact O-N 3.17Å; N1129-S1132 VanDerWaalsContact O-N 3.14Å; S1130-S1132 PolarHBondContact O-N 3.45Å; S1132-L1134 VanDerWaalsContact C-N 3.28Å; S1132-L1134 PolarHBondContact O-N 3.02Å; S1132-Q1199 PolarHBondContact O-OE1 3.38Å; S1132-Q1199 VanDerWaalsContact O-OE1 3.13Å; S1132-H1201 PolarHBondContact O-NE2 2.98Å; S1132-H1201 PolarHBondContact OG-CE1 2.96Å; S1132-H1201 VanDerWaalsContact OG-CE1 3.3Å; S1132-H1201 PolarHBondContact OG-NE2 2.96Å; S1132-F1287 VanDerWaalsContact CB-CE2 3.46Å; S1132-F1287 VanDerWaalsContact CB-CZ 3.48Å; S1132-F1287 WeakPolarHBondContact OG-CE2 3.34Å; S1132-F1287 WeakPolarHBondContact OG-CZ 3.37Å
1133	W	86.7	Confident	84.8	Confident	38.2 Å²	38.2	41.6 Å²	41.6	15%	0.145	23%	0.233	C	C	.	.	S	Bend	trans	-78.4	-20.2	-178.7	70.1	-89.7	0	0	0	114.2	F1112 L1117 N1129 S1130 P1135 L1196 I1198 Q1199 F1701	F1112-W1133 HydrophobicContact CD1-CH2 4.29Å; F1112-W1133 AromaticContact CD1-CZ3 3.84Å; F1112-W1133 HydrophobicContact CD1-CZ3 4.07Å; F1112-W1133 HydrophobicContact CE1-CZ3 4.33Å; L1117-W1133 HydrophobicContact CD1-CB 3.82Å; L1117-W1133 HydrophobicContact CD1-CD2 4.14Å; L1117-W1133 HydrophobicContact CD1-CE3 3.82Å; L1117-W1133 HydrophobicContact CD1-CG 4.19Å; L1117-W1133 HydrophobicContact CD2-CB 3.35Å; L1117-W1133 VanDerWaalsContact CD2-CB 3.43Å; L1117-W1133 HydrophobicContact CD2-CD2 3.78Å; L1117-W1133 HydrophobicContact CD2-CE3 4.31Å; L1117-W1133 HydrophobicContact CD2-CG 3.35Å; L1117-W1133 VanDerWaalsContact CD2-CG 3.4Å; L1117-W1133 HydrophobicContact CG-CB 4.18Å; L1117-W1133 HydrophobicContact CG-CD2 4.44Å; L1117-W1133 HydrophobicContact CG-CE3 4.47Å; L1117-W1133 HydrophobicContact CG-CG 4.37Å; N1129-W1133 VanDerWaalsContact O-CB 3.32Å; N1129-W1133 WeakPolarHBondContact O-CB 3.37Å; N1129-W1133 PolarHBondContact O-N 3Å; S1130-W1133 VanDerWaalsContact O-CD1 3.25Å; W1133-P1135 WeakPolarHBondContact O-CD 3.33Å; W1133-L1196 HydrophobicContact CH2-CD1 4.27Å; W1133-L1196 HydrophobicContact CZ3-CD1 3.81Å; W1133-I1198 HydrophobicContact CE3-CG2 4.02Å; W1133-I1198 HydrophobicContact CZ3-CG2 4.13Å; W1133-I1198 CarbonylContact O-C 3.46Å; W1133-I1198 WeakPolarHBondContact O-CA 3.36Å; W1133-Q1199 WeakPolarHBondContact O-CB 3.27Å; W1133-Q1199 PolarHBondContact O-N 3.02Å; W1133-F1701 HydrophobicContact CZ2-CZ 4.26Å; W1133-F1701 AromaticContact NE1-CZ 3.77Å
1134	L	86.3	Confident	85.1	Confident	61.4 Å²	61.4	41 Å²	41	32%	0.321	23%	0.23	S	C	.	.	S	Bend	trans	-100.7	112	177.4	-138	101.3	0	0	0	110.1	S1132 L1196	S1132-L1134 VanDerWaalsContact C-N 3.28Å; S1132-L1134 PolarHBondContact O-N 3.02Å; L1134-L1196 HydrophobicContact CD1-CD1 4.49Å; L1134-L1196 HydrophobicContact CD2-CD1 4.37Å
1135	P	84.6	Confident	85.4	Confident	4.2 Å²	4.2	44.6 Å²	44.6	3%	0.027	25%	0.246	C	C	.	.			trans	-64.7	157.3	176.1	-22.2	33.1	0	0	0	113.1	W1133 I1139 R1140 V1197 Q1199	W1133-P1135 WeakPolarHBondContact O-CD 3.33Å; P1135-I1139 HydrophobicContact CB-CB 4.18Å; P1135-I1139 HydrophobicContact CB-CG2 4.05Å; P1135-R1140 HydrophobicContact CB-CG 3.98Å; P1135-R1140 HydrophobicContact CG-CG 4.39Å; P1135-R1140 VanDerWaalsContact O-CD 3.28Å; P1135-R1140 WeakPolarHBondContact O-CD 3.42Å; P1135-R1140 VanDerWaalsContact O-CG 3.32Å; P1135-R1140 WeakPolarHBondContact O-CG 3.33Å; P1135-R1140 PolarHBondContact O-NE 3.01Å; P1135-R1140 VanDerWaalsContact O-NE 3.13Å; P1135-V1197 VanDerWaalsContact CD-O 3.25Å; P1135-V1197 WeakPolarHBondContact CD-O 3.36Å; P1135-V1197 HydrophobicContact CG-CG1 4.04Å; P1135-Q1199 HydrophobicContact CG-CB 4.05Å
1136	P	82	Confident	85.8	Confident	71.4 Å²	71.4	47.8 Å²	47.8	46%	0.464	26%	0.255	S	S	.	.			trans	-51.3	145.9	168.9	-26.3	33.2	0	0	0	112.9	S1138 I1139 R1140	P1136-S1138 PolarHBondContact O-N 3.16Å; P1136-S1138 VanDerWaalsContact O-N 3.12Å; P1136-I1139 HydrophobicContact CB-CD1 4.47Å; P1136-I1139 HydrophobicContact CG-CD1 4.31Å; P1136-I1139 WeakPolarHBondContact O-CB 3.23Å; P1136-I1139 PolarHBondContact O-N 3.26Å; P1136-R1140 PolarHBondContact O-N 3.17Å; P1136-R1140 VanDerWaalsContact O-N 3.1Å
1137	V	81.4	Confident	85.6	Confident	78.4 Å²	78.4	47.2 Å²	47.2	48%	0.475	25%	0.252	S	S	.	.	H	α-helix	trans	-52.4	-37.9	-175.1	178.1	0	0	0	0	113.1	R1140 K1141	V1137-R1140 PolarHBondContact O-N 2.93Å; V1137-K1141 HydrophobicContact CG1-CD 4.19Å; V1137-K1141 HydrophobicContact CG1-CG 4.43Å; V1137-K1141 WeakPolarHBondContact O-CG 3.32Å; V1137-K1141 PolarHBondContact O-N 3.21Å; V1137-K1141 VanDerWaalsContact O-N 3.09Å
1138	S	81.6	Confident	85.3	Confident	75 Å²	75	49.1 Å²	49.1	52%	0.524	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-45.3	177.4	48	0	0	0	0	112.4	P1136 A1142 N1694	P1136-S1138 PolarHBondContact O-N 3.16Å; P1136-S1138 VanDerWaalsContact O-N 3.12Å; S1138-A1142 WeakPolarHBondContact O-CB 3.28Å; S1138-A1142 PolarHBondContact O-N 2.98Å; S1138-A1142 VanDerWaalsContact O-N 3.13Å; S1138-N1694 VanDerWaalsContact CB-ND2 3.29Å; S1138-N1694 WeakPolarHBondContact CB-ND2 3.45Å; S1138-N1694 PolarHBondContact OG-ND2 3.39Å; S1138-N1694 VanDerWaalsContact OG-ND2 3.15Å
1139	I	84.5	Confident	84.9	Confident	59.2 Å²	59.2	57 Å²	57	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-67.3	-42.3	178	-62.3	179.4	0	0	0	110.2	Y1083 P1135 P1136 K1141 A1142 T1143	Y1083-I1139 HydrophobicContact CD1-CG2 4.43Å; Y1083-I1139 HydrophobicContact CD2-CG2 3.71Å; Y1083-I1139 HydrophobicContact CE1-CG2 4.32Å; Y1083-I1139 HydrophobicContact CE2-CG2 3.45Å; Y1083-I1139 VanDerWaalsContact CE2-CG2 3.46Å; Y1083-I1139 HydrophobicContact CG-CG2 4.26Å; P1135-I1139 HydrophobicContact CB-CB 4.18Å; P1135-I1139 HydrophobicContact CB-CG2 4.05Å; P1136-I1139 HydrophobicContact CB-CD1 4.47Å; P1136-I1139 HydrophobicContact CG-CD1 4.31Å; P1136-I1139 WeakPolarHBondContact O-CB 3.23Å; P1136-I1139 PolarHBondContact O-N 3.26Å; I1139-K1141 PolarHBondContact O-N 3.19Å; I1139-A1142 PolarHBondContact O-N 3.14Å; I1139-T1143 VanDerWaalsContact O-CB 3.3Å; I1139-T1143 WeakPolarHBondContact O-CB 3.42Å; I1139-T1143 PolarHBondContact O-N 3.36Å; I1139-T1143 PolarHBondContact O-OG1 3.08Å
1140	R	87.1	Confident	84.2	Confident	40.4 Å²	40.4	60.5 Å²	60.5	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-50.7	177.7	-62.4	-164.9	-67.1	146.3	-5.9	111.7	E1109 P1135 P1136 V1137 A1142 T1143 I1144 V1197	E1109-R1140 VanDerWaalsContact CD-NH1 3.33Å; E1109-R1140 IonicContact OE1-CZ 2.71Å; E1109-R1140 IonicContact OE1-NH1 3.13Å; E1109-R1140 PolarHBondContact OE1-NH1 2.85Å; E1109-R1140 IonicContact OE2-CZ 3.29Å; E1109-R1140 IonicContact OE2-NH1 3.23Å; E1109-R1140 PolarHBondContact OE2-NH1 3Å; E1109-R1140 IonicContact OE2-NH2 2.85Å; E1109-R1140 PolarHBondContact OE2-NH2 2.85Å; E1109-R1140 VanDerWaalsContact OE2-NH2 3.1Å; P1135-R1140 HydrophobicContact CB-CG 3.98Å; P1135-R1140 HydrophobicContact CG-CG 4.39Å; P1135-R1140 VanDerWaalsContact O-CD 3.28Å; P1135-R1140 WeakPolarHBondContact O-CD 3.42Å; P1135-R1140 VanDerWaalsContact O-CG 3.32Å; P1135-R1140 WeakPolarHBondContact O-CG 3.33Å; P1135-R1140 PolarHBondContact O-NE 3.01Å; P1135-R1140 VanDerWaalsContact O-NE 3.13Å; P1136-R1140 PolarHBondContact O-N 3.17Å; P1136-R1140 VanDerWaalsContact O-N 3.1Å; V1137-R1140 PolarHBondContact O-N 2.93Å; R1140-A1142 PolarHBondContact O-N 2.9Å; R1140-T1143 WeakPolarHBondContact O-CB 3.37Å; R1140-T1143 PolarHBondContact O-N 3.07Å; R1140-I1144 WeakPolarHBondContact O-CD1 3.2Å; R1140-I1144 VanDerWaalsContact O-CG1 3.28Å; R1140-I1144 WeakPolarHBondContact O-CG1 3.35Å; R1140-I1144 PolarHBondContact O-N 3.05Å; R1140-V1197 HydrophobicContact CB-CB 4.29Å; R1140-V1197 HydrophobicContact CB-CG2 4.26Å; R1140-V1197 HydrophobicContact CG-CB 4Å; R1140-V1197 HydrophobicContact CG-CG1 4.23Å; R1140-V1197 HydrophobicContact CG-CG2 4.46Å
1141	K	86.3	Confident	83.4	Confident	133.4 Å²	133.4	60.5 Å²	60.5	58%	0.58	31%	0.306	S	S	*	.	H	α-helix	trans	-58	-48	178.1	-72.8	179.7	179	-178	0	112.2	V1137 I1139 T1143 I1144 E1145	V1137-K1141 HydrophobicContact CG1-CD 4.19Å; V1137-K1141 HydrophobicContact CG1-CG 4.43Å; V1137-K1141 WeakPolarHBondContact O-CG 3.32Å; V1137-K1141 PolarHBondContact O-N 3.21Å; V1137-K1141 VanDerWaalsContact O-N 3.09Å; I1139-K1141 PolarHBondContact O-N 3.19Å; K1141-T1143 VanDerWaalsContact C-N 3.32Å; K1141-T1143 PolarHBondContact O-N 3.21Å; K1141-I1144 PolarHBondContact O-N 3.15Å; K1141-E1145 WeakPolarHBondContact O-CG 3.19Å; K1141-E1145 PolarHBondContact O-N 3.16Å
1142	A	87.3	Confident	82.3	Confident	57 Å²	57	62.3 Å²	62.3	47%	0.471	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-38.5	178.2	0	0	0	0	0	112.7	S1138 I1139 R1140 E1145 K1146	S1138-A1142 WeakPolarHBondContact O-CB 3.28Å; S1138-A1142 PolarHBondContact O-N 2.98Å; S1138-A1142 VanDerWaalsContact O-N 3.13Å; I1139-A1142 PolarHBondContact O-N 3.14Å; R1140-A1142 PolarHBondContact O-N 2.9Å; A1142-E1145 PolarHBondContact O-N 3.05Å; A1142-K1146 WeakPolarHBondContact O-CB 3.32Å; A1142-K1146 PolarHBondContact O-N 2.89Å
1143	T	87.7	Confident	80.9	Confident	4.8 Å²	4.8	71.6 Å²	71.6	3%	0.029	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-45.8	177.8	-57.3	0	0	0	0	111.4	Y1083 I1139 R1140 K1141 E1145 K1146 A1147 V1197	Y1083-T1143 HydrophobicContact CD2-CG2 4.45Å; Y1083-T1143 WeakPolarHBondContact CD2-OG1 3.45Å; Y1083-T1143 WeakPolarHBondContact CE2-OG1 3.25Å; I1139-T1143 VanDerWaalsContact O-CB 3.3Å; I1139-T1143 WeakPolarHBondContact O-CB 3.42Å; I1139-T1143 PolarHBondContact O-N 3.36Å; I1139-T1143 PolarHBondContact O-OG1 3.08Å; R1140-T1143 WeakPolarHBondContact O-CB 3.37Å; R1140-T1143 PolarHBondContact O-N 3.07Å; K1141-T1143 VanDerWaalsContact C-N 3.32Å; K1141-T1143 PolarHBondContact O-N 3.21Å; T1143-E1145 PolarHBondContact O-N 3.19Å; T1143-K1146 PolarHBondContact O-N 3.01Å; T1143-A1147 WeakPolarHBondContact O-CB 3.39Å; T1143-A1147 PolarHBondContact O-N 2.95Å; T1143-V1197 HydrophobicContact CG2-CG1 4.03Å; T1143-V1197 HydrophobicContact CG2-CG2 4.34Å
1144	I	86.5	Confident	79.3	Confident	15.8 Å²	15.8	73.4 Å²	73.4	8%	0.081	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-44.4	177.2	-66.9	161.4	0	0	0	110.5	R1140 K1141 K1146 A1147 N1148 D1195 V1197	R1140-I1144 WeakPolarHBondContact O-CD1 3.2Å; R1140-I1144 VanDerWaalsContact O-CG1 3.28Å; R1140-I1144 WeakPolarHBondContact O-CG1 3.35Å; R1140-I1144 PolarHBondContact O-N 3.05Å; K1141-I1144 PolarHBondContact O-N 3.15Å; I1144-K1146 VanDerWaalsContact C-N 3.35Å; I1144-K1146 PolarHBondContact O-N 2.84Å; I1144-A1147 PolarHBondContact O-N 3.09Å; I1144-N1148 WeakPolarHBondContact CG2-ND2 3.22Å; I1144-N1148 WeakPolarHBondContact O-CB 3.37Å; I1144-N1148 VanDerWaalsContact O-CG 3.27Å; I1144-N1148 PolarHBondContact O-N 3.2Å; I1144-N1148 PolarHBondContact O-ND2 2.88Å; I1144-D1195 HydrophobicContact CD1-CB 3.87Å; I1144-D1195 HydrophobicContact CG1-CB 3.9Å; I1144-D1195 HydrophobicContact CG2-CB 4.43Å; I1144-V1197 HydrophobicContact CD1-CG2 4.07Å; I1144-V1197 HydrophobicContact CG1-CG2 3.74Å
1145	E	86.2	Confident	77.5	Confident	106 Å²	106	82.5 Å²	82.5	50%	0.495	40%	0.402	S	S	.	.	H	α-helix	trans	-59.9	-44.7	175.1	-75.5	-176.4	-159.8	0	0	112.4	K1141 A1142 T1143 N1148 R1149	K1141-E1145 WeakPolarHBondContact O-CG 3.19Å; K1141-E1145 PolarHBondContact O-N 3.16Å; A1142-E1145 PolarHBondContact O-N 3.05Å; T1143-E1145 PolarHBondContact O-N 3.19Å; E1145-N1148 PolarHBondContact O-N 3.14Å; E1145-R1149 VanDerWaalsContact O-CG 3.28Å; E1145-R1149 WeakPolarHBondContact O-CG 3.27Å; E1145-R1149 PolarHBondContact O-N 3.01Å; E1145-R1149 IonicContact OE2-CZ 2.76Å; E1145-R1149 IonicContact OE2-NH2 3.64Å; E1145-R1149 PolarHBondContact OE2-NH2 3.14Å
1146	K	86.4	Confident	75.8	Confident	81.8 Å²	81.8	85.4 Å²	85.4	36%	0.356	42%	0.422	S	S	.	.	H	α-helix	trans	-63.2	-43.1	177.3	-173.1	173.4	169.1	-162.7	0	111.2	G1072 G1073 E1074 A1142 T1143 I1144 N1148 R1149 L1150	G1072-K1146 WeakPolarHBondContact O-CD 3.17Å; G1072-K1146 WeakPolarHBondContact O-CE 3.1Å; G1072-K1146 PolarHBondContact O-NZ 2.86Å; G1073-K1146 PolarHBondContact O-NZ 2.83Å; E1074-K1146 IonicContact OE2-NZ 3.13Å; E1074-K1146 PolarHBondContact OE2-NZ 3.17Å; A1142-K1146 WeakPolarHBondContact O-CB 3.32Å; A1142-K1146 PolarHBondContact O-N 2.89Å; T1143-K1146 PolarHBondContact O-N 3.01Å; I1144-K1146 VanDerWaalsContact C-N 3.35Å; I1144-K1146 PolarHBondContact O-N 2.84Å; K1146-N1148 VanDerWaalsContact C-N 3.34Å; K1146-N1148 PolarHBondContact O-N 3.11Å; K1146-R1149 PolarHBondContact O-N 2.86Å; K1146-L1150 HydrophobicContact CG-CD1 4.14Å; K1146-L1150 VanDerWaalsContact O-CG 3.32Å; K1146-L1150 WeakPolarHBondContact O-CG 3.29Å; K1146-L1150 PolarHBondContact O-N 3.19Å; K1146-L1150 VanDerWaalsContact O-N 3.11Å
1147	A	83.5	Confident	74.3	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-62.9	-44.2	176.1	0	0	0	0	0	112.2	S1071 R1085 T1143 I1144 R1149 L1150 M1151	S1071-A1147 WeakPolarHBondContact OG-CB 3.33Å; R1085-A1147 HydrophobicContact CB-CB 4.45Å; T1143-A1147 WeakPolarHBondContact O-CB 3.39Å; T1143-A1147 PolarHBondContact O-N 2.95Å; I1144-A1147 PolarHBondContact O-N 3.09Å; A1147-R1149 VanDerWaalsContact C-N 3.34Å; A1147-R1149 PolarHBondContact O-N 2.95Å; A1147-L1150 WeakPolarHBondContact O-CB 3.24Å; A1147-L1150 PolarHBondContact O-N 3.02Å; A1147-L1150 VanDerWaalsContact O-N 3.12Å; A1147-M1151 WeakPolarHBondContact O-CG 3.41Å; A1147-M1151 PolarHBondContact O-N 3.08Å; A1147-M1151 VanDerWaalsContact O-N 3.13Å
1148	N	81.9	Confident	73.2	Confident	44 Å²	44	84.8 Å²	84.8	24%	0.235	42%	0.423	C	S	.	.	H	α-helix	trans	-63.7	-38.2	177	-72.8	-24.8	0	0	0	112.5	R1085 I1144 E1145 K1146 L1150 M1151 N1152	R1085-N1148 PolarHBondContact NH1-OD1 3.08Å; I1144-N1148 WeakPolarHBondContact CG2-ND2 3.22Å; I1144-N1148 WeakPolarHBondContact O-CB 3.37Å; I1144-N1148 VanDerWaalsContact O-CG 3.27Å; I1144-N1148 PolarHBondContact O-N 3.2Å; I1144-N1148 PolarHBondContact O-ND2 2.88Å; E1145-N1148 PolarHBondContact O-N 3.14Å; K1146-N1148 VanDerWaalsContact C-N 3.34Å; K1146-N1148 PolarHBondContact O-N 3.11Å; N1148-L1150 VanDerWaalsContact C-N 3.28Å; N1148-L1150 PolarHBondContact O-N 3.11Å; N1148-M1151 PolarHBondContact O-N 3.16Å; N1148-N1152 WeakPolarHBondContact O-CB 3.24Å; N1148-N1152 VanDerWaalsContact O-CG 3.3Å; N1148-N1152 PolarHBondContact O-N 3.04Å; N1148-N1152 VanDerWaalsContact O-N 3.11Å
1149	R	80.4	Confident	72.5	Confident	169.4 Å²	169.4	83.7 Å²	83.7	64%	0.639	41%	0.411	S	S	*	.	H	α-helix	trans	-64	-36.9	173.4	-71.2	174.8	-166.1	171.7	9.4	112.5	E1145 K1146 A1147 M1151 N1152 R1153	E1145-R1149 VanDerWaalsContact O-CG 3.28Å; E1145-R1149 WeakPolarHBondContact O-CG 3.27Å; E1145-R1149 PolarHBondContact O-N 3.01Å; E1145-R1149 IonicContact OE2-CZ 2.76Å; E1145-R1149 IonicContact OE2-NH2 3.64Å; E1145-R1149 PolarHBondContact OE2-NH2 3.14Å; K1146-R1149 PolarHBondContact O-N 2.86Å; A1147-R1149 VanDerWaalsContact C-N 3.34Å; A1147-R1149 PolarHBondContact O-N 2.95Å; R1149-M1151 VanDerWaalsContact C-N 3.27Å; R1149-M1151 PolarHBondContact O-N 3.35Å; R1149-N1152 WeakPolarHBondContact O-CB 3.27Å; R1149-N1152 PolarHBondContact O-N 3.42Å; R1149-N1152 PolarHBondContact O-ND2 2.8Å; R1149-N1152 PolarHBondContact O-OD1 2.82Å; R1149-R1153 WeakPolarHBondContact O-CG 3.37Å
1150	L	73.9	Confident	71.9	Confident	74.6 Å²	74.6	82.8 Å²	82.8	39%	0.391	41%	0.406	S	S	.	.	H	α-helix	trans	-69	-39.7	176.1	-70.9	165.7	0	0	0	111.7	F1053 I1054 K1146 A1147 N1148 N1152 R1153 S1154	F1053-L1150 HydrophobicContact CD1-CD2 4.41Å; F1053-L1150 HydrophobicContact CE1-CB 4.26Å; F1053-L1150 HydrophobicContact CE1-CD1 4.32Å; F1053-L1150 HydrophobicContact CE1-CD2 4.49Å; F1053-L1150 HydrophobicContact CE2-CD1 4.3Å; F1053-L1150 HydrophobicContact CZ-CD1 3.98Å; I1054-L1150 HydrophobicContact CD1-CB 4.04Å; I1054-L1150 HydrophobicContact CD1-CD1 3.53Å; I1054-L1150 HydrophobicContact CD1-CG 4.36Å; K1146-L1150 HydrophobicContact CG-CD1 4.14Å; K1146-L1150 VanDerWaalsContact O-CG 3.32Å; K1146-L1150 WeakPolarHBondContact O-CG 3.29Å; K1146-L1150 PolarHBondContact O-N 3.19Å; K1146-L1150 VanDerWaalsContact O-N 3.11Å; A1147-L1150 WeakPolarHBondContact O-CB 3.24Å; A1147-L1150 PolarHBondContact O-N 3.02Å; A1147-L1150 VanDerWaalsContact O-N 3.12Å; N1148-L1150 VanDerWaalsContact C-N 3.28Å; N1148-L1150 PolarHBondContact O-N 3.11Å; L1150-N1152 PolarHBondContact O-N 3.28Å; L1150-R1153 WeakPolarHBondContact O-CB 3.27Å; L1150-R1153 PolarHBondContact O-N 3.01Å; L1150-S1154 PolarHBondContact O-N 3.22Å
1151	M	68.8	Low	71.3	Confident	33.2 Å²	33.2	81.3 Å²	81.3	16%	0.164	40%	0.4	C	S	.	.	H	α-helix	trans	-71.8	-25.2	178.8	-74.5	-128	-68	0	0	114.1	R1085 I1106 A1147 N1148 R1149 R1153 S1154 R1155 S1158	R1085-M1151 VanDerWaalsContact NH2-CE 3.33Å; R1085-M1151 PolarHBondContact NH2-SD 2.99Å; R1085-M1151 VanDerWaalsContact NH2-SD 3.37Å; I1106-M1151 HydrophobicContact CD1-CE 3.89Å; I1106-M1151 HydrophobicContact CD1-SD 4.41Å; I1106-M1151 HydrophobicContact CG1-CE 4.42Å; A1147-M1151 WeakPolarHBondContact O-CG 3.41Å; A1147-M1151 PolarHBondContact O-N 3.08Å; A1147-M1151 VanDerWaalsContact O-N 3.13Å; N1148-M1151 PolarHBondContact O-N 3.16Å; R1149-M1151 VanDerWaalsContact C-N 3.27Å; R1149-M1151 PolarHBondContact O-N 3.35Å; M1151-R1153 PolarHBondContact O-N 3.13Å; M1151-R1153 VanDerWaalsContact O-N 3.11Å; M1151-S1154 PolarHBondContact O-N 3.18Å; M1151-S1154 VanDerWaalsContact O-O 3.09Å; M1151-S1154 PolarHBondContact O-OG 3.03Å; M1151-R1155 PolarHBondContact O-N 2.99Å; M1151-S1158 VanDerWaalsContact CE-OG 3.27Å; M1151-S1158 WeakPolarHBondContact CE-OG 3.26Å; M1151-S1158 PolarHBondContact SD-OG 3.16Å
1152	N	61.7	Low	70.5	Confident	139.6 Å²	139.6	76.6 Å²	76.6	75%	0.747	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-2.9	176.9	-81.9	-14.9	0	0	0	113	N1148 R1149 L1150	N1148-N1152 WeakPolarHBondContact O-CB 3.24Å; N1148-N1152 VanDerWaalsContact O-CG 3.3Å; N1148-N1152 PolarHBondContact O-N 3.04Å; N1148-N1152 VanDerWaalsContact O-N 3.11Å; R1149-N1152 WeakPolarHBondContact O-CB 3.27Å; R1149-N1152 PolarHBondContact O-N 3.42Å; R1149-N1152 PolarHBondContact O-ND2 2.8Å; R1149-N1152 PolarHBondContact O-OD1 2.82Å; L1150-N1152 PolarHBondContact O-N 3.28Å
1153	R	53.8	Low	69.7	Low	215 Å²	215	77.1 Å²	77.1	81%	0.811	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-11.8	171.7	-69.9	179	171.9	173.5	-1.9	113.3	R1149 L1150 M1151	R1149-R1153 WeakPolarHBondContact O-CG 3.37Å; L1150-R1153 WeakPolarHBondContact O-CB 3.27Å; L1150-R1153 PolarHBondContact O-N 3.01Å; M1151-R1153 PolarHBondContact O-N 3.13Å; M1151-R1153 VanDerWaalsContact O-N 3.11Å
1154	S	52.7	Low	69.2	Low	75.8 Å²	75.8	77 Å²	77	53%	0.53	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	32	-174.4	40.9	0	0	0	0	114.7	L1150 M1151 S1156	L1150-S1154 PolarHBondContact O-N 3.22Å; M1151-S1154 PolarHBondContact O-N 3.18Å; M1151-S1154 VanDerWaalsContact O-O 3.09Å; M1151-S1154 PolarHBondContact O-OG 3.03Å; S1154-S1156 VanDerWaalsContact CB-OG 3.28Å; S1154-S1156 WeakPolarHBondContact CB-OG 2.94Å; S1154-S1156 PolarHBondContact O-N 3.08Å; S1154-S1156 PolarHBondContact OG-OG 3.06Å
1155	R	48.2	Very low	68.7	Low	254.2 Å²	254.2	77.8 Å²	77.8	96%	0.959	38%	0.377	S	S	*	.			trans	13.6	20.4	174.6	-78.8	-175	176.2	172.9	-1.1	114.9	M1151	M1151-R1155 PolarHBondContact O-N 2.99Å
1156	S	50.4	Low	68.4	Low	63.8 Å²	63.8	73.1 Å²	73.1	45%	0.446	36%	0.355	S	S	.	.			trans	-84.3	122.1	176.5	65.3	0	0	0	0	110.6	S1154 S1158	S1154-S1156 VanDerWaalsContact CB-OG 3.28Å; S1154-S1156 WeakPolarHBondContact CB-OG 2.94Å; S1154-S1156 PolarHBondContact O-N 3.08Å; S1154-S1156 PolarHBondContact OG-OG 3.06Å; S1156-S1158 PolarHBondContact O-N 2.97Å; S1156-S1158 VanDerWaalsContact O-N 3.16Å; S1156-S1158 PolarHBondContact O-OG 3.18Å
1157	S	51	Low	67.7	Low	91 Å²	91	73.8 Å²	73.8	64%	0.636	36%	0.36	S	S	*	.			trans	-46	115.5	166.8	54.8	0	0	0	0	111.7	D1159	S1157-D1159 PolarHBondContact O-N 3.03Å; S1157-D1159 VanDerWaalsContact O-N 3.14Å
1158	S	57	Low	67.1	Low	46 Å²	46	75.8 Å²	75.8	32%	0.322	38%	0.381	S	S	.	.			trans	-93.1	100.3	174.8	-52.7	0	0	0	0	109.1	M1151 S1156 H1160	M1151-S1158 VanDerWaalsContact CE-OG 3.27Å; M1151-S1158 WeakPolarHBondContact CE-OG 3.26Å; M1151-S1158 PolarHBondContact SD-OG 3.16Å; S1156-S1158 PolarHBondContact O-N 2.97Å; S1156-S1158 VanDerWaalsContact O-N 3.16Å; S1156-S1158 PolarHBondContact O-OG 3.18Å; S1158-H1160 PolarHBondContact O-CE1 3.39Å; S1158-H1160 PolarHBondContact O-ND1 3.32Å
1159	D	66.5	Low	66.6	Low	53.2 Å²	53.2	76.7 Å²	76.7	28%	0.284	38%	0.382	S	S	.	.			trans	-76.6	141.3	168.5	-70.7	-17.6	0	0	0	109.1	R1092 Y1103 A1105 I1106 S1157 Y1180	R1092-D1159 IonicContact NH2-OD2 3.17Å; R1092-D1159 PolarHBondContact NH2-OD2 3.06Å; Y1103-D1159 HydrophobicContact CD2-CB 4.17Å; Y1103-D1159 WeakPolarHBondContact CD2-OD2 3.19Å; Y1103-D1159 HydrophobicContact CE2-CB 3.72Å; Y1103-D1159 VanDerWaalsContact CE2-CB 3.43Å; Y1103-D1159 WeakPolarHBondContact CE2-OD2 3.41Å; Y1103-D1159 VanDerWaalsContact CZ-OD2 3.24Å; Y1103-D1159 PolarHBondContact OH-OD2 3.25Å; A1105-D1159 CarbonylContact C-O 3.29Å; A1105-D1159 VanDerWaalsContact CA-O 3.28Å; A1105-D1159 WeakPolarHBondContact CA-O 3.31Å; A1105-D1159 HydrophobicContact CB-CB 4.48Å; A1105-D1159 VanDerWaalsContact CB-O 3.29Å; A1105-D1159 WeakPolarHBondContact CB-O 3.4Å; I1106-D1159 PolarHBondContact N-O 3Å; I1106-D1159 VanDerWaalsContact N-O 3.09Å; S1157-D1159 PolarHBondContact O-N 3.03Å; S1157-D1159 VanDerWaalsContact O-N 3.14Å; D1159-Y1180 HydrophobicContact CB-CE2 3.83Å; D1159-Y1180 WeakPolarHBondContact OD2-CE2 3.47Å; D1159-Y1180 PolarHBondContact OD2-OH 2.87Å
1160	H	72.2	Confident	66.4	Low	40.8 Å²	40.8	69 Å²	69	19%	0.189	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.8	176.5	-69.8	71.8	0	0	0	110.2	I1106 S1158 T1189 C1190 D1195	I1106-H1160 CarbonylContact O-C 3.51Å; I1106-H1160 VanDerWaalsContact O-CA 3.28Å; I1106-H1160 WeakPolarHBondContact O-CA 3.2Å; S1158-H1160 PolarHBondContact O-CE1 3.39Å; S1158-H1160 PolarHBondContact O-ND1 3.32Å; H1160-T1189 WeakPolarHBondContact CB-OG1 3.42Å; H1160-C1190 HydrophobicContact CB-CB 4.22Å; H1160-D1195 IonicContact CD2-OD1 2.75Å; H1160-D1195 IonicContact CE1-OD1 2.93Å; H1160-D1195 IonicContact NE2-OD1 3.46Å; H1160-D1195 PolarHBondContact NE2-OD1 3.08Å
1161	I	74.2	Confident	66.3	Low	7.4 Å²	7.4	67.9 Å²	67.9	4%	0.038	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	105.9	163.2	-54.8	173.4	0	0	0	106.6	V1088 I1090 A1105 I1106 V1107 C1108 Y1163 I1164 Y1178	V1088-I1161 HydrophobicContact CB-CD1 4.13Å; V1088-I1161 HydrophobicContact CG1-CD1 4.41Å; V1088-I1161 HydrophobicContact CG2-CD1 4.28Å; I1090-I1161 HydrophobicContact CD1-CD1 3.93Å; I1090-I1161 HydrophobicContact CD1-CG1 4.06Å; I1090-I1161 HydrophobicContact CG1-CD1 4.41Å; A1105-I1161 HydrophobicContact CB-CD1 3.91Å; A1105-I1161 HydrophobicContact CB-CG1 3.7Å; I1106-I1161 PolarHBondContact O-N 3.08Å; V1107-I1161 HydrophobicContact CG2-CB 4.44Å; V1107-I1161 HydrophobicContact CG2-CD1 4.32Å; C1108-I1161 PolarHBondContact N-O 3.18Å; C1108-I1161 VanDerWaalsContact N-O 3.13Å; C1108-I1161 PolarHBondContact SG-O 3.17Å; I1161-Y1163 VanDerWaalsContact C-N 3.28Å; I1161-Y1163 VanDerWaalsContact CG2-O 3.32Å; I1161-Y1163 WeakPolarHBondContact CG2-O 3.37Å; I1161-Y1163 PolarHBondContact O-N 2.98Å; I1161-I1164 HydrophobicContact CB-CG1 4.44Å; I1161-I1164 HydrophobicContact CD1-CD1 4.32Å; I1161-I1164 HydrophobicContact CG2-CD1 4.09Å; I1161-I1164 HydrophobicContact CG2-CG1 3.54Å; I1161-I1164 VanDerWaalsContact CG2-CG1 3.49Å; I1161-Y1178 HydrophobicContact CD1-CD1 4.37Å; I1161-Y1178 HydrophobicContact CD1-CE1 4.32Å; I1161-Y1178 HydrophobicContact CG2-CD1 3.88Å; I1161-Y1178 HydrophobicContact CG2-CE1 4.45Å
1162	T	69.6	Low	66.5	Low	35.6 Å²	35.6	67.4 Å²	67.4	22%	0.218	35%	0.348	C	S	.	.			trans	-74.2	-20.1	-178.2	52.8	0	0	0	0	113.3	D1110 N1179 E1181 Q1188 T1189 C1190	D1110-T1162 VanDerWaalsContact O-O 3.09Å; T1162-N1179 PolarHBondContact OG1-ND2 3.1Å; T1162-E1181 WeakPolarHBondContact CG2-OE2 3.29Å; T1162-Q1188 WeakPolarHBondContact CG2-O 3.29Å; T1162-T1189 HydrophobicContact CG2-CG2 4.11Å; T1162-T1189 WeakPolarHBondContact CG2-OG1 3Å; T1162-C1190 HydrophobicContact CG2-CB 4.38Å
1163	Y	71.1	Confident	67.3	Low	66.4 Å²	66.4	60.9 Å²	60.9	26%	0.26	31%	0.313	S	S	.	.			trans	-157.4	129.9	-174.2	-173.2	-110.8	0	0	0	110.8	R227 N228 G1111 I1161 D1165 Y1178 N1179	R227-Y1163 HydrophobicContact CB-CD1 4.4Å; N228-Y1163 WeakPolarHBondContact ND2-CD2 3.41Å; N228-Y1163 WeakPolarHBondContact ND2-CE2 3.37Å; G1111-Y1163 VanDerWaalsContact CA-CE2 3.45Å; G1111-Y1163 WeakPolarHBondContact O-CE2 3.41Å; I1161-Y1163 VanDerWaalsContact C-N 3.28Å; I1161-Y1163 VanDerWaalsContact CG2-O 3.32Å; I1161-Y1163 WeakPolarHBondContact CG2-O 3.37Å; I1161-Y1163 PolarHBondContact O-N 2.98Å; Y1163-D1165 HydrophobicContact CD1-CB 4.31Å; Y1163-D1165 HydrophobicContact CE1-CB 3.47Å; Y1163-D1165 VanDerWaalsContact CE1-CB 3.47Å; Y1163-D1165 HydrophobicContact CE2-CB 4.47Å; Y1163-D1165 VanDerWaalsContact CZ-CB 3.48Å; Y1163-D1165 WeakPolarHBondContact OH-CB 3.12Å; Y1163-D1165 VanDerWaalsContact OH-CG 3.24Å; Y1163-D1165 PolarHBondContact OH-OD2 3.05Å; Y1163-Y1178 VanDerWaalsContact O-CA 3.31Å; Y1163-Y1178 WeakPolarHBondContact O-CA 3.29Å; Y1163-N1179 WeakPolarHBondContact CB-ND2 3.24Å; Y1163-N1179 PolarHBondContact O-N 2.84Å; Y1163-N1179 VanDerWaalsContact O-N 3.13Å
1164	I	77.6	Confident	68.3	Low	3.2 Å²	3.2	53.1 Å²	53.1	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	116.9	170.2	-63	179.5	0	0	0	107.4	V1107 G1111 F1112 A1116 I1161 L1173 C1176 Y1178	V1107-I1164 HydrophobicContact CB-CD1 4.36Å; V1107-I1164 HydrophobicContact CG1-CD1 3.72Å; V1107-I1164 HydrophobicContact CG1-CG1 4.25Å; V1107-I1164 HydrophobicContact CG2-CD1 3.76Å; G1111-I1164 VanDerWaalsContact O-O 3.13Å; F1112-I1164 HydrophobicContact CD2-CD1 4.49Å; A1116-I1164 HydrophobicContact CB-CG2 4.23Å; I1161-I1164 HydrophobicContact CB-CG1 4.44Å; I1161-I1164 HydrophobicContact CD1-CD1 4.32Å; I1161-I1164 HydrophobicContact CG2-CD1 4.09Å; I1161-I1164 HydrophobicContact CG2-CG1 3.54Å; I1161-I1164 VanDerWaalsContact CG2-CG1 3.49Å; I1164-L1173 HydrophobicContact CD1-CD1 4.32Å; I1164-L1173 HydrophobicContact CD1-CD2 4.13Å; I1164-L1173 HydrophobicContact CD1-CG 4.33Å; I1164-L1173 HydrophobicContact CG2-CD1 4.13Å; I1164-L1173 HydrophobicContact CG2-CD2 4.23Å; I1164-L1173 HydrophobicContact CG2-CG 4.42Å; I1164-C1176 HydrophobicContact CG2-CB 3.9Å; I1164-Y1178 HydrophobicContact CB-CD1 4.39Å; I1164-Y1178 HydrophobicContact CB-CE1 4.22Å; I1164-Y1178 HydrophobicContact CD1-CD1 4.43Å; I1164-Y1178 HydrophobicContact CD1-CE1 3.79Å; I1164-Y1178 HydrophobicContact CG1-CD1 3.82Å; I1164-Y1178 HydrophobicContact CG1-CE1 3.64Å; I1164-Y1178 HydrophobicContact CG2-CD1 4.29Å; I1164-Y1178 HydrophobicContact CG2-CE1 3.8Å
1165	D	75	Confident	69.3	Low	33.8 Å²	33.8	52.7 Å²	52.7	18%	0.181	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	111.1	174.9	-167.6	16.2	0	0	0	110.5	R192 N1113 Y1163 Q1167 C1176 E1177	R192-D1165 IonicContact NH2-OD2 3.75Å; N1113-D1165 PolarHBondContact ND2-OD1 3.16Å; Y1163-D1165 HydrophobicContact CD1-CB 4.31Å; Y1163-D1165 HydrophobicContact CE1-CB 3.47Å; Y1163-D1165 VanDerWaalsContact CE1-CB 3.47Å; Y1163-D1165 HydrophobicContact CE2-CB 4.47Å; Y1163-D1165 VanDerWaalsContact CZ-CB 3.48Å; Y1163-D1165 WeakPolarHBondContact OH-CB 3.12Å; Y1163-D1165 VanDerWaalsContact OH-CG 3.24Å; Y1163-D1165 PolarHBondContact OH-OD2 3.05Å; D1165-Q1167 VanDerWaalsContact CG-NE2 3.31Å; D1165-Q1167 PolarHBondContact OD1-NE2 3.02Å; D1165-Q1167 PolarHBondContact OD2-NE2 2.83Å; D1165-C1176 WeakPolarHBondContact O-CB 3.28Å; D1165-E1177 HydrophobicContact CB-CB 4.31Å; D1165-E1177 PolarHBondContact N-O 3.23Å; D1165-E1177 PolarHBondContact O-N 3.1Å
1166	C	80.6	Confident	70.7	Confident	5.6 Å²	5.6	40.8 Å²	40.8	4%	0.038	24%	0.238	C	C	.	.			trans	-101.7	128.6	173.2	-54.8	0	0	0	0	109.3	N1113 H1115 A1116 L1119 G1168 E1170 C1176	N1113-C1166 PolarHBondContact ND2-N 3.07Å; N1113-C1166 PolarHBondContact ND2-O 3.07Å; H1115-C1166 HydrophobicContact CB-CB 4.27Å; A1116-C1166 HydrophobicContact CB-CB 4.46Å; A1116-C1166 VanDerWaalsContact CB-SG 3.58Å; L1119-C1166 HydrophobicContact CD1-CB 4.48Å; C1166-G1168 VanDerWaalsContact C-N 3.34Å; C1166-E1170 WeakPolarHBondContact CA-OE1 3.11Å; C1166-C1176 HydrophobicContact CB-CB 3.97Å; C1166-C1176 WeakPolarHBondContact CB-SG 3.31Å; C1166-C1176 WeakPolarHBondContact SG-CB 3.28Å; C1166-C1176 CovalentContact SG-SG 2.03Å; C1166-C1176 PolarHBondContact SG-SG 2.91Å
1167	Q	72	Confident	71.8	Confident	97.4 Å²	97.4	41 Å²	41	46%	0.455	23%	0.231	S	C	.	.			trans	-88.9	-5.4	-174.2	-62.3	-106.8	-39.6	0	0	113.6	R712 D1165 F1169 E1170	R712-Q1167 VanDerWaalsContact CZ-OE1 3.3Å; D1165-Q1167 VanDerWaalsContact CG-NE2 3.31Å; D1165-Q1167 PolarHBondContact OD1-NE2 3.02Å; D1165-Q1167 PolarHBondContact OD2-NE2 2.83Å; Q1167-F1169 HydrophobicContact CB-CD1 3.9Å; Q1167-F1169 HydrophobicContact CB-CE1 3.35Å; Q1167-F1169 VanDerWaalsContact CB-CE1 3.44Å; Q1167-F1169 HydrophobicContact CB-CZ 3.95Å; Q1167-F1169 HydrophobicContact CG-CE1 4.16Å; Q1167-F1169 HydrophobicContact CG-CZ 4.29Å; Q1167-E1170 VanDerWaalsContact N-CD 3.29Å; Q1167-E1170 PolarHBondContact N-OE1 3.1Å; Q1167-E1170 PolarHBondContact N-OE2 2.94Å; Q1167-E1170 VanDerWaalsContact N-OE2 3.15Å
1168	G	71.7	Confident	72.8	Confident	42 Å²	42	39.3 Å²	39.3	43%	0.433	21%	0.211	S	C	.	.	S	Bend	trans	105.5	-3.8	172.3	0	0	0	0	0	115.2	H1115 C1166 E1170	H1115-G1168 PolarHBondContact CE1-O 3.03Å; H1115-G1168 VanDerWaalsContact CE1-O 3.26Å; H1115-G1168 WeakPolarHBondContact NE2-CA 3.21Å; C1166-G1168 VanDerWaalsContact C-N 3.34Å; G1168-E1170 PolarHBondContact N-OE2 3.22Å
1169	F	69.9	Low	73.1	Confident	62.2 Å²	62.2	40 Å²	40	27%	0.273	21%	0.212	S	C	.	.			trans	-106.2	-9.6	178.5	56.1	-103.7	0	0	0	113.2	L739 I743 H764 Y768 Q1167	L739-F1169 HydrophobicContact CD2-CE2 4.35Å; I743-F1169 HydrophobicContact CD1-CD1 4.23Å; I743-F1169 HydrophobicContact CD1-CE1 3.93Å; I743-F1169 HydrophobicContact CD1-CZ 4.21Å; H764-F1169 AromaticContact CE1-CD2 3.55Å; H764-F1169 PolarHBondContact CE1-O 3.06Å; H764-F1169 AromaticContact NE2-CD2 3.12Å; H764-F1169 WeakPolarHBondContact NE2-CD2 3.43Å; H764-F1169 AromaticContact NE2-CE2 3.79Å; H764-F1169 AromaticContact NE2-CG 3.92Å; Y768-F1169 HydrophobicContact CE2-CB 4.21Å; Q1167-F1169 HydrophobicContact CB-CD1 3.9Å; Q1167-F1169 HydrophobicContact CB-CE1 3.35Å; Q1167-F1169 VanDerWaalsContact CB-CE1 3.44Å; Q1167-F1169 HydrophobicContact CB-CZ 3.95Å; Q1167-F1169 HydrophobicContact CG-CE1 4.16Å; Q1167-F1169 HydrophobicContact CG-CZ 4.29Å
1170	E	76.2	Confident	72.5	Confident	9 Å²	9	41.8 Å²	41.8	4%	0.042	22%	0.215	C	C	.	.			trans	-69.4	144.8	178.6	-58.9	89.5	163.6	0	0	111.3	H1115 L1119 C1166 Q1167 G1168 E1175 C1176	H1115-E1170 IonicContact CD2-OE2 2.93Å; H1115-E1170 PolarHBondContact NE2-O 2.74Å; H1115-E1170 VanDerWaalsContact NE2-O 3.09Å; H1115-E1170 IonicContact NE2-OE2 3.63Å; L1119-E1170 HydrophobicContact CD1-CB 4Å; L1119-E1170 WeakPolarHBondContact CD2-O 3.43Å; C1166-E1170 WeakPolarHBondContact CA-OE1 3.11Å; Q1167-E1170 VanDerWaalsContact N-CD 3.29Å; Q1167-E1170 PolarHBondContact N-OE1 3.1Å; Q1167-E1170 PolarHBondContact N-OE2 2.94Å; Q1167-E1170 VanDerWaalsContact N-OE2 3.15Å; G1168-E1170 PolarHBondContact N-OE2 3.22Å; E1170-E1175 WeakPolarHBondContact CA-OE2 3.22Å; E1170-E1175 HydrophobicContact CB-CB 4.01Å; E1170-E1175 HydrophobicContact CG-CB 3.95Å; E1170-C1176 HydrophobicContact CG-CB 4.48Å
1171	T	71.7	Confident	71.3	Confident	50 Å²	50	45.5 Å²	45.5	31%	0.307	23%	0.232	S	C	.	.	S	Bend	trans	-114.9	-7.9	179.7	62.3	0	0	0	0	113.8	S803 K834 L1119 E1175	S803-T1171 VanDerWaalsContact OG-CG2 3.3Å; S803-T1171 WeakPolarHBondContact OG-CG2 3.32Å; S803-T1171 PolarHBondContact OG-OG1 2.92Å; K834-T1171 PolarHBondContact NZ-OG1 2.67Å; L1119-T1171 VanDerWaalsContact CD2-C 3.44Å; L1119-T1171 WeakPolarHBondContact CD2-O 3.35Å; T1171-E1175 WeakPolarHBondContact CA-OE2 3.22Å; T1171-E1175 PolarHBondContact N-OE2 2.92Å; T1171-E1175 PolarHBondContact OG1-OE1 3.04Å; T1171-E1175 VanDerWaalsContact OG1-OE1 3.11Å; T1171-E1175 PolarHBondContact OG1-OE2 3.15Å; T1171-E1175 VanDerWaalsContact OG1-OE2 3.12Å
1172	D	74.4	Confident	69.7	Low	24.2 Å²	24.2	49.4 Å²	49.4	13%	0.129	26%	0.258	C	S	.	.	S	Bend	trans	-138.4	145.7	170.8	-171.8	-12.4	0	0	0	108.2	T1067 N1123 S1174 E1175	T1067-D1172 VanDerWaalsContact CG2-OD2 3.28Å; T1067-D1172 WeakPolarHBondContact CG2-OD2 3.32Å; T1067-D1172 PolarHBondContact OG1-OD1 3.08Å; T1067-D1172 PolarHBondContact OG1-OD2 3.09Å; T1067-D1172 VanDerWaalsContact OG1-OD2 3.09Å; N1123-D1172 PolarHBondContact ND2-OD1 3.01Å; N1123-D1172 PolarHBondContact ND2-OD2 2.87Å; D1172-S1174 PolarHBondContact O-N 2.9Å; D1172-S1174 VanDerWaalsContact O-N 3.14Å; D1172-S1174 WeakPolarHBondContact OD1-CB 3.37Å; D1172-S1174 PolarHBondContact OD1-N 2.86Å; D1172-S1174 PolarHBondContact OD1-OG 3.42Å; D1172-S1174 WeakPolarHBondContact OD2-CB 3.33Å; D1172-S1174 PolarHBondContact OD2-OG 3.05Å; D1172-E1175 HydrophobicContact CB-CG 4.24Å; D1172-E1175 PolarHBondContact N-OE2 3.07Å; D1172-E1175 WeakPolarHBondContact O-CB 3.32Å; D1172-E1175 PolarHBondContact O-N 3.19Å
1173	L	78.5	Confident	68.2	Low	1.6 Å²	1.6	52.8 Å²	52.8	1%	0.008	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-58.2	-30.3	178.1	-154.1	82.3	0	0	0	111.7	V1068 L1086 V1088 F1112 A1116 L1119 A1120 I1164 E1175 C1176 Y1178	V1068-L1173 HydrophobicContact CG2-CB 4.05Å; V1068-L1173 HydrophobicContact CG2-CD1 3.54Å; V1068-L1173 HydrophobicContact CG2-CD2 3.83Å; V1068-L1173 HydrophobicContact CG2-CG 4.46Å; L1086-L1173 HydrophobicContact CD1-CD2 4.36Å; L1086-L1173 HydrophobicContact CD2-CD2 4.3Å; V1088-L1173 HydrophobicContact CG1-CD2 4.39Å; V1088-L1173 HydrophobicContact CG2-CD2 3.6Å; V1088-L1173 HydrophobicContact CG2-CG 4.39Å; F1112-L1173 HydrophobicContact CE2-CD1 4.45Å; A1116-L1173 HydrophobicContact CB-CD1 3.9Å; A1116-L1173 HydrophobicContact CB-CD2 4.05Å; A1116-L1173 WeakPolarHBondContact O-CD1 3.42Å; L1119-L1173 HydrophobicContact CB-CB 4.27Å; L1119-L1173 HydrophobicContact CB-CD1 4.22Å; L1119-L1173 HydrophobicContact CB-CD2 4.21Å; L1119-L1173 HydrophobicContact CB-CG 3.76Å; A1120-L1173 HydrophobicContact CB-CD1 3.82Å; A1120-L1173 HydrophobicContact CB-CD2 4.16Å; I1164-L1173 HydrophobicContact CD1-CD1 4.32Å; I1164-L1173 HydrophobicContact CD1-CD2 4.13Å; I1164-L1173 HydrophobicContact CD1-CG 4.33Å; I1164-L1173 HydrophobicContact CG2-CD1 4.13Å; I1164-L1173 HydrophobicContact CG2-CD2 4.23Å; I1164-L1173 HydrophobicContact CG2-CG 4.42Å; L1173-E1175 PolarHBondContact O-N 2.94Å; L1173-E1175 VanDerWaalsContact O-N 3.16Å; L1173-C1176 WeakPolarHBondContact O-CB 3.36Å; L1173-C1176 PolarHBondContact O-N 2.99Å; L1173-C1176 PolarHBondContact O-SG 3.36Å; L1173-C1176 VanDerWaalsContact O-SG 3.36Å; L1173-Y1178 VanDerWaalsContact C-OH 3.23Å; L1173-Y1178 VanDerWaalsContact O-CE2 3.3Å; L1173-Y1178 WeakPolarHBondContact O-CE2 3.39Å; L1173-Y1178 VanDerWaalsContact O-CZ 3.22Å; L1173-Y1178 PolarHBondContact O-OH 2.97Å
1174	S	73.3	Confident	66.7	Low	52.6 Å²	52.6	53.6 Å²	53.6	37%	0.368	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-66.7	-15.4	177.4	68.6	0	0	0	0	114.7	D1172 C1176 Y1178	D1172-S1174 PolarHBondContact O-N 2.9Å; D1172-S1174 VanDerWaalsContact O-N 3.14Å; D1172-S1174 WeakPolarHBondContact OD1-CB 3.37Å; D1172-S1174 PolarHBondContact OD1-N 2.86Å; D1172-S1174 PolarHBondContact OD1-OG 3.42Å; D1172-S1174 WeakPolarHBondContact OD2-CB 3.33Å; D1172-S1174 PolarHBondContact OD2-OG 3.05Å; S1174-C1176 VanDerWaalsContact C-N 3.32Å; S1174-Y1178 VanDerWaalsContact CA-OH 3.31Å; S1174-Y1178 WeakPolarHBondContact CA-OH 3.49Å; S1174-Y1178 PolarHBondContact N-OH 3.16Å; S1174-Y1178 WeakPolarHBondContact O-CE1 3.34Å
1175	E	73.9	Confident	64.9	Low	66.8 Å²	66.8	60.8 Å²	60.8	31%	0.312	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-85.1	-16.5	177.7	-61.7	174	168.1	0	0	112.4	L739 H764 K834 E1170 T1171 D1172 L1173	L739-E1175 HydrophobicContact CD2-CB 4.29Å; H764-E1175 IonicContact CE1-OE1 3.39Å; H764-E1175 IonicContact CE1-OE2 2.85Å; H764-E1175 PolarHBondContact CE1-OE2 2.98Å; H764-E1175 IonicContact CG-OE1 2.63Å; H764-E1175 IonicContact ND1-OE1 3.59Å; H764-E1175 PolarHBondContact ND1-OE1 3.06Å; H764-E1175 IonicContact ND1-OE2 2.99Å; H764-E1175 PolarHBondContact ND1-OE2 2.93Å; K834-E1175 IonicContact NZ-OE1 3.6Å; K834-E1175 PolarHBondContact NZ-OE1 3.34Å; K834-E1175 VanDerWaalsContact NZ-OE1 3.09Å; E1170-E1175 WeakPolarHBondContact CA-OE2 3.22Å; E1170-E1175 HydrophobicContact CB-CB 4.01Å; E1170-E1175 HydrophobicContact CG-CB 3.95Å; T1171-E1175 WeakPolarHBondContact CA-OE2 3.22Å; T1171-E1175 PolarHBondContact N-OE2 2.92Å; T1171-E1175 PolarHBondContact OG1-OE1 3.04Å; T1171-E1175 VanDerWaalsContact OG1-OE1 3.11Å; T1171-E1175 PolarHBondContact OG1-OE2 3.15Å; T1171-E1175 VanDerWaalsContact OG1-OE2 3.12Å; D1172-E1175 HydrophobicContact CB-CG 4.24Å; D1172-E1175 PolarHBondContact N-OE2 3.07Å; D1172-E1175 WeakPolarHBondContact O-CB 3.32Å; D1172-E1175 PolarHBondContact O-N 3.19Å; L1173-E1175 PolarHBondContact O-N 2.94Å; L1173-E1175 VanDerWaalsContact O-N 3.16Å
1176	C	78.7	Confident	63.3	Low	5 Å²	5	65.2 Å²	65.2	3%	0.034	35%	0.353	C	S	.	.	S	Bend	trans	-69.1	159.3	180	-57.6	0	0	0	0	111.9	I1164 D1165 C1166 E1170 L1173 S1174 Y1178	I1164-C1176 HydrophobicContact CG2-CB 3.9Å; D1165-C1176 WeakPolarHBondContact O-CB 3.28Å; C1166-C1176 HydrophobicContact CB-CB 3.97Å; C1166-C1176 WeakPolarHBondContact CB-SG 3.31Å; C1166-C1176 WeakPolarHBondContact SG-CB 3.28Å; C1166-C1176 CovalentContact SG-SG 2.03Å; C1166-C1176 PolarHBondContact SG-SG 2.91Å; E1170-C1176 HydrophobicContact CG-CB 4.48Å; L1173-C1176 WeakPolarHBondContact O-CB 3.36Å; L1173-C1176 PolarHBondContact O-N 2.99Å; L1173-C1176 PolarHBondContact O-SG 3.36Å; L1173-C1176 VanDerWaalsContact O-SG 3.36Å; S1174-C1176 VanDerWaalsContact C-N 3.32Å; C1176-Y1178 HydrophobicContact CB-CE2 4.29Å; C1176-Y1178 VanDerWaalsContact O-CD1 3.28Å; C1176-Y1178 WeakPolarHBondContact O-CD1 3.37Å; C1176-Y1178 WeakPolarHBondContact O-CD2 3.31Å; C1176-Y1178 WeakPolarHBondContact O-CE2 3.24Å; C1176-Y1178 PolarHBondContact O-N 2.92Å
1177	E	73.5	Confident	61.6	Low	67.2 Å²	67.2	70.2 Å²	70.2	31%	0.314	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.1	175.8	-172.8	159.6	-172.2	0	0	110.3	R227 H682 R708 D1165	R227-E1177 IonicContact CZ-OE1 3.03Å; R227-E1177 IonicContact NH1-OE1 2.68Å; R227-E1177 PolarHBondContact NH1-OE1 3.27Å; R227-E1177 IonicContact NH2-OE1 3.29Å; R227-E1177 PolarHBondContact NH2-OE1 3.49Å; H682-E1177 IonicContact CE1-OE1 3.34Å; R708-E1177 IonicContact CZ-OE1 3.04Å; R708-E1177 IonicContact CZ-OE2 3.16Å; R708-E1177 IonicContact NE-OE2 3.16Å; R708-E1177 VanDerWaalsContact NH1-CB 3.26Å; R708-E1177 IonicContact NH1-OE1 3.52Å; R708-E1177 PolarHBondContact NH1-OE1 3.39Å; R708-E1177 IonicContact NH1-OE2 3.11Å; R708-E1177 PolarHBondContact NH1-OE2 2.5Å; R708-E1177 IonicContact NH2-OE1 3.59Å; R708-E1177 PolarHBondContact NH2-OE1 3.12Å; R708-E1177 IonicContact NH2-OE2 3.38Å; R708-E1177 PolarHBondContact NH2-OE2 2.96Å; D1165-E1177 HydrophobicContact CB-CB 4.31Å; D1165-E1177 PolarHBondContact N-O 3.23Å; D1165-E1177 PolarHBondContact O-N 3.1Å
1178	Y	71.7	Confident	60.6	Low	54.8 Å²	54.8	71.9 Å²	71.9	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.5	176.4	16.4	-83.3	0	0	0	110.5	I1090 I1161 Y1163 I1164 L1173 S1174 C1176 Y1180	I1090-Y1178 HydrophobicContact CD1-CD2 4.37Å; I1090-Y1178 HydrophobicContact CD1-CE2 4.36Å; I1090-Y1178 HydrophobicContact CG2-CE2 3.97Å; I1161-Y1178 HydrophobicContact CD1-CD1 4.37Å; I1161-Y1178 HydrophobicContact CD1-CE1 4.32Å; I1161-Y1178 HydrophobicContact CG2-CD1 3.88Å; I1161-Y1178 HydrophobicContact CG2-CE1 4.45Å; Y1163-Y1178 VanDerWaalsContact O-CA 3.31Å; Y1163-Y1178 WeakPolarHBondContact O-CA 3.29Å; I1164-Y1178 HydrophobicContact CB-CD1 4.39Å; I1164-Y1178 HydrophobicContact CB-CE1 4.22Å; I1164-Y1178 HydrophobicContact CD1-CD1 4.43Å; I1164-Y1178 HydrophobicContact CD1-CE1 3.79Å; I1164-Y1178 HydrophobicContact CG1-CD1 3.82Å; I1164-Y1178 HydrophobicContact CG1-CE1 3.64Å; I1164-Y1178 HydrophobicContact CG2-CD1 4.29Å; I1164-Y1178 HydrophobicContact CG2-CE1 3.8Å; L1173-Y1178 VanDerWaalsContact C-OH 3.23Å; L1173-Y1178 VanDerWaalsContact O-CE2 3.3Å; L1173-Y1178 WeakPolarHBondContact O-CE2 3.39Å; L1173-Y1178 VanDerWaalsContact O-CZ 3.22Å; L1173-Y1178 PolarHBondContact O-OH 2.97Å; S1174-Y1178 VanDerWaalsContact CA-OH 3.31Å; S1174-Y1178 WeakPolarHBondContact CA-OH 3.49Å; S1174-Y1178 PolarHBondContact N-OH 3.16Å; S1174-Y1178 WeakPolarHBondContact O-CE1 3.34Å; C1176-Y1178 HydrophobicContact CB-CE2 4.29Å; C1176-Y1178 VanDerWaalsContact O-CD1 3.28Å; C1176-Y1178 WeakPolarHBondContact O-CD1 3.37Å; C1176-Y1178 WeakPolarHBondContact O-CD2 3.31Å; C1176-Y1178 WeakPolarHBondContact O-CE2 3.24Å; C1176-Y1178 PolarHBondContact O-N 2.92Å; Y1178-Y1180 VanDerWaalsContact C-N 3.34Å; Y1178-Y1180 AromaticContact CD2-CE2 3.97Å; Y1178-Y1180 HydrophobicContact CD2-CE2 4.09Å; Y1178-Y1180 HydrophobicContact CE2-CD1 4.46Å; Y1178-Y1180 HydrophobicContact CE2-CE1 4.17Å; Y1178-Y1180 HydrophobicContact CG-CE2 4.13Å; Y1178-Y1180 VanDerWaalsContact O-CD2 3.23Å; Y1178-Y1180 WeakPolarHBondContact O-CD2 3.36Å; Y1178-Y1180 PolarHBondContact O-N 3.11Å; Y1178-Y1180 VanDerWaalsContact O-N 3.12Å
1179	N	62.1	Low	59.8	Low	61.4 Å²	61.4	73.5 Å²	73.5	33%	0.328	39%	0.388	S	S	.	.			trans	-76.9	108.9	169.5	-79.1	-22.2	0	0	0	109.6	R227 T1162 Y1163 E1181	R227-N1179 WeakPolarHBondContact CD-ND2 3.38Å; R227-N1179 WeakPolarHBondContact CG-ND2 3.05Å; R227-N1179 PolarHBondContact NE-ND2 3.29Å; R227-N1179 PolarHBondContact NE-OD1 2.86Å; T1162-N1179 PolarHBondContact OG1-ND2 3.1Å; Y1163-N1179 WeakPolarHBondContact CB-ND2 3.24Å; Y1163-N1179 PolarHBondContact O-N 2.84Å; Y1163-N1179 VanDerWaalsContact O-N 3.13Å; N1179-E1181 VanDerWaalsContact C-N 3.34Å; N1179-E1181 PolarHBondContact O-N 3.21Å
1180	Y	54.9	Low	59.5	Low	91 Å²	91	71.2 Å²	71.2	36%	0.357	38%	0.379	S	S	.	.			trans	-89.7	70.8	171	-114.8	-85.3	0	0	0	111.1	Y681 I1090 R1092 Y1103 D1159 Y1178 P1182	Y681-Y1180 WeakPolarHBondContact OH-CD2 3.41Å; I1090-Y1180 HydrophobicContact CD1-CD2 3.47Å; I1090-Y1180 VanDerWaalsContact CD1-CD2 3.47Å; I1090-Y1180 HydrophobicContact CD1-CE2 4.15Å; I1090-Y1180 HydrophobicContact CD1-CG 4.29Å; I1090-Y1180 HydrophobicContact CG2-CE1 4.22Å; I1090-Y1180 WeakPolarHBondContact CG2-OH 3.44Å; R1092-Y1180 VanDerWaalsContact NH2-CZ 3.25Å; R1092-Y1180 PolarHBondContact NH2-OH 3.1Å; Y1103-Y1180 HydrophobicContact CE2-CD2 4.21Å; Y1103-Y1180 AromaticContact CE2-CE2 3.44Å; Y1103-Y1180 HydrophobicContact CE2-CE2 3.85Å; Y1103-Y1180 VanDerWaalsContact CE2-CE2 3.44Å; Y1103-Y1180 AromaticContact CE2-CZ 4Å; Y1103-Y1180 AromaticContact CZ-CE2 3.64Å; Y1103-Y1180 VanDerWaalsContact CZ-CE2 3.41Å; Y1103-Y1180 AromaticContact CZ-CZ 3.56Å; Y1103-Y1180 VanDerWaalsContact OH-CD2 3.22Å; Y1103-Y1180 WeakPolarHBondContact OH-CD2 3.49Å; Y1103-Y1180 VanDerWaalsContact OH-CE1 3.31Å; Y1103-Y1180 WeakPolarHBondContact OH-CE1 3.43Å; Y1103-Y1180 WeakPolarHBondContact OH-CE2 3.21Å; Y1103-Y1180 PolarHBondContact OH-OH 2.89Å; D1159-Y1180 HydrophobicContact CB-CE2 3.83Å; D1159-Y1180 WeakPolarHBondContact OD2-CE2 3.47Å; D1159-Y1180 PolarHBondContact OD2-OH 2.87Å; Y1178-Y1180 VanDerWaalsContact C-N 3.34Å; Y1178-Y1180 AromaticContact CD2-CE2 3.97Å; Y1178-Y1180 HydrophobicContact CD2-CE2 4.09Å; Y1178-Y1180 HydrophobicContact CE2-CD1 4.46Å; Y1178-Y1180 HydrophobicContact CE2-CE1 4.17Å; Y1178-Y1180 HydrophobicContact CG-CE2 4.13Å; Y1178-Y1180 VanDerWaalsContact O-CD2 3.23Å; Y1178-Y1180 WeakPolarHBondContact O-CD2 3.36Å; Y1178-Y1180 PolarHBondContact O-N 3.11Å; Y1178-Y1180 VanDerWaalsContact O-N 3.12Å; Y1180-P1182 VanDerWaalsContact C-CD 3.47Å; Y1180-P1182 HydrophobicContact CE1-CB 3.84Å; Y1180-P1182 HydrophobicContact CE1-CG 4.02Å; Y1180-P1182 VanDerWaalsContact O-CD 3.26Å; Y1180-P1182 WeakPolarHBondContact O-CD 3.22Å; Y1180-P1182 VanDerWaalsContact OH-CA 3.31Å; Y1180-P1182 WeakPolarHBondContact OH-CA 3.14Å
1181	E	46.5	Very low	59	Low	117.8 Å²	117.8	76.7 Å²	76.7	55%	0.55	41%	0.407	S	S	*	.			trans	-100.8	112.7	176.2	-72.7	-170.1	161.4	0	0	110.2	R155 Y225 T1162 N1179 I1183 T1189	R155-E1181 IonicContact CZ-OE1 3.84Å; R155-E1181 IonicContact NH1-OE1 3.8Å; R155-E1181 PolarHBondContact NH1-OE1 2.9Å; R155-E1181 VanDerWaalsContact NH2-CD 3.31Å; R155-E1181 IonicContact NH2-OE1 2.81Å; R155-E1181 PolarHBondContact NH2-OE1 3.16Å; Y225-E1181 VanDerWaalsContact CD2-CD 3.47Å; Y225-E1181 WeakPolarHBondContact CD2-OE1 3.18Å; Y225-E1181 WeakPolarHBondContact CD2-OE2 3.44Å; Y225-E1181 HydrophobicContact CE2-CB 4.06Å; Y225-E1181 HydrophobicContact CE2-CG 4.09Å; Y225-E1181 WeakPolarHBondContact CE2-OE2 3.32Å; T1162-E1181 WeakPolarHBondContact CG2-OE2 3.29Å; N1179-E1181 VanDerWaalsContact C-N 3.34Å; N1179-E1181 PolarHBondContact O-N 3.21Å; E1181-I1183 PolarHBondContact O-N 2.97Å; E1181-I1183 VanDerWaalsContact O-N 3.15Å; E1181-T1189 WeakPolarHBondContact OE2-CG2 3.13Å
1182	P	40	Very low	58.7	Low	89.4 Å²	89.4	78.4 Å²	78.4	58%	0.581	41%	0.414	S	S	*	.			trans	-73.2	87.5	165.7	21.7	-18.2	0	0	0	108.3	Y1180 A1184	Y1180-P1182 VanDerWaalsContact C-CD 3.47Å; Y1180-P1182 HydrophobicContact CE1-CB 3.84Å; Y1180-P1182 HydrophobicContact CE1-CG 4.02Å; Y1180-P1182 VanDerWaalsContact O-CD 3.26Å; Y1180-P1182 WeakPolarHBondContact O-CD 3.22Å; Y1180-P1182 VanDerWaalsContact OH-CA 3.31Å; Y1180-P1182 WeakPolarHBondContact OH-CA 3.14Å; P1182-A1184 VanDerWaalsContact C-N 3.32Å; P1182-A1184 PolarHBondContact O-N 3.15Å
1183	I	39.4	Very low	58.4	Low	107.2 Å²	107.2	81.3 Å²	81.3	55%	0.55	44%	0.436	S	S	.	.			trans	-54.2	95.5	169.8	-52.1	174.9	0	0	0	108.1	E1181 Y1185 T1189	E1181-I1183 PolarHBondContact O-N 2.97Å; E1181-I1183 VanDerWaalsContact O-N 3.15Å; I1183-Y1185 VanDerWaalsContact C-N 3.27Å; I1183-Y1185 HydrophobicContact CG2-CD2 3.68Å; I1183-Y1185 HydrophobicContact CG2-CE2 4.16Å; I1183-Y1185 WeakPolarHBondContact CG2-O 3.29Å; I1183-Y1185 CarbonylContact O-C 3.53Å; I1183-Y1185 VanDerWaalsContact O-CD2 3.29Å; I1183-Y1185 WeakPolarHBondContact O-CD2 3.42Å; I1183-Y1185 PolarHBondContact O-N 3Å; I1183-T1189 HydrophobicContact CD1-CG2 3.92Å
1184	A	40	Very low	58.1	Low	83.2 Å²	83.2	84.6 Å²	84.6	69%	0.688	45%	0.452	S	S	*	.	S	Bend	trans	-66.4	2.5	170	0	0	0	0	0	114.4	P1182	P1182-A1184 VanDerWaalsContact C-N 3.32Å; P1182-A1184 PolarHBondContact O-N 3.15Å
1185	Y	39	Very low	58.6	Low	154.2 Å²	154.2	82.2 Å²	82.2	61%	0.605	44%	0.435	S	S	*	.			trans	-119.1	121.3	170.9	-68.7	-77.3	0	0	0	109.6	Y130 I1183 L1187	Y130-Y1185 WeakPolarHBondContact CB-OH 3.39Å; Y130-Y1185 HydrophobicContact CG-CE2 4.49Å; I1183-Y1185 VanDerWaalsContact C-N 3.27Å; I1183-Y1185 HydrophobicContact CG2-CD2 3.68Å; I1183-Y1185 HydrophobicContact CG2-CE2 4.16Å; I1183-Y1185 WeakPolarHBondContact CG2-O 3.29Å; I1183-Y1185 CarbonylContact O-C 3.53Å; I1183-Y1185 VanDerWaalsContact O-CD2 3.29Å; I1183-Y1185 WeakPolarHBondContact O-CD2 3.42Å; I1183-Y1185 PolarHBondContact O-N 3Å; Y1185-L1187 PolarHBondContact O-N 3.15Å
1186	P	40.2	Very low	59.3	Low	126.4 Å²	126.4	79 Å²	79	82%	0.821	42%	0.42	S	S	*	.			trans	-76.7	58.3	-178.7	32.2	-33	0	0	0	111	Q1188	P1186-Q1188 PolarHBondContact O-N 3.32Å
1187	L	46.1	Very low	59.8	Low	110.4 Å²	110.4	78.8 Å²	78.8	58%	0.578	42%	0.419	S	S	*	.			trans	-97.3	89.5	171.6	-74.8	165.1	0	0	0	108.7	M220 I223 Y1185 T1189	M220-L1187 WeakPolarHBondContact O-CD2 3.48Å; M220-L1187 HydrophobicContact SD-CD1 4.22Å; I223-L1187 HydrophobicContact CD1-CD1 4.5Å; Y1185-L1187 PolarHBondContact O-N 3.15Å; L1187-T1189 VanDerWaalsContact C-N 3.31Å; L1187-T1189 HydrophobicContact CB-CG2 4.4Å; L1187-T1189 PolarHBondContact O-N 2.9Å; L1187-T1189 PolarHBondContact O-OG1 3.13Å
1188	Q	50.3	Low	60.6	Low	134 Å²	134	75.6 Å²	75.6	63%	0.626	40%	0.404	S	S	*	.			trans	-68.6	81.6	179.5	-145.2	161.3	-0.2	0	0	111.8	T1162 P1186 C1190 N1192	T1162-Q1188 WeakPolarHBondContact CG2-O 3.29Å; P1186-Q1188 PolarHBondContact O-N 3.32Å; Q1188-C1190 VanDerWaalsContact C-N 3.26Å; Q1188-C1190 WeakPolarHBondContact CG-O 3.31Å; Q1188-C1190 PolarHBondContact O-N 3.07Å; Q1188-C1190 VanDerWaalsContact O-N 3.13Å; Q1188-N1192 PolarHBondContact NE2-OD1 3.11Å; Q1188-N1192 VanDerWaalsContact NE2-OD1 3.09Å
1189	T	55.1	Low	61.5	Low	75 Å²	75	73.7 Å²	73.7	46%	0.46	40%	0.397	S	S	.	.			trans	-65.6	9.4	175	38.1	0	0	0	0	111.3	Y225 H1160 T1162 E1181 I1183 L1187 M1191	Y225-T1189 HydrophobicContact CD1-CG2 4.27Å; Y225-T1189 HydrophobicContact CD2-CG2 4.11Å; Y225-T1189 HydrophobicContact CE1-CG2 3.66Å; Y225-T1189 HydrophobicContact CE2-CG2 3.52Å; Y225-T1189 HydrophobicContact CG-CG2 4.49Å; Y225-T1189 WeakPolarHBondContact OH-CG2 3.44Å; H1160-T1189 WeakPolarHBondContact CB-OG1 3.42Å; T1162-T1189 HydrophobicContact CG2-CG2 4.11Å; T1162-T1189 WeakPolarHBondContact CG2-OG1 3Å; E1181-T1189 WeakPolarHBondContact OE2-CG2 3.13Å; I1183-T1189 HydrophobicContact CD1-CG2 3.92Å; L1187-T1189 VanDerWaalsContact C-N 3.31Å; L1187-T1189 HydrophobicContact CB-CG2 4.4Å; L1187-T1189 PolarHBondContact O-N 2.9Å; L1187-T1189 PolarHBondContact O-OG1 3.13Å; T1189-M1191 PolarHBondContact O-N 3.17Å
1190	C	63.5	Low	62.8	Low	13.6 Å²	13.6	70.8 Å²	70.8	9%	0.092	38%	0.381	C	S	.	.			trans	-89.5	122	173.1	-126.4	0	0	0	0	109.8	C1108 H1160 T1162 Q1188 N1192 M1194	C1108-C1190 HydrophobicContact CB-CB 4.11Å; C1108-C1190 WeakPolarHBondContact CB-SG 3.34Å; C1108-C1190 WeakPolarHBondContact SG-CB 3.29Å; C1108-C1190 CovalentContact SG-SG 2.02Å; C1108-C1190 PolarHBondContact SG-SG 3.06Å; H1160-C1190 HydrophobicContact CB-CB 4.22Å; T1162-C1190 HydrophobicContact CG2-CB 4.38Å; Q1188-C1190 VanDerWaalsContact C-N 3.26Å; Q1188-C1190 WeakPolarHBondContact CG-O 3.31Å; Q1188-C1190 PolarHBondContact O-N 3.07Å; Q1188-C1190 VanDerWaalsContact O-N 3.13Å; C1190-N1192 PolarHBondContact O-N 3.26Å; C1190-M1194 HydrophobicContact CB-CB 4.35Å
1191	M	65.7	Low	64.4	Low	125.8 Å²	125.8	66.6 Å²	66.6	62%	0.62	37%	0.365	S	S	*	.			trans	-73.1	147.6	170.2	-67.9	-172.6	147.1	0	0	109	T1189 S1193 M1194	T1189-M1191 PolarHBondContact O-N 3.17Å; M1191-S1193 WeakPolarHBondContact CB-OG 3.3Å; M1191-S1193 PolarHBondContact O-N 3.11Å; M1191-M1194 HydrophobicContact CB-CG 4.49Å; M1191-M1194 WeakPolarHBondContact O-CA 3.32Å; M1191-M1194 WeakPolarHBondContact O-CB 3.38Å; M1191-M1194 PolarHBondContact O-N 3.07Å
1192	N	66	Low	66.3	Low	84.6 Å²	84.6	63.9 Å²	63.9	45%	0.452	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-54.4	-17.1	177.2	-64.1	4.5	0	0	0	114	Q1188 C1190 M1194 D1195	Q1188-N1192 PolarHBondContact NE2-OD1 3.11Å; Q1188-N1192 VanDerWaalsContact NE2-OD1 3.09Å; C1190-N1192 PolarHBondContact O-N 3.26Å; N1192-M1194 VanDerWaalsContact C-N 3.28Å; N1192-M1194 PolarHBondContact O-N 2.83Å; N1192-D1195 WeakPolarHBondContact CA-OD1 3.29Å; N1192-D1195 VanDerWaalsContact O-CG 3.32Å
1193	S	67.9	Low	68.5	Low	85 Å²	85	59.9 Å²	59.9	59%	0.594	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-74.4	-14	173.2	56.3	0	0	0	0	114.5	M1191	M1191-S1193 WeakPolarHBondContact CB-OG 3.3Å; M1191-S1193 PolarHBondContact O-N 3.11Å
1194	M	72.9	Confident	70.9	Confident	71.8 Å²	71.8	54.9 Å²	54.9	35%	0.354	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-103.7	5.8	179.5	-61.4	-147.5	-151.3	0	0	112.2	C1108 E1109 D1110 C1190 M1191 N1192 L1196	C1108-M1194 WeakPolarHBondContact CA-O 3.36Å; E1109-M1194 PolarHBondContact N-O 2.87Å; E1109-M1194 VanDerWaalsContact N-O 3.08Å; D1110-M1194 WeakPolarHBondContact OD1-CE 3.47Å; D1110-M1194 VanDerWaalsContact OD2-CE 3.24Å; D1110-M1194 WeakPolarHBondContact OD2-CE 3.38Å; C1190-M1194 HydrophobicContact CB-CB 4.35Å; M1191-M1194 HydrophobicContact CB-CG 4.49Å; M1191-M1194 WeakPolarHBondContact O-CA 3.32Å; M1191-M1194 WeakPolarHBondContact O-CB 3.38Å; M1191-M1194 PolarHBondContact O-N 3.07Å; N1192-M1194 VanDerWaalsContact C-N 3.28Å; N1192-M1194 PolarHBondContact O-N 2.83Å; M1194-L1196 PolarHBondContact O-N 2.98Å; M1194-L1196 VanDerWaalsContact O-N 3.17Å
1195	D	83.3	Confident	73.5	Confident	0.6 Å²	0.6	50.9 Å²	50.9	0%	0.003	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-55.8	122.2	171.9	-78.7	12.7	0	0	0	109.3	R1085 I1106 I1144 H1160 N1192 V1197	R1085-D1195 WeakPolarHBondContact CD-OD2 3.27Å; R1085-D1195 HydrophobicContact CG-CB 4.24Å; R1085-D1195 IonicContact CZ-OD2 3.31Å; R1085-D1195 IonicContact NE-OD2 3.27Å; R1085-D1195 IonicContact NH1-OD2 3.04Å; R1085-D1195 PolarHBondContact NH1-OD2 3.12Å; I1106-D1195 HydrophobicContact CG2-CB 4.35Å; I1144-D1195 HydrophobicContact CD1-CB 3.87Å; I1144-D1195 HydrophobicContact CG1-CB 3.9Å; I1144-D1195 HydrophobicContact CG2-CB 4.43Å; H1160-D1195 IonicContact CD2-OD1 2.75Å; H1160-D1195 IonicContact CE1-OD1 2.93Å; H1160-D1195 IonicContact NE2-OD1 3.46Å; H1160-D1195 PolarHBondContact NE2-OD1 3.08Å; N1192-D1195 WeakPolarHBondContact CA-OD1 3.29Å; N1192-D1195 VanDerWaalsContact O-CG 3.32Å; D1195-V1197 PolarHBondContact O-N 3.09Å
1196	L	87.6	Confident	76.1	Confident	0.4 Å²	0.4	43.6 Å²	43.6	0%	0.002	24%	0.237	C	C	.	.			trans	-72.5	119.3	-178.1	-177.3	60.2	0	0	0	110.7	R1085 L1086 V1107 E1109 F1112 W1133 L1134 M1194 I1198	R1085-L1196 CarbonylContact C-O 3.51Å; R1085-L1196 WeakPolarHBondContact CA-O 3.23Å; L1086-L1196 HydrophobicContact CD2-CD2 3.97Å; L1086-L1196 PolarHBondContact N-O 3.13Å; V1107-L1196 HydrophobicContact CB-CB 4.46Å; V1107-L1196 HydrophobicContact CB-CD2 4.44Å; V1107-L1196 HydrophobicContact CG1-CB 4.49Å; V1107-L1196 HydrophobicContact CG1-CD2 4Å; V1107-L1196 VanDerWaalsContact O-CB 3.25Å; V1107-L1196 WeakPolarHBondContact O-CB 3.34Å; V1107-L1196 PolarHBondContact O-N 3.13Å; E1109-L1196 HydrophobicContact CB-CD1 4.07Å; E1109-L1196 HydrophobicContact CG-CB 4.04Å; E1109-L1196 HydrophobicContact CG-CD1 4Å; F1112-L1196 HydrophobicContact CB-CD2 3.88Å; F1112-L1196 HydrophobicContact CD1-CD2 3.48Å; F1112-L1196 VanDerWaalsContact CD1-CD2 3.47Å; F1112-L1196 HydrophobicContact CD2-CD2 3.65Å; F1112-L1196 HydrophobicContact CE1-CD2 3.77Å; F1112-L1196 HydrophobicContact CE2-CD2 3.96Å; F1112-L1196 HydrophobicContact CG-CD2 3.39Å; F1112-L1196 VanDerWaalsContact CG-CD2 3.42Å; F1112-L1196 HydrophobicContact CZ-CD2 4.01Å; W1133-L1196 HydrophobicContact CH2-CD1 4.27Å; W1133-L1196 HydrophobicContact CZ3-CD1 3.81Å; L1134-L1196 HydrophobicContact CD1-CD1 4.49Å; L1134-L1196 HydrophobicContact CD2-CD1 4.37Å; M1194-L1196 PolarHBondContact O-N 2.98Å; M1194-L1196 VanDerWaalsContact O-N 3.17Å; L1196-I1198 HydrophobicContact CD1-CG2 4.11Å; L1196-I1198 HydrophobicContact CD2-CG2 3.94Å; L1196-I1198 HydrophobicContact CG-CG2 3.76Å
1197	V	89.6	Confident	78.7	Confident	0.6 Å²	0.6	37.6 Å²	37.6	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.6	171.1	180	0	0	0	0	108	G1084 R1085 P1135 R1140 T1143 I1144 D1195	G1084-V1197 WeakPolarHBondContact O-CA 3.37Å; R1085-V1197 HydrophobicContact CB-CG2 4.35Å; P1135-V1197 VanDerWaalsContact CD-O 3.25Å; P1135-V1197 WeakPolarHBondContact CD-O 3.36Å; P1135-V1197 HydrophobicContact CG-CG1 4.04Å; R1140-V1197 HydrophobicContact CB-CB 4.29Å; R1140-V1197 HydrophobicContact CB-CG2 4.26Å; R1140-V1197 HydrophobicContact CG-CB 4Å; R1140-V1197 HydrophobicContact CG-CG1 4.23Å; R1140-V1197 HydrophobicContact CG-CG2 4.46Å; T1143-V1197 HydrophobicContact CG2-CG1 4.03Å; T1143-V1197 HydrophobicContact CG2-CG2 4.34Å; I1144-V1197 HydrophobicContact CD1-CG2 4.07Å; I1144-V1197 HydrophobicContact CG1-CG2 3.74Å; D1195-V1197 PolarHBondContact O-N 3.09Å
1198	I	91.3	Very high	81.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	157.7	178.7	68.2	171.7	0	0	0	111.3	L1070 Y1083 G1084 L1086 F1112 L1117 A1120 W1133 L1196	L1070-I1198 HydrophobicContact CD1-CG1 4.23Å; L1070-I1198 HydrophobicContact CD2-CD1 3.89Å; L1070-I1198 HydrophobicContact CD2-CG1 3.61Å; Y1083-I1198 CarbonylContact C-O 3.55Å; Y1083-I1198 WeakPolarHBondContact CA-O 3.38Å; Y1083-I1198 WeakPolarHBondContact CB-O 3.29Å; G1084-I1198 PolarHBondContact N-O 3.09Å; G1084-I1198 PolarHBondContact O-N 3.1Å; G1084-I1198 VanDerWaalsContact O-N 3.1Å; L1086-I1198 HydrophobicContact CD1-CD1 4.09Å; L1086-I1198 HydrophobicContact CD2-CD1 4.47Å; F1112-I1198 HydrophobicContact CE1-CG2 4.2Å; L1117-I1198 HydrophobicContact CD1-CB 4.04Å; L1117-I1198 HydrophobicContact CD1-CD1 4.16Å; L1117-I1198 HydrophobicContact CD1-CG2 4Å; A1120-I1198 HydrophobicContact CB-CD1 3.78Å; W1133-I1198 HydrophobicContact CE3-CG2 4.02Å; W1133-I1198 HydrophobicContact CZ3-CG2 4.13Å; W1133-I1198 CarbonylContact O-C 3.46Å; W1133-I1198 WeakPolarHBondContact O-CA 3.36Å; L1196-I1198 HydrophobicContact CD1-CG2 4.11Å; L1196-I1198 HydrophobicContact CD2-CG2 3.94Å; L1196-I1198 HydrophobicContact CG-CG2 3.76Å
1199	Q	89.8	Confident	83.2	Confident	15.8 Å²	15.8	27.1 Å²	27.1	7%	0.074	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.3	173.6	-178.3	173.6	-14.2	0	0	109.9	S1081 Y1082 S1132 W1133 P1135 H1201	S1081-Q1199 PolarHBondContact OG-NE2 3.16Å; S1081-Q1199 VanDerWaalsContact OG-NE2 3.16Å; Y1082-Q1199 WeakPolarHBondContact O-CA 3.24Å; S1132-Q1199 PolarHBondContact O-OE1 3.38Å; S1132-Q1199 VanDerWaalsContact O-OE1 3.13Å; W1133-Q1199 WeakPolarHBondContact O-CB 3.27Å; W1133-Q1199 PolarHBondContact O-N 3.02Å; P1135-Q1199 HydrophobicContact CG-CB 4.05Å; Q1199-H1201 PolarHBondContact NE2-CE1 2.84Å; Q1199-H1201 VanDerWaalsContact NE2-CE1 3.28Å; Q1199-H1201 PolarHBondContact NE2-NE2 3.26Å
1200	C	90.1	Very high	85	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145.8	175.7	-58.2	0	0	0	0	110	S1081 Y1082 C1121 I1124 L1126 V1127	S1081-C1200 CarbonylContact C-O 3.53Å; S1081-C1200 VanDerWaalsContact CA-O 3.27Å; S1081-C1200 WeakPolarHBondContact CA-O 3.38Å; S1081-C1200 VanDerWaalsContact CB-O 3.23Å; S1081-C1200 WeakPolarHBondContact CB-O 3.21Å; Y1082-C1200 PolarHBondContact N-O 3.04Å; Y1082-C1200 PolarHBondContact O-N 3.08Å; C1121-C1200 WeakPolarHBondContact CA-SG 3.38Å; C1121-C1200 HydrophobicContact CB-CB 3.76Å; C1121-C1200 WeakPolarHBondContact CB-SG 3.37Å; C1121-C1200 WeakPolarHBondContact SG-CB 3.37Å; C1121-C1200 CovalentContact SG-SG 2.04Å; C1121-C1200 PolarHBondContact SG-SG 3.11Å; I1124-C1200 HydrophobicContact CD1-CB 4.34Å; L1126-C1200 HydrophobicContact CB-CB 3.61Å; L1126-C1200 HydrophobicContact CD1-CB 3.7Å; L1126-C1200 HydrophobicContact CG-CB 4.32Å; V1127-C1200 CarbonylContact O-C 3.57Å
1201	H	87.7	Confident	86.3	Confident	2.4 Å²	2.4	23 Å²	23	1%	0.011	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	153	-175.1	-64.4	-97.5	0	0	0	111.2	S1081 L1126 V1127 S1132 Q1199 L1261 F1287	S1081-H1201 WeakPolarHBondContact CB-ND1 3.21Å; L1126-H1201 WeakPolarHBondContact CB-O 3.31Å; V1127-H1201 HydrophobicContact CG2-CB 4.2Å; V1127-H1201 WeakPolarHBondContact CG2-O 3.36Å; V1127-H1201 PolarHBondContact N-O 3.15Å; V1127-H1201 PolarHBondContact O-N 3.05Å; S1132-H1201 PolarHBondContact O-NE2 2.98Å; S1132-H1201 PolarHBondContact OG-CE1 2.96Å; S1132-H1201 VanDerWaalsContact OG-CE1 3.3Å; S1132-H1201 PolarHBondContact OG-NE2 2.96Å; Q1199-H1201 PolarHBondContact NE2-CE1 2.84Å; Q1199-H1201 VanDerWaalsContact NE2-CE1 3.28Å; Q1199-H1201 PolarHBondContact NE2-NE2 3.26Å; H1201-L1261 HydrophobicContact CB-CD2 3.89Å; H1201-F1287 AromaticContact CE1-CE2 3.77Å; H1201-F1287 AromaticContact NE2-CE2 3.89Å
1202	R	86	Confident	87.3	Confident	61 Å²	61	17.1 Å²	17.1	23%	0.23	9%	0.091	C	C	.	.			trans	-61.8	135.1	171.4	-172.6	173.8	-139.2	161.2	-0.1	109.9	S1040 W1075 N1080 L1261	S1040-R1202 VanDerWaalsContact CB-NH2 3.28Å; S1040-R1202 PolarHBondContact OG-NH2 2.98Å; W1075-R1202 HydrophobicContact CH2-CB 4.08Å; W1075-R1202 HydrophobicContact CZ2-CB 4.26Å; W1075-R1202 VanDerWaalsContact CZ2-NH1 3.28Å; N1080-R1202 PolarHBondContact O-N 3.16Å; N1080-R1202 VanDerWaalsContact O-N 3.1Å; N1080-R1202 PolarHBondContact OD1-NH1 2.96Å; R1202-L1261 WeakPolarHBondContact O-CD1 3.25Å
1203	P	87.2	Confident	88.2	Confident	6.6 Å²	6.6	13.5 Å²	13.5	4%	0.043	7%	0.072	C	C	.	.			trans	-61.4	148.1	175.4	-12.1	19.3	0	0	0	112.5	L838 L839 H1038 G1125 V1127 L1231	L838-P1203 HydrophobicContact CD2-CB 4.3Å; L838-P1203 HydrophobicContact CD2-CG 3.79Å; L838-P1203 VanDerWaalsContact CD2-CG 3.49Å; L838-P1203 HydrophobicContact CG-CG 3.84Å; L839-P1203 HydrophobicContact CD2-CB 3.52Å; L839-P1203 VanDerWaalsContact CD2-CB 3.46Å; L839-P1203 HydrophobicContact CD2-CG 3.69Å; L839-P1203 HydrophobicContact CG-CG 4.17Å; H1038-P1203 PolarHBondContact CE1-O 3.05Å; H1038-P1203 VanDerWaalsContact CE1-O 3.28Å; H1038-P1203 PolarHBondContact ND1-O 3.11Å; H1038-P1203 VanDerWaalsContact ND1-O 3.16Å; G1125-P1203 WeakPolarHBondContact O-CG 3.46Å; V1127-P1203 HydrophobicContact CG1-CB 4.19Å; V1127-P1203 HydrophobicContact CG1-CG 4.22Å; P1203-L1231 HydrophobicContact CB-CD2 4.27Å
1204	G	89.7	Confident	88.6	Confident	1 Å²	1	11.2 Å²	11.2	1%	0.01	5%	0.053	C	C	.	.			trans	-123.4	-179.1	172.2	0	0	0	0	0	112.1	S1014 G1015 H1228 L1231	S1014-G1204 WeakPolarHBondContact CA-O 3.15Å; G1015-G1204 PolarHBondContact N-O 3.08Å; G1204-H1228 CarbonylContact C-O 3.58Å; G1204-H1228 WeakPolarHBondContact CA-O 3.28Å; G1204-L1231 WeakPolarHBondContact O-CD2 3.33Å
1205	W	94.4	Very high	88.6	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-97.2	172.4	168.5	66.3	-76	0	0	0	110.6	F1012 V1016 F1036 G1207 I1208 I1226 H1227 H1228 A1229 G1230 L1231	F1012-W1205 HydrophobicContact CB-CB 3.46Å; F1012-W1205 VanDerWaalsContact CB-CB 3.46Å; F1012-W1205 HydrophobicContact CB-CD2 3.94Å; F1012-W1205 HydrophobicContact CB-CE3 4.07Å; F1012-W1205 HydrophobicContact CB-CG 3.7Å; F1012-W1205 HydrophobicContact CD1-CD2 4.39Å; F1012-W1205 AromaticContact CD1-CE3 3.68Å; F1012-W1205 HydrophobicContact CD1-CE3 3.68Å; F1012-W1205 HydrophobicContact CD1-CZ3 4.08Å; F1012-W1205 AromaticContact CD2-CD2 3.92Å; F1012-W1205 HydrophobicContact CD2-CD2 3.95Å; F1012-W1205 AromaticContact CD2-CE3 3.84Å; F1012-W1205 HydrophobicContact CD2-CE3 3.84Å; F1012-W1205 HydrophobicContact CD2-CG 4.45Å; F1012-W1205 HydrophobicContact CD2-CH2 4.38Å; F1012-W1205 HydrophobicContact CD2-CZ2 4.44Å; F1012-W1205 HydrophobicContact CD2-CZ3 4.07Å; F1012-W1205 AromaticContact CE1-CE3 3.9Å; F1012-W1205 HydrophobicContact CE1-CE3 4.04Å; F1012-W1205 AromaticContact CE1-CZ3 3.91Å; F1012-W1205 HydrophobicContact CE1-CZ3 3.95Å; F1012-W1205 HydrophobicContact CE2-CE3 4.23Å; F1012-W1205 HydrophobicContact CE2-CH2 4.17Å; F1012-W1205 HydrophobicContact CE2-CZ2 4.44Å; F1012-W1205 AromaticContact CE2-CZ3 3.95Å; F1012-W1205 HydrophobicContact CE2-CZ3 3.98Å; F1012-W1205 HydrophobicContact CG-CB 4.3Å; F1012-W1205 AromaticContact CG-CD2 3.84Å; F1012-W1205 HydrophobicContact CG-CD2 3.84Å; F1012-W1205 AromaticContact CG-CE3 3.58Å; F1012-W1205 HydrophobicContact CG-CE3 3.58Å; F1012-W1205 HydrophobicContact CG-CG 4.17Å; F1012-W1205 HydrophobicContact CG-CZ3 4.15Å; F1012-W1205 HydrophobicContact CZ-CE3 4.32Å; F1012-W1205 HydrophobicContact CZ-CH2 4.33Å; F1012-W1205 AromaticContact CZ-CZ3 3.86Å; F1012-W1205 HydrophobicContact CZ-CZ3 3.92Å; V1016-W1205 WeakPolarHBondContact O-CB 3.35Å; F1036-W1205 HydrophobicContact CB-CH2 3.86Å; F1036-W1205 HydrophobicContact CB-CZ2 3.62Å; F1036-W1205 HydrophobicContact CD1-CH2 4.26Å; F1036-W1205 HydrophobicContact CG-CH2 4.37Å; W1205-G1207 VanDerWaalsContact CZ3-C 3.4Å; W1205-G1207 VanDerWaalsContact CZ3-CA 3.4Å; W1205-G1207 VanDerWaalsContact CZ3-O 3.27Å; W1205-G1207 WeakPolarHBondContact CZ3-O 3.28Å; W1205-G1207 PolarHBondContact O-N 3.19Å; W1205-I1208 HydrophobicContact CH2-CD1 4.15Å; W1205-I1208 HydrophobicContact CH2-CG1 3.66Å; W1205-I1208 HydrophobicContact CZ3-CG1 3.98Å; W1205-I1226 HydrophobicContact CH2-CG2 4.28Å; W1205-I1226 HydrophobicContact CZ2-CG2 3.83Å; W1205-H1227 PolarHBondContact NE1-O 2.83Å; W1205-H1228 PolarHBondContact N-O 3.09Å; W1205-H1228 VanDerWaalsContact N-O 3.13Å; W1205-A1229 HydrophobicContact CD2-CB 4.03Å; W1205-A1229 VanDerWaalsContact CE2-CB 3.47Å; W1205-A1229 HydrophobicContact CG-CB 4.3Å; W1205-A1229 HydrophobicContact CZ2-CB 3.94Å; W1205-A1229 CarbonylContact O-C 3.54Å; W1205-A1229 VanDerWaalsContact O-C 3.28Å; W1205-A1229 VanDerWaalsContact O-CA 3.26Å; W1205-A1229 WeakPolarHBondContact O-CA 3.37Å; W1205-G1230 PolarHBondContact O-N 2.96Å; W1205-L1231 CarbonylContact C-O 3.5Å; W1205-L1231 PolarHBondContact O-N 3.1Å
1206	S	93.3	Very high	88	Confident	1.4 Å²	1.4	10.9 Å²	10.9	1%	0.01	6%	0.06	C	C	.	.			trans	-73.6	-29.4	-169.1	-178.3	0	0	0	0	114.4	V1016 L1231 L1232 M1240	V1016-S1206 WeakPolarHBondContact O-CB 3.49Å; V1016-S1206 PolarHBondContact O-N 3.28Å; S1206-L1231 WeakPolarHBondContact CA-O 3.31Å; S1206-L1231 WeakPolarHBondContact CB-O 3.39Å; S1206-L1231 PolarHBondContact N-O 2.92Å; S1206-L1231 PolarHBondContact OG-O 2.8Å; S1206-L1232 VanDerWaalsContact OG-CD1 3.27Å; S1206-L1232 WeakPolarHBondContact OG-CD1 3.34Å; S1206-M1240 VanDerWaalsContact O-CE 3.23Å; S1206-M1240 WeakPolarHBondContact O-CE 3.2Å; S1206-M1240 WeakPolarHBondContact OG-CE 3.34Å
1207	G	95.6	Very high	87.4	Confident	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.5	-170.1	-172.3	0	0	0	0	0	113.2	G1017 L1018 W1205 S1242	G1017-G1207 WeakPolarHBondContact CA-O 3.31Å; L1018-G1207 PolarHBondContact N-O 3.06Å; W1205-G1207 VanDerWaalsContact CZ3-C 3.4Å; W1205-G1207 VanDerWaalsContact CZ3-CA 3.4Å; W1205-G1207 VanDerWaalsContact CZ3-O 3.27Å; W1205-G1207 WeakPolarHBondContact CZ3-O 3.28Å; W1205-G1207 PolarHBondContact O-N 3.19Å; G1207-S1242 CarbonylContact C-O 3.46Å; G1207-S1242 VanDerWaalsContact CA-O 3.26Å; G1207-S1242 WeakPolarHBondContact CA-O 3.29Å
1208	I	96.2	Very high	86.8	Confident	0.2 Å²	0.2	18 Å²	18	0%	0.001	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.6	-176.1	-56.1	177.3	0	0	0	109.1	L1018 L1024 F1036 W1205 I1210 I1226 S1242 L1243 Q1244	L1018-I1208 HydrophobicContact CB-CG1 4.2Å; L1018-I1208 HydrophobicContact CB-CG2 4.43Å; L1018-I1208 HydrophobicContact CD2-CG2 4.06Å; L1018-I1208 CarbonylContact O-C 3.55Å; L1018-I1208 WeakPolarHBondContact O-CA 3.33Å; L1024-I1208 HydrophobicContact CD2-CG2 4.23Å; F1036-I1208 HydrophobicContact CD1-CD1 3.98Å; F1036-I1208 HydrophobicContact CD2-CD1 4.32Å; F1036-I1208 HydrophobicContact CE1-CD1 3.96Å; F1036-I1208 HydrophobicContact CE2-CD1 4.27Å; F1036-I1208 HydrophobicContact CG-CD1 4.19Å; F1036-I1208 HydrophobicContact CZ-CD1 4.1Å; W1205-I1208 HydrophobicContact CH2-CD1 4.15Å; W1205-I1208 HydrophobicContact CH2-CG1 3.66Å; W1205-I1208 HydrophobicContact CZ3-CG1 3.98Å; I1208-I1210 HydrophobicContact CG2-CD1 4.34Å; I1208-I1210 HydrophobicContact CG2-CG1 4.27Å; I1208-I1226 HydrophobicContact CD1-CD1 4.02Å; I1208-S1242 PolarHBondContact N-O 3.2Å; I1208-L1243 HydrophobicContact CB-CD1 3.81Å; I1208-L1243 HydrophobicContact CG2-CD1 3.83Å; I1208-L1243 CarbonylContact O-C 3.5Å; I1208-L1243 WeakPolarHBondContact O-CA 3.24Å; I1208-Q1244 PolarHBondContact O-N 3Å
1209	R	94	Very high	86.5	Confident	23.4 Å²	23.4	18.6 Å²	18.6	9%	0.088	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124	171.2	-177.8	170.8	175	-161.7	-6.1	111	L1018 F1019 S1020 T1211 M1240 Q1244 D1246 A1327	L1018-R1209 PolarHBondContact O-N 3.34Å; F1019-R1209 WeakPolarHBondContact CA-O 3.38Å; F1019-R1209 HydrophobicContact CD2-CB 4.13Å; F1019-R1209 HydrophobicContact CD2-CG 4.2Å; F1019-R1209 HydrophobicContact CE2-CG 4.33Å; S1020-R1209 PolarHBondContact N-O 3.14Å; R1209-T1211 HydrophobicContact CG-CG2 4.48Å; R1209-M1240 HydrophobicContact CB-CE 3.94Å; R1209-M1240 HydrophobicContact CB-SD 4.36Å; R1209-Q1244 WeakPolarHBondContact CA-O 3.27Å; R1209-Q1244 HydrophobicContact CB-CB 4.37Å; R1209-Q1244 HydrophobicContact CG-CB 4.21Å; R1209-Q1244 HydrophobicContact CG-CG 4.31Å; R1209-Q1244 VanDerWaalsContact NE-NE2 3.2Å; R1209-D1246 IonicContact CZ-OD1 3.13Å; R1209-D1246 IonicContact CZ-OD2 3.06Å; R1209-D1246 VanDerWaalsContact CZ-OD2 3.28Å; R1209-D1246 IonicContact NE-OD1 3.12Å; R1209-D1246 PolarHBondContact NE-OD1 3.01Å; R1209-D1246 IonicContact NE-OD2 3.2Å; R1209-D1246 PolarHBondContact NE-OD2 3.25Å; R1209-D1246 IonicContact NH2-OD1 3.05Å; R1209-D1246 IonicContact NH2-OD2 3.04Å; R1209-D1246 PolarHBondContact NH2-OD2 3.14Å; R1209-A1327 PolarHBondContact NH1-O 2.97Å; R1209-A1327 PolarHBondContact NH2-O 3.09Å
1210	I	93.2	Very high	86.4	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.6	174.2	-56.6	177	0	0	0	107.3	L1024 I1208 D1214 G1216 T1219 I1221 L1243 Q1244 L1245 D1246	L1024-I1210 HydrophobicContact CD2-CD1 4.09Å; L1024-I1210 HydrophobicContact CD2-CG1 4.3Å; I1208-I1210 HydrophobicContact CG2-CD1 4.34Å; I1208-I1210 HydrophobicContact CG2-CG1 4.27Å; I1210-D1214 HydrophobicContact CG2-CB 3.95Å; I1210-G1216 WeakPolarHBondContact CG2-O 3.41Å; I1210-T1219 HydrophobicContact CD1-CG2 3.54Å; I1210-T1219 VanDerWaalsContact CD1-CG2 3.5Å; I1210-T1219 HydrophobicContact CG2-CG2 4.37Å; I1210-I1221 HydrophobicContact CD1-CD1 4.18Å; I1210-L1243 HydrophobicContact CD1-CD1 4.42Å; I1210-Q1244 PolarHBondContact N-O 2.96Å; I1210-L1245 HydrophobicContact CB-CD2 3.93Å; I1210-L1245 HydrophobicContact CD1-CD2 3.7Å; I1210-L1245 HydrophobicContact CG1-CD2 4.07Å; I1210-D1246 WeakPolarHBondContact O-CB 3.25Å; I1210-D1246 PolarHBondContact O-N 3.06Å
1211	T	90.1	Very high	86.6	Confident	0.2 Å²	0.2	21.4 Å²	21.4	0%	0.001	11%	0.106	C	C	.	.			trans	-82.8	169.9	-175.3	68.4	0	0	0	0	112.6	F1019 S1020 Q1021 R1209 S1213 D1214 D1246 G1331	F1019-T1211 HydrophobicContact CD2-CG2 4.07Å; F1019-T1211 HydrophobicContact CE1-CG2 4.19Å; F1019-T1211 HydrophobicContact CE2-CG2 3.22Å; F1019-T1211 HydrophobicContact CZ-CG2 3.3Å; S1020-T1211 PolarHBondContact O-N 2.92Å; S1020-T1211 PolarHBondContact O-OG1 2.85Å; Q1021-T1211 WeakPolarHBondContact CA-OG1 3.49Å; Q1021-T1211 HydrophobicContact CG-CG2 4.33Å; Q1021-T1211 WeakPolarHBondContact CG-OG1 3.39Å; R1209-T1211 HydrophobicContact CG-CG2 4.48Å; T1211-S1213 PolarHBondContact O-N 3.28Å; T1211-S1213 PolarHBondContact O-OG 3.1Å; T1211-D1214 WeakPolarHBondContact O-CB 3.42Å; T1211-D1214 PolarHBondContact O-N 3.12Å; T1211-D1214 VanDerWaalsContact O-N 3.13Å; T1211-D1246 CarbonylContact C-O 3.49Å; T1211-D1246 WeakPolarHBondContact CA-OD2 3.36Å; T1211-G1331 VanDerWaalsContact CB-O 3.26Å; T1211-G1331 WeakPolarHBondContact CB-O 3.34Å; T1211-G1331 WeakPolarHBondContact CG2-O 3.27Å; T1211-G1331 PolarHBondContact OG1-O 3.31Å
1212	A	87.9	Confident	87	Confident	1.6 Å²	1.6	22.3 Å²	22.3	1%	0.013	11%	0.113	C	C	.	.	S	Bend	trans	-65.2	81.6	171.9	0	0	0	0	0	111.1	D1214 D1246 F1328 I1332 V1333 F1376	A1212-D1214 PolarHBondContact O-N 2.77Å; A1212-D1246 VanDerWaalsContact CA-O 3.27Å; A1212-D1246 WeakPolarHBondContact CA-O 2.95Å; A1212-D1246 HydrophobicContact CB-CB 4.37Å; A1212-D1246 PolarHBondContact N-O 2.81Å; A1212-F1328 HydrophobicContact CB-CE1 4.5Å; A1212-F1328 HydrophobicContact CB-CE2 4.05Å; A1212-F1328 HydrophobicContact CB-CZ 3.97Å; A1212-I1332 HydrophobicContact CB-CB 4.35Å; A1212-I1332 HydrophobicContact CB-CD1 4.07Å; A1212-I1332 HydrophobicContact CB-CG1 3.99Å; A1212-I1332 WeakPolarHBondContact O-CA 3.26Å; A1212-I1332 WeakPolarHBondContact O-CG1 3.43Å; A1212-V1333 PolarHBondContact O-N 3.1Å; A1212-F1376 HydrophobicContact CB-CD1 4.41Å; A1212-F1376 HydrophobicContact CB-CD2 4.39Å; A1212-F1376 HydrophobicContact CB-CE1 3.97Å; A1212-F1376 HydrophobicContact CB-CE2 4.21Å; A1212-F1376 HydrophobicContact CB-CZ 3.94Å
1213	S	84.1	Confident	87.6	Confident	9.2 Å²	9.2	21.1 Å²	21.1	6%	0.064	11%	0.11	C	C	.	.			trans	-119.4	153.4	176.7	22.4	0	0	0	0	111.1	Q1021 G1022 T1211 S1215 G1216 S1217 G1331 I1332 V1333	Q1021-S1213 VanDerWaalsContact O-CA 3.31Å; Q1021-S1213 WeakPolarHBondContact O-CA 3.28Å; Q1021-S1213 WeakPolarHBondContact O-CB 3.39Å; Q1021-S1213 PolarHBondContact O-OG 3.13Å; G1022-S1213 WeakPolarHBondContact O-CB 3.39Å; G1022-S1213 PolarHBondContact O-OG 3.35Å; T1211-S1213 PolarHBondContact O-N 3.28Å; T1211-S1213 PolarHBondContact O-OG 3.1Å; S1213-S1215 VanDerWaalsContact C-N 3.29Å; S1213-S1215 PolarHBondContact O-N 2.94Å; S1213-S1215 PolarHBondContact OG-OG 3.31Å; S1213-G1216 PolarHBondContact O-N 3.07Å; S1213-G1216 VanDerWaalsContact OG-CA 3.29Å; S1213-G1216 WeakPolarHBondContact OG-CA 3.39Å; S1213-G1216 PolarHBondContact OG-N 3.02Å; S1213-S1217 WeakPolarHBondContact O-CB 3.33Å; S1213-S1217 PolarHBondContact O-N 3.01Å; S1213-S1217 PolarHBondContact O-OG 2.97Å; S1213-G1331 VanDerWaalsContact CB-O 3.26Å; S1213-G1331 WeakPolarHBondContact CB-O 3.31Å; S1213-G1331 PolarHBondContact N-O 2.77Å; S1213-G1331 VanDerWaalsContact OG-C 3.27Å; S1213-G1331 PolarHBondContact OG-O 3.43Å; S1213-I1332 WeakPolarHBondContact OG-CA 3.26Å; S1213-I1332 PolarHBondContact OG-N 3.01Å; S1213-V1333 WeakPolarHBondContact OG-CB 3.38Å; S1213-V1333 VanDerWaalsContact OG-CG2 3.28Å; S1213-V1333 WeakPolarHBondContact OG-CG2 3.44Å; S1213-V1333 PolarHBondContact OG-N 2.87Å
1214	D	76.3	Confident	88.1	Confident	35.8 Å²	35.8	20.8 Å²	20.8	19%	0.191	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.6	-179.7	170.3	15.3	0	0	0	111.5	Q1021 I1210 T1211 A1212 G1216 S1217 R1218 V1333 G1373 I1374	Q1021-D1214 PolarHBondContact O-N 3.06Å; I1210-D1214 HydrophobicContact CG2-CB 3.95Å; T1211-D1214 WeakPolarHBondContact O-CB 3.42Å; T1211-D1214 PolarHBondContact O-N 3.12Å; T1211-D1214 VanDerWaalsContact O-N 3.13Å; A1212-D1214 PolarHBondContact O-N 2.77Å; D1214-G1216 VanDerWaalsContact CG-C 3.5Å; D1214-G1216 PolarHBondContact O-N 3.13Å; D1214-G1216 VanDerWaalsContact O-N 3.14Å; D1214-G1216 WeakPolarHBondContact OD1-CA 3.2Å; D1214-G1216 PolarHBondContact OD1-N 2.77Å; D1214-S1217 VanDerWaalsContact CG-N 3.32Å; D1214-S1217 WeakPolarHBondContact O-CB 3.22Å; D1214-S1217 PolarHBondContact O-N 2.98Å; D1214-S1217 PolarHBondContact O-OG 2.97Å; D1214-S1217 WeakPolarHBondContact OD1-CB 3.22Å; D1214-S1217 PolarHBondContact OD1-N 3.38Å; D1214-S1217 PolarHBondContact OD1-OG 2.98Å; D1214-R1218 WeakPolarHBondContact O-CG 3.42Å; D1214-R1218 PolarHBondContact O-NE 3.28Å; D1214-R1218 PolarHBondContact O-NH2 2.95Å; D1214-R1218 VanDerWaalsContact O-NH2 3.09Å; D1214-R1218 IonicContact OD1-CZ 2.73Å; D1214-R1218 IonicContact OD1-NE 3.06Å; D1214-R1218 PolarHBondContact OD1-NE 3.08Å; D1214-R1218 IonicContact OD1-NH2 3.03Å; D1214-R1218 PolarHBondContact OD1-NH2 3.4Å; D1214-R1218 IonicContact OD2-CZ 3.02Å; D1214-R1218 IonicContact OD2-NH2 3.35Å; D1214-R1218 PolarHBondContact OD2-NH2 2.87Å; D1214-V1333 HydrophobicContact CB-CG1 4.38Å; D1214-G1373 VanDerWaalsContact OD1-CA 3.3Å; D1214-G1373 WeakPolarHBondContact OD1-CA 3.43Å; D1214-I1374 PolarHBondContact OD1-N 3.13Å
1215	S	72.6	Confident	88.4	Confident	55.4 Å²	55.4	23.4 Å²	23.4	39%	0.387	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-35	176.6	50.1	0	0	0	0	113.3	Q1021 G1022 S1213 S1217 R1218 I1374	Q1021-S1215 PolarHBondContact O-OG 3.01Å; G1022-S1215 VanDerWaalsContact C-OG 3.3Å; G1022-S1215 PolarHBondContact O-OG 3.23Å; S1213-S1215 VanDerWaalsContact C-N 3.29Å; S1213-S1215 PolarHBondContact O-N 2.94Å; S1213-S1215 PolarHBondContact OG-OG 3.31Å; S1215-S1217 VanDerWaalsContact C-N 3.32Å; S1215-S1217 PolarHBondContact O-N 2.91Å; S1215-R1218 PolarHBondContact O-N 3.05Å; S1215-I1374 WeakPolarHBondContact CB-O 3.4Å
1216	G	71	Confident	88.6	Confident	11.2 Å²	11.2	23.5 Å²	23.5	12%	0.115	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-24.5	177.3	0	0	0	0	0	113.7	I1210 S1213 D1214 R1218 T1219	I1210-G1216 WeakPolarHBondContact CG2-O 3.41Å; S1213-G1216 PolarHBondContact O-N 3.07Å; S1213-G1216 VanDerWaalsContact OG-CA 3.29Å; S1213-G1216 WeakPolarHBondContact OG-CA 3.39Å; S1213-G1216 PolarHBondContact OG-N 3.02Å; D1214-G1216 VanDerWaalsContact CG-C 3.5Å; D1214-G1216 PolarHBondContact O-N 3.13Å; D1214-G1216 VanDerWaalsContact O-N 3.14Å; D1214-G1216 WeakPolarHBondContact OD1-CA 3.2Å; D1214-G1216 PolarHBondContact OD1-N 2.77Å; G1216-R1218 PolarHBondContact O-N 2.94Å; G1216-R1218 VanDerWaalsContact O-N 3.1Å; G1216-T1219 VanDerWaalsContact O-CB 3.27Å; G1216-T1219 WeakPolarHBondContact O-CB 3.38Å; G1216-T1219 VanDerWaalsContact O-CG2 3.31Å; G1216-T1219 WeakPolarHBondContact O-CG2 3.15Å; G1216-T1219 PolarHBondContact O-N 2.96Å; G1216-T1219 VanDerWaalsContact O-N 3.13Å; G1216-T1219 PolarHBondContact O-OG1 3.1Å
1217	S	74.6	Confident	88.7	Confident	6.8 Å²	6.8	24.7 Å²	24.7	5%	0.048	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-65.2	0	177.6	27.9	0	0	0	0	113.9	E1023 S1213 D1214 S1215 Y1247 F1248 S1249 I1374	E1023-S1217 PolarHBondContact N-OG 2.89Å; S1213-S1217 WeakPolarHBondContact O-CB 3.33Å; S1213-S1217 PolarHBondContact O-N 3.01Å; S1213-S1217 PolarHBondContact O-OG 2.97Å; D1214-S1217 VanDerWaalsContact CG-N 3.32Å; D1214-S1217 WeakPolarHBondContact O-CB 3.22Å; D1214-S1217 PolarHBondContact O-N 2.98Å; D1214-S1217 PolarHBondContact O-OG 2.97Å; D1214-S1217 WeakPolarHBondContact OD1-CB 3.22Å; D1214-S1217 PolarHBondContact OD1-N 3.38Å; D1214-S1217 PolarHBondContact OD1-OG 2.98Å; S1215-S1217 VanDerWaalsContact C-N 3.32Å; S1215-S1217 PolarHBondContact O-N 2.91Å; S1217-Y1247 VanDerWaalsContact CA-O 3.29Å; S1217-Y1247 WeakPolarHBondContact CA-O 3.29Å; S1217-Y1247 WeakPolarHBondContact CB-O 3.27Å; S1217-Y1247 WeakPolarHBondContact OG-CD1 2.9Å; S1217-Y1247 PolarHBondContact OG-O 2.83Å; S1217-F1248 WeakPolarHBondContact O-CD2 3.39Å; S1217-F1248 VanDerWaalsContact O-CE2 3.26Å; S1217-F1248 WeakPolarHBondContact O-CE2 3.44Å; S1217-F1248 WeakPolarHBondContact O-CG 2.96Å; S1217-S1249 PolarHBondContact O-N 2.93Å; S1217-S1249 PolarHBondContact O-OG 2.86Å; S1217-I1374 WeakPolarHBondContact OG-CD1 3.49Å
1218	R	77.4	Confident	88.6	Confident	143.4 Å²	143.4	26.2 Å²	26.2	54%	0.541	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	24.7	178.3	-60.5	179.3	-154.9	179.2	-0.2	112.6	E1023 D1214 S1215 G1216 I1220 S1249 I1374	E1023-R1218 WeakPolarHBondContact CG-O 3.2Å; D1214-R1218 WeakPolarHBondContact O-CG 3.42Å; D1214-R1218 PolarHBondContact O-NE 3.28Å; D1214-R1218 PolarHBondContact O-NH2 2.95Å; D1214-R1218 VanDerWaalsContact O-NH2 3.09Å; D1214-R1218 IonicContact OD1-CZ 2.73Å; D1214-R1218 IonicContact OD1-NE 3.06Å; D1214-R1218 PolarHBondContact OD1-NE 3.08Å; D1214-R1218 IonicContact OD1-NH2 3.03Å; D1214-R1218 PolarHBondContact OD1-NH2 3.4Å; D1214-R1218 IonicContact OD2-CZ 3.02Å; D1214-R1218 IonicContact OD2-NH2 3.35Å; D1214-R1218 PolarHBondContact OD2-NH2 2.87Å; S1215-R1218 PolarHBondContact O-N 3.05Å; G1216-R1218 PolarHBondContact O-N 2.94Å; G1216-R1218 VanDerWaalsContact O-N 3.1Å; R1218-I1220 PolarHBondContact O-N 3.06Å; R1218-S1249 WeakPolarHBondContact CA-O 3.18Å; R1218-I1374 VanDerWaalsContact NH2-CG1 3.33Å
1219	T	84.6	Confident	88.5	Confident	12 Å²	12	26.2 Å²	26.2	7%	0.074	13%	0.132	C	C	.	.			trans	-66.1	135.9	177.1	-25.2	0	0	0	0	110.7	E1023 L1024 I1210 G1216 I1221 F1248	E1023-T1219 HydrophobicContact CG-CG2 4.42Å; L1024-T1219 HydrophobicContact CB-CG2 4.24Å; L1024-T1219 HydrophobicContact CG-CG2 4.38Å; L1024-T1219 VanDerWaalsContact O-CA 3.22Å; L1024-T1219 WeakPolarHBondContact O-CA 3.21Å; L1024-T1219 WeakPolarHBondContact O-CB 3.39Å; L1024-T1219 WeakPolarHBondContact O-CG2 3.22Å; L1024-T1219 PolarHBondContact O-OG1 3.4Å; I1210-T1219 HydrophobicContact CD1-CG2 3.54Å; I1210-T1219 VanDerWaalsContact CD1-CG2 3.5Å; I1210-T1219 HydrophobicContact CG2-CG2 4.37Å; G1216-T1219 VanDerWaalsContact O-CB 3.27Å; G1216-T1219 WeakPolarHBondContact O-CB 3.38Å; G1216-T1219 VanDerWaalsContact O-CG2 3.31Å; G1216-T1219 WeakPolarHBondContact O-CG2 3.15Å; G1216-T1219 PolarHBondContact O-N 2.96Å; G1216-T1219 VanDerWaalsContact O-N 3.13Å; G1216-T1219 PolarHBondContact O-OG1 3.1Å; T1219-I1221 HydrophobicContact CG2-CD1 4.3Å; T1219-I1221 HydrophobicContact CG2-CG1 3.92Å; T1219-I1221 PolarHBondContact O-N 3.01Å; T1219-F1248 HydrophobicContact CG2-CD2 4.4Å; T1219-F1248 HydrophobicContact CG2-CE2 3.84Å; T1219-F1248 VanDerWaalsContact O-CE2 3.25Å; T1219-F1248 WeakPolarHBondContact O-CE2 3.32Å; T1219-F1248 WeakPolarHBondContact O-CZ 3.29Å; T1219-F1248 WeakPolarHBondContact OG1-CE2 3.4Å
1220	I	88.1	Confident	88.5	Confident	72.8 Å²	72.8	25.1 Å²	25.1	37%	0.373	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.1	177.7	-60.1	170.5	0	0	0	108.2	L1024 K1025 L1026 E1027 R1218 T1251	L1024-I1220 PolarHBondContact O-N 3.21Å; K1025-I1220 HydrophobicContact CD-CD1 4.44Å; K1025-I1220 HydrophobicContact CG-CB 4.47Å; L1026-I1220 CarbonylContact C-O 3.53Å; L1026-I1220 WeakPolarHBondContact CA-O 3.36Å; L1026-I1220 WeakPolarHBondContact CB-O 3.39Å; L1026-I1220 PolarHBondContact N-O 2.95Å; L1026-I1220 VanDerWaalsContact O-O 3.09Å; E1027-I1220 HydrophobicContact CG-CB 4.32Å; E1027-I1220 HydrophobicContact CG-CG2 3.71Å; E1027-I1220 VanDerWaalsContact OE1-CD1 3.27Å; E1027-I1220 WeakPolarHBondContact OE1-CD1 3.31Å; R1218-I1220 PolarHBondContact O-N 3.06Å; I1220-T1251 WeakPolarHBondContact CA-O 3.36Å; I1220-T1251 WeakPolarHBondContact CG2-O 3.38Å
1221	I	94.2	Very high	88.4	Confident	2.4 Å²	2.4	25 Å²	25	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	106.4	175.4	-54	177.9	0	0	0	108.2	L1026 I1210 T1219 V1224 L1243 L1245 F1248 T1251 I1252 N1253 L1255	L1026-I1221 HydrophobicContact CD1-CG1 4.49Å; L1026-I1221 WeakPolarHBondContact O-CA 3.33Å; I1210-I1221 HydrophobicContact CD1-CD1 4.18Å; T1219-I1221 HydrophobicContact CG2-CD1 4.3Å; T1219-I1221 HydrophobicContact CG2-CG1 3.92Å; T1219-I1221 PolarHBondContact O-N 3.01Å; I1221-V1224 HydrophobicContact CG2-CB 4.33Å; I1221-V1224 HydrophobicContact CG2-CG2 3.96Å; I1221-L1243 HydrophobicContact CD1-CD2 4.19Å; I1221-L1245 HydrophobicContact CD1-CD2 4.37Å; I1221-F1248 HydrophobicContact CD1-CE2 4.23Å; I1221-F1248 HydrophobicContact CD1-CZ 4.35Å; I1221-F1248 HydrophobicContact CG1-CE2 4.46Å; I1221-F1248 HydrophobicContact CG1-CZ 4.27Å; I1221-T1251 PolarHBondContact N-O 2.88Å; I1221-I1252 HydrophobicContact CB-CG1 4.31Å; I1221-I1252 HydrophobicContact CB-CG2 4.29Å; I1221-I1252 HydrophobicContact CD1-CD1 4.3Å; I1221-I1252 HydrophobicContact CD1-CG1 4.45Å; I1221-I1252 HydrophobicContact CG2-CG2 4.09Å; I1221-I1252 CarbonylContact O-C 3.53Å; I1221-I1252 WeakPolarHBondContact O-CA 3.28Å; I1221-N1253 PolarHBondContact O-N 3.18Å; I1221-N1253 VanDerWaalsContact O-N 3.17Å; I1221-L1255 HydrophobicContact CG2-CD1 4.43Å
1222	S	96	Very high	88.5	Confident	21.6 Å²	21.6	26.5 Å²	26.5	15%	0.151	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.8	-179.7	109	0	0	0	0	112.4	L1026 G1028 N1253	L1026-S1222 PolarHBondContact O-N 3.15Å; G1028-S1222 PolarHBondContact N-O 3.23Å; S1222-N1253 CarbonylContact C-O 3.55Å; S1222-N1253 VanDerWaalsContact CA-O 3.28Å; S1222-N1253 WeakPolarHBondContact CA-O 3.41Å
1223	H	97.8	Very high	88.5	Confident	35.4 Å²	35.4	26.8 Å²	26.8	16%	0.164	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54	57.1	179.5	-51	90.7	0	0	0	113.1	G1028 T1029 L1030 P1033 I1034 N1253 N1254	G1028-H1223 PolarHBondContact O-ND1 3.05Å; T1029-H1223 VanDerWaalsContact C-CG 3.49Å; L1030-H1223 VanDerWaalsContact CA-CD2 3.48Å; L1030-H1223 WeakPolarHBondContact CA-CD2 3.47Å; L1030-H1223 PolarHBondContact N-CD2 3.14Å; L1030-H1223 VanDerWaalsContact N-CD2 3.28Å; P1033-H1223 VanDerWaalsContact CA-O 3.27Å; P1033-H1223 WeakPolarHBondContact CA-O 3.41Å; P1033-H1223 VanDerWaalsContact CB-O 3.26Å; P1033-H1223 WeakPolarHBondContact CB-O 3.3Å; I1034-H1223 PolarHBondContact N-O 3.05Å; I1034-H1223 VanDerWaalsContact N-O 3.09Å; H1223-N1253 PolarHBondContact N-O 2.93Å; H1223-N1254 VanDerWaalsContact CA-O 3.29Å; H1223-N1254 WeakPolarHBondContact CA-O 3.41Å; H1223-N1254 PolarHBondContact CD2-ND2 3.21Å; H1223-N1254 VanDerWaalsContact CD2-ND2 3.28Å; H1223-N1254 PolarHBondContact NE2-ND2 2.83Å
1224	V	97.7	Very high	88.6	Confident	0.6 Å²	0.6	28.2 Å²	28.2	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.3	-177.8	178.9	0	0	0	0	110	L1026 I1034 F1036 I1221 I1226 N1254 L1255 K1256	L1026-V1224 HydrophobicContact CB-CG2 3.77Å; L1026-V1224 HydrophobicContact CD1-CG2 4.28Å; I1034-V1224 HydrophobicContact CB-CG2 4.48Å; F1036-V1224 HydrophobicContact CD2-CG1 3.78Å; F1036-V1224 HydrophobicContact CE2-CG1 3.66Å; I1221-V1224 HydrophobicContact CG2-CB 4.33Å; I1221-V1224 HydrophobicContact CG2-CG2 3.96Å; V1224-I1226 HydrophobicContact CG1-CD1 4.41Å; V1224-I1226 HydrophobicContact CG1-CG1 4.05Å; V1224-N1254 PolarHBondContact N-O 3.12Å; V1224-L1255 HydrophobicContact CB-CD1 4.06Å; V1224-L1255 HydrophobicContact CG1-CD1 4.22Å; V1224-L1255 CarbonylContact O-C 3.57Å; V1224-L1255 WeakPolarHBondContact O-CA 3.38Å; V1224-K1256 PolarHBondContact O-N 2.89Å
1225	Q	97.7	Very high	88.9	Confident	55.6 Å²	55.6	28.3 Å²	28.3	26%	0.26	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.1	175.7	-56.8	-175.5	-16.2	0	0	109.5	P1033 I1034 I1035 F1036 K1256	P1033-Q1225 HydrophobicContact CB-CG 4.12Å; P1033-Q1225 HydrophobicContact CG-CG 4.45Å; I1034-Q1225 PolarHBondContact O-N 2.83Å; I1035-Q1225 HydrophobicContact CG1-CB 4.43Å; F1036-Q1225 PolarHBondContact N-O 3.12Å; Q1225-K1256 CarbonylContact C-O 3.51Å; Q1225-K1256 WeakPolarHBondContact CA-O 3.38Å; Q1225-K1256 HydrophobicContact CG-CB 4.22Å
1226	I	97.6	Very high	89.3	Confident	1.2 Å²	1.2	31.1 Å²	31.1	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121	-179.5	-60.1	175.6	0	0	0	108	F1036 W1205 I1208 V1224 A1229 L1243 L1255 K1256 I1257 T1258	F1036-I1226 HydrophobicContact CB-CG1 4.4Å; F1036-I1226 HydrophobicContact CD2-CG1 4.27Å; F1036-I1226 WeakPolarHBondContact O-CA 3.35Å; W1205-I1226 HydrophobicContact CH2-CG2 4.28Å; W1205-I1226 HydrophobicContact CZ2-CG2 3.83Å; I1208-I1226 HydrophobicContact CD1-CD1 4.02Å; V1224-I1226 HydrophobicContact CG1-CD1 4.41Å; V1224-I1226 HydrophobicContact CG1-CG1 4.05Å; I1226-A1229 HydrophobicContact CG2-CB 4.26Å; I1226-L1243 HydrophobicContact CD1-CB 4.09Å; I1226-L1243 HydrophobicContact CD1-CD2 4.43Å; I1226-L1255 HydrophobicContact CD1-CD1 4.2Å; I1226-L1255 HydrophobicContact CG1-CD1 4.39Å; I1226-K1256 PolarHBondContact N-O 3.11Å; I1226-I1257 HydrophobicContact CB-CG1 4.27Å; I1226-I1257 HydrophobicContact CD1-CD1 4.44Å; I1226-I1257 HydrophobicContact CD1-CG1 4.46Å; I1226-I1257 HydrophobicContact CG2-CG2 4.5Å; I1226-I1257 CarbonylContact O-C 3.55Å; I1226-I1257 VanDerWaalsContact O-CA 3.3Å; I1226-I1257 WeakPolarHBondContact O-CA 3.42Å; I1226-T1258 PolarHBondContact O-N 3.07Å
1227	H	95.8	Very high	90	Very high	26.2 Å²	26.2	31.8 Å²	31.8	12%	0.121	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.8	-175.6	-58.2	-58	0	0	0	111.1	F1036 D1037 W1205 A1229 T1258	F1036-H1227 PolarHBondContact O-N 2.91Å; D1037-H1227 HydrophobicContact CB-CB 4.24Å; D1037-H1227 VanDerWaalsContact OD1-CB 3.3Å; D1037-H1227 WeakPolarHBondContact OD1-CB 3.35Å; W1205-H1227 PolarHBondContact NE1-O 2.83Å; H1227-A1229 VanDerWaalsContact C-N 3.27Å; H1227-A1229 PolarHBondContact O-N 3Å; H1227-A1229 VanDerWaalsContact O-N 3.15Å; H1227-T1258 WeakPolarHBondContact CA-O 3.25Å; H1227-T1258 PolarHBondContact CE1-OG1 3.39Å; H1227-T1258 PolarHBondContact ND1-OG1 3.31Å
1228	H	93.4	Very high	90.7	Very high	32.8 Å²	32.8	35.1 Å²	35.1	15%	0.152	16%	0.161	C	C	.	.	S	Bend	trans	54	35.2	170.2	-51.5	104.6	0	0	0	115.4	D1037 H1038 Q1041 G1204 W1205 T1258 N1259	D1037-H1228 IonicContact OD1-CE1 3.54Å; D1037-H1228 IonicContact OD1-CG 3.08Å; D1037-H1228 IonicContact OD1-ND1 3.54Å; D1037-H1228 PolarHBondContact OD1-ND1 3.08Å; D1037-H1228 IonicContact OD2-ND1 3.9Å; H1038-H1228 HydrophobicContact CB-CB 3.73Å; Q1041-H1228 PolarHBondContact NE2-CD2 3.13Å; Q1041-H1228 PolarHBondContact NE2-CE1 2.67Å; Q1041-H1228 PolarHBondContact NE2-ND1 3.13Å; Q1041-H1228 PolarHBondContact NE2-NE2 3.06Å; Q1041-H1228 VanDerWaalsContact NE2-NE2 3.17Å; G1204-H1228 CarbonylContact C-O 3.58Å; G1204-H1228 WeakPolarHBondContact CA-O 3.28Å; W1205-H1228 PolarHBondContact N-O 3.09Å; W1205-H1228 VanDerWaalsContact N-O 3.13Å; H1228-T1258 PolarHBondContact N-O 3.23Å; H1228-T1258 VanDerWaalsContact N-O 3.15Å; H1228-N1259 WeakPolarHBondContact CA-O 3.15Å; H1228-N1259 VanDerWaalsContact CD2-CB 3.47Å; H1228-N1259 WeakPolarHBondContact CD2-CB 3.38Å; H1228-N1259 PolarHBondContact NE2-ND2 3.18Å; H1228-N1259 VanDerWaalsContact NE2-ND2 3.15Å
1229	A	94.7	Very high	91.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-89.8	-174	172	0	0	0	0	0	111	W1205 I1226 H1227 S1242 S1260 L1261	W1205-A1229 HydrophobicContact CD2-CB 4.03Å; W1205-A1229 VanDerWaalsContact CE2-CB 3.47Å; W1205-A1229 HydrophobicContact CG-CB 4.3Å; W1205-A1229 HydrophobicContact CZ2-CB 3.94Å; W1205-A1229 CarbonylContact O-C 3.54Å; W1205-A1229 VanDerWaalsContact O-C 3.28Å; W1205-A1229 VanDerWaalsContact O-CA 3.26Å; W1205-A1229 WeakPolarHBondContact O-CA 3.37Å; I1226-A1229 HydrophobicContact CG2-CB 4.26Å; H1227-A1229 VanDerWaalsContact C-N 3.27Å; H1227-A1229 PolarHBondContact O-N 3Å; H1227-A1229 VanDerWaalsContact O-N 3.15Å; A1229-S1242 VanDerWaalsContact CB-OG 3.32Å; A1229-S1242 WeakPolarHBondContact CB-OG 3.27Å; A1229-S1260 CarbonylContact O-C 3.56Å; A1229-S1260 VanDerWaalsContact O-CA 3.3Å; A1229-S1260 WeakPolarHBondContact O-CA 3.31Å; A1229-L1261 PolarHBondContact O-N 3.04Å
1230	G	93.2	Very high	91.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.			trans	118.2	-11.2	171.2	0	0	0	0	0	115.8	W1205 Y1239 M1240	W1205-G1230 PolarHBondContact O-N 2.96Å; G1230-Y1239 WeakPolarHBondContact O-CA 3.32Å; G1230-Y1239 WeakPolarHBondContact O-CB 3.33Å; G1230-Y1239 VanDerWaalsContact O-CD1 3.25Å; G1230-Y1239 WeakPolarHBondContact O-CD1 3.32Å; G1230-M1240 CarbonylContact C-O 3.47Å; G1230-M1240 VanDerWaalsContact C-O 3.3Å; G1230-M1240 WeakPolarHBondContact CA-O 3.32Å; G1230-M1240 PolarHBondContact O-N 3.14Å; G1230-M1240 VanDerWaalsContact O-N 3.11Å
1231	L	92.2	Very high	92	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	105.6	-173.2	179.4	67.5	0	0	0	111.1	L839 G1015 V1127 P1203 G1204 W1205 S1206 Y1239 L1261	L839-L1231 HydrophobicContact CD2-CD2 4.03Å; G1015-L1231 WeakPolarHBondContact CA-O 3.36Å; V1127-L1231 HydrophobicContact CB-CD1 4.47Å; V1127-L1231 HydrophobicContact CG1-CD1 4.38Å; V1127-L1231 HydrophobicContact CG1-CD2 3.8Å; V1127-L1231 HydrophobicContact CG2-CD1 4.49Å; V1127-L1231 HydrophobicContact CG2-CD2 4.44Å; P1203-L1231 HydrophobicContact CB-CD2 4.27Å; G1204-L1231 WeakPolarHBondContact O-CD2 3.33Å; W1205-L1231 CarbonylContact C-O 3.5Å; W1205-L1231 PolarHBondContact O-N 3.1Å; S1206-L1231 WeakPolarHBondContact CA-O 3.31Å; S1206-L1231 WeakPolarHBondContact CB-O 3.39Å; S1206-L1231 PolarHBondContact N-O 2.92Å; S1206-L1231 PolarHBondContact OG-O 2.8Å; L1231-Y1239 HydrophobicContact CD1-CD1 4.12Å; L1231-Y1239 HydrophobicContact CD1-CE1 4.01Å; L1231-L1261 HydrophobicContact CB-CD1 3.9Å; L1231-L1261 HydrophobicContact CD2-CD1 4.27Å
1232	L	90.6	Very high	92.1	Very high	33 Å²	33	27.4 Å²	27.4	17%	0.173	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-66.4	176.6	-175.2	65.8	0	0	0	110.2	R842 S1206 E1238 M1240	R842-L1232 WeakPolarHBondContact CD-O 3.34Å; R842-L1232 VanDerWaalsContact NE-CD1 3.27Å; S1206-L1232 VanDerWaalsContact OG-CD1 3.27Å; S1206-L1232 WeakPolarHBondContact OG-CD1 3.34Å; L1232-E1238 HydrophobicContact CB-CB 4.3Å; L1232-E1238 WeakPolarHBondContact CB-O 3.36Å; L1232-E1238 HydrophobicContact CD2-CB 4.27Å; L1232-E1238 WeakPolarHBondContact CD2-OE2 3.47Å; L1232-E1238 PolarHBondContact N-O 2.98Å; L1232-E1238 VanDerWaalsContact N-O 3.11Å; L1232-M1240 HydrophobicContact CB-CB 4Å; L1232-M1240 HydrophobicContact CD1-CB 4.41Å; L1232-M1240 HydrophobicContact CD1-SD 4.28Å; L1232-M1240 HydrophobicContact CD2-CB 4.49Å; L1232-M1240 HydrophobicContact CG-CB 4.47Å
1233	D	88.7	Confident	92.1	Very high	6.8 Å²	6.8	26.4 Å²	26.4	4%	0.036	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	111.1	-178.7	-164.8	-26.2	0	0	0	111.2	R842 S843 T1235 R1236 L1237 E1238	R842-D1233 HydrophobicContact CB-CB 4.29Å; R842-D1233 WeakPolarHBondContact CB-OD2 3.32Å; S843-D1233 WeakPolarHBondContact CA-OD2 3.28Å; S843-D1233 WeakPolarHBondContact CB-OD2 3.44Å; S843-D1233 PolarHBondContact N-OD2 3.07Å; S843-D1233 PolarHBondContact OG-OD2 3.1Å; D1233-T1235 VanDerWaalsContact C-N 3.3Å; D1233-T1235 PolarHBondContact O-N 3.23Å; D1233-T1235 WeakPolarHBondContact OD1-CA 3.3Å; D1233-T1235 WeakPolarHBondContact OD1-CB 3.32Å; D1233-T1235 PolarHBondContact OD1-N 3.02Å; D1233-T1235 PolarHBondContact OD1-OG1 3.06Å; D1233-T1235 VanDerWaalsContact OD1-OG1 3.05Å; D1233-T1235 PolarHBondContact OD2-OG1 3Å; D1233-R1236 HydrophobicContact CB-CB 4.4Å; D1233-R1236 PolarHBondContact O-N 3.07Å; D1233-R1236 PolarHBondContact OD1-N 2.77Å; D1233-R1236 IonicContact OD2-CZ 3.37Å; D1233-R1236 IonicContact OD2-NE 2.71Å; D1233-R1236 IonicContact OD2-NH1 2.72Å; D1233-R1236 PolarHBondContact OD2-NH1 3.48Å; D1233-L1237 PolarHBondContact O-N 3.22Å; D1233-L1237 VanDerWaalsContact O-N 3.11Å; D1233-E1238 HydrophobicContact CB-CB 4.17Å; D1233-E1238 PolarHBondContact N-O 3.13Å; D1233-E1238 PolarHBondContact O-N 3.26Å
1234	Y	85.4	Confident	92	Very high	38.4 Å²	38.4	25.9 Å²	25.9	15%	0.151	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24	-179.6	69.2	-89.6	0	0	0	113.2	L839 K840 M1118 L1122 R1236 L1237	L839-Y1234 HydrophobicContact CB-CD1 4.14Å; L839-Y1234 HydrophobicContact CB-CE1 3.86Å; L839-Y1234 HydrophobicContact CB-CE2 4.42Å; L839-Y1234 HydrophobicContact CB-CG 4.48Å; L839-Y1234 HydrophobicContact CD1-CD1 4.28Å; L839-Y1234 HydrophobicContact CD1-CD2 4.03Å; L839-Y1234 HydrophobicContact CD1-CE2 4.33Å; L839-Y1234 HydrophobicContact CD1-CG 4.14Å; L839-Y1234 HydrophobicContact CD2-CD1 4.37Å; L839-Y1234 HydrophobicContact CD2-CG 4.39Å; K840-Y1234 WeakPolarHBondContact O-CE1 3.24Å; M1118-Y1234 VanDerWaalsContact CG-O 3.22Å; M1118-Y1234 WeakPolarHBondContact CG-O 3.29Å; M1118-Y1234 HydrophobicContact SD-CD2 4.42Å; L1122-Y1234 HydrophobicContact CD1-CD2 4.15Å; L1122-Y1234 HydrophobicContact CD1-CE2 3.62Å; L1122-Y1234 HydrophobicContact CD2-CE2 4.04Å; L1122-Y1234 HydrophobicContact CG-CE2 4.39Å; Y1234-R1236 VanDerWaalsContact C-N 3.29Å; Y1234-R1236 PolarHBondContact O-N 2.68Å; Y1234-L1237 PolarHBondContact O-N 3.02Å
1235	T	82.7	Confident	91.9	Very high	38.6 Å²	38.6	25.9 Å²	25.9	24%	0.237	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-26	-179.4	62.7	0	0	0	0	112.5	T844 M1118 D1233	T844-T1235 WeakPolarHBondContact OG1-CB 3.31Å; T844-T1235 VanDerWaalsContact OG1-CG2 3.24Å; T844-T1235 WeakPolarHBondContact OG1-CG2 3.43Å; T844-T1235 PolarHBondContact OG1-OG1 3.14Å; T844-T1235 VanDerWaalsContact OG1-OG1 3.04Å; M1118-T1235 VanDerWaalsContact SD-CA 3.58Å; M1118-T1235 VanDerWaalsContact SD-O 3.35Å; D1233-T1235 VanDerWaalsContact C-N 3.3Å; D1233-T1235 PolarHBondContact O-N 3.23Å; D1233-T1235 WeakPolarHBondContact OD1-CA 3.3Å; D1233-T1235 WeakPolarHBondContact OD1-CB 3.32Å; D1233-T1235 PolarHBondContact OD1-N 3.02Å; D1233-T1235 PolarHBondContact OD1-OG1 3.06Å; D1233-T1235 VanDerWaalsContact OD1-OG1 3.05Å; D1233-T1235 PolarHBondContact OD2-OG1 3Å
1236	R	81.7	Confident	91.6	Very high	115 Å²	115	23.3 Å²	23.3	43%	0.434	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	1.8	175.9	-63.2	-173.3	178.1	160.9	0.3	113.5	S843 S877 D1233 Y1234 E1238	S843-R1236 VanDerWaalsContact CB-CZ 3.48Å; S843-R1236 WeakPolarHBondContact OG-CD 3.31Å; S843-R1236 PolarHBondContact OG-NE 3.07Å; S843-R1236 VanDerWaalsContact OG-NE 3.08Å; S877-R1236 PolarHBondContact OG-NH1 2.87Å; D1233-R1236 HydrophobicContact CB-CB 4.4Å; D1233-R1236 PolarHBondContact O-N 3.07Å; D1233-R1236 PolarHBondContact OD1-N 2.77Å; D1233-R1236 IonicContact OD2-CZ 3.37Å; D1233-R1236 IonicContact OD2-NE 2.71Å; D1233-R1236 IonicContact OD2-NH1 2.72Å; D1233-R1236 PolarHBondContact OD2-NH1 3.48Å; Y1234-R1236 VanDerWaalsContact C-N 3.29Å; Y1234-R1236 PolarHBondContact O-N 2.68Å; R1236-E1238 HydrophobicContact CB-CB 4.45Å; R1236-E1238 HydrophobicContact CB-CG 3.78Å; R1236-E1238 VanDerWaalsContact CD-OE1 3.28Å; R1236-E1238 WeakPolarHBondContact CD-OE1 3.41Å; R1236-E1238 IonicContact NH1-OE1 3.35Å; R1236-E1238 PolarHBondContact O-N 2.98Å
1237	L	86.4	Confident	91.3	Very high	24.4 Å²	24.4	23.5 Å²	23.5	13%	0.128	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	34.6	-171.6	-54.8	176	0	0	0	112.4	E1114 M1118 A1128 D1233 Y1234 Y1239	E1114-L1237 HydrophobicContact CB-CD1 3.92Å; E1114-L1237 HydrophobicContact CG-CD1 4.48Å; M1118-L1237 HydrophobicContact CB-CD2 4.05Å; M1118-L1237 HydrophobicContact CB-CG 4.47Å; M1118-L1237 HydrophobicContact CG-CD2 4.15Å; A1128-L1237 HydrophobicContact CB-CD2 3.83Å; A1128-L1237 VanDerWaalsContact O-CD2 3.26Å; A1128-L1237 WeakPolarHBondContact O-CD2 3.31Å; D1233-L1237 PolarHBondContact O-N 3.22Å; D1233-L1237 VanDerWaalsContact O-N 3.11Å; Y1234-L1237 PolarHBondContact O-N 3.02Å; L1237-Y1239 HydrophobicContact CB-CE2 4.3Å; L1237-Y1239 VanDerWaalsContact O-CD2 3.26Å; L1237-Y1239 WeakPolarHBondContact O-CD2 3.3Å; L1237-Y1239 WeakPolarHBondContact O-CE2 3.4Å
1238	E	87.8	Confident	91.1	Very high	77.4 Å²	77.4	22.5 Å²	22.5	36%	0.362	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.3	178.9	-71.5	176.1	-165.8	0	0	110.5	L1232 D1233 R1236	L1232-E1238 HydrophobicContact CB-CB 4.3Å; L1232-E1238 WeakPolarHBondContact CB-O 3.36Å; L1232-E1238 HydrophobicContact CD2-CB 4.27Å; L1232-E1238 WeakPolarHBondContact CD2-OE2 3.47Å; L1232-E1238 PolarHBondContact N-O 2.98Å; L1232-E1238 VanDerWaalsContact N-O 3.11Å; D1233-E1238 HydrophobicContact CB-CB 4.17Å; D1233-E1238 PolarHBondContact N-O 3.13Å; D1233-E1238 PolarHBondContact O-N 3.26Å; R1236-E1238 HydrophobicContact CB-CB 4.45Å; R1236-E1238 HydrophobicContact CB-CG 3.78Å; R1236-E1238 VanDerWaalsContact CD-OE1 3.28Å; R1236-E1238 WeakPolarHBondContact CD-OE1 3.41Å; R1236-E1238 IonicContact NH1-OE1 3.35Å; R1236-E1238 PolarHBondContact O-N 2.98Å
1239	Y	91.4	Very high	90.7	Very high	41.6 Å²	41.6	21.6 Å²	21.6	16%	0.163	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.6	-179.9	-67.4	-90.2	0	0	0	110.1	A1128 N1129 G1230 L1231 L1237 L1261	A1128-Y1239 VanDerWaalsContact C-OH 3.23Å; A1128-Y1239 PolarHBondContact O-OH 3.21Å; N1129-Y1239 VanDerWaalsContact CA-OH 3.29Å; N1129-Y1239 WeakPolarHBondContact CA-OH 3.27Å; N1129-Y1239 HydrophobicContact CB-CE2 4.35Å; N1129-Y1239 VanDerWaalsContact CB-OH 3.23Å; N1129-Y1239 WeakPolarHBondContact CB-OH 3.32Å; N1129-Y1239 PolarHBondContact N-OH 3.36Å; G1230-Y1239 WeakPolarHBondContact O-CA 3.32Å; G1230-Y1239 WeakPolarHBondContact O-CB 3.33Å; G1230-Y1239 VanDerWaalsContact O-CD1 3.25Å; G1230-Y1239 WeakPolarHBondContact O-CD1 3.32Å; L1231-Y1239 HydrophobicContact CD1-CD1 4.12Å; L1231-Y1239 HydrophobicContact CD1-CE1 4.01Å; L1237-Y1239 HydrophobicContact CB-CE2 4.3Å; L1237-Y1239 VanDerWaalsContact O-CD2 3.26Å; L1237-Y1239 WeakPolarHBondContact O-CD2 3.3Å; L1237-Y1239 WeakPolarHBondContact O-CE2 3.4Å; Y1239-L1261 HydrophobicContact CD1-CB 4.13Å; Y1239-L1261 WeakPolarHBondContact CD1-O 3.16Å; Y1239-L1261 HydrophobicContact CE1-CB 4Å
1240	M	91.3	Very high	90.4	Very high	13.2 Å²	13.2	22.8 Å²	22.8	7%	0.065	11%	0.113	C	C	.	.			trans	-134.5	146.8	177.5	-173.2	-178.4	97.3	0	0	109.3	S1206 R1209 G1230 L1232 Q1244 S1262	S1206-M1240 VanDerWaalsContact O-CE 3.23Å; S1206-M1240 WeakPolarHBondContact O-CE 3.2Å; S1206-M1240 WeakPolarHBondContact OG-CE 3.34Å; R1209-M1240 HydrophobicContact CB-CE 3.94Å; R1209-M1240 HydrophobicContact CB-SD 4.36Å; G1230-M1240 CarbonylContact C-O 3.47Å; G1230-M1240 VanDerWaalsContact C-O 3.3Å; G1230-M1240 WeakPolarHBondContact CA-O 3.32Å; G1230-M1240 PolarHBondContact O-N 3.14Å; G1230-M1240 VanDerWaalsContact O-N 3.11Å; L1232-M1240 HydrophobicContact CB-CB 4Å; L1232-M1240 HydrophobicContact CD1-CB 4.41Å; L1232-M1240 HydrophobicContact CD1-SD 4.28Å; L1232-M1240 HydrophobicContact CD2-CB 4.49Å; L1232-M1240 HydrophobicContact CG-CB 4.47Å; M1240-Q1244 HydrophobicContact CE-CB 4.21Å; M1240-S1262 VanDerWaalsContact O-CB 3.28Å; M1240-S1262 WeakPolarHBondContact O-CB 3.34Å
1241	P	95.3	Very high	90.4	Very high	12.6 Å²	12.6	26.2 Å²	26.2	8%	0.082	13%	0.133	C	C	.	.			trans	-58.6	150.8	176.3	-24.9	34.6	0	0	0	113.1	L1243 Q1244 D1263 V1266	P1241-L1243 VanDerWaalsContact C-N 3.26Å; P1241-L1243 PolarHBondContact O-N 3.13Å; P1241-Q1244 HydrophobicContact CB-CB 4.39Å; P1241-Q1244 HydrophobicContact CG-CB 4.41Å; P1241-D1263 VanDerWaalsContact CA-O 3.3Å; P1241-D1263 WeakPolarHBondContact CA-O 3.39Å; P1241-D1263 HydrophobicContact CB-CB 4.2Å; P1241-D1263 HydrophobicContact CG-CB 4.29Å; P1241-V1266 HydrophobicContact CB-CB 3.93Å; P1241-V1266 HydrophobicContact CB-CG2 3.66Å; P1241-V1266 HydrophobicContact CG-CB 3.67Å; P1241-V1266 HydrophobicContact CG-CG1 4.45Å; P1241-V1266 HydrophobicContact CG-CG2 3.27Å
1242	S	96.4	Very high	90.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-59.1	-38.6	177.4	-64.9	0	0	0	0	112.4	G1207 I1208 A1229 S1260 D1263 G1264	G1207-S1242 CarbonylContact C-O 3.46Å; G1207-S1242 VanDerWaalsContact CA-O 3.26Å; G1207-S1242 WeakPolarHBondContact CA-O 3.29Å; I1208-S1242 PolarHBondContact N-O 3.2Å; A1229-S1242 VanDerWaalsContact CB-OG 3.32Å; A1229-S1242 WeakPolarHBondContact CB-OG 3.27Å; S1242-S1260 WeakPolarHBondContact OG-CB 3.42Å; S1242-S1260 PolarHBondContact OG-OG 3.23Å; S1242-D1263 PolarHBondContact N-O 3.04Å; S1242-D1263 VanDerWaalsContact N-O 3.13Å; S1242-G1264 VanDerWaalsContact CB-O 3.28Å; S1242-G1264 WeakPolarHBondContact CB-O 3.35Å; S1242-G1264 PolarHBondContact N-O 3.13Å
1243	L	97.2	Very high	90.8	Very high	2.4 Å²	2.4	26.7 Å²	26.7	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	120.1	169.3	178.4	59.5	0	0	0	109.4	I1208 I1210 I1221 I1226 P1241 L1245 L1255 I1257 G1264 L1265 V1266	I1208-L1243 HydrophobicContact CB-CD1 3.81Å; I1208-L1243 HydrophobicContact CG2-CD1 3.83Å; I1208-L1243 CarbonylContact O-C 3.5Å; I1208-L1243 WeakPolarHBondContact O-CA 3.24Å; I1210-L1243 HydrophobicContact CD1-CD1 4.42Å; I1221-L1243 HydrophobicContact CD1-CD2 4.19Å; I1226-L1243 HydrophobicContact CD1-CB 4.09Å; I1226-L1243 HydrophobicContact CD1-CD2 4.43Å; P1241-L1243 VanDerWaalsContact C-N 3.26Å; P1241-L1243 PolarHBondContact O-N 3.13Å; L1243-L1245 HydrophobicContact CD1-CD2 3.96Å; L1243-L1245 HydrophobicContact CG-CD2 4.23Å; L1243-L1245 HydrophobicContact CG-CG 4.32Å; L1243-L1255 HydrophobicContact CD2-CD2 3.91Å; L1243-I1257 HydrophobicContact CB-CD1 4.02Å; L1243-G1264 PolarHBondContact N-O 3.05Å; L1243-G1264 VanDerWaalsContact N-O 3.12Å; L1243-L1265 HydrophobicContact CB-CD1 4.06Å; L1243-L1265 HydrophobicContact CD2-CD1 3.89Å; L1243-L1265 HydrophobicContact CG-CD1 3.78Å; L1243-L1265 CarbonylContact O-C 3.55Å; L1243-L1265 WeakPolarHBondContact O-CA 3.41Å; L1243-L1265 WeakPolarHBondContact O-CD1 3.3Å; L1243-V1266 PolarHBondContact O-N 3.01Å
1244	Q	95.7	Very high	91.2	Very high	24.6 Å²	24.6	28.5 Å²	28.5	12%	0.115	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.8	174.6	-177.8	176.7	-34.7	0	0	110.5	I1208 R1209 I1210 M1240 P1241 D1246 V1266	I1208-Q1244 PolarHBondContact O-N 3Å; R1209-Q1244 WeakPolarHBondContact CA-O 3.27Å; R1209-Q1244 HydrophobicContact CB-CB 4.37Å; R1209-Q1244 HydrophobicContact CG-CB 4.21Å; R1209-Q1244 HydrophobicContact CG-CG 4.31Å; R1209-Q1244 VanDerWaalsContact NE-NE2 3.2Å; I1210-Q1244 PolarHBondContact N-O 2.96Å; M1240-Q1244 HydrophobicContact CE-CB 4.21Å; P1241-Q1244 HydrophobicContact CB-CB 4.39Å; P1241-Q1244 HydrophobicContact CG-CB 4.41Å; Q1244-D1246 PolarHBondContact NE2-OD1 3.26Å; Q1244-V1266 CarbonylContact C-O 3.57Å; Q1244-V1266 WeakPolarHBondContact CA-O 3.34Å; Q1244-V1266 HydrophobicContact CG-CB 4.43Å; Q1244-V1266 HydrophobicContact CG-CG1 4.29Å
1245	L	94.6	Very high	91.8	Very high	0.2 Å²	0.2	26.7 Å²	26.7	0%	0.001	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.9	179.7	-59	-178.9	0	0	0	109.3	I1210 I1221 L1243 F1248 I1252 L1265 V1266 I1267 L1268 I1276	I1210-L1245 HydrophobicContact CB-CD2 3.93Å; I1210-L1245 HydrophobicContact CD1-CD2 3.7Å; I1210-L1245 HydrophobicContact CG1-CD2 4.07Å; I1221-L1245 HydrophobicContact CD1-CD2 4.37Å; L1243-L1245 HydrophobicContact CD1-CD2 3.96Å; L1243-L1245 HydrophobicContact CG-CD2 4.23Å; L1243-L1245 HydrophobicContact CG-CG 4.32Å; L1245-F1248 HydrophobicContact CB-CB 3.89Å; L1245-F1248 HydrophobicContact CB-CG 4.37Å; L1245-F1248 HydrophobicContact CD1-CB 4.07Å; L1245-F1248 HydrophobicContact CD1-CD1 4.11Å; L1245-F1248 HydrophobicContact CD1-CD2 4.25Å; L1245-F1248 HydrophobicContact CD1-CE1 4.48Å; L1245-F1248 HydrophobicContact CD1-CG 3.91Å; L1245-F1248 HydrophobicContact CD2-CB 4.42Å; L1245-F1248 HydrophobicContact CD2-CD2 4.28Å; L1245-F1248 HydrophobicContact CD2-CG 4.42Å; L1245-F1248 HydrophobicContact CG-CB 4.38Å; L1245-F1248 HydrophobicContact CG-CG 4.48Å; L1245-I1252 HydrophobicContact CD1-CD1 3.68Å; L1245-L1265 HydrophobicContact CD1-CD1 4Å; L1245-L1265 HydrophobicContact CG-CD1 4.15Å; L1245-V1266 PolarHBondContact N-O 2.93Å; L1245-I1267 HydrophobicContact CB-CG1 4.4Å; L1245-I1267 HydrophobicContact CD1-CG1 4.3Å; L1245-I1267 CarbonylContact O-C 3.56Å; L1245-I1267 WeakPolarHBondContact O-CA 3.28Å; L1245-L1268 PolarHBondContact O-N 3.08Å; L1245-I1276 HydrophobicContact CD1-CD1 4.04Å
1246	D	92.3	Very high	92.5	Very high	0.4 Å²	0.4	28.2 Å²	28.2	0%	0.002	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-37.4	-176.2	-67.3	-5.9	0	0	0	111	R1209 I1210 T1211 A1212 Q1244 F1248 L1268 Y1269 F1328	R1209-D1246 IonicContact CZ-OD1 3.13Å; R1209-D1246 IonicContact CZ-OD2 3.06Å; R1209-D1246 VanDerWaalsContact CZ-OD2 3.28Å; R1209-D1246 IonicContact NE-OD1 3.12Å; R1209-D1246 PolarHBondContact NE-OD1 3.01Å; R1209-D1246 IonicContact NE-OD2 3.2Å; R1209-D1246 PolarHBondContact NE-OD2 3.25Å; R1209-D1246 IonicContact NH2-OD1 3.05Å; R1209-D1246 IonicContact NH2-OD2 3.04Å; R1209-D1246 PolarHBondContact NH2-OD2 3.14Å; I1210-D1246 WeakPolarHBondContact O-CB 3.25Å; I1210-D1246 PolarHBondContact O-N 3.06Å; T1211-D1246 CarbonylContact C-O 3.49Å; T1211-D1246 WeakPolarHBondContact CA-OD2 3.36Å; A1212-D1246 VanDerWaalsContact CA-O 3.27Å; A1212-D1246 WeakPolarHBondContact CA-O 2.95Å; A1212-D1246 HydrophobicContact CB-CB 4.37Å; A1212-D1246 PolarHBondContact N-O 2.81Å; Q1244-D1246 PolarHBondContact NE2-OD1 3.26Å; D1246-F1248 VanDerWaalsContact C-N 3.29Å; D1246-F1248 PolarHBondContact O-N 2.98Å; D1246-L1268 HydrophobicContact CB-CD1 4.36Å; D1246-L1268 WeakPolarHBondContact O-CB 3.32Å; D1246-L1268 VanDerWaalsContact OD1-CD1 3.31Å; D1246-L1268 WeakPolarHBondContact OD1-CD1 3.37Å; D1246-Y1269 WeakPolarHBondContact O-CB 3.33Å; D1246-Y1269 PolarHBondContact O-N 2.96Å; D1246-F1328 HydrophobicContact CB-CD2 4Å; D1246-F1328 HydrophobicContact CB-CE2 3.87Å
1247	Y	91	Very high	93.3	Very high	5.8 Å²	5.8	22.8 Å²	22.8	2%	0.023	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	90	173.4	-161.5	-78.6	0	0	0	110.5	S1217 Y1269 N1271 P1272 F1328 I1374 F1376 D1408 L1410 S1526 Q1528	S1217-Y1247 VanDerWaalsContact CA-O 3.29Å; S1217-Y1247 WeakPolarHBondContact CA-O 3.29Å; S1217-Y1247 WeakPolarHBondContact CB-O 3.27Å; S1217-Y1247 WeakPolarHBondContact OG-CD1 2.9Å; S1217-Y1247 PolarHBondContact OG-O 2.83Å; Y1247-Y1269 CarbonylContact C-O 3.54Å; Y1247-Y1269 WeakPolarHBondContact CA-O 3.28Å; Y1247-Y1269 VanDerWaalsContact CD2-CB 3.49Å; Y1247-Y1269 HydrophobicContact CD2-CG 4.36Å; Y1247-Y1269 PolarHBondContact N-O 3.45Å; Y1247-N1271 HydrophobicContact CE1-CB 4.14Å; Y1247-N1271 WeakPolarHBondContact OH-CA 3.39Å; Y1247-P1272 WeakPolarHBondContact OH-CD 3.45Å; Y1247-F1328 HydrophobicContact CD2-CZ 4.27Å; Y1247-I1374 HydrophobicContact CD1-CD1 4.27Å; Y1247-I1374 HydrophobicContact CE1-CD1 3.72Å; Y1247-I1374 HydrophobicContact CE1-CG2 4.38Å; Y1247-F1376 HydrophobicContact CD1-CE1 4.26Å; Y1247-F1376 AromaticContact CD1-CZ 3.8Å; Y1247-F1376 HydrophobicContact CD1-CZ 3.84Å; Y1247-F1376 AromaticContact CD2-CE1 3.85Å; Y1247-F1376 HydrophobicContact CD2-CE1 4.02Å; Y1247-F1376 HydrophobicContact CD2-CZ 4.26Å; Y1247-F1376 HydrophobicContact CE1-CE1 4.35Å; Y1247-F1376 HydrophobicContact CE1-CZ 4.3Å; Y1247-F1376 HydrophobicContact CE2-CE1 4.16Å; Y1247-F1376 AromaticContact CG-CE1 3.91Å; Y1247-F1376 HydrophobicContact CG-CE1 4.02Å; Y1247-F1376 AromaticContact CG-CZ 3.83Å; Y1247-F1376 HydrophobicContact CG-CZ 3.87Å; Y1247-D1408 PolarHBondContact OH-OD2 3.12Å; Y1247-L1410 HydrophobicContact CD2-CD1 4.47Å; Y1247-L1410 HydrophobicContact CD2-CD2 4.31Å; Y1247-L1410 HydrophobicContact CE2-CD1 4.26Å; Y1247-L1410 HydrophobicContact CE2-CD2 4.08Å; Y1247-S1526 WeakPolarHBondContact OH-CB 3.39Å; Y1247-S1526 PolarHBondContact OH-OG 3Å; Y1247-S1526 VanDerWaalsContact OH-OG 3.09Å; Y1247-Q1528 PolarHBondContact OH-NE2 3.08Å; Y1247-Q1528 VanDerWaalsContact OH-NE2 3.08Å
1248	F	90.2	Very high	93.7	Very high	4.4 Å²	4.4	22.2 Å²	22.2	2%	0.019	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.1	-174.7	-176.3	-90.1	0	0	0	112.7	S1217 T1219 I1221 L1245 D1246 I1252 Y1269 S1270 N1271 I1276	S1217-F1248 WeakPolarHBondContact O-CD2 3.39Å; S1217-F1248 VanDerWaalsContact O-CE2 3.26Å; S1217-F1248 WeakPolarHBondContact O-CE2 3.44Å; S1217-F1248 WeakPolarHBondContact O-CG 2.96Å; T1219-F1248 HydrophobicContact CG2-CD2 4.4Å; T1219-F1248 HydrophobicContact CG2-CE2 3.84Å; T1219-F1248 VanDerWaalsContact O-CE2 3.25Å; T1219-F1248 WeakPolarHBondContact O-CE2 3.32Å; T1219-F1248 WeakPolarHBondContact O-CZ 3.29Å; T1219-F1248 WeakPolarHBondContact OG1-CE2 3.4Å; I1221-F1248 HydrophobicContact CD1-CE2 4.23Å; I1221-F1248 HydrophobicContact CD1-CZ 4.35Å; I1221-F1248 HydrophobicContact CG1-CE2 4.46Å; I1221-F1248 HydrophobicContact CG1-CZ 4.27Å; L1245-F1248 HydrophobicContact CB-CB 3.89Å; L1245-F1248 HydrophobicContact CB-CG 4.37Å; L1245-F1248 HydrophobicContact CD1-CB 4.07Å; L1245-F1248 HydrophobicContact CD1-CD1 4.11Å; L1245-F1248 HydrophobicContact CD1-CD2 4.25Å; L1245-F1248 HydrophobicContact CD1-CE1 4.48Å; L1245-F1248 HydrophobicContact CD1-CG 3.91Å; L1245-F1248 HydrophobicContact CD2-CB 4.42Å; L1245-F1248 HydrophobicContact CD2-CD2 4.28Å; L1245-F1248 HydrophobicContact CD2-CG 4.42Å; L1245-F1248 HydrophobicContact CG-CB 4.38Å; L1245-F1248 HydrophobicContact CG-CG 4.48Å; D1246-F1248 VanDerWaalsContact C-N 3.29Å; D1246-F1248 PolarHBondContact O-N 2.98Å; F1248-I1252 HydrophobicContact CD1-CD1 4.44Å; F1248-I1252 HydrophobicContact CE1-CD1 4.14Å; F1248-I1252 HydrophobicContact CE1-CG1 3.86Å; F1248-I1252 HydrophobicContact CZ-CD1 4.36Å; F1248-I1252 HydrophobicContact CZ-CG1 4.08Å; F1248-Y1269 PolarHBondContact N-O 2.99Å; F1248-Y1269 VanDerWaalsContact N-O 3.11Å; F1248-S1270 VanDerWaalsContact O-CA 3.28Å; F1248-S1270 WeakPolarHBondContact O-CA 3.43Å; F1248-S1270 WeakPolarHBondContact O-CB 3.28Å; F1248-N1271 PolarHBondContact O-N 3.43Å; F1248-N1271 VanDerWaalsContact O-N 3.12Å; F1248-I1276 HydrophobicContact CB-CD1 4.49Å; F1248-I1276 HydrophobicContact CD1-CB 4.4Å; F1248-I1276 HydrophobicContact CD1-CD1 3.57Å; F1248-I1276 VanDerWaalsContact CD1-CD1 3.47Å; F1248-I1276 HydrophobicContact CD1-CG1 3.84Å; F1248-I1276 HydrophobicContact CE1-CD1 4.11Å; F1248-I1276 HydrophobicContact CE1-CG1 4.14Å; F1248-I1276 HydrophobicContact CG-CD1 4.38Å
1249	S	86.1	Confident	93.9	Very high	14.6 Å²	14.6	20.9 Å²	20.9	10%	0.102	12%	0.115	C	C	.	.			trans	-142.9	114.3	177.6	19.1	0	0	0	0	110.7	S1217 R1218 N1271 G1275	S1217-S1249 PolarHBondContact O-N 2.93Å; S1217-S1249 PolarHBondContact O-OG 2.86Å; R1218-S1249 WeakPolarHBondContact CA-O 3.18Å; S1249-N1271 VanDerWaalsContact CB-CB 3.49Å; S1249-N1271 WeakPolarHBondContact OG-CA 3.47Å; S1249-N1271 WeakPolarHBondContact OG-CB 3.35Å; S1249-N1271 PolarHBondContact OG-N 2.95Å; S1249-G1275 WeakPolarHBondContact CA-O 3.4Å
1250	G	87.6	Confident	94	Very high	25.4 Å²	25.4	19.1 Å²	19.1	26%	0.262	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	156.6	-172.8	-175.4	0	0	0	0	0	113	G1275 K1277	G1250-G1275 PolarHBondContact N-O 3.18Å; G1250-K1277 PolarHBondContact O-N 3Å; G1250-K1277 VanDerWaalsContact O-N 3.1Å
1251	T	93.4	Very high	94	Very high	70.6 Å²	70.6	19.2 Å²	19.2	43%	0.433	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.8	179.2	-57.1	0	0	0	0	110.5	I1220 I1221 K1277 I1279	I1220-T1251 WeakPolarHBondContact CA-O 3.36Å; I1220-T1251 WeakPolarHBondContact CG2-O 3.38Å; I1221-T1251 PolarHBondContact N-O 2.88Å; T1251-K1277 CarbonylContact C-O 3.55Å; T1251-K1277 VanDerWaalsContact CA-O 3.27Å; T1251-K1277 WeakPolarHBondContact CA-O 3.21Å; T1251-K1277 HydrophobicContact CG2-CB 4.36Å; T1251-K1277 HydrophobicContact CG2-CG 4.39Å; T1251-I1279 HydrophobicContact CG2-CD1 3.6Å; T1251-I1279 HydrophobicContact CG2-CG1 4Å
1252	I	95.7	Very high	94	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.8	167.9	-57.8	-179.9	0	0	0	107.3	I1221 L1245 F1248 L1255 L1265 I1276 K1277 I1278 I1279	I1221-I1252 HydrophobicContact CB-CG1 4.31Å; I1221-I1252 HydrophobicContact CB-CG2 4.29Å; I1221-I1252 HydrophobicContact CD1-CD1 4.3Å; I1221-I1252 HydrophobicContact CD1-CG1 4.45Å; I1221-I1252 HydrophobicContact CG2-CG2 4.09Å; I1221-I1252 CarbonylContact O-C 3.53Å; I1221-I1252 WeakPolarHBondContact O-CA 3.28Å; L1245-I1252 HydrophobicContact CD1-CD1 3.68Å; F1248-I1252 HydrophobicContact CD1-CD1 4.44Å; F1248-I1252 HydrophobicContact CE1-CD1 4.14Å; F1248-I1252 HydrophobicContact CE1-CG1 3.86Å; F1248-I1252 HydrophobicContact CZ-CD1 4.36Å; F1248-I1252 HydrophobicContact CZ-CG1 4.08Å; I1252-L1255 HydrophobicContact CG2-CB 3.67Å; I1252-L1255 HydrophobicContact CG2-CD2 3.83Å; I1252-L1255 HydrophobicContact CG2-CG 4.36Å; I1252-L1265 HydrophobicContact CD1-CD2 4.44Å; I1252-I1276 HydrophobicContact CD1-CD1 3.99Å; I1252-K1277 PolarHBondContact N-O 2.62Å; I1252-I1278 HydrophobicContact CB-CG1 4.27Å; I1252-I1278 HydrophobicContact CD1-CG1 4.38Å; I1252-I1278 CarbonylContact O-C 3.57Å; I1252-I1278 WeakPolarHBondContact O-CA 3.37Å; I1252-I1279 PolarHBondContact O-N 3.07Å
1253	N	96.4	Very high	93.9	Very high	43.6 Å²	43.6	19.6 Å²	19.6	23%	0.233	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.7	-177	-175.1	37.5	0	0	0	111.4	I1221 S1222 H1223 L1255 I1279 N1280	I1221-N1253 PolarHBondContact O-N 3.18Å; I1221-N1253 VanDerWaalsContact O-N 3.17Å; S1222-N1253 CarbonylContact C-O 3.55Å; S1222-N1253 VanDerWaalsContact CA-O 3.28Å; S1222-N1253 WeakPolarHBondContact CA-O 3.41Å; H1223-N1253 PolarHBondContact N-O 2.93Å; N1253-L1255 VanDerWaalsContact C-N 3.32Å; N1253-L1255 PolarHBondContact O-N 3.06Å; N1253-I1279 WeakPolarHBondContact CA-O 3.37Å; N1253-I1279 PolarHBondContact OD1-O 2.96Å; N1253-N1280 PolarHBondContact OD1-ND2 3.24Å; N1253-N1280 VanDerWaalsContact OD1-ND2 3.1Å
1254	N	97.6	Very high	93.9	Very high	44.6 Å²	44.6	19.5 Å²	19.5	24%	0.239	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.7	46.5	179.4	-67.8	-13.5	0	0	0	113	H1223 V1224 I1279 N1280	H1223-N1254 VanDerWaalsContact CA-O 3.29Å; H1223-N1254 WeakPolarHBondContact CA-O 3.41Å; H1223-N1254 PolarHBondContact CD2-ND2 3.21Å; H1223-N1254 VanDerWaalsContact CD2-ND2 3.28Å; H1223-N1254 PolarHBondContact NE2-ND2 2.83Å; V1224-N1254 PolarHBondContact N-O 3.12Å; N1254-I1279 PolarHBondContact N-O 3.04Å; N1254-I1279 VanDerWaalsContact N-O 3.11Å; N1254-N1280 WeakPolarHBondContact CA-O 3.32Å; N1254-N1280 VanDerWaalsContact OD1-CB 3.25Å; N1254-N1280 WeakPolarHBondContact OD1-CB 3.36Å; N1254-N1280 PolarHBondContact OD1-O 3.21Å
1255	L	97.4	Very high	94	Very high	1.6 Å²	1.6	18.3 Å²	18.3	1%	0.008	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	132.4	170.7	175.5	65.1	0	0	0	109.5	I1221 V1224 I1226 L1243 I1252 N1253 I1257 L1265 S1281 Q1282 F1283	I1221-L1255 HydrophobicContact CG2-CD1 4.43Å; V1224-L1255 HydrophobicContact CB-CD1 4.06Å; V1224-L1255 HydrophobicContact CG1-CD1 4.22Å; V1224-L1255 CarbonylContact O-C 3.57Å; V1224-L1255 WeakPolarHBondContact O-CA 3.38Å; I1226-L1255 HydrophobicContact CD1-CD1 4.2Å; I1226-L1255 HydrophobicContact CG1-CD1 4.39Å; L1243-L1255 HydrophobicContact CD2-CD2 3.91Å; I1252-L1255 HydrophobicContact CG2-CB 3.67Å; I1252-L1255 HydrophobicContact CG2-CD2 3.83Å; I1252-L1255 HydrophobicContact CG2-CG 4.36Å; N1253-L1255 VanDerWaalsContact C-N 3.32Å; N1253-L1255 PolarHBondContact O-N 3.06Å; L1255-I1257 HydrophobicContact CD1-CG1 4.15Å; L1255-I1257 HydrophobicContact CD2-CD1 4.1Å; L1255-I1257 HydrophobicContact CD2-CG1 4.24Å; L1255-I1257 HydrophobicContact CG-CD1 4.43Å; L1255-I1257 HydrophobicContact CG-CG1 4.04Å; L1255-L1265 HydrophobicContact CD2-CD2 4.37Å; L1255-S1281 PolarHBondContact N-OG 3.26Å; L1255-S1281 VanDerWaalsContact N-OG 3.11Å; L1255-S1281 CarbonylContact O-C 3.48Å; L1255-S1281 WeakPolarHBondContact O-CA 3.41Å; L1255-S1281 VanDerWaalsContact O-CB 3.23Å; L1255-S1281 WeakPolarHBondContact O-CB 3.21Å; L1255-Q1282 PolarHBondContact O-N 3.09Å; L1255-F1283 HydrophobicContact CD2-CE1 4.29Å; L1255-F1283 HydrophobicContact CD2-CZ 4.34Å
1256	K	97.7	Very high	94.1	Very high	70.4 Å²	70.4	18.5 Å²	18.5	31%	0.306	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117.4	173.4	-176.4	173.2	-177.4	175	0	110.2	V1224 Q1225 I1226 T1258 Q1282	V1224-K1256 PolarHBondContact O-N 2.89Å; Q1225-K1256 CarbonylContact C-O 3.51Å; Q1225-K1256 WeakPolarHBondContact CA-O 3.38Å; Q1225-K1256 HydrophobicContact CG-CB 4.22Å; I1226-K1256 PolarHBondContact N-O 3.11Å; K1256-T1258 HydrophobicContact CD-CG2 4.4Å; K1256-T1258 HydrophobicContact CG-CG2 3.9Å; K1256-Q1282 CarbonylContact C-O 3.51Å; K1256-Q1282 VanDerWaalsContact CA-O 3.3Å; K1256-Q1282 WeakPolarHBondContact CA-O 3.19Å; K1256-Q1282 HydrophobicContact CB-CB 4.45Å; K1256-Q1282 VanDerWaalsContact CE-OE1 3.32Å; K1256-Q1282 HydrophobicContact CG-CB 4.25Å
1257	I	97.6	Very high	94.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.3	174.8	-54.3	-169.6	0	0	0	109.3	I1226 L1243 L1255 S1260 G1264 L1265 Q1282 F1283 T1284	I1226-I1257 HydrophobicContact CB-CG1 4.27Å; I1226-I1257 HydrophobicContact CD1-CD1 4.44Å; I1226-I1257 HydrophobicContact CD1-CG1 4.46Å; I1226-I1257 HydrophobicContact CG2-CG2 4.5Å; I1226-I1257 CarbonylContact O-C 3.55Å; I1226-I1257 VanDerWaalsContact O-CA 3.3Å; I1226-I1257 WeakPolarHBondContact O-CA 3.42Å; L1243-I1257 HydrophobicContact CB-CD1 4.02Å; L1255-I1257 HydrophobicContact CD1-CG1 4.15Å; L1255-I1257 HydrophobicContact CD2-CD1 4.1Å; L1255-I1257 HydrophobicContact CD2-CG1 4.24Å; L1255-I1257 HydrophobicContact CG-CD1 4.43Å; L1255-I1257 HydrophobicContact CG-CG1 4.04Å; I1257-S1260 VanDerWaalsContact CG2-OG 3.31Å; I1257-S1260 WeakPolarHBondContact CG2-OG 3.43Å; I1257-G1264 WeakPolarHBondContact CD1-O 3.32Å; I1257-L1265 HydrophobicContact CD1-CB 4.09Å; I1257-Q1282 PolarHBondContact N-O 3.12Å; I1257-F1283 HydrophobicContact CB-CD1 4.01Å; I1257-F1283 HydrophobicContact CB-CE1 4.44Å; I1257-F1283 HydrophobicContact CD1-CD1 4.19Å; I1257-F1283 HydrophobicContact CD1-CE1 3.89Å; I1257-F1283 HydrophobicContact CG1-CD1 4.16Å; I1257-F1283 HydrophobicContact CG1-CE1 4.09Å; I1257-F1283 WeakPolarHBondContact O-CA 3.15Å; I1257-T1284 PolarHBondContact O-N 2.92Å
1258	T	95.1	Very high	94.3	Very high	13 Å²	13	18.7 Å²	18.7	8%	0.08	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.6	178.6	81.5	0	0	0	0	114.2	I1226 H1227 H1228 K1256 S1260 T1284	I1226-T1258 PolarHBondContact O-N 3.07Å; H1227-T1258 WeakPolarHBondContact CA-O 3.25Å; H1227-T1258 PolarHBondContact CE1-OG1 3.39Å; H1227-T1258 PolarHBondContact ND1-OG1 3.31Å; H1228-T1258 PolarHBondContact N-O 3.23Å; H1228-T1258 VanDerWaalsContact N-O 3.15Å; K1256-T1258 HydrophobicContact CD-CG2 4.4Å; K1256-T1258 HydrophobicContact CG-CG2 3.9Å; T1258-S1260 VanDerWaalsContact C-N 3.31Å; T1258-S1260 PolarHBondContact O-N 2.86Å; T1258-T1284 WeakPolarHBondContact CA-O 3.38Å; T1258-T1284 WeakPolarHBondContact CB-O 3.15Å; T1258-T1284 WeakPolarHBondContact CB-OG1 3.28Å; T1258-T1284 WeakPolarHBondContact CG2-OG1 3.35Å
1259	N	92.2	Very high	94.3	Very high	49 Å²	49	19 Å²	19	26%	0.262	11%	0.108	S	C	.	.	S	Bend	trans	57.7	38.6	173.4	-56.7	-14.9	0	0	0	113.7	H1228 T1284 D1285 N1286	H1228-N1259 WeakPolarHBondContact CA-O 3.15Å; H1228-N1259 VanDerWaalsContact CD2-CB 3.47Å; H1228-N1259 WeakPolarHBondContact CD2-CB 3.38Å; H1228-N1259 PolarHBondContact NE2-ND2 3.18Å; H1228-N1259 VanDerWaalsContact NE2-ND2 3.15Å; N1259-T1284 PolarHBondContact N-O 2.91Å; N1259-D1285 VanDerWaalsContact CA-O 3.27Å; N1259-D1285 WeakPolarHBondContact CA-O 3.3Å; N1259-D1285 PolarHBondContact N-O 2.97Å; N1259-D1285 VanDerWaalsContact N-O 3.12Å; N1259-D1285 VanDerWaalsContact OD1-CB 3.27Å; N1259-D1285 WeakPolarHBondContact OD1-CB 3.43Å; N1259-D1285 PolarHBondContact OD1-OD2 3.25Å; N1259-N1286 PolarHBondContact N-OD1 2.82Å
1260	S	93	Very high	94.5	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.028	10%	0.104	C	C	.	.			trans	-70.4	137.5	173.9	-157.6	0	0	0	0	111	A1229 S1242 I1257 T1258 S1262 D1263 D1285 N1286 F1287	A1229-S1260 CarbonylContact O-C 3.56Å; A1229-S1260 VanDerWaalsContact O-CA 3.3Å; A1229-S1260 WeakPolarHBondContact O-CA 3.31Å; S1242-S1260 WeakPolarHBondContact OG-CB 3.42Å; S1242-S1260 PolarHBondContact OG-OG 3.23Å; I1257-S1260 VanDerWaalsContact CG2-OG 3.31Å; I1257-S1260 WeakPolarHBondContact CG2-OG 3.43Å; T1258-S1260 VanDerWaalsContact C-N 3.31Å; T1258-S1260 PolarHBondContact O-N 2.86Å; S1260-S1262 WeakPolarHBondContact CB-O 3.42Å; S1260-S1262 PolarHBondContact O-N 3.05Å; S1260-S1262 PolarHBondContact OG-N 3.06Å; S1260-S1262 VanDerWaalsContact OG-N 3.14Å; S1260-S1262 PolarHBondContact OG-O 3.07Å; S1260-S1262 VanDerWaalsContact OG-O 3.11Å; S1260-D1263 PolarHBondContact OG-O 3.22Å; S1260-D1285 PolarHBondContact N-O 2.89Å; S1260-N1286 VanDerWaalsContact CB-OD1 3.24Å; S1260-N1286 WeakPolarHBondContact CB-OD1 3.31Å; S1260-N1286 PolarHBondContact N-OD1 3.12Å; S1260-N1286 VanDerWaalsContact N-OD1 3.1Å; S1260-N1286 PolarHBondContact OG-OD1 2.85Å; S1260-F1287 WeakPolarHBondContact O-CB 3.25Å; S1260-F1287 PolarHBondContact O-N 3.2Å
1261	L	92	Very high	94.4	Very high	16.8 Å²	16.8	17.2 Å²	17.2	9%	0.088	9%	0.092	C	C	.	.	S	Bend	trans	-76.9	-4.9	169.3	-68.6	169.8	0	0	0	113.5	V1127 N1129 H1201 R1202 A1229 L1231 Y1239 F1287	V1127-L1261 HydrophobicContact CG2-CD1 4.36Å; N1129-L1261 PolarHBondContact ND2-O 2.8Å; H1201-L1261 HydrophobicContact CB-CD2 3.89Å; R1202-L1261 WeakPolarHBondContact O-CD1 3.25Å; A1229-L1261 PolarHBondContact O-N 3.04Å; L1231-L1261 HydrophobicContact CB-CD1 3.9Å; L1231-L1261 HydrophobicContact CD2-CD1 4.27Å; Y1239-L1261 HydrophobicContact CD1-CB 4.13Å; Y1239-L1261 WeakPolarHBondContact CD1-O 3.16Å; Y1239-L1261 HydrophobicContact CE1-CB 4Å; L1261-F1287 VanDerWaalsContact O-CD1 3.31Å; L1261-F1287 WeakPolarHBondContact O-CD1 3.42Å
1262	S	93.8	Very high	94	Very high	5.6 Å²	5.6	14.3 Å²	14.3	4%	0.039	7%	0.074	C	C	.	.	S	Bend	trans	-135.9	-150.4	176.9	-168.1	0	0	0	0	109.4	M1240 S1260 F1287 E1288	M1240-S1262 VanDerWaalsContact O-CB 3.28Å; M1240-S1262 WeakPolarHBondContact O-CB 3.34Å; S1260-S1262 WeakPolarHBondContact CB-O 3.42Å; S1260-S1262 PolarHBondContact O-N 3.05Å; S1260-S1262 PolarHBondContact OG-N 3.06Å; S1260-S1262 VanDerWaalsContact OG-N 3.14Å; S1260-S1262 PolarHBondContact OG-O 3.07Å; S1260-S1262 VanDerWaalsContact OG-O 3.11Å; S1262-F1287 PolarHBondContact O-N 2.93Å; S1262-E1288 PolarHBondContact O-N 3.2Å; S1262-E1288 PolarHBondContact OG-OE1 3.19Å
1263	D	95.5	Very high	93.3	Very high	14.8 Å²	14.8	17.1 Å²	17.1	8%	0.079	9%	0.089	C	C	.	.			trans	-62.9	150.7	169.6	-64.9	-56.7	0	0	0	111.3	P1241 S1242 S1260 V1266 E1288 S1289	P1241-D1263 VanDerWaalsContact CA-O 3.3Å; P1241-D1263 WeakPolarHBondContact CA-O 3.39Å; P1241-D1263 HydrophobicContact CB-CB 4.2Å; P1241-D1263 HydrophobicContact CG-CB 4.29Å; S1242-D1263 PolarHBondContact N-O 3.04Å; S1242-D1263 VanDerWaalsContact N-O 3.13Å; S1260-D1263 PolarHBondContact OG-O 3.22Å; D1263-V1266 HydrophobicContact CB-CG2 3.73Å; D1263-E1288 VanDerWaalsContact OD1-CB 3.27Å; D1263-E1288 WeakPolarHBondContact OD1-CB 3.19Å; D1263-S1289 CarbonylContact C-O 3.52Å; D1263-S1289 WeakPolarHBondContact CA-O 3.28Å; D1263-S1289 WeakPolarHBondContact OD1-CA 3.38Å; D1263-S1289 VanDerWaalsContact OD1-CB 3.28Å; D1263-S1289 WeakPolarHBondContact OD1-CB 3.22Å; D1263-S1289 PolarHBondContact OD1-N 2.93Å; D1263-S1289 PolarHBondContact OD1-OG 2.9Å
1264	G	96.4	Very high	92.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-71.7	-73.8	173.7	0	0	0	0	0	111.5	S1242 L1243 I1257 S1289 G1290	S1242-G1264 VanDerWaalsContact CB-O 3.28Å; S1242-G1264 WeakPolarHBondContact CB-O 3.35Å; S1242-G1264 PolarHBondContact N-O 3.13Å; L1243-G1264 PolarHBondContact N-O 3.05Å; L1243-G1264 VanDerWaalsContact N-O 3.12Å; I1257-G1264 WeakPolarHBondContact CD1-O 3.32Å; G1264-S1289 PolarHBondContact N-O 2.97Å; G1264-G1290 WeakPolarHBondContact CA-O 3.26Å
1265	L	97.5	Very high	92.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.6	176.9	169.4	61.3	0	0	0	110.7	L1243 L1245 I1252 L1255 I1257 I1267 I1278 F1283 G1290 L1291 L1292	L1243-L1265 HydrophobicContact CB-CD1 4.06Å; L1243-L1265 HydrophobicContact CD2-CD1 3.89Å; L1243-L1265 HydrophobicContact CG-CD1 3.78Å; L1243-L1265 CarbonylContact O-C 3.55Å; L1243-L1265 WeakPolarHBondContact O-CA 3.41Å; L1243-L1265 WeakPolarHBondContact O-CD1 3.3Å; L1245-L1265 HydrophobicContact CD1-CD1 4Å; L1245-L1265 HydrophobicContact CG-CD1 4.15Å; I1252-L1265 HydrophobicContact CD1-CD2 4.44Å; L1255-L1265 HydrophobicContact CD2-CD2 4.37Å; I1257-L1265 HydrophobicContact CD1-CB 4.09Å; L1265-I1267 HydrophobicContact CD1-CG1 4.17Å; L1265-I1267 HydrophobicContact CD2-CD1 4.18Å; L1265-I1267 HydrophobicContact CD2-CG1 4.5Å; L1265-I1267 HydrophobicContact CG-CD1 4.24Å; L1265-I1267 HydrophobicContact CG-CG1 4.19Å; L1265-I1278 HydrophobicContact CD2-CD1 3.56Å; L1265-I1278 VanDerWaalsContact CD2-CD1 3.42Å; L1265-F1283 HydrophobicContact CB-CD1 4.37Å; L1265-F1283 HydrophobicContact CB-CE1 3.61Å; L1265-F1283 HydrophobicContact CB-CZ 4.3Å; L1265-F1283 HydrophobicContact CD2-CE1 4.03Å; L1265-F1283 HydrophobicContact CD2-CZ 3.91Å; L1265-F1283 HydrophobicContact CG-CE1 4.48Å; L1265-G1290 PolarHBondContact N-O 3.06Å; L1265-G1290 VanDerWaalsContact N-O 3.16Å; L1265-L1291 HydrophobicContact CB-CG 4.34Å; L1265-L1291 HydrophobicContact CD2-CD1 4.06Å; L1265-L1291 HydrophobicContact CD2-CG 4.26Å; L1265-L1291 HydrophobicContact CG-CG 4.37Å; L1265-L1291 WeakPolarHBondContact O-CA 3.32Å; L1265-L1292 PolarHBondContact O-N 3.09Å
1266	V	96.9	Very high	92.1	Very high	4.8 Å²	4.8	19 Å²	19	3%	0.029	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.7	171.7	170.1	0	0	0	0	111.3	P1241 L1243 Q1244 L1245 D1263 L1268 L1292 Y1294	P1241-V1266 HydrophobicContact CB-CB 3.93Å; P1241-V1266 HydrophobicContact CB-CG2 3.66Å; P1241-V1266 HydrophobicContact CG-CB 3.67Å; P1241-V1266 HydrophobicContact CG-CG1 4.45Å; P1241-V1266 HydrophobicContact CG-CG2 3.27Å; L1243-V1266 PolarHBondContact O-N 3.01Å; Q1244-V1266 CarbonylContact C-O 3.57Å; Q1244-V1266 WeakPolarHBondContact CA-O 3.34Å; Q1244-V1266 HydrophobicContact CG-CB 4.43Å; Q1244-V1266 HydrophobicContact CG-CG1 4.29Å; L1245-V1266 PolarHBondContact N-O 2.93Å; D1263-V1266 HydrophobicContact CB-CG2 3.73Å; V1266-L1268 HydrophobicContact CG1-CD2 3.95Å; V1266-L1268 HydrophobicContact CG1-CG 4.44Å; V1266-L1292 CarbonylContact C-O 3.54Å; V1266-L1292 VanDerWaalsContact CA-O 3.24Å; V1266-L1292 WeakPolarHBondContact CA-O 3.35Å; V1266-L1292 HydrophobicContact CG2-CB 4.04Å; V1266-L1292 HydrophobicContact CG2-CD2 4.03Å; V1266-L1292 HydrophobicContact CG2-CG 4.21Å; V1266-Y1294 HydrophobicContact CG1-CD2 4.19Å; V1266-Y1294 HydrophobicContact CG1-CE2 3.76Å
1267	I	95.3	Very high	92	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	111.7	174.9	-55.8	145.6	0	0	0	108.8	L1245 L1265 I1276 I1278 L1291 L1292 Y1294 T1295 F1298	L1245-I1267 HydrophobicContact CB-CG1 4.4Å; L1245-I1267 HydrophobicContact CD1-CG1 4.3Å; L1245-I1267 CarbonylContact O-C 3.56Å; L1245-I1267 WeakPolarHBondContact O-CA 3.28Å; L1265-I1267 HydrophobicContact CD1-CG1 4.17Å; L1265-I1267 HydrophobicContact CD2-CD1 4.18Å; L1265-I1267 HydrophobicContact CD2-CG1 4.5Å; L1265-I1267 HydrophobicContact CG-CD1 4.24Å; L1265-I1267 HydrophobicContact CG-CG1 4.19Å; I1267-I1276 HydrophobicContact CD1-CD1 3.7Å; I1267-I1276 HydrophobicContact CD1-CG2 4.37Å; I1267-I1276 HydrophobicContact CG1-CD1 3.92Å; I1267-I1276 HydrophobicContact CG2-CD1 4.32Å; I1267-I1276 HydrophobicContact CG2-CG2 4.5Å; I1267-I1278 HydrophobicContact CD1-CD1 4.03Å; I1267-L1291 HydrophobicContact CD1-CD2 4.41Å; I1267-L1292 PolarHBondContact N-O 3.12Å; I1267-Y1294 WeakPolarHBondContact O-CB 3.32Å; I1267-Y1294 WeakPolarHBondContact O-CD2 3.38Å; I1267-Y1294 PolarHBondContact O-N 3.23Å; I1267-T1295 HydrophobicContact CB-CG2 4.42Å; I1267-T1295 HydrophobicContact CG2-CG2 3.6Å; I1267-F1298 HydrophobicContact CD1-CD2 4.17Å; I1267-F1298 HydrophobicContact CD1-CE2 3.9Å
1268	L	92.4	Very high	92	Very high	9.2 Å²	9.2	19.8 Å²	19.8	5%	0.048	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-55.9	-179.4	-60.4	-177.6	0	0	0	111.3	L1245 D1246 V1266 Y1294 F1328	L1245-L1268 PolarHBondContact O-N 3.08Å; D1246-L1268 HydrophobicContact CB-CD1 4.36Å; D1246-L1268 WeakPolarHBondContact O-CB 3.32Å; D1246-L1268 VanDerWaalsContact OD1-CD1 3.31Å; D1246-L1268 WeakPolarHBondContact OD1-CD1 3.37Å; V1266-L1268 HydrophobicContact CG1-CD2 3.95Å; V1266-L1268 HydrophobicContact CG1-CG 4.44Å; L1268-Y1294 HydrophobicContact CD2-CD2 3.64Å; L1268-Y1294 HydrophobicContact CD2-CE2 3.7Å; L1268-Y1294 HydrophobicContact CD2-CG 4.14Å; L1268-Y1294 VanDerWaalsContact O-CB 3.27Å; L1268-Y1294 WeakPolarHBondContact O-CB 3.41Å; L1268-F1328 HydrophobicContact CD1-CD2 3.95Å; L1268-F1328 HydrophobicContact CD1-CE2 4.45Å
1269	Y	90.9	Very high	92.1	Very high	10 Å²	10	20.6 Å²	20.6	4%	0.039	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.8	177.9	-67.4	-85.7	0	0	0	111.2	D1246 Y1247 F1248 M1320 F1328 L1410 W1591	D1246-Y1269 WeakPolarHBondContact O-CB 3.33Å; D1246-Y1269 PolarHBondContact O-N 2.96Å; Y1247-Y1269 CarbonylContact C-O 3.54Å; Y1247-Y1269 WeakPolarHBondContact CA-O 3.28Å; Y1247-Y1269 VanDerWaalsContact CD2-CB 3.49Å; Y1247-Y1269 HydrophobicContact CD2-CG 4.36Å; Y1247-Y1269 PolarHBondContact N-O 3.45Å; F1248-Y1269 PolarHBondContact N-O 2.99Å; F1248-Y1269 VanDerWaalsContact N-O 3.11Å; Y1269-M1320 HydrophobicContact CD2-CE 4.21Å; Y1269-M1320 HydrophobicContact CE2-CE 3.96Å; Y1269-M1320 HydrophobicContact CE2-SD 3.87Å; Y1269-M1320 WeakPolarHBondContact OH-CE 3.31Å; Y1269-M1320 PolarHBondContact OH-SD 3.21Å; Y1269-F1328 HydrophobicContact CD2-CD2 4.49Å; Y1269-F1328 HydrophobicContact CD2-CE1 4.44Å; Y1269-F1328 AromaticContact CD2-CE2 3.74Å; Y1269-F1328 HydrophobicContact CD2-CE2 3.85Å; Y1269-F1328 AromaticContact CD2-CZ 3.73Å; Y1269-F1328 HydrophobicContact CD2-CZ 3.87Å; Y1269-F1328 HydrophobicContact CE2-CE1 4.29Å; Y1269-F1328 AromaticContact CE2-CE2 3.98Å; Y1269-F1328 HydrophobicContact CE2-CE2 4.05Å; Y1269-F1328 AromaticContact CE2-CZ 3.91Å; Y1269-F1328 HydrophobicContact CE2-CZ 3.91Å; Y1269-L1410 HydrophobicContact CD1-CD2 3.74Å; Y1269-L1410 HydrophobicContact CD2-CD2 4.3Å; Y1269-L1410 HydrophobicContact CE1-CD2 3.85Å; Y1269-L1410 HydrophobicContact CE2-CD2 4.25Å; Y1269-L1410 HydrophobicContact CG-CD2 3.94Å; Y1269-L1410 PolarHBondContact OH-O 2.84Å; Y1269-L1410 VanDerWaalsContact OH-O 3.11Å; Y1269-W1591 AromaticContact CZ-NE1 3.99Å; Y1269-W1591 WeakPolarHBondContact OH-CZ2 3.31Å; Y1269-W1591 PolarHBondContact OH-NE1 3.06Å
1270	S	90	Very high	92.3	Very high	0.2 Å²	0.2	21.7 Å²	21.7	0%	0.001	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.9	168.3	61.8	0	0	0	0	109.6	F1248 P1272 T1295 W1297	F1248-S1270 VanDerWaalsContact O-CA 3.28Å; F1248-S1270 WeakPolarHBondContact O-CA 3.43Å; F1248-S1270 WeakPolarHBondContact O-CB 3.28Å; S1270-P1272 WeakPolarHBondContact O-CD 3.31Å; S1270-T1295 PolarHBondContact N-OG1 3.02Å; S1270-T1295 WeakPolarHBondContact OG-CB 3.49Å; S1270-T1295 VanDerWaalsContact OG-CG2 3.3Å; S1270-T1295 WeakPolarHBondContact OG-CG2 3.4Å; S1270-T1295 PolarHBondContact OG-OG1 3.06Å; S1270-W1297 WeakPolarHBondContact OG-CB 3.43Å; S1270-W1297 PolarHBondContact OG-O 3.03Å; S1270-W1297 VanDerWaalsContact OG-O 3.12Å
1271	N	86.6	Confident	92.6	Very high	2.6 Å²	2.6	21.6 Å²	21.6	1%	0.014	11%	0.113	C	C	.	.			trans	-59.7	125.3	175.6	-178.8	-57.2	0	0	0	110.4	Y1247 F1248 S1249 L1273 L1274 G1275 I1374 Q1528	Y1247-N1271 HydrophobicContact CE1-CB 4.14Å; Y1247-N1271 WeakPolarHBondContact OH-CA 3.39Å; F1248-N1271 PolarHBondContact O-N 3.43Å; F1248-N1271 VanDerWaalsContact O-N 3.12Å; S1249-N1271 VanDerWaalsContact CB-CB 3.49Å; S1249-N1271 WeakPolarHBondContact OG-CA 3.47Å; S1249-N1271 WeakPolarHBondContact OG-CB 3.35Å; S1249-N1271 PolarHBondContact OG-N 2.95Å; N1271-L1273 VanDerWaalsContact C-N 3.27Å; N1271-L1273 PolarHBondContact O-N 3.02Å; N1271-L1273 VanDerWaalsContact O-N 3.16Å; N1271-L1273 WeakPolarHBondContact OD1-CA 3.3Å; N1271-L1273 VanDerWaalsContact OD1-CB 3.31Å; N1271-L1273 WeakPolarHBondContact OD1-CB 3.29Å; N1271-L1273 PolarHBondContact OD1-N 3.05Å; N1271-L1274 HydrophobicContact CB-CB 4.27Å; N1271-L1274 PolarHBondContact O-N 3.02Å; N1271-L1274 PolarHBondContact OD1-N 3.11Å; N1271-L1274 VanDerWaalsContact OD1-N 3.14Å; N1271-G1275 VanDerWaalsContact O-CA 3.28Å; N1271-G1275 WeakPolarHBondContact O-CA 3.35Å; N1271-G1275 PolarHBondContact O-N 3.01Å; N1271-I1374 HydrophobicContact CB-CD1 4.33Å; N1271-I1374 WeakPolarHBondContact ND2-CD1 3.37Å; N1271-Q1528 VanDerWaalsContact CG-OE1 3.31Å; N1271-Q1528 VanDerWaalsContact ND2-CD 3.31Å; N1271-Q1528 PolarHBondContact ND2-NE2 2.86Å; N1271-Q1528 VanDerWaalsContact ND2-NE2 3.17Å; N1271-Q1528 PolarHBondContact ND2-OE1 3.03Å; N1271-Q1528 PolarHBondContact OD1-NE2 3.22Å; N1271-Q1528 PolarHBondContact OD1-OE1 2.96Å; N1271-Q1528 VanDerWaalsContact OD1-OE1 3.11Å
1272	P	84.8	Confident	92.9	Very high	9.6 Å²	9.6	24 Å²	24	6%	0.062	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.6	-176.6	-4.6	7	0	0	0	115.6	Y1247 S1270 W1297 I1406 D1408 P1501 L1556	Y1247-P1272 WeakPolarHBondContact OH-CD 3.45Å; S1270-P1272 WeakPolarHBondContact O-CD 3.31Å; P1272-W1297 HydrophobicContact CB-CD2 4.02Å; P1272-W1297 VanDerWaalsContact CB-CE2 3.48Å; P1272-W1297 HydrophobicContact CB-CE3 4.35Å; P1272-W1297 HydrophobicContact CB-CG 4.36Å; P1272-W1297 HydrophobicContact CB-CH2 4.33Å; P1272-W1297 HydrophobicContact CB-CZ2 3.99Å; P1272-W1297 HydrophobicContact CB-CZ3 4.49Å; P1272-W1297 HydrophobicContact CG-CD2 4.28Å; P1272-W1297 HydrophobicContact CG-CE3 4.11Å; P1272-W1297 HydrophobicContact CG-CH2 4.18Å; P1272-W1297 HydrophobicContact CG-CZ2 4.05Å; P1272-W1297 HydrophobicContact CG-CZ3 4.02Å; P1272-W1297 VanDerWaalsContact O-CD1 3.27Å; P1272-W1297 PolarHBondContact O-NE1 3.25Å; P1272-I1406 HydrophobicContact CG-CG2 4.48Å; P1272-D1408 HydrophobicContact CG-CB 4.22Å; P1272-D1408 WeakPolarHBondContact CG-OD2 3.44Å; P1272-P1501 HydrophobicContact CB-CB 4.34Å; P1272-P1501 HydrophobicContact CB-CG 3.71Å; P1272-P1501 HydrophobicContact CG-CB 4.1Å; P1272-P1501 HydrophobicContact CG-CG 3.97Å; P1272-L1556 HydrophobicContact CB-CD1 3.89Å; P1272-L1556 HydrophobicContact CG-CD1 4.26Å
1273	L	81.2	Confident	93	Very high	59.4 Å²	59.4	23.8 Å²	23.8	31%	0.311	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-44.5	175.5	-72.4	-179.2	0	0	0	112.8	N1271 I1406 Q1528 R1530 L1556	N1271-L1273 VanDerWaalsContact C-N 3.27Å; N1271-L1273 PolarHBondContact O-N 3.02Å; N1271-L1273 VanDerWaalsContact O-N 3.16Å; N1271-L1273 WeakPolarHBondContact OD1-CA 3.3Å; N1271-L1273 VanDerWaalsContact OD1-CB 3.31Å; N1271-L1273 WeakPolarHBondContact OD1-CB 3.29Å; N1271-L1273 PolarHBondContact OD1-N 3.05Å; L1273-I1406 HydrophobicContact CD1-CD1 3.28Å; L1273-I1406 VanDerWaalsContact CD1-CD1 3.46Å; L1273-I1406 HydrophobicContact CD2-CD1 3.71Å; L1273-I1406 HydrophobicContact CG-CD1 3.61Å; L1273-Q1528 HydrophobicContact CD1-CG 4.16Å; L1273-Q1528 VanDerWaalsContact CD1-OE1 3.22Å; L1273-R1530 HydrophobicContact CD1-CB 4.36Å; L1273-R1530 HydrophobicContact CD1-CG 4.43Å; L1273-L1556 HydrophobicContact CD2-CD1 3.88Å; L1273-L1556 HydrophobicContact CD2-CD2 4.17Å; L1273-L1556 HydrophobicContact CG-CD1 4.32Å
1274	L	83.4	Confident	93	Very high	116.6 Å²	116.6	24.2 Å²	24.2	61%	0.61	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-32.5	-173.3	-63.1	176.2	0	0	0	112.2	N1271	N1271-L1274 HydrophobicContact CB-CB 4.27Å; N1271-L1274 PolarHBondContact O-N 3.02Å; N1271-L1274 PolarHBondContact OD1-N 3.11Å; N1271-L1274 VanDerWaalsContact OD1-N 3.14Å
1275	G	88.4	Confident	92.8	Very high	11.2 Å²	11.2	25.6 Å²	25.6	12%	0.115	13%	0.133	C	C	.	.			trans	60.4	-173.3	-170.4	0	0	0	0	0	113.4	S1249 G1250 N1271 W1297	S1249-G1275 WeakPolarHBondContact CA-O 3.4Å; G1250-G1275 PolarHBondContact N-O 3.18Å; N1271-G1275 VanDerWaalsContact O-CA 3.28Å; N1271-G1275 WeakPolarHBondContact O-CA 3.35Å; N1271-G1275 PolarHBondContact O-N 3.01Å; G1275-W1297 CarbonylContact C-O 3.57Å; G1275-W1297 VanDerWaalsContact CA-O 3.25Å; G1275-W1297 WeakPolarHBondContact CA-O 3.35Å
1276	I	93.6	Very high	92.6	Very high	1.6 Å²	1.6	25.6 Å²	25.6	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.6	167.7	-173.5	172.6	0	0	0	109.9	L1245 F1248 I1252 I1267 I1278 T1295 W1297 F1298 S1299	L1245-I1276 HydrophobicContact CD1-CD1 4.04Å; F1248-I1276 HydrophobicContact CB-CD1 4.49Å; F1248-I1276 HydrophobicContact CD1-CB 4.4Å; F1248-I1276 HydrophobicContact CD1-CD1 3.57Å; F1248-I1276 VanDerWaalsContact CD1-CD1 3.47Å; F1248-I1276 HydrophobicContact CD1-CG1 3.84Å; F1248-I1276 HydrophobicContact CE1-CD1 4.11Å; F1248-I1276 HydrophobicContact CE1-CG1 4.14Å; F1248-I1276 HydrophobicContact CG-CD1 4.38Å; I1252-I1276 HydrophobicContact CD1-CD1 3.99Å; I1267-I1276 HydrophobicContact CD1-CD1 3.7Å; I1267-I1276 HydrophobicContact CD1-CG2 4.37Å; I1267-I1276 HydrophobicContact CG1-CD1 3.92Å; I1267-I1276 HydrophobicContact CG2-CD1 4.32Å; I1267-I1276 HydrophobicContact CG2-CG2 4.5Å; I1276-I1278 HydrophobicContact CD1-CD1 4.46Å; I1276-I1278 HydrophobicContact CD1-CG1 4.43Å; I1276-I1278 HydrophobicContact CG1-CG1 4.33Å; I1276-T1295 HydrophobicContact CG2-CG2 4.44Å; I1276-W1297 PolarHBondContact N-O 3.09Å; I1276-F1298 HydrophobicContact CG2-CB 4.36Å; I1276-F1298 HydrophobicContact CG2-CD2 3.7Å; I1276-F1298 HydrophobicContact CG2-CE2 4.46Å; I1276-F1298 HydrophobicContact CG2-CG 4.45Å; I1276-S1299 PolarHBondContact O-N 3.17Å; I1276-S1299 PolarHBondContact O-OG 3.06Å; I1276-S1299 VanDerWaalsContact O-OG 3.06Å
1277	K	95.2	Very high	92.3	Very high	86.4 Å²	86.4	25.6 Å²	25.6	38%	0.376	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.3	176.2	-156.6	175.9	-175.2	-179.8	0	110.6	G1250 T1251 I1252 I1279 S1299 I1301	G1250-K1277 PolarHBondContact O-N 3Å; G1250-K1277 VanDerWaalsContact O-N 3.1Å; T1251-K1277 CarbonylContact C-O 3.55Å; T1251-K1277 VanDerWaalsContact CA-O 3.27Å; T1251-K1277 WeakPolarHBondContact CA-O 3.21Å; T1251-K1277 HydrophobicContact CG2-CB 4.36Å; T1251-K1277 HydrophobicContact CG2-CG 4.39Å; I1252-K1277 PolarHBondContact N-O 2.62Å; K1277-I1279 HydrophobicContact CB-CD1 4.48Å; K1277-I1279 HydrophobicContact CB-CG1 4.43Å; K1277-I1279 HydrophobicContact CD-CD1 3.83Å; K1277-I1279 HydrophobicContact CD-CG1 4.24Å; K1277-I1279 VanDerWaalsContact CE-CD1 3.48Å; K1277-I1279 HydrophobicContact CG-CD1 3.95Å; K1277-I1279 HydrophobicContact CG-CG1 3.8Å; K1277-S1299 CarbonylContact C-O 3.49Å; K1277-S1299 WeakPolarHBondContact CA-O 3.29Å; K1277-S1299 VanDerWaalsContact CA-OG 3.28Å; K1277-S1299 WeakPolarHBondContact CA-OG 3.22Å; K1277-S1299 VanDerWaalsContact CB-OG 3.28Å; K1277-S1299 WeakPolarHBondContact CB-OG 3.28Å; K1277-S1299 VanDerWaalsContact CG-OG 3.26Å; K1277-S1299 WeakPolarHBondContact CG-OG 3.3Å; K1277-I1301 VanDerWaalsContact CE-CD1 3.41Å
1278	I	97	Very high	92.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.2	178.5	-58.3	169.6	0	0	0	108	I1252 L1265 I1267 I1276 F1283 L1291 F1298 S1299 L1300 I1301	I1252-I1278 HydrophobicContact CB-CG1 4.27Å; I1252-I1278 HydrophobicContact CD1-CG1 4.38Å; I1252-I1278 CarbonylContact O-C 3.57Å; I1252-I1278 WeakPolarHBondContact O-CA 3.37Å; L1265-I1278 HydrophobicContact CD2-CD1 3.56Å; L1265-I1278 VanDerWaalsContact CD2-CD1 3.42Å; I1267-I1278 HydrophobicContact CD1-CD1 4.03Å; I1276-I1278 HydrophobicContact CD1-CD1 4.46Å; I1276-I1278 HydrophobicContact CD1-CG1 4.43Å; I1276-I1278 HydrophobicContact CG1-CG1 4.33Å; I1278-F1283 HydrophobicContact CG2-CE2 4.45Å; I1278-F1283 HydrophobicContact CG2-CZ 4.43Å; I1278-L1291 HydrophobicContact CD1-CD1 3.64Å; I1278-F1298 HydrophobicContact CD1-CE2 3.74Å; I1278-F1298 HydrophobicContact CD1-CZ 4.29Å; I1278-S1299 PolarHBondContact N-O 3.13Å; I1278-L1300 HydrophobicContact CB-CD1 3.79Å; I1278-L1300 HydrophobicContact CD1-CD1 4.46Å; I1278-L1300 HydrophobicContact CG2-CD1 3.77Å; I1278-L1300 WeakPolarHBondContact O-CA 3.38Å; I1278-I1301 PolarHBondContact O-N 3.11Å
1279	I	97.5	Very high	92.3	Very high	31.8 Å²	31.8	26 Å²	26	16%	0.163	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.7	-171.7	-40.7	179.3	0	0	0	110.1	T1251 I1252 N1253 N1254 K1277 S1281 I1301	T1251-I1279 HydrophobicContact CG2-CD1 3.6Å; T1251-I1279 HydrophobicContact CG2-CG1 4Å; I1252-I1279 PolarHBondContact O-N 3.07Å; N1253-I1279 WeakPolarHBondContact CA-O 3.37Å; N1253-I1279 PolarHBondContact OD1-O 2.96Å; N1254-I1279 PolarHBondContact N-O 3.04Å; N1254-I1279 VanDerWaalsContact N-O 3.11Å; K1277-I1279 HydrophobicContact CB-CD1 4.48Å; K1277-I1279 HydrophobicContact CB-CG1 4.43Å; K1277-I1279 HydrophobicContact CD-CD1 3.83Å; K1277-I1279 HydrophobicContact CD-CG1 4.24Å; K1277-I1279 VanDerWaalsContact CE-CD1 3.48Å; K1277-I1279 HydrophobicContact CG-CD1 3.95Å; K1277-I1279 HydrophobicContact CG-CG1 3.8Å; I1279-S1281 PolarHBondContact O-N 3.03Å; I1279-S1281 VanDerWaalsContact O-N 3.08Å; I1279-S1281 PolarHBondContact O-OG 3.14Å; I1279-I1301 VanDerWaalsContact CA-O 3.29Å; I1279-I1301 WeakPolarHBondContact CA-O 3.37Å; I1279-I1301 HydrophobicContact CG1-CB 4.42Å; I1279-I1301 HydrophobicContact CG2-CB 4.39Å; I1279-I1301 HydrophobicContact CG2-CG2 4.44Å
1280	N	97.8	Very high	92.5	Very high	71 Å²	71	25.6 Å²	25.6	38%	0.38	13%	0.132	S	C	.	.	S	Bend	trans	52.9	33.8	171.4	-54.6	-41.3	0	0	0	113.6	N1253 N1254 I1301 N1302	N1253-N1280 PolarHBondContact OD1-ND2 3.24Å; N1253-N1280 VanDerWaalsContact OD1-ND2 3.1Å; N1254-N1280 WeakPolarHBondContact CA-O 3.32Å; N1254-N1280 VanDerWaalsContact OD1-CB 3.25Å; N1254-N1280 WeakPolarHBondContact OD1-CB 3.36Å; N1254-N1280 PolarHBondContact OD1-O 3.21Å; N1280-I1301 PolarHBondContact N-O 3.14Å; N1280-I1301 VanDerWaalsContact N-O 3.09Å; N1280-N1302 VanDerWaalsContact CA-O 3.29Å; N1280-N1302 WeakPolarHBondContact CA-O 3.28Å; N1280-N1302 VanDerWaalsContact OD1-CB 3.28Å; N1280-N1302 WeakPolarHBondContact OD1-CB 3.32Å; N1280-N1302 PolarHBondContact OD1-ND2 3.08Å
1281	S	98	Very high	92.8	Very high	1.4 Å²	1.4	25.6 Å²	25.6	1%	0.01	13%	0.132	C	C	.	.			trans	-109.3	152.8	-170.1	-63	0	0	0	0	112.1	L1255 I1279 C1303 Q1304	L1255-S1281 PolarHBondContact N-OG 3.26Å; L1255-S1281 VanDerWaalsContact N-OG 3.11Å; L1255-S1281 CarbonylContact O-C 3.48Å; L1255-S1281 WeakPolarHBondContact O-CA 3.41Å; L1255-S1281 VanDerWaalsContact O-CB 3.23Å; L1255-S1281 WeakPolarHBondContact O-CB 3.21Å; I1279-S1281 PolarHBondContact O-N 3.03Å; I1279-S1281 VanDerWaalsContact O-N 3.08Å; I1279-S1281 PolarHBondContact O-OG 3.14Å; S1281-C1303 PolarHBondContact N-SG 3.02Å; S1281-C1303 VanDerWaalsContact N-SG 3.38Å; S1281-C1303 CarbonylContact O-C 3.54Å; S1281-C1303 VanDerWaalsContact O-CA 3.24Å; S1281-C1303 WeakPolarHBondContact O-CA 3.36Å; S1281-C1303 VanDerWaalsContact O-CB 3.31Å; S1281-C1303 WeakPolarHBondContact O-CB 3.4Å; S1281-Q1304 PolarHBondContact O-N 2.75Å
1282	Q	97.8	Very high	93.3	Very high	68.2 Å²	68.2	25.7 Å²	25.7	32%	0.319	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.7	-173.6	-103.1	-177.4	0.6	0	0	111.2	L1255 K1256 I1257 T1284 Q1304	L1255-Q1282 PolarHBondContact O-N 3.09Å; K1256-Q1282 CarbonylContact C-O 3.51Å; K1256-Q1282 VanDerWaalsContact CA-O 3.3Å; K1256-Q1282 WeakPolarHBondContact CA-O 3.19Å; K1256-Q1282 HydrophobicContact CB-CB 4.45Å; K1256-Q1282 VanDerWaalsContact CE-OE1 3.32Å; K1256-Q1282 HydrophobicContact CG-CB 4.25Å; I1257-Q1282 PolarHBondContact N-O 3.12Å; Q1282-T1284 HydrophobicContact CG-CG2 3.63Å; Q1282-Q1304 CarbonylContact C-O 3.39Å; Q1282-Q1304 VanDerWaalsContact CA-O 3.31Å; Q1282-Q1304 WeakPolarHBondContact CA-O 3.24Å; Q1282-Q1304 HydrophobicContact CG-CB 4.42Å
1283	F	97.4	Very high	93.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	109.3	177.6	-55.5	-91.7	0	0	0	108.2	L1255 I1257 L1265 I1278 G1290 L1291 Q1304 I1305 T1306	L1255-F1283 HydrophobicContact CD2-CE1 4.29Å; L1255-F1283 HydrophobicContact CD2-CZ 4.34Å; I1257-F1283 HydrophobicContact CB-CD1 4.01Å; I1257-F1283 HydrophobicContact CB-CE1 4.44Å; I1257-F1283 HydrophobicContact CD1-CD1 4.19Å; I1257-F1283 HydrophobicContact CD1-CE1 3.89Å; I1257-F1283 HydrophobicContact CG1-CD1 4.16Å; I1257-F1283 HydrophobicContact CG1-CE1 4.09Å; I1257-F1283 WeakPolarHBondContact O-CA 3.15Å; L1265-F1283 HydrophobicContact CB-CD1 4.37Å; L1265-F1283 HydrophobicContact CB-CE1 3.61Å; L1265-F1283 HydrophobicContact CB-CZ 4.3Å; L1265-F1283 HydrophobicContact CD2-CE1 4.03Å; L1265-F1283 HydrophobicContact CD2-CZ 3.91Å; L1265-F1283 HydrophobicContact CG-CE1 4.48Å; I1278-F1283 HydrophobicContact CG2-CE2 4.45Å; I1278-F1283 HydrophobicContact CG2-CZ 4.43Å; F1283-G1290 VanDerWaalsContact CD1-O 3.31Å; F1283-G1290 WeakPolarHBondContact CD1-O 3.33Å; F1283-L1291 HydrophobicContact CE2-CD1 4.08Å; F1283-L1291 HydrophobicContact CZ-CD1 3.99Å; F1283-Q1304 PolarHBondContact N-O 3.02Å; F1283-I1305 HydrophobicContact CB-CB 4.44Å; F1283-I1305 HydrophobicContact CB-CG1 4.19Å; F1283-I1305 HydrophobicContact CB-CG2 4.13Å; F1283-I1305 HydrophobicContact CD2-CD1 4.31Å; F1283-I1305 HydrophobicContact CD2-CG1 3.83Å; F1283-I1305 HydrophobicContact CG-CG1 4.39Å; F1283-I1305 CarbonylContact O-C 3.57Å; F1283-I1305 VanDerWaalsContact O-CA 3.31Å; F1283-I1305 WeakPolarHBondContact O-CA 3.38Å; F1283-T1306 PolarHBondContact O-N 3.08Å
1284	T	95.2	Very high	94.5	Very high	23.4 Å²	23.4	23.5 Å²	23.5	14%	0.144	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.8	-169.9	50.6	0	0	0	0	112.7	I1257 T1258 N1259 Q1282 N1286 T1306	I1257-T1284 PolarHBondContact O-N 2.92Å; T1258-T1284 WeakPolarHBondContact CA-O 3.38Å; T1258-T1284 WeakPolarHBondContact CB-O 3.15Å; T1258-T1284 WeakPolarHBondContact CB-OG1 3.28Å; T1258-T1284 WeakPolarHBondContact CG2-OG1 3.35Å; N1259-T1284 PolarHBondContact N-O 2.91Å; Q1282-T1284 HydrophobicContact CG-CG2 3.63Å; T1284-N1286 VanDerWaalsContact C-N 3.32Å; T1284-N1286 PolarHBondContact O-N 2.86Å; T1284-T1306 CarbonylContact C-O 3.57Å; T1284-T1306 VanDerWaalsContact CA-O 3.3Å; T1284-T1306 WeakPolarHBondContact CA-O 3.36Å; T1284-T1306 VanDerWaalsContact CG2-OG1 3.3Å; T1284-T1306 WeakPolarHBondContact CG2-OG1 3.37Å
1285	D	92.1	Very high	95	Very high	30.2 Å²	30.2	18 Å²	18	16%	0.161	9%	0.091	C	C	.	.	S	Bend	trans	57.6	41.3	173.8	-103.2	-30.2	0	0	0	112.7	N1259 S1260 T1306 K1307 Q1309	N1259-D1285 VanDerWaalsContact CA-O 3.27Å; N1259-D1285 WeakPolarHBondContact CA-O 3.3Å; N1259-D1285 PolarHBondContact N-O 2.97Å; N1259-D1285 VanDerWaalsContact N-O 3.12Å; N1259-D1285 VanDerWaalsContact OD1-CB 3.27Å; N1259-D1285 WeakPolarHBondContact OD1-CB 3.43Å; N1259-D1285 PolarHBondContact OD1-OD2 3.25Å; S1260-D1285 PolarHBondContact N-O 2.89Å; D1285-T1306 PolarHBondContact N-O 2.83Å; D1285-K1307 WeakPolarHBondContact CA-O 3.35Å; D1285-K1307 HydrophobicContact CB-CB 4.3Å; D1285-K1307 VanDerWaalsContact CG-CD 3.43Å; D1285-K1307 VanDerWaalsContact OD1-CB 3.22Å; D1285-K1307 WeakPolarHBondContact OD1-CB 3.37Å; D1285-K1307 WeakPolarHBondContact OD1-CD 3.18Å; D1285-K1307 IonicContact OD1-NZ 3.65Å; D1285-K1307 PolarHBondContact OD1-NZ 2.71Å; D1285-K1307 WeakPolarHBondContact OD2-CD 3.47Å; D1285-K1307 IonicContact OD2-NZ 3.45Å; D1285-K1307 PolarHBondContact OD2-NZ 2.86Å; D1285-Q1309 PolarHBondContact OD1-NE2 2.82Å
1286	N	93	Very high	95.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.			trans	-88.5	137.9	173.4	-63.1	-45.8	0	0	0	109.4	N1259 S1260 T1284 E1288 S1308 Q1309	N1259-N1286 PolarHBondContact N-OD1 2.82Å; S1260-N1286 VanDerWaalsContact CB-OD1 3.24Å; S1260-N1286 WeakPolarHBondContact CB-OD1 3.31Å; S1260-N1286 PolarHBondContact N-OD1 3.12Å; S1260-N1286 VanDerWaalsContact N-OD1 3.1Å; S1260-N1286 PolarHBondContact OG-OD1 2.85Å; T1284-N1286 VanDerWaalsContact C-N 3.32Å; T1284-N1286 PolarHBondContact O-N 2.86Å; N1286-E1288 PolarHBondContact O-N 3Å; N1286-S1308 VanDerWaalsContact O-CA 3.31Å; N1286-S1308 WeakPolarHBondContact O-CA 3.32Å; N1286-Q1309 PolarHBondContact O-N 2.97Å; N1286-Q1309 VanDerWaalsContact O-N 3.13Å
1287	F	91.1	Very high	95.1	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.022	9%	0.089	C	C	.	.	S	Bend	trans	-63.1	-50.1	-172.2	-179.4	-106.2	0	0	0	112.4	N1129 K1131 S1132 H1201 S1260 L1261 S1262 Q1309 I1310	N1129-F1287 WeakPolarHBondContact ND2-CD1 3.33Å; N1129-F1287 WeakPolarHBondContact ND2-CE1 3.35Å; N1129-F1287 WeakPolarHBondContact OD1-CE1 3.21Å; K1131-F1287 HydrophobicContact CB-CE1 4.14Å; K1131-F1287 HydrophobicContact CB-CZ 4.23Å; S1132-F1287 VanDerWaalsContact CB-CE2 3.46Å; S1132-F1287 VanDerWaalsContact CB-CZ 3.48Å; S1132-F1287 WeakPolarHBondContact OG-CE2 3.34Å; S1132-F1287 WeakPolarHBondContact OG-CZ 3.37Å; H1201-F1287 AromaticContact CE1-CE2 3.77Å; H1201-F1287 AromaticContact NE2-CE2 3.89Å; S1260-F1287 WeakPolarHBondContact O-CB 3.25Å; S1260-F1287 PolarHBondContact O-N 3.2Å; L1261-F1287 VanDerWaalsContact O-CD1 3.31Å; L1261-F1287 WeakPolarHBondContact O-CD1 3.42Å; S1262-F1287 PolarHBondContact O-N 2.93Å; F1287-Q1309 VanDerWaalsContact CD2-OE1 3.3Å; F1287-Q1309 WeakPolarHBondContact O-CB 3.36Å; F1287-Q1309 PolarHBondContact O-N 3.18Å; F1287-I1310 HydrophobicContact CD1-CD1 4.24Å; F1287-I1310 HydrophobicContact CD1-CG1 4.42Å; F1287-I1310 HydrophobicContact CD2-CD1 4.16Å; F1287-I1310 HydrophobicContact CE1-CD1 3.6Å; F1287-I1310 HydrophobicContact CE1-CG1 4.21Å; F1287-I1310 HydrophobicContact CE1-CG2 4.43Å; F1287-I1310 HydrophobicContact CE2-CD1 3.51Å; F1287-I1310 HydrophobicContact CE2-CG1 4.43Å; F1287-I1310 HydrophobicContact CE2-CG2 3.95Å; F1287-I1310 HydrophobicContact CG-CD1 4.42Å; F1287-I1310 HydrophobicContact CZ-CD1 3.82Å; F1287-I1310 HydrophobicContact CZ-CG1 4.38Å; F1287-I1310 HydrophobicContact CZ-CG2 3.91Å; F1287-I1310 WeakPolarHBondContact O-CG1 3.36Å; F1287-I1310 PolarHBondContact O-N 3.23Å
1288	E	91.9	Very high	95	Very high	18.2 Å²	18.2	14.3 Å²	14.3	9%	0.085	7%	0.071	C	C	.	.	S	Bend	trans	-89.3	-112.9	178	-58.9	-159.8	-150.1	0	0	111.9	K1131 S1262 D1263 N1286 S1308 I1310 N1311	K1131-E1288 IonicContact NZ-OE1 2.83Å; K1131-E1288 PolarHBondContact NZ-OE1 3.11Å; K1131-E1288 IonicContact NZ-OE2 3.3Å; K1131-E1288 PolarHBondContact NZ-OE2 2.8Å; S1262-E1288 PolarHBondContact O-N 3.2Å; S1262-E1288 PolarHBondContact OG-OE1 3.19Å; D1263-E1288 VanDerWaalsContact OD1-CB 3.27Å; D1263-E1288 WeakPolarHBondContact OD1-CB 3.19Å; N1286-E1288 PolarHBondContact O-N 3Å; E1288-S1308 WeakPolarHBondContact O-CB 3.26Å; E1288-I1310 HydrophobicContact CB-CG1 4.43Å; E1288-I1310 HydrophobicContact CG-CD1 4.04Å; E1288-I1310 HydrophobicContact CG-CG1 4.16Å; E1288-N1311 PolarHBondContact OE2-ND2 2.9Å
1289	S	94.8	Very high	95	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.			trans	-94.5	144.7	176.1	-61.7	0	0	0	0	111.5	D1263 G1264 N1311 A1312 Q1315	D1263-S1289 CarbonylContact C-O 3.52Å; D1263-S1289 WeakPolarHBondContact CA-O 3.28Å; D1263-S1289 WeakPolarHBondContact OD1-CA 3.38Å; D1263-S1289 VanDerWaalsContact OD1-CB 3.28Å; D1263-S1289 WeakPolarHBondContact OD1-CB 3.22Å; D1263-S1289 PolarHBondContact OD1-N 2.93Å; D1263-S1289 PolarHBondContact OD1-OG 2.9Å; G1264-S1289 PolarHBondContact N-O 2.97Å; S1289-N1311 WeakPolarHBondContact OG-CB 3.25Å; S1289-N1311 PolarHBondContact OG-ND2 3.11Å; S1289-A1312 CarbonylContact C-O 3.54Å; S1289-A1312 WeakPolarHBondContact CA-O 3.28Å; S1289-A1312 VanDerWaalsContact CB-O 3.22Å; S1289-A1312 WeakPolarHBondContact CB-O 3.36Å; S1289-A1312 PolarHBondContact OG-N 3.06Å; S1289-A1312 PolarHBondContact OG-O 3.22Å; S1289-Q1315 PolarHBondContact OG-OE1 3.12Å; S1289-Q1315 VanDerWaalsContact OG-OE1 3.14Å
1290	G	95.2	Very high	95	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-63.1	-48.6	174.4	0	0	0	0	0	111.5	G1264 L1265 F1283 S1308 A1312 G1313	G1264-G1290 WeakPolarHBondContact CA-O 3.26Å; L1265-G1290 PolarHBondContact N-O 3.06Å; L1265-G1290 VanDerWaalsContact N-O 3.16Å; F1283-G1290 VanDerWaalsContact CD1-O 3.31Å; F1283-G1290 WeakPolarHBondContact CD1-O 3.33Å; G1290-S1308 PolarHBondContact N-OG 3.07Å; G1290-A1312 PolarHBondContact N-O 2.99Å; G1290-A1312 VanDerWaalsContact N-O 3.1Å; G1290-G1313 CarbonylContact C-O 3.47Å; G1290-G1313 VanDerWaalsContact CA-O 3.31Å; G1290-G1313 WeakPolarHBondContact CA-O 3.4Å; G1290-G1313 PolarHBondContact N-O 3.27Å; G1290-G1313 VanDerWaalsContact N-O 3.17Å
1291	L	97.3	Very high	95	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	125.1	174	-169.7	161.4	0	0	0	109.5	L1265 I1267 I1278 F1283 T1293 F1298 L1300 I1305 G1313 L1314 Q1315	L1265-L1291 HydrophobicContact CB-CG 4.34Å; L1265-L1291 HydrophobicContact CD2-CD1 4.06Å; L1265-L1291 HydrophobicContact CD2-CG 4.26Å; L1265-L1291 HydrophobicContact CG-CG 4.37Å; L1265-L1291 WeakPolarHBondContact O-CA 3.32Å; I1267-L1291 HydrophobicContact CD1-CD2 4.41Å; I1278-L1291 HydrophobicContact CD1-CD1 3.64Å; F1283-L1291 HydrophobicContact CE2-CD1 4.08Å; F1283-L1291 HydrophobicContact CZ-CD1 3.99Å; L1291-T1293 HydrophobicContact CD2-CG2 4.18Å; L1291-F1298 HydrophobicContact CD1-CE2 4.22Å; L1291-F1298 HydrophobicContact CD1-CZ 3.96Å; L1291-F1298 HydrophobicContact CD2-CE2 3.82Å; L1291-F1298 HydrophobicContact CD2-CZ 3.75Å; L1291-F1298 HydrophobicContact CG-CZ 4.43Å; L1291-L1300 HydrophobicContact CD1-CD1 4.07Å; L1291-I1305 HydrophobicContact CB-CD1 4.09Å; L1291-G1313 PolarHBondContact N-O 3.12Å; L1291-L1314 HydrophobicContact CB-CD1 4.24Å; L1291-L1314 HydrophobicContact CD2-CD1 3.63Å; L1291-L1314 HydrophobicContact CG-CD1 4.37Å; L1291-L1314 WeakPolarHBondContact O-CA 3.37Å; L1291-Q1315 PolarHBondContact O-N 2.98Å
1292	L	97	Very high	95	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.031	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124	173.6	164.1	62	0	0	0	109.8	L1265 V1266 I1267 Y1294 Q1315 N1317	L1265-L1292 PolarHBondContact O-N 3.09Å; V1266-L1292 CarbonylContact C-O 3.54Å; V1266-L1292 VanDerWaalsContact CA-O 3.24Å; V1266-L1292 WeakPolarHBondContact CA-O 3.35Å; V1266-L1292 HydrophobicContact CG2-CB 4.04Å; V1266-L1292 HydrophobicContact CG2-CD2 4.03Å; V1266-L1292 HydrophobicContact CG2-CG 4.21Å; I1267-L1292 PolarHBondContact N-O 3.12Å; L1292-Y1294 HydrophobicContact CD1-CD2 4.42Å; L1292-Y1294 HydrophobicContact CD1-CE2 4.1Å; L1292-Y1294 HydrophobicContact CD2-CE2 3.71Å; L1292-Y1294 HydrophobicContact CG-CD2 4.28Å; L1292-Y1294 HydrophobicContact CG-CE2 3.67Å; L1292-Q1315 CarbonylContact C-O 3.55Å; L1292-Q1315 WeakPolarHBondContact CA-O 3.31Å; L1292-Q1315 HydrophobicContact CB-CB 4.37Å; L1292-Q1315 HydrophobicContact CD1-CB 3.88Å; L1292-Q1315 HydrophobicContact CD1-CG 3.7Å; L1292-N1317 HydrophobicContact CD1-CB 3.97Å
1293	T	96.2	Very high	95	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136	175.3	179.1	0	0	0	0	111	L1291 T1295 F1298 Q1315 Y1316 N1317 F1560	L1291-T1293 HydrophobicContact CD2-CG2 4.18Å; T1293-T1295 WeakPolarHBondContact OG1-CG2 3.34Å; T1293-T1295 PolarHBondContact OG1-N 2.9Å; T1293-T1295 VanDerWaalsContact OG1-N 3.13Å; T1293-T1295 PolarHBondContact OG1-O 3.1Å; T1293-T1295 VanDerWaalsContact OG1-O 3.09Å; T1293-F1298 HydrophobicContact CG2-CD1 4.45Å; T1293-F1298 HydrophobicContact CG2-CD2 4.11Å; T1293-F1298 HydrophobicContact CG2-CE2 4.27Å; T1293-F1298 HydrophobicContact CG2-CG 4.24Å; T1293-F1298 HydrophobicContact CG2-CZ 4.45Å; T1293-Q1315 PolarHBondContact N-O 3.05Å; T1293-Y1316 HydrophobicContact CG2-CD2 4.33Å; T1293-Y1316 CarbonylContact O-C 3.55Å; T1293-Y1316 VanDerWaalsContact O-CA 3.28Å; T1293-Y1316 WeakPolarHBondContact O-CA 3.31Å; T1293-Y1316 WeakPolarHBondContact O-CD2 3.4Å; T1293-N1317 PolarHBondContact O-N 3.07Å; T1293-F1560 HydrophobicContact CG2-CE2 3.63Å; T1293-F1560 HydrophobicContact CG2-CZ 4.32Å
1294	Y	94.7	Very high	95.1	Very high	22.6 Å²	22.6	15.4 Å²	15.4	9%	0.089	8%	0.08	C	C	.	.	S	Bend	trans	-97.3	-10	173.8	-63.9	-104.8	0	0	0	110.3	V1266 I1267 L1268 L1292 Y1316 N1317 R1318 I1319 Q1324	V1266-Y1294 HydrophobicContact CG1-CD2 4.19Å; V1266-Y1294 HydrophobicContact CG1-CE2 3.76Å; I1267-Y1294 WeakPolarHBondContact O-CB 3.32Å; I1267-Y1294 WeakPolarHBondContact O-CD2 3.38Å; I1267-Y1294 PolarHBondContact O-N 3.23Å; L1268-Y1294 HydrophobicContact CD2-CD2 3.64Å; L1268-Y1294 HydrophobicContact CD2-CE2 3.7Å; L1268-Y1294 HydrophobicContact CD2-CG 4.14Å; L1268-Y1294 VanDerWaalsContact O-CB 3.27Å; L1268-Y1294 WeakPolarHBondContact O-CB 3.41Å; L1292-Y1294 HydrophobicContact CD1-CD2 4.42Å; L1292-Y1294 HydrophobicContact CD1-CE2 4.1Å; L1292-Y1294 HydrophobicContact CD2-CE2 3.71Å; L1292-Y1294 HydrophobicContact CG-CD2 4.28Å; L1292-Y1294 HydrophobicContact CG-CE2 3.67Å; Y1294-Y1316 WeakPolarHBondContact O-CE2 3.37Å; Y1294-N1317 WeakPolarHBondContact CA-O 3.39Å; Y1294-N1317 WeakPolarHBondContact CD1-O 3.28Å; Y1294-N1317 VanDerWaalsContact CE1-O 3.31Å; Y1294-N1317 WeakPolarHBondContact CE1-O 3.31Å; Y1294-N1317 VanDerWaalsContact CG-O 3.29Å; Y1294-R1318 VanDerWaalsContact O-CB 3.27Å; Y1294-R1318 WeakPolarHBondContact O-CB 3.24Å; Y1294-R1318 WeakPolarHBondContact O-CD 3.4Å; Y1294-R1318 WeakPolarHBondContact O-CG 3.34Å; Y1294-R1318 PolarHBondContact O-NE 3.28Å; Y1294-I1319 WeakPolarHBondContact CD1-O 3.32Å; Y1294-I1319 HydrophobicContact CE1-CG2 3.95Å; Y1294-I1319 WeakPolarHBondContact CE1-O 3.31Å; Y1294-Q1324 PolarHBondContact OH-NE2 2.97Å; Y1294-Q1324 VanDerWaalsContact OH-NE2 3.12Å
1295	T	92.8	Very high	95.2	Very high	1.6 Å²	1.6	14.3 Å²	14.3	1%	0.01	7%	0.073	C	C	.	.			trans	-104.2	136.2	-178.1	175.9	0	0	0	0	112	I1267 S1270 I1276 T1293 W1297	I1267-T1295 HydrophobicContact CB-CG2 4.42Å; I1267-T1295 HydrophobicContact CG2-CG2 3.6Å; S1270-T1295 PolarHBondContact N-OG1 3.02Å; S1270-T1295 WeakPolarHBondContact OG-CB 3.49Å; S1270-T1295 VanDerWaalsContact OG-CG2 3.3Å; S1270-T1295 WeakPolarHBondContact OG-CG2 3.4Å; S1270-T1295 PolarHBondContact OG-OG1 3.06Å; I1276-T1295 HydrophobicContact CG2-CG2 4.44Å; T1293-T1295 WeakPolarHBondContact OG1-CG2 3.34Å; T1293-T1295 PolarHBondContact OG1-N 2.9Å; T1293-T1295 VanDerWaalsContact OG1-N 3.13Å; T1293-T1295 PolarHBondContact OG1-O 3.1Å; T1293-T1295 VanDerWaalsContact OG1-O 3.09Å; T1295-W1297 VanDerWaalsContact C-N 3.29Å; T1295-W1297 VanDerWaalsContact OG1-CE3 3.3Å; T1295-W1297 PolarHBondContact OG1-N 3.23Å; T1295-W1297 VanDerWaalsContact OG1-N 3.11Å
1296	P	91.9	Very high	95.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.068	C	C	.	.	S	Bend	trans	-84.1	-9.6	174.8	36	-37	0	0	0	113.2	F1298 Y1316 R1318 P1558 K1559 F1560	P1296-F1298 VanDerWaalsContact C-N 3.25Å; P1296-F1298 PolarHBondContact O-N 2.96Å; P1296-Y1316 HydrophobicContact CB-CE2 4.16Å; P1296-R1318 VanDerWaalsContact CB-NH2 3.27Å; P1296-R1318 VanDerWaalsContact CD-NE 3.3Å; P1296-P1558 HydrophobicContact CB-CB 3.66Å; P1296-P1558 HydrophobicContact CB-CG 4.4Å; P1296-P1558 HydrophobicContact CG-CB 3.59Å; P1296-P1558 HydrophobicContact CG-CG 4.04Å; P1296-K1559 CarbonylContact O-C 3.57Å; P1296-K1559 VanDerWaalsContact O-O 3.05Å; P1296-F1560 WeakPolarHBondContact O-CA 3.36Å; P1296-F1560 PolarHBondContact O-N 3.09Å
1297	W	92.6	Very high	95.3	Very high	18.2 Å²	18.2	18 Å²	18	7%	0.069	9%	0.088	C	C	.	.	S	Bend	trans	-83	66	176.9	-56	-93.4	0	0	0	110.5	S1270 P1272 G1275 I1276 T1295 P1501 P1558	S1270-W1297 WeakPolarHBondContact OG-CB 3.43Å; S1270-W1297 PolarHBondContact OG-O 3.03Å; S1270-W1297 VanDerWaalsContact OG-O 3.12Å; P1272-W1297 HydrophobicContact CB-CD2 4.02Å; P1272-W1297 VanDerWaalsContact CB-CE2 3.48Å; P1272-W1297 HydrophobicContact CB-CE3 4.35Å; P1272-W1297 HydrophobicContact CB-CG 4.36Å; P1272-W1297 HydrophobicContact CB-CH2 4.33Å; P1272-W1297 HydrophobicContact CB-CZ2 3.99Å; P1272-W1297 HydrophobicContact CB-CZ3 4.49Å; P1272-W1297 HydrophobicContact CG-CD2 4.28Å; P1272-W1297 HydrophobicContact CG-CE3 4.11Å; P1272-W1297 HydrophobicContact CG-CH2 4.18Å; P1272-W1297 HydrophobicContact CG-CZ2 4.05Å; P1272-W1297 HydrophobicContact CG-CZ3 4.02Å; P1272-W1297 VanDerWaalsContact O-CD1 3.27Å; P1272-W1297 PolarHBondContact O-NE1 3.25Å; G1275-W1297 CarbonylContact C-O 3.57Å; G1275-W1297 VanDerWaalsContact CA-O 3.25Å; G1275-W1297 WeakPolarHBondContact CA-O 3.35Å; I1276-W1297 PolarHBondContact N-O 3.09Å; T1295-W1297 VanDerWaalsContact C-N 3.29Å; T1295-W1297 VanDerWaalsContact OG1-CE3 3.3Å; T1295-W1297 PolarHBondContact OG1-N 3.23Å; T1295-W1297 VanDerWaalsContact OG1-N 3.11Å; W1297-P1501 HydrophobicContact CH2-CG 4.3Å; W1297-P1501 VanDerWaalsContact CZ2-CD 3.42Å; W1297-P1501 HydrophobicContact CZ2-CG 4.14Å; W1297-P1558 HydrophobicContact CD2-CB 4.15Å; W1297-P1558 HydrophobicContact CG-CB 4.29Å; W1297-P1558 HydrophobicContact CZ2-CB 4.23Å; W1297-P1558 HydrophobicContact CZ2-CG 4.25Å
1298	F	94.4	Very high	95.2	Very high	1.6 Å²	1.6	17.9 Å²	17.9	1%	0.007	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.8	-161.1	174.9	-94.6	0	0	0	111.7	I1267 I1276 I1278 L1291 T1293 P1296 L1300 L1314 K1559 F1560 Y1561 V1562	I1267-F1298 HydrophobicContact CD1-CD2 4.17Å; I1267-F1298 HydrophobicContact CD1-CE2 3.9Å; I1276-F1298 HydrophobicContact CG2-CB 4.36Å; I1276-F1298 HydrophobicContact CG2-CD2 3.7Å; I1276-F1298 HydrophobicContact CG2-CE2 4.46Å; I1276-F1298 HydrophobicContact CG2-CG 4.45Å; I1278-F1298 HydrophobicContact CD1-CE2 3.74Å; I1278-F1298 HydrophobicContact CD1-CZ 4.29Å; L1291-F1298 HydrophobicContact CD1-CE2 4.22Å; L1291-F1298 HydrophobicContact CD1-CZ 3.96Å; L1291-F1298 HydrophobicContact CD2-CE2 3.82Å; L1291-F1298 HydrophobicContact CD2-CZ 3.75Å; L1291-F1298 HydrophobicContact CG-CZ 4.43Å; T1293-F1298 HydrophobicContact CG2-CD1 4.45Å; T1293-F1298 HydrophobicContact CG2-CD2 4.11Å; T1293-F1298 HydrophobicContact CG2-CE2 4.27Å; T1293-F1298 HydrophobicContact CG2-CG 4.24Å; T1293-F1298 HydrophobicContact CG2-CZ 4.45Å; P1296-F1298 VanDerWaalsContact C-N 3.25Å; P1296-F1298 PolarHBondContact O-N 2.96Å; F1298-L1300 HydrophobicContact CE1-CB 3.62Å; F1298-L1300 HydrophobicContact CE1-CD2 4.48Å; F1298-L1300 HydrophobicContact CZ-CB 3.78Å; F1298-L1300 HydrophobicContact CZ-CD1 4.32Å; F1298-L1300 HydrophobicContact CZ-CD2 4.4Å; F1298-L1300 HydrophobicContact CZ-CG 4.4Å; F1298-L1314 HydrophobicContact CE1-CD1 4.3Å; F1298-L1314 HydrophobicContact CZ-CD1 4.25Å; F1298-K1559 PolarHBondContact N-O 3.22Å; F1298-F1560 HydrophobicContact CB-CD2 3.97Å; F1298-F1560 HydrophobicContact CB-CE2 4.28Å; F1298-F1560 HydrophobicContact CD1-CD1 4.37Å; F1298-F1560 AromaticContact CD1-CD2 3.76Å; F1298-F1560 HydrophobicContact CD1-CD2 3.76Å; F1298-F1560 AromaticContact CD1-CE1 3.99Å; F1298-F1560 HydrophobicContact CD1-CE1 4.1Å; F1298-F1560 AromaticContact CD1-CE2 3.46Å; F1298-F1560 HydrophobicContact CD1-CE2 3.46Å; F1298-F1560 VanDerWaalsContact CD1-CE2 3.44Å; F1298-F1560 HydrophobicContact CD1-CG 4.21Å; F1298-F1560 AromaticContact CD1-CZ 3.64Å; F1298-F1560 HydrophobicContact CD1-CZ 3.64Å; F1298-F1560 HydrophobicContact CE1-CE1 4.27Å; F1298-F1560 AromaticContact CE1-CE2 3.98Å; F1298-F1560 HydrophobicContact CE1-CE2 3.99Å; F1298-F1560 AromaticContact CE1-CZ 3.76Å; F1298-F1560 HydrophobicContact CE1-CZ 3.76Å; F1298-F1560 HydrophobicContact CG-CD2 4.19Å; F1298-F1560 AromaticContact CG-CE2 3.98Å; F1298-F1560 HydrophobicContact CG-CE2 4.03Å; F1298-F1560 HydrophobicContact CG-CZ 4.49Å; F1298-F1560 CarbonylContact O-C 3.58Å; F1298-F1560 WeakPolarHBondContact O-CA 3.46Å; F1298-Y1561 PolarHBondContact O-N 3.11Å; F1298-V1562 HydrophobicContact CE1-CG2 4.47Å
1299	S	96.4	Very high	94.9	Very high	27 Å²	27	19 Å²	19	19%	0.189	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.3	172.7	-21.9	0	0	0	0	112.3	I1276 K1277 I1278 Y1561	I1276-S1299 PolarHBondContact O-N 3.17Å; I1276-S1299 PolarHBondContact O-OG 3.06Å; I1276-S1299 VanDerWaalsContact O-OG 3.06Å; K1277-S1299 CarbonylContact C-O 3.49Å; K1277-S1299 WeakPolarHBondContact CA-O 3.29Å; K1277-S1299 VanDerWaalsContact CA-OG 3.28Å; K1277-S1299 WeakPolarHBondContact CA-OG 3.22Å; K1277-S1299 VanDerWaalsContact CB-OG 3.28Å; K1277-S1299 WeakPolarHBondContact CB-OG 3.28Å; K1277-S1299 VanDerWaalsContact CG-OG 3.26Å; K1277-S1299 WeakPolarHBondContact CG-OG 3.3Å; I1278-S1299 PolarHBondContact N-O 3.13Å; S1299-Y1561 CarbonylContact C-O 3.49Å; S1299-Y1561 VanDerWaalsContact CA-O 3.25Å; S1299-Y1561 WeakPolarHBondContact CA-O 3.32Å
1300	L	97.5	Very high	94.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116	179.6	-174.2	69.3	0	0	0	109.9	I1278 L1291 F1298 C1303 I1305 L1314 Y1561 V1562 E1563 T1565	I1278-L1300 HydrophobicContact CB-CD1 3.79Å; I1278-L1300 HydrophobicContact CD1-CD1 4.46Å; I1278-L1300 HydrophobicContact CG2-CD1 3.77Å; I1278-L1300 WeakPolarHBondContact O-CA 3.38Å; L1291-L1300 HydrophobicContact CD1-CD1 4.07Å; F1298-L1300 HydrophobicContact CE1-CB 3.62Å; F1298-L1300 HydrophobicContact CE1-CD2 4.48Å; F1298-L1300 HydrophobicContact CZ-CB 3.78Å; F1298-L1300 HydrophobicContact CZ-CD1 4.32Å; F1298-L1300 HydrophobicContact CZ-CD2 4.4Å; F1298-L1300 HydrophobicContact CZ-CG 4.4Å; L1300-C1303 HydrophobicContact CD1-CB 3.71Å; L1300-C1303 WeakPolarHBondContact CD1-SG 3.35Å; L1300-C1303 HydrophobicContact CD2-CB 4.47Å; L1300-C1303 HydrophobicContact CG-CB 3.94Å; L1300-I1305 HydrophobicContact CD2-CD1 4.17Å; L1300-L1314 HydrophobicContact CD2-CD1 4.45Å; L1300-L1314 HydrophobicContact CD2-CD2 4.16Å; L1300-Y1561 PolarHBondContact N-O 3.2Å; L1300-V1562 HydrophobicContact CB-CG1 4.39Å; L1300-V1562 HydrophobicContact CB-CG2 4.33Å; L1300-V1562 HydrophobicContact CD2-CG1 4.24Å; L1300-V1562 CarbonylContact O-C 3.52Å; L1300-V1562 WeakPolarHBondContact O-CA 3.31Å; L1300-E1563 PolarHBondContact O-N 2.84Å; L1300-T1565 HydrophobicContact CD2-CG2 3.93Å; L1300-T1565 HydrophobicContact CG-CG2 4.41Å
1301	I	98.2	Very high	94	Very high	21.4 Å²	21.4	22.5 Å²	22.5	11%	0.11	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.7	-169.9	-54.3	-177.3	0	0	0	110.6	K1277 I1278 I1279 N1280 C1303 Y1561 E1563	K1277-I1301 VanDerWaalsContact CE-CD1 3.41Å; I1278-I1301 PolarHBondContact O-N 3.11Å; I1279-I1301 VanDerWaalsContact CA-O 3.29Å; I1279-I1301 WeakPolarHBondContact CA-O 3.37Å; I1279-I1301 HydrophobicContact CG1-CB 4.42Å; I1279-I1301 HydrophobicContact CG2-CB 4.39Å; I1279-I1301 HydrophobicContact CG2-CG2 4.44Å; N1280-I1301 PolarHBondContact N-O 3.14Å; N1280-I1301 VanDerWaalsContact N-O 3.09Å; I1301-C1303 VanDerWaalsContact C-N 3.26Å; I1301-C1303 PolarHBondContact O-N 3.15Å; I1301-C1303 PolarHBondContact O-SG 2.92Å; I1301-C1303 VanDerWaalsContact O-SG 3.33Å; I1301-Y1561 HydrophobicContact CD1-CD1 4.36Å; I1301-Y1561 HydrophobicContact CD1-CE1 4.21Å; I1301-Y1561 HydrophobicContact CG1-CD1 4.45Å; I1301-Y1561 HydrophobicContact CG1-CE1 4.44Å; I1301-E1563 WeakPolarHBondContact CA-O 3.35Å; I1301-E1563 HydrophobicContact CB-CB 4.5Å; I1301-E1563 HydrophobicContact CG1-CB 4.24Å; I1301-E1563 HydrophobicContact CG2-CB 4.39Å
1302	N	98.1	Very high	93.8	Very high	74.8 Å²	74.8	22.5 Å²	22.5	40%	0.4	11%	0.111	S	C	.	.	S	Bend	trans	54.1	38.4	177.2	-60	-19.9	0	0	0	113.2	N1280 E1563 N1564	N1280-N1302 VanDerWaalsContact CA-O 3.29Å; N1280-N1302 WeakPolarHBondContact CA-O 3.28Å; N1280-N1302 VanDerWaalsContact OD1-CB 3.28Å; N1280-N1302 WeakPolarHBondContact OD1-CB 3.32Å; N1280-N1302 PolarHBondContact OD1-ND2 3.08Å; N1302-E1563 PolarHBondContact N-O 2.98Å; N1302-E1563 VanDerWaalsContact N-O 3.1Å; N1302-N1564 VanDerWaalsContact CA-O 3.32Å; N1302-N1564 WeakPolarHBondContact CA-O 3.33Å; N1302-N1564 VanDerWaalsContact OD1-CB 3.26Å; N1302-N1564 WeakPolarHBondContact OD1-CB 3.27Å; N1302-N1564 PolarHBondContact OD1-ND2 3.03Å
1303	C	98.1	Very high	93.7	Very high	4.8 Å²	4.8	22.2 Å²	22.2	3%	0.032	11%	0.11	C	C	.	.			trans	-104.5	162.2	-176.1	-69.7	0	0	0	0	112.4	S1281 L1300 I1301 T1565 R1566	S1281-C1303 PolarHBondContact N-SG 3.02Å; S1281-C1303 VanDerWaalsContact N-SG 3.38Å; S1281-C1303 CarbonylContact O-C 3.54Å; S1281-C1303 VanDerWaalsContact O-CA 3.24Å; S1281-C1303 WeakPolarHBondContact O-CA 3.36Å; S1281-C1303 VanDerWaalsContact O-CB 3.31Å; S1281-C1303 WeakPolarHBondContact O-CB 3.4Å; L1300-C1303 HydrophobicContact CD1-CB 3.71Å; L1300-C1303 WeakPolarHBondContact CD1-SG 3.35Å; L1300-C1303 HydrophobicContact CD2-CB 4.47Å; L1300-C1303 HydrophobicContact CG-CB 3.94Å; I1301-C1303 VanDerWaalsContact C-N 3.26Å; I1301-C1303 PolarHBondContact O-N 3.15Å; I1301-C1303 PolarHBondContact O-SG 2.92Å; I1301-C1303 VanDerWaalsContact O-SG 3.33Å; C1303-T1565 HydrophobicContact CB-CG2 4.09Å; C1303-T1565 PolarHBondContact N-OG1 3.05Å; C1303-T1565 CarbonylContact O-C 3.53Å; C1303-T1565 VanDerWaalsContact O-CA 3.29Å; C1303-T1565 WeakPolarHBondContact O-CA 3.35Å; C1303-T1565 WeakPolarHBondContact O-CG2 3.29Å; C1303-R1566 PolarHBondContact O-N 3.05Å
1304	Q	97.6	Very high	93.8	Very high	67.8 Å²	67.8	22.2 Å²	22.2	32%	0.317	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122.2	174.8	178.2	176.1	0	0	0	110	S1281 Q1282 F1283 T1306 R1566	S1281-Q1304 PolarHBondContact O-N 2.75Å; Q1282-Q1304 CarbonylContact C-O 3.39Å; Q1282-Q1304 VanDerWaalsContact CA-O 3.31Å; Q1282-Q1304 WeakPolarHBondContact CA-O 3.24Å; Q1282-Q1304 HydrophobicContact CG-CB 4.42Å; F1283-Q1304 PolarHBondContact N-O 3.02Å; Q1304-T1306 HydrophobicContact CG-CG2 3.76Å; Q1304-R1566 WeakPolarHBondContact CA-O 3.24Å; Q1304-R1566 HydrophobicContact CG-CB 4.49Å
1305	I	97.5	Very high	93.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.1	176.5	-52.4	179	0	0	0	109.3	F1283 L1291 L1300 G1313 L1314 R1566 L1567 E1568 N1570	F1283-I1305 HydrophobicContact CB-CB 4.44Å; F1283-I1305 HydrophobicContact CB-CG1 4.19Å; F1283-I1305 HydrophobicContact CB-CG2 4.13Å; F1283-I1305 HydrophobicContact CD2-CD1 4.31Å; F1283-I1305 HydrophobicContact CD2-CG1 3.83Å; F1283-I1305 HydrophobicContact CG-CG1 4.39Å; F1283-I1305 CarbonylContact O-C 3.57Å; F1283-I1305 VanDerWaalsContact O-CA 3.31Å; F1283-I1305 WeakPolarHBondContact O-CA 3.38Å; L1291-I1305 HydrophobicContact CB-CD1 4.09Å; L1300-I1305 HydrophobicContact CD2-CD1 4.17Å; I1305-G1313 VanDerWaalsContact CG2-CA 3.45Å; I1305-G1313 WeakPolarHBondContact CG2-O 3.25Å; I1305-L1314 HydrophobicContact CD1-CB 4.28Å; I1305-R1566 PolarHBondContact N-O 2.97Å; I1305-L1567 HydrophobicContact CB-CD2 4.02Å; I1305-L1567 HydrophobicContact CD1-CD2 4.05Å; I1305-L1567 HydrophobicContact CG1-CD2 4.39Å; I1305-L1567 HydrophobicContact CG2-CD2 4.47Å; I1305-L1567 VanDerWaalsContact O-CA 3.31Å; I1305-L1567 WeakPolarHBondContact O-CA 3.33Å; I1305-E1568 PolarHBondContact O-N 2.96Å; I1305-N1570 PolarHBondContact O-ND2 3.12Å; I1305-N1570 VanDerWaalsContact O-ND2 3.12Å
1306	T	95.7	Very high	94.1	Very high	10.6 Å²	10.6	21.5 Å²	21.5	7%	0.065	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.4	-174.1	62.3	0	0	0	0	114.3	F1283 T1284 D1285 Q1304 S1308 E1568 N1570	F1283-T1306 PolarHBondContact O-N 3.08Å; T1284-T1306 CarbonylContact C-O 3.57Å; T1284-T1306 VanDerWaalsContact CA-O 3.3Å; T1284-T1306 WeakPolarHBondContact CA-O 3.36Å; T1284-T1306 VanDerWaalsContact CG2-OG1 3.3Å; T1284-T1306 WeakPolarHBondContact CG2-OG1 3.37Å; D1285-T1306 PolarHBondContact N-O 2.83Å; Q1304-T1306 HydrophobicContact CG-CG2 3.76Å; T1306-S1308 VanDerWaalsContact C-N 3.32Å; T1306-S1308 PolarHBondContact O-N 2.98Å; T1306-E1568 WeakPolarHBondContact CA-O 3.24Å; T1306-E1568 VanDerWaalsContact CB-O 3.32Å; T1306-E1568 WeakPolarHBondContact CB-O 3.45Å; T1306-E1568 HydrophobicContact CG2-CB 4.01Å; T1306-N1570 VanDerWaalsContact C-OD1 3.29Å; T1306-N1570 WeakPolarHBondContact CA-OD1 3.47Å
1307	K	91.6	Very high	94.2	Very high	97.4 Å²	97.4	22.4 Å²	22.4	42%	0.423	11%	0.112	S	C	.	.			trans	60.3	36.7	172.6	-53.8	179.1	-179.8	-179.3	0	114.8	D1285 Q1309 E1568 N1569 N1570	D1285-K1307 WeakPolarHBondContact CA-O 3.35Å; D1285-K1307 HydrophobicContact CB-CB 4.3Å; D1285-K1307 VanDerWaalsContact CG-CD 3.43Å; D1285-K1307 VanDerWaalsContact OD1-CB 3.22Å; D1285-K1307 WeakPolarHBondContact OD1-CB 3.37Å; D1285-K1307 WeakPolarHBondContact OD1-CD 3.18Å; D1285-K1307 IonicContact OD1-NZ 3.65Å; D1285-K1307 PolarHBondContact OD1-NZ 2.71Å; D1285-K1307 WeakPolarHBondContact OD2-CD 3.47Å; D1285-K1307 IonicContact OD2-NZ 3.45Å; D1285-K1307 PolarHBondContact OD2-NZ 2.86Å; K1307-Q1309 PolarHBondContact O-N 2.96Å; K1307-E1568 PolarHBondContact N-O 3.02Å; K1307-E1568 VanDerWaalsContact N-O 3.12Å; K1307-N1569 VanDerWaalsContact CA-O 3.27Å; K1307-N1569 WeakPolarHBondContact CA-O 3.31Å; K1307-N1569 HydrophobicContact CG-CB 4.15Å; K1307-N1569 PolarHBondContact N-O 3.31Å; K1307-N1570 PolarHBondContact N-OD1 3.06Å; K1307-N1570 VanDerWaalsContact N-OD1 3.15Å
1308	S	90.6	Very high	94.1	Very high	2.2 Å²	2.2	22 Å²	22	2%	0.015	11%	0.111	C	C	.	.			trans	-69.7	120.9	167.9	-51	0	0	0	0	109.5	N1286 E1288 G1290 T1306 A1312 N1570 L1571	N1286-S1308 VanDerWaalsContact O-CA 3.31Å; N1286-S1308 WeakPolarHBondContact O-CA 3.32Å; E1288-S1308 WeakPolarHBondContact O-CB 3.26Å; G1290-S1308 PolarHBondContact N-OG 3.07Å; T1306-S1308 VanDerWaalsContact C-N 3.32Å; T1306-S1308 PolarHBondContact O-N 2.98Å; S1308-A1312 WeakPolarHBondContact CB-O 3.2Å; S1308-A1312 PolarHBondContact OG-O 3.03Å; S1308-N1570 VanDerWaalsContact CB-OD1 3.28Å; S1308-N1570 WeakPolarHBondContact CB-OD1 3.29Å; S1308-N1570 PolarHBondContact N-OD1 3.15Å; S1308-N1570 WeakPolarHBondContact O-CA 3.08Å; S1308-N1570 PolarHBondContact OG-OD1 2.98Å; S1308-L1571 PolarHBondContact O-N 3.03Å; S1308-L1571 VanDerWaalsContact O-N 3.08Å
1309	Q	83.9	Confident	93.8	Very high	42 Å²	42	23.3 Å²	23.3	20%	0.196	12%	0.117	C	C	.	.			trans	-81.4	-51	-159.9	-58.9	-179	9.7	0	0	113.9	N1078 N1079 D1285 N1286 F1287 K1307	N1078-Q1309 PolarHBondContact O-NE2 3.48Å; N1078-Q1309 VanDerWaalsContact O-NE2 3.17Å; N1079-Q1309 PolarHBondContact ND2-OE1 2.95Å; N1079-Q1309 PolarHBondContact OD1-OE1 3.13Å; D1285-Q1309 PolarHBondContact OD1-NE2 2.82Å; N1286-Q1309 PolarHBondContact O-N 2.97Å; N1286-Q1309 VanDerWaalsContact O-N 3.13Å; F1287-Q1309 VanDerWaalsContact CD2-OE1 3.3Å; F1287-Q1309 WeakPolarHBondContact O-CB 3.36Å; F1287-Q1309 PolarHBondContact O-N 3.18Å; K1307-Q1309 PolarHBondContact O-N 2.96Å
1310	I	84.2	Confident	93.3	Very high	45.2 Å²	45.2	22.3 Å²	22.3	23%	0.232	11%	0.11	C	C	.	.	S	Bend	trans	-109.5	-13.6	-170.9	58.7	163.1	0	0	0	114.9	K1131 F1287 E1288 L1571	K1131-I1310 HydrophobicContact CB-CD1 3.94Å; K1131-I1310 HydrophobicContact CD-CD1 3.76Å; K1131-I1310 HydrophobicContact CG-CD1 4.37Å; F1287-I1310 HydrophobicContact CD1-CD1 4.24Å; F1287-I1310 HydrophobicContact CD1-CG1 4.42Å; F1287-I1310 HydrophobicContact CD2-CD1 4.16Å; F1287-I1310 HydrophobicContact CE1-CD1 3.6Å; F1287-I1310 HydrophobicContact CE1-CG1 4.21Å; F1287-I1310 HydrophobicContact CE1-CG2 4.43Å; F1287-I1310 HydrophobicContact CE2-CD1 3.51Å; F1287-I1310 HydrophobicContact CE2-CG1 4.43Å; F1287-I1310 HydrophobicContact CE2-CG2 3.95Å; F1287-I1310 HydrophobicContact CG-CD1 4.42Å; F1287-I1310 HydrophobicContact CZ-CD1 3.82Å; F1287-I1310 HydrophobicContact CZ-CG1 4.38Å; F1287-I1310 HydrophobicContact CZ-CG2 3.91Å; F1287-I1310 WeakPolarHBondContact O-CG1 3.36Å; F1287-I1310 PolarHBondContact O-N 3.23Å; E1288-I1310 HydrophobicContact CB-CG1 4.43Å; E1288-I1310 HydrophobicContact CG-CD1 4.04Å; E1288-I1310 HydrophobicContact CG-CG1 4.16Å; I1310-L1571 VanDerWaalsContact C-CD2 3.46Å; I1310-L1571 WeakPolarHBondContact O-CD2 3.29Å
1311	N	87.6	Confident	92.8	Very high	27.4 Å²	27.4	24.1 Å²	24.1	15%	0.147	12%	0.121	C	C	.	.	S	Bend	trans	-130.6	-117	-176.1	-144.7	-8.8	0	0	0	112.6	E1288 S1289 Q1315 L1571 I1572 K1575	E1288-N1311 PolarHBondContact OE2-ND2 2.9Å; S1289-N1311 WeakPolarHBondContact OG-CB 3.25Å; S1289-N1311 PolarHBondContact OG-ND2 3.11Å; N1311-Q1315 PolarHBondContact ND2-OE1 3.13Å; N1311-L1571 WeakPolarHBondContact O-CB 3.32Å; N1311-I1572 PolarHBondContact O-N 3.13Å; N1311-I1572 VanDerWaalsContact O-N 3.16Å; N1311-K1575 WeakPolarHBondContact OD1-CD 3.23Å; N1311-K1575 PolarHBondContact OD1-NZ 2.81Å; N1311-K1575 VanDerWaalsContact OD1-NZ 3.11Å
1312	A	93.2	Very high	91.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.2	-174.6	0	0	0	0	0	113	S1289 G1290 S1308 Q1315 I1572 K1575	S1289-A1312 CarbonylContact C-O 3.54Å; S1289-A1312 WeakPolarHBondContact CA-O 3.28Å; S1289-A1312 VanDerWaalsContact CB-O 3.22Å; S1289-A1312 WeakPolarHBondContact CB-O 3.36Å; S1289-A1312 PolarHBondContact OG-N 3.06Å; S1289-A1312 PolarHBondContact OG-O 3.22Å; G1290-A1312 PolarHBondContact N-O 2.99Å; G1290-A1312 VanDerWaalsContact N-O 3.1Å; S1308-A1312 WeakPolarHBondContact CB-O 3.2Å; S1308-A1312 PolarHBondContact OG-O 3.03Å; A1312-Q1315 HydrophobicContact CB-CB 4.44Å; A1312-I1572 CarbonylContact C-O 3.57Å; A1312-I1572 VanDerWaalsContact CA-O 3.23Å; A1312-I1572 WeakPolarHBondContact CA-O 3.33Å; A1312-I1572 HydrophobicContact CB-CB 4.07Å; A1312-I1572 HydrophobicContact CB-CG2 4.37Å; A1312-K1575 HydrophobicContact CB-CB 3.61Å; A1312-K1575 HydrophobicContact CB-CD 4.43Å
1313	G	95.4	Very high	90.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	-62.1	168.4	0	0	0	0	0	110.6	G1290 L1291 I1305 I1572 G1573	G1290-G1313 CarbonylContact C-O 3.47Å; G1290-G1313 VanDerWaalsContact CA-O 3.31Å; G1290-G1313 WeakPolarHBondContact CA-O 3.4Å; G1290-G1313 PolarHBondContact N-O 3.27Å; G1290-G1313 VanDerWaalsContact N-O 3.17Å; L1291-G1313 PolarHBondContact N-O 3.12Å; I1305-G1313 VanDerWaalsContact CG2-CA 3.45Å; I1305-G1313 WeakPolarHBondContact CG2-O 3.25Å; G1313-I1572 PolarHBondContact N-O 3.25Å; G1313-G1573 WeakPolarHBondContact CA-O 3.38Å; G1313-G1573 PolarHBondContact N-O 3.22Å; G1313-G1573 VanDerWaalsContact N-O 3.14Å
1314	L	97.5	Very high	90.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.9	175.3	175.9	61	0	0	0	110.3	L1291 F1298 L1300 I1305 F1560 V1562 L1567 G1573 V1574 K1575 F1600	L1291-L1314 HydrophobicContact CB-CD1 4.24Å; L1291-L1314 HydrophobicContact CD2-CD1 3.63Å; L1291-L1314 HydrophobicContact CG-CD1 4.37Å; L1291-L1314 WeakPolarHBondContact O-CA 3.37Å; F1298-L1314 HydrophobicContact CE1-CD1 4.3Å; F1298-L1314 HydrophobicContact CZ-CD1 4.25Å; L1300-L1314 HydrophobicContact CD2-CD1 4.45Å; L1300-L1314 HydrophobicContact CD2-CD2 4.16Å; I1305-L1314 HydrophobicContact CD1-CB 4.28Å; L1314-F1560 HydrophobicContact CD1-CZ 4.32Å; L1314-F1560 HydrophobicContact CD2-CE1 4.11Å; L1314-F1560 HydrophobicContact CD2-CZ 3.97Å; L1314-F1560 HydrophobicContact CG-CZ 4.32Å; L1314-V1562 HydrophobicContact CD2-CG2 3.82Å; L1314-L1567 HydrophobicContact CB-CD2 3.8Å; L1314-G1573 PolarHBondContact N-O 3.06Å; L1314-V1574 HydrophobicContact CB-CG1 4.35Å; L1314-V1574 HydrophobicContact CB-CG2 4.4Å; L1314-V1574 HydrophobicContact CD2-CG1 4.35Å; L1314-V1574 HydrophobicContact CG-CG1 4.38Å; L1314-V1574 CarbonylContact O-C 3.5Å; L1314-V1574 VanDerWaalsContact O-CA 3.28Å; L1314-V1574 WeakPolarHBondContact O-CA 3.28Å; L1314-K1575 PolarHBondContact O-N 3.35Å; L1314-F1600 HydrophobicContact CD2-CE1 4.4Å
1315	Q	96.7	Very high	89.6	Confident	8.8 Å²	8.8	27.9 Å²	27.9	4%	0.041	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.2	176.9	-170.8	177.4	-10.5	0	0	111.4	S1289 L1291 L1292 T1293 N1311 A1312 N1317 K1575 Y1577	S1289-Q1315 PolarHBondContact OG-OE1 3.12Å; S1289-Q1315 VanDerWaalsContact OG-OE1 3.14Å; L1291-Q1315 PolarHBondContact O-N 2.98Å; L1292-Q1315 CarbonylContact C-O 3.55Å; L1292-Q1315 WeakPolarHBondContact CA-O 3.31Å; L1292-Q1315 HydrophobicContact CB-CB 4.37Å; L1292-Q1315 HydrophobicContact CD1-CB 3.88Å; L1292-Q1315 HydrophobicContact CD1-CG 3.7Å; T1293-Q1315 PolarHBondContact N-O 3.05Å; N1311-Q1315 PolarHBondContact ND2-OE1 3.13Å; A1312-Q1315 HydrophobicContact CB-CB 4.44Å; Q1315-N1317 HydrophobicContact CG-CB 4.22Å; Q1315-K1575 CarbonylContact C-O 3.49Å; Q1315-K1575 VanDerWaalsContact CA-O 3.24Å; Q1315-K1575 WeakPolarHBondContact CA-O 3.29Å; Q1315-K1575 HydrophobicContact CG-CB 4.45Å; Q1315-Y1577 HydrophobicContact CG-CE2 4.3Å
1316	Y	96.3	Very high	88.6	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.2	164.9	172.1	-111.4	0	0	0	108.7	T1293 Y1294 P1296 R1318 F1560 K1575 L1576 Y1577 H1578 E1596 F1598	T1293-Y1316 HydrophobicContact CG2-CD2 4.33Å; T1293-Y1316 CarbonylContact O-C 3.55Å; T1293-Y1316 VanDerWaalsContact O-CA 3.28Å; T1293-Y1316 WeakPolarHBondContact O-CA 3.31Å; T1293-Y1316 WeakPolarHBondContact O-CD2 3.4Å; Y1294-Y1316 WeakPolarHBondContact O-CE2 3.37Å; P1296-Y1316 HydrophobicContact CB-CE2 4.16Å; Y1316-R1318 HydrophobicContact CD2-CG 4.49Å; Y1316-R1318 HydrophobicContact CE1-CG 4.3Å; Y1316-R1318 HydrophobicContact CE2-CB 4.27Å; Y1316-R1318 HydrophobicContact CE2-CG 3.6Å; Y1316-R1318 WeakPolarHBondContact OH-CD 3.34Å; Y1316-R1318 WeakPolarHBondContact OH-CG 3.25Å; Y1316-R1318 PolarHBondContact OH-NE 2.96Å; Y1316-R1318 PolarHBondContact OH-NH2 2.85Å; Y1316-R1318 VanDerWaalsContact OH-NH2 3.08Å; Y1316-F1560 HydrophobicContact CD2-CD2 4.37Å; Y1316-F1560 HydrophobicContact CD2-CE2 4.22Å; Y1316-F1560 HydrophobicContact CG-CE2 4.38Å; Y1316-K1575 PolarHBondContact N-O 2.83Å; Y1316-L1576 VanDerWaalsContact CB-CD2 3.44Å; Y1316-L1576 HydrophobicContact CD1-CB 4.4Å; Y1316-L1576 HydrophobicContact CD1-CD2 4.43Å; Y1316-L1576 HydrophobicContact CG-CD2 4.42Å; Y1316-L1576 WeakPolarHBondContact O-CA 3.48Å; Y1316-Y1577 WeakPolarHBondContact CD1-O 2.94Å; Y1316-Y1577 WeakPolarHBondContact CE1-O 3.31Å; Y1316-Y1577 WeakPolarHBondContact O-CD2 3.41Å; Y1316-Y1577 PolarHBondContact O-N 2.96Å; Y1316-H1578 AromaticContact CE1-CE1 3.79Å; Y1316-E1596 PolarHBondContact OH-OE1 2.8Å; Y1316-E1596 PolarHBondContact OH-OE2 2.82Å; Y1316-F1598 AromaticContact CD1-CE1 3.81Å; Y1316-F1598 HydrophobicContact CD1-CE1 3.81Å; Y1316-F1598 AromaticContact CD1-CZ 3.83Å; Y1316-F1598 HydrophobicContact CD1-CZ 3.88Å; Y1316-F1598 AromaticContact CE1-CE1 3.86Å; Y1316-F1598 HydrophobicContact CE1-CE1 3.94Å; Y1316-F1598 AromaticContact CE1-CZ 3.53Å; Y1316-F1598 HydrophobicContact CE1-CZ 3.53Å; Y1316-F1598 VanDerWaalsContact CE1-CZ 3.48Å; Y1316-F1598 HydrophobicContact CG-CE1 4.18Å; Y1316-F1598 HydrophobicContact CG-CZ 4.47Å; Y1316-F1598 AromaticContact CZ-CZ 3.75Å
1317	N	94.1	Very high	87.9	Confident	19.8 Å²	19.8	35.3 Å²	35.3	11%	0.106	18%	0.176	C	C	.	.			trans	-147.7	99.2	-178.6	-176.4	11.5	0	0	0	111.2	L1292 T1293 Y1294 Q1315 I1319 Y1577 Y1579	L1292-N1317 HydrophobicContact CD1-CB 3.97Å; T1293-N1317 PolarHBondContact O-N 3.07Å; Y1294-N1317 WeakPolarHBondContact CA-O 3.39Å; Y1294-N1317 WeakPolarHBondContact CD1-O 3.28Å; Y1294-N1317 VanDerWaalsContact CE1-O 3.31Å; Y1294-N1317 WeakPolarHBondContact CE1-O 3.31Å; Y1294-N1317 VanDerWaalsContact CG-O 3.29Å; Q1315-N1317 HydrophobicContact CG-CB 4.22Å; N1317-I1319 VanDerWaalsContact C-N 3.31Å; N1317-I1319 WeakPolarHBondContact ND2-CG2 3.29Å; N1317-I1319 PolarHBondContact O-N 3.26Å; N1317-I1319 VanDerWaalsContact O-N 3.1Å; N1317-I1319 WeakPolarHBondContact OD1-CG2 3.41Å; N1317-Y1577 HydrophobicContact CB-CD2 3.76Å; N1317-Y1577 HydrophobicContact CB-CE2 4.35Å; N1317-Y1577 HydrophobicContact CB-CG 4.36Å; N1317-Y1579 PolarHBondContact OD1-OH 3.18Å
1318	R	90.4	Very high	87.6	Confident	9.6 Å²	9.6	30.7 Å²	30.7	4%	0.036	16%	0.156	C	C	.	.			trans	-90.4	50	-174.3	-145.6	-179.7	-175.2	-160.5	6.8	114.4	Y1294 P1296 Y1316 Y1579 W1591 N1593 E1596	Y1294-R1318 VanDerWaalsContact O-CB 3.27Å; Y1294-R1318 WeakPolarHBondContact O-CB 3.24Å; Y1294-R1318 WeakPolarHBondContact O-CD 3.4Å; Y1294-R1318 WeakPolarHBondContact O-CG 3.34Å; Y1294-R1318 PolarHBondContact O-NE 3.28Å; P1296-R1318 VanDerWaalsContact CB-NH2 3.27Å; P1296-R1318 VanDerWaalsContact CD-NE 3.3Å; Y1316-R1318 HydrophobicContact CD2-CG 4.49Å; Y1316-R1318 HydrophobicContact CE1-CG 4.3Å; Y1316-R1318 HydrophobicContact CE2-CB 4.27Å; Y1316-R1318 HydrophobicContact CE2-CG 3.6Å; Y1316-R1318 WeakPolarHBondContact OH-CD 3.34Å; Y1316-R1318 WeakPolarHBondContact OH-CG 3.25Å; Y1316-R1318 PolarHBondContact OH-NE 2.96Å; Y1316-R1318 PolarHBondContact OH-NH2 2.85Å; Y1316-R1318 VanDerWaalsContact OH-NH2 3.08Å; R1318-Y1579 HydrophobicContact CB-CE2 4.46Å; R1318-W1591 HydrophobicContact CB-CB 4.14Å; R1318-W1591 VanDerWaalsContact CD-CB 3.49Å; R1318-W1591 HydrophobicContact CG-CB 3.7Å; R1318-W1591 HydrophobicContact CG-CG 4.21Å; R1318-W1591 PolarHBondContact O-N 3.1Å; R1318-W1591 VanDerWaalsContact O-N 3.14Å; R1318-N1593 PolarHBondContact NH1-OD1 2.87Å; R1318-N1593 PolarHBondContact NH2-OD1 3.28Å; R1318-E1596 IonicContact CZ-OE1 3.13Å; R1318-E1596 IonicContact NH1-OE1 2.72Å; R1318-E1596 PolarHBondContact NH1-OE1 2.86Å; R1318-E1596 IonicContact NH2-OE1 2.75Å; R1318-E1596 PolarHBondContact NH2-OE1 2.94Å; R1318-E1596 IonicContact NH2-OE2 3.9Å; R1318-E1596 PolarHBondContact NH2-OE2 2.8Å
1319	I	89.6	Confident	87	Confident	28.4 Å²	28.4	33.8 Å²	33.8	15%	0.146	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	144.3	169.9	-173.5	173.7	0	0	0	110.1	Y1294 N1317 T1321 Y1579 N1588 H1589 F1590	Y1294-I1319 WeakPolarHBondContact CD1-O 3.32Å; Y1294-I1319 HydrophobicContact CE1-CG2 3.95Å; Y1294-I1319 WeakPolarHBondContact CE1-O 3.31Å; N1317-I1319 VanDerWaalsContact C-N 3.31Å; N1317-I1319 WeakPolarHBondContact ND2-CG2 3.29Å; N1317-I1319 PolarHBondContact O-N 3.26Å; N1317-I1319 VanDerWaalsContact O-N 3.1Å; N1317-I1319 WeakPolarHBondContact OD1-CG2 3.41Å; I1319-T1321 HydrophobicContact CD1-CG2 4.26Å; I1319-T1321 HydrophobicContact CG1-CG2 4.37Å; I1319-Y1579 HydrophobicContact CB-CE2 4.43Å; I1319-Y1579 WeakPolarHBondContact CB-OH 3.19Å; I1319-N1588 HydrophobicContact CD1-CB 4.24Å; I1319-N1588 HydrophobicContact CG1-CB 4.24Å; I1319-H1589 CarbonylContact C-O 3.53Å; I1319-H1589 VanDerWaalsContact CA-O 3.26Å; I1319-H1589 WeakPolarHBondContact CA-O 3.35Å; I1319-F1590 HydrophobicContact CB-CD1 4.28Å; I1319-F1590 HydrophobicContact CB-CE1 4.41Å; I1319-F1590 HydrophobicContact CD1-CD1 4.31Å; I1319-F1590 HydrophobicContact CD1-CE1 3.64Å; I1319-F1590 HydrophobicContact CG1-CD1 3.9Å; I1319-F1590 HydrophobicContact CG1-CE1 3.73Å
1320	M	86.2	Confident	86.6	Confident	5.8 Å²	5.8	34.3 Å²	34.3	3%	0.029	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	110.2	164	-159.9	151.9	54.8	0	0	108.9	Y1269 Q1324 R1325 F1328 L1410 N1588 H1589 W1591	Y1269-M1320 HydrophobicContact CD2-CE 4.21Å; Y1269-M1320 HydrophobicContact CE2-CE 3.96Å; Y1269-M1320 HydrophobicContact CE2-SD 3.87Å; Y1269-M1320 WeakPolarHBondContact OH-CE 3.31Å; Y1269-M1320 PolarHBondContact OH-SD 3.21Å; M1320-Q1324 HydrophobicContact CG-CB 4.05Å; M1320-Q1324 HydrophobicContact SD-CB 3.66Å; M1320-R1325 HydrophobicContact CB-CG 4.26Å; M1320-R1325 HydrophobicContact CE-CB 4.45Å; M1320-R1325 HydrophobicContact CE-CG 3.56Å; M1320-R1325 HydrophobicContact CG-CB 4.48Å; M1320-R1325 HydrophobicContact CG-CG 3.59Å; M1320-R1325 HydrophobicContact SD-CB 4.5Å; M1320-R1325 HydrophobicContact SD-CG 3.94Å; M1320-R1325 VanDerWaalsContact SD-CG 3.52Å; M1320-F1328 HydrophobicContact CE-CD1 4.34Å; M1320-L1410 VanDerWaalsContact CE-O 3.23Å; M1320-L1410 WeakPolarHBondContact CE-O 3.4Å; M1320-N1588 WeakPolarHBondContact O-CA 3.28Å; M1320-H1589 HydrophobicContact CB-CB 4.36Å; M1320-H1589 PolarHBondContact N-O 3Å; M1320-H1589 PolarHBondContact O-N 3.04Å; M1320-W1591 HydrophobicContact CE-CZ2 4.3Å
1321	T	86.2	Confident	86.4	Confident	37.2 Å²	37.2	32.2 Å²	32.2	23%	0.228	17%	0.17	C	C	.	.			trans	-70	159.1	178.5	68.8	0	0	0	0	110.8	I1319 E1323 Q1324 R1325 N1588	I1319-T1321 HydrophobicContact CD1-CG2 4.26Å; I1319-T1321 HydrophobicContact CG1-CG2 4.37Å; T1321-E1323 PolarHBondContact O-N 2.96Å; T1321-Q1324 VanDerWaalsContact N-OE1 3.1Å; T1321-Q1324 PolarHBondContact O-N 3.07Å; T1321-Q1324 VanDerWaalsContact O-N 3.1Å; T1321-Q1324 WeakPolarHBondContact OG1-CB 3.47Å; T1321-Q1324 VanDerWaalsContact OG1-CD 3.27Å; T1321-Q1324 VanDerWaalsContact OG1-CG 3.29Å; T1321-Q1324 WeakPolarHBondContact OG1-CG 3.32Å; T1321-Q1324 PolarHBondContact OG1-N 2.88Å; T1321-Q1324 VanDerWaalsContact OG1-N 3.16Å; T1321-Q1324 PolarHBondContact OG1-OE1 3.45Å; T1321-R1325 WeakPolarHBondContact O-CG 3.35Å; T1321-R1325 PolarHBondContact O-N 2.94Å; T1321-N1588 VanDerWaalsContact CA-OD1 3.25Å; T1321-N1588 WeakPolarHBondContact CA-OD1 3.22Å
1322	V	79.2	Confident	86.1	Confident	33.6 Å²	33.6	31.5 Å²	31.5	20%	0.204	17%	0.166	C	C	.	.	H	α-helix	trans	-53.4	-43.1	176.3	178	0	0	0	0	111.6	L777 R1325 F1326 Q1586 N1587 N1588	L777-V1322 HydrophobicContact CD1-CG1 4.16Å; V1322-R1325 WeakPolarHBondContact O-CB 3.3Å; V1322-R1325 PolarHBondContact O-N 3.13Å; V1322-F1326 HydrophobicContact CG1-CD2 3.84Å; V1322-F1326 HydrophobicContact CG1-CE2 3.52Å; V1322-F1326 VanDerWaalsContact CG1-CE2 3.45Å; V1322-F1326 WeakPolarHBondContact O-CD2 3.31Å; V1322-F1326 PolarHBondContact O-N 3.23Å; V1322-F1326 VanDerWaalsContact O-N 3.12Å; V1322-Q1586 WeakPolarHBondContact CG2-O 3.34Å; V1322-N1587 HydrophobicContact CG2-CB 4.41Å; V1322-N1588 PolarHBondContact N-OD1 2.84Å
1323	E	77.6	Confident	85.4	Confident	147.8 Å²	147.8	33.6 Å²	33.6	69%	0.691	18%	0.179	S	C	*	.	H	α-helix	trans	-64.9	-44.2	178	-67.6	165.3	-171	0	0	112.4	T1321 R1325 F1326 A1327	T1321-E1323 PolarHBondContact O-N 2.96Å; E1323-R1325 VanDerWaalsContact C-N 3.28Å; E1323-R1325 PolarHBondContact O-N 3.11Å; E1323-F1326 PolarHBondContact O-N 2.87Å; E1323-A1327 WeakPolarHBondContact O-CB 3.2Å; E1323-A1327 PolarHBondContact O-N 3.06Å
1324	Q	84.1	Confident	84.2	Confident	56.6 Å²	56.6	36.5 Å²	36.5	26%	0.264	20%	0.198	S	C	.	.	H	α-helix	trans	-61.9	-37.1	175.7	-73.8	173.6	-28	0	0	111.7	Y1294 M1320 T1321 A1327 F1328	Y1294-Q1324 PolarHBondContact OH-NE2 2.97Å; Y1294-Q1324 VanDerWaalsContact OH-NE2 3.12Å; M1320-Q1324 HydrophobicContact CG-CB 4.05Å; M1320-Q1324 HydrophobicContact SD-CB 3.66Å; T1321-Q1324 VanDerWaalsContact N-OE1 3.1Å; T1321-Q1324 PolarHBondContact O-N 3.07Å; T1321-Q1324 VanDerWaalsContact O-N 3.1Å; T1321-Q1324 WeakPolarHBondContact OG1-CB 3.47Å; T1321-Q1324 VanDerWaalsContact OG1-CD 3.27Å; T1321-Q1324 VanDerWaalsContact OG1-CG 3.29Å; T1321-Q1324 WeakPolarHBondContact OG1-CG 3.32Å; T1321-Q1324 PolarHBondContact OG1-N 2.88Å; T1321-Q1324 VanDerWaalsContact OG1-N 3.16Å; T1321-Q1324 PolarHBondContact OG1-OE1 3.45Å; Q1324-A1327 PolarHBondContact O-N 3.08Å; Q1324-F1328 VanDerWaalsContact O-CB 3.27Å; Q1324-F1328 WeakPolarHBondContact O-CB 3.28Å; Q1324-F1328 PolarHBondContact O-N 3.1Å
1325	R	83.6	Confident	83.3	Confident	11.8 Å²	11.8	40.1 Å²	40.1	5%	0.045	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-49	174.3	-70.2	-172.3	-58.2	147.2	-8.5	112	M1320 T1321 V1322 E1323 A1327 F1328 H1329 E1411 N1587 H1589	M1320-R1325 HydrophobicContact CB-CG 4.26Å; M1320-R1325 HydrophobicContact CE-CB 4.45Å; M1320-R1325 HydrophobicContact CE-CG 3.56Å; M1320-R1325 HydrophobicContact CG-CB 4.48Å; M1320-R1325 HydrophobicContact CG-CG 3.59Å; M1320-R1325 HydrophobicContact SD-CB 4.5Å; M1320-R1325 HydrophobicContact SD-CG 3.94Å; M1320-R1325 VanDerWaalsContact SD-CG 3.52Å; T1321-R1325 WeakPolarHBondContact O-CG 3.35Å; T1321-R1325 PolarHBondContact O-N 2.94Å; V1322-R1325 WeakPolarHBondContact O-CB 3.3Å; V1322-R1325 PolarHBondContact O-N 3.13Å; E1323-R1325 VanDerWaalsContact C-N 3.28Å; E1323-R1325 PolarHBondContact O-N 3.11Å; R1325-A1327 VanDerWaalsContact C-N 3.31Å; R1325-A1327 PolarHBondContact O-N 3.02Å; R1325-F1328 WeakPolarHBondContact O-CB 3.31Å; R1325-F1328 PolarHBondContact O-N 3.16Å; R1325-F1328 VanDerWaalsContact O-N 3.14Å; R1325-H1329 WeakPolarHBondContact O-CB 3.32Å; R1325-H1329 PolarHBondContact O-CD2 3.2Å; R1325-H1329 VanDerWaalsContact O-CD2 3.3Å; R1325-H1329 PolarHBondContact O-N 3.07Å; R1325-E1411 WeakPolarHBondContact CD-OE1 3.35Å; R1325-E1411 IonicContact CZ-OE1 3.19Å; R1325-E1411 IonicContact NE-OE1 3.19Å; R1325-E1411 IonicContact NH1-OE1 3.42Å; R1325-E1411 PolarHBondContact NH1-OE1 2.86Å; R1325-N1587 PolarHBondContact NH2-O 2.79Å; R1325-H1589 VanDerWaalsContact CD-CE1 3.48Å; R1325-H1589 WeakPolarHBondContact CD-CE1 3.49Å; R1325-H1589 VanDerWaalsContact CZ-NE2 3.27Å; R1325-H1589 PolarHBondContact NE-NE2 3.4Å; R1325-H1589 PolarHBondContact NH1-CE1 3.49Å; R1325-H1589 VanDerWaalsContact NH1-CE1 3.33Å; R1325-H1589 PolarHBondContact NH1-NE2 3.36Å; R1325-H1589 VanDerWaalsContact NH1-NE2 3.17Å; R1325-H1589 PolarHBondContact NH2-NE2 3.06Å
1326	F	77.9	Confident	82.8	Confident	125.8 Å²	125.8	41.1 Å²	41.1	55%	0.552	23%	0.226	S	C	*	.	H	α-helix	trans	-59.2	-43.8	175.6	-78.7	-65.2	0	0	0	111.7	L777 V1322 E1323 F1328 H1329 A1330	L777-F1326 HydrophobicContact CD1-CD2 4.18Å; L777-F1326 HydrophobicContact CD1-CE2 4Å; L777-F1326 HydrophobicContact CD2-CE2 4.31Å; V1322-F1326 HydrophobicContact CG1-CD2 3.84Å; V1322-F1326 HydrophobicContact CG1-CE2 3.52Å; V1322-F1326 VanDerWaalsContact CG1-CE2 3.45Å; V1322-F1326 WeakPolarHBondContact O-CD2 3.31Å; V1322-F1326 PolarHBondContact O-N 3.23Å; V1322-F1326 VanDerWaalsContact O-N 3.12Å; E1323-F1326 PolarHBondContact O-N 2.87Å; F1326-F1328 VanDerWaalsContact C-N 3.33Å; F1326-F1328 PolarHBondContact O-N 3.08Å; F1326-H1329 PolarHBondContact O-N 3.04Å; F1326-A1330 VanDerWaalsContact O-CB 3.3Å; F1326-A1330 WeakPolarHBondContact O-CB 3.27Å; F1326-A1330 PolarHBondContact O-N 3.3Å
1327	A	79.4	Confident	82.4	Confident	39.4 Å²	39.4	43.1 Å²	43.1	33%	0.326	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-35.1	177	0	0	0	0	0	112.8	R1209 E1323 Q1324 R1325 G1331	R1209-A1327 PolarHBondContact NH1-O 2.97Å; R1209-A1327 PolarHBondContact NH2-O 3.09Å; E1323-A1327 WeakPolarHBondContact O-CB 3.2Å; E1323-A1327 PolarHBondContact O-N 3.06Å; Q1324-A1327 PolarHBondContact O-N 3.08Å; R1325-A1327 VanDerWaalsContact C-N 3.31Å; R1325-A1327 PolarHBondContact O-N 3.02Å; A1327-G1331 PolarHBondContact O-N 2.87Å
1328	F	85.4	Confident	82.1	Confident	2.2 Å²	2.2	42.3 Å²	42.3	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-69.1	-48	175.6	-176.5	-102	0	0	0	111.1	A1212 D1246 Y1247 L1268 Y1269 M1320 Q1324 R1325 F1326 A1330 G1331 I1332 L1410 L1524	A1212-F1328 HydrophobicContact CB-CE1 4.5Å; A1212-F1328 HydrophobicContact CB-CE2 4.05Å; A1212-F1328 HydrophobicContact CB-CZ 3.97Å; D1246-F1328 HydrophobicContact CB-CD2 4Å; D1246-F1328 HydrophobicContact CB-CE2 3.87Å; Y1247-F1328 HydrophobicContact CD2-CZ 4.27Å; L1268-F1328 HydrophobicContact CD1-CD2 3.95Å; L1268-F1328 HydrophobicContact CD1-CE2 4.45Å; Y1269-F1328 HydrophobicContact CD2-CD2 4.49Å; Y1269-F1328 HydrophobicContact CD2-CE1 4.44Å; Y1269-F1328 AromaticContact CD2-CE2 3.74Å; Y1269-F1328 HydrophobicContact CD2-CE2 3.85Å; Y1269-F1328 AromaticContact CD2-CZ 3.73Å; Y1269-F1328 HydrophobicContact CD2-CZ 3.87Å; Y1269-F1328 HydrophobicContact CE2-CE1 4.29Å; Y1269-F1328 AromaticContact CE2-CE2 3.98Å; Y1269-F1328 HydrophobicContact CE2-CE2 4.05Å; Y1269-F1328 AromaticContact CE2-CZ 3.91Å; Y1269-F1328 HydrophobicContact CE2-CZ 3.91Å; M1320-F1328 HydrophobicContact CE-CD1 4.34Å; Q1324-F1328 VanDerWaalsContact O-CB 3.27Å; Q1324-F1328 WeakPolarHBondContact O-CB 3.28Å; Q1324-F1328 PolarHBondContact O-N 3.1Å; R1325-F1328 WeakPolarHBondContact O-CB 3.31Å; R1325-F1328 PolarHBondContact O-N 3.16Å; R1325-F1328 VanDerWaalsContact O-N 3.14Å; F1326-F1328 VanDerWaalsContact C-N 3.33Å; F1326-F1328 PolarHBondContact O-N 3.08Å; F1328-A1330 VanDerWaalsContact C-N 3.3Å; F1328-A1330 PolarHBondContact O-N 3.03Å; F1328-G1331 WeakPolarHBondContact O-CA 3.41Å; F1328-G1331 PolarHBondContact O-N 3.08Å; F1328-G1331 VanDerWaalsContact O-N 3.1Å; F1328-I1332 HydrophobicContact CD1-CD1 4.11Å; F1328-I1332 HydrophobicContact CE1-CD1 4.17Å; F1328-I1332 PolarHBondContact O-N 3.26Å; F1328-I1332 VanDerWaalsContact O-N 3.11Å; F1328-L1410 HydrophobicContact CE1-CB 4.28Å; F1328-L1410 HydrophobicContact CE1-CD1 4.18Å; F1328-L1410 HydrophobicContact CZ-CD1 4.22Å; F1328-L1524 HydrophobicContact CD1-CD2 3.92Å; F1328-L1524 HydrophobicContact CE1-CD2 3.61Å; F1328-L1524 VanDerWaalsContact CE1-CD2 3.46Å; F1328-L1524 HydrophobicContact CZ-CD2 4.41Å
1329	H	79.2	Confident	82	Confident	67.4 Å²	67.4	42 Å²	42	31%	0.312	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-36.2	176.3	-138.4	-62.1	0	0	0	112.7	R1325 F1326 G1331 I1332 E1411	R1325-H1329 WeakPolarHBondContact O-CB 3.32Å; R1325-H1329 PolarHBondContact O-CD2 3.2Å; R1325-H1329 VanDerWaalsContact O-CD2 3.3Å; R1325-H1329 PolarHBondContact O-N 3.07Å; F1326-H1329 PolarHBondContact O-N 3.04Å; H1329-G1331 VanDerWaalsContact C-N 3.32Å; H1329-G1331 PolarHBondContact O-N 3.12Å; H1329-I1332 VanDerWaalsContact O-CG2 3.32Å; H1329-I1332 WeakPolarHBondContact O-CG2 3.45Å; H1329-I1332 PolarHBondContact O-N 3.3Å; H1329-E1411 IonicContact CD2-OE2 2.83Å; H1329-E1411 PolarHBondContact CD2-OE2 3.45Å; H1329-E1411 VanDerWaalsContact CD2-OE2 3.31Å; H1329-E1411 IonicContact CE1-OE2 3.54Å; H1329-E1411 IonicContact NE2-OE1 3.08Å; H1329-E1411 IonicContact NE2-OE2 3.29Å; H1329-E1411 PolarHBondContact NE2-OE2 3.35Å
1330	A	75.3	Confident	81.7	Confident	51 Å²	51	42.4 Å²	42.4	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-68.2	-22.7	174.6	0	0	0	0	0	113.1	P879 F1326 F1328	P879-A1330 HydrophobicContact CG-CB 4.12Å; F1326-A1330 VanDerWaalsContact O-CB 3.3Å; F1326-A1330 WeakPolarHBondContact O-CB 3.27Å; F1326-A1330 PolarHBondContact O-N 3.3Å; F1328-A1330 VanDerWaalsContact C-N 3.3Å; F1328-A1330 PolarHBondContact O-N 3.03Å
1331	G	78.6	Confident	81.2	Confident	0.8 Å²	0.8	43.2 Å²	43.2	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-91.7	-19.8	-179	0	0	0	0	0	115	Q1021 T1211 S1213 A1327 F1328 H1329	Q1021-G1331 PolarHBondContact NE2-O 3.06Å; T1211-G1331 VanDerWaalsContact CB-O 3.26Å; T1211-G1331 WeakPolarHBondContact CB-O 3.34Å; T1211-G1331 WeakPolarHBondContact CG2-O 3.27Å; T1211-G1331 PolarHBondContact OG1-O 3.31Å; S1213-G1331 VanDerWaalsContact CB-O 3.26Å; S1213-G1331 WeakPolarHBondContact CB-O 3.31Å; S1213-G1331 PolarHBondContact N-O 2.77Å; S1213-G1331 VanDerWaalsContact OG-C 3.27Å; S1213-G1331 PolarHBondContact OG-O 3.43Å; A1327-G1331 PolarHBondContact O-N 2.87Å; F1328-G1331 WeakPolarHBondContact O-CA 3.41Å; F1328-G1331 PolarHBondContact O-N 3.08Å; F1328-G1331 VanDerWaalsContact O-N 3.1Å; H1329-G1331 VanDerWaalsContact C-N 3.32Å; H1329-G1331 PolarHBondContact O-N 3.12Å
1332	I	82.5	Confident	80.3	Confident	13.6 Å²	13.6	44.6 Å²	44.6	7%	0.07	24%	0.244	C	C	.	.			trans	-74.3	138.9	-175.8	-148.8	161	0	0	0	112.1	A1212 S1213 F1328 H1329 P1334 T1335 F1376 L1410 L1524	A1212-I1332 HydrophobicContact CB-CB 4.35Å; A1212-I1332 HydrophobicContact CB-CD1 4.07Å; A1212-I1332 HydrophobicContact CB-CG1 3.99Å; A1212-I1332 WeakPolarHBondContact O-CA 3.26Å; A1212-I1332 WeakPolarHBondContact O-CG1 3.43Å; S1213-I1332 WeakPolarHBondContact OG-CA 3.26Å; S1213-I1332 PolarHBondContact OG-N 3.01Å; F1328-I1332 HydrophobicContact CD1-CD1 4.11Å; F1328-I1332 HydrophobicContact CE1-CD1 4.17Å; F1328-I1332 PolarHBondContact O-N 3.26Å; F1328-I1332 VanDerWaalsContact O-N 3.11Å; H1329-I1332 VanDerWaalsContact O-CG2 3.32Å; H1329-I1332 WeakPolarHBondContact O-CG2 3.45Å; H1329-I1332 PolarHBondContact O-N 3.3Å; I1332-P1334 VanDerWaalsContact O-CD 3.25Å; I1332-P1334 WeakPolarHBondContact O-CD 3.08Å; I1332-T1335 HydrophobicContact CB-CG2 4.31Å; I1332-T1335 HydrophobicContact CG2-CG2 3.46Å; I1332-T1335 VanDerWaalsContact CG2-CG2 3.46Å; I1332-F1376 HydrophobicContact CD1-CB 4.01Å; I1332-F1376 HydrophobicContact CD1-CD1 3.85Å; I1332-F1376 HydrophobicContact CD1-CE1 4.34Å; I1332-F1376 HydrophobicContact CD1-CG 3.97Å; I1332-F1376 HydrophobicContact CG1-CB 4.19Å; I1332-F1376 HydrophobicContact CG1-CD1 4.33Å; I1332-F1376 HydrophobicContact CG1-CD2 4.49Å; I1332-F1376 HydrophobicContact CG1-CG 4.18Å; I1332-F1376 HydrophobicContact CG2-CB 3.79Å; I1332-F1376 HydrophobicContact CG2-CD2 3.76Å; I1332-F1376 HydrophobicContact CG2-CG 3.82Å; I1332-L1410 HydrophobicContact CD1-CD1 4.43Å; I1332-L1524 HydrophobicContact CD1-CD1 3.87Å; I1332-L1524 HydrophobicContact CD1-CD2 3.77Å; I1332-L1524 HydrophobicContact CD1-CG 4.11Å
1333	V	78.6	Confident	79.6	Confident	43.2 Å²	43.2	49.2 Å²	49.2	26%	0.262	26%	0.263	S	S	.	.			trans	-108	77.3	175.6	-175.8	0	0	0	0	109.1	P998 Q1021 A1212 S1213 D1214 T1335	P998-V1333 HydrophobicContact CB-CG1 4.06Å; P998-V1333 HydrophobicContact CB-CG2 4.45Å; P998-V1333 HydrophobicContact CG-CG1 3.95Å; P998-V1333 HydrophobicContact CG-CG2 3.89Å; Q1021-V1333 HydrophobicContact CB-CG2 3.74Å; Q1021-V1333 HydrophobicContact CG-CG2 3.9Å; A1212-V1333 PolarHBondContact O-N 3.1Å; S1213-V1333 WeakPolarHBondContact OG-CB 3.38Å; S1213-V1333 VanDerWaalsContact OG-CG2 3.28Å; S1213-V1333 WeakPolarHBondContact OG-CG2 3.44Å; S1213-V1333 PolarHBondContact OG-N 2.87Å; D1214-V1333 HydrophobicContact CB-CG1 4.38Å; V1333-T1335 PolarHBondContact O-N 3.24Å
1334	P	70.9	Confident	78.8	Confident	62.2 Å²	62.2	47.4 Å²	47.4	40%	0.404	25%	0.254	S	S	.	.			trans	-77	132.5	174.1	29.2	-31.7	0	0	0	110.6	I1332 N1378	I1332-P1334 VanDerWaalsContact O-CD 3.25Å; I1332-P1334 WeakPolarHBondContact O-CD 3.08Å; P1334-N1378 HydrophobicContact CB-CB 4.25Å
1335	T	77.5	Confident	77.4	Confident	75.2 Å²	75.2	46.4 Å²	46.4	46%	0.461	25%	0.251	S	S	.	.	S	Bend	trans	-106.2	-10.4	175.7	49.3	0	0	0	0	112.1	I1332 V1333 I1375 F1376 N1378	I1332-T1335 HydrophobicContact CB-CG2 4.31Å; I1332-T1335 HydrophobicContact CG2-CG2 3.46Å; I1332-T1335 VanDerWaalsContact CG2-CG2 3.46Å; V1333-T1335 PolarHBondContact O-N 3.24Å; T1335-I1375 VanDerWaalsContact OG1-CA 3.32Å; T1335-I1375 WeakPolarHBondContact OG1-CA 3.38Å; T1335-I1375 WeakPolarHBondContact OG1-CG2 3.31Å; T1335-F1376 CarbonylContact C-O 3.57Å; T1335-F1376 VanDerWaalsContact CA-O 3.27Å; T1335-F1376 WeakPolarHBondContact CA-O 3.41Å; T1335-F1376 HydrophobicContact CG2-CB 4.08Å; T1335-F1376 PolarHBondContact N-O 3.08Å; T1335-F1376 PolarHBondContact OG1-N 3.32Å; T1335-F1376 PolarHBondContact OG1-O 2.84Å; T1335-F1376 VanDerWaalsContact OG1-O 3.1Å; T1335-N1378 PolarHBondContact OG1-ND2 2.8Å
1336	L	86.8	Confident	75.9	Confident	30.4 Å²	30.4	50.1 Å²	50.1	16%	0.159	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.6	176.2	177.1	65.1	0	0	0	109.3	L1338 E1367 L1369 I1375 F1376 V1377 N1378	L1336-L1338 HydrophobicContact CD1-CD2 4.34Å; L1336-L1338 HydrophobicContact CD2-CD2 4.06Å; L1336-L1338 HydrophobicContact CD2-CG 4.36Å; L1336-L1338 HydrophobicContact CG-CD2 4.08Å; L1336-L1338 HydrophobicContact CG-CG 4.35Å; L1336-E1367 HydrophobicContact CD1-CG 4.37Å; L1336-L1369 HydrophobicContact CD2-CD2 4.17Å; L1336-I1375 HydrophobicContact CB-CG2 3.81Å; L1336-I1375 HydrophobicContact CD2-CG2 4.27Å; L1336-F1376 PolarHBondContact N-O 3.19Å; L1336-F1376 VanDerWaalsContact N-O 3.12Å; L1336-V1377 HydrophobicContact CB-CG2 4.23Å; L1336-V1377 HydrophobicContact CD2-CG2 4.08Å; L1336-V1377 HydrophobicContact CG-CG2 4.46Å; L1336-V1377 CarbonylContact O-C 3.55Å; L1336-V1377 VanDerWaalsContact O-CA 3.3Å; L1336-V1377 WeakPolarHBondContact O-CA 3.37Å; L1336-V1377 WeakPolarHBondContact O-CG1 3.33Å; L1336-N1378 PolarHBondContact O-N 3.06Å; L1336-N1378 VanDerWaalsContact O-N 3.12Å; L1336-N1378 PolarHBondContact O-OD1 2.95Å; L1336-N1378 VanDerWaalsContact O-OD1 3.11Å
1337	T	87.6	Confident	74.7	Confident	43.8 Å²	43.8	51.4 Å²	51.4	27%	0.269	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.8	174	-56.8	0	0	0	0	109	H1340 N1378 P1380	T1337-H1340 PolarHBondContact O-CE1 3.21Å; T1337-H1340 PolarHBondContact O-NE2 2.98Å; T1337-N1378 WeakPolarHBondContact CA-O 3.35Å; T1337-N1378 VanDerWaalsContact CA-OD1 3.3Å; T1337-N1378 WeakPolarHBondContact CA-OD1 3.3Å; T1337-N1378 VanDerWaalsContact CB-OD1 3.31Å; T1337-N1378 WeakPolarHBondContact CB-OD1 3.39Å; T1337-N1378 WeakPolarHBondContact CG2-OD1 3.39Å; T1337-N1378 PolarHBondContact OG1-OD1 3.15Å; T1337-P1380 HydrophobicContact CG2-CB 4.32Å; T1337-P1380 HydrophobicContact CG2-CG 4.13Å
1338	L	88.6	Confident	73.5	Confident	1.6 Å²	1.6	55.5 Å²	55.5	1%	0.008	30%	0.299	C	S	.	.			trans	-111.3	161.8	178	-65.7	-174.8	0	0	0	111.7	L1336 H1340 E1367 V1377 N1378 P1380 T1392 L1394 M1511	L1336-L1338 HydrophobicContact CD1-CD2 4.34Å; L1336-L1338 HydrophobicContact CD2-CD2 4.06Å; L1336-L1338 HydrophobicContact CD2-CG 4.36Å; L1336-L1338 HydrophobicContact CG-CD2 4.08Å; L1336-L1338 HydrophobicContact CG-CG 4.35Å; L1338-H1340 VanDerWaalsContact C-N 3.3Å; L1338-H1340 PolarHBondContact O-N 3Å; L1338-E1367 HydrophobicContact CD2-CB 4.45Å; L1338-E1367 HydrophobicContact CD2-CG 3.74Å; L1338-V1377 HydrophobicContact CB-CG1 4.15Å; L1338-V1377 HydrophobicContact CD1-CG1 3.53Å; L1338-V1377 VanDerWaalsContact CD1-CG1 3.48Å; L1338-V1377 HydrophobicContact CG-CG1 3.53Å; L1338-V1377 VanDerWaalsContact CG-CG1 3.5Å; L1338-N1378 PolarHBondContact N-O 3.08Å; L1338-P1380 WeakPolarHBondContact O-CD 3.35Å; L1338-T1392 HydrophobicContact CD2-CG2 3.98Å; L1338-L1394 HydrophobicContact CD1-CD2 4.24Å; L1338-L1394 HydrophobicContact CD2-CD2 4.43Å; L1338-M1511 HydrophobicContact CD1-CE 3.04Å; L1338-M1511 HydrophobicContact CD1-SD 4.04Å; L1338-M1511 HydrophobicContact CG-CE 4.49Å
1339	F	87.8	Confident	71.9	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.018	35%	0.345	C	S	.	.	S	Bend	trans	57.1	41.5	175.1	-41.3	-47.9	0	0	0	113.8	V1379 Y1390 T1392 L1473 M1511 L1513 K1519	F1339-V1379 HydrophobicContact CB-CG1 4.35Å; F1339-V1379 HydrophobicContact CD2-CB 4.49Å; F1339-V1379 HydrophobicContact CD2-CG1 4.09Å; F1339-V1379 HydrophobicContact CD2-CG2 3.62Å; F1339-V1379 HydrophobicContact CE2-CG2 4.08Å; F1339-Y1390 HydrophobicContact CB-CD1 4.1Å; F1339-Y1390 HydrophobicContact CB-CD2 4.25Å; F1339-Y1390 HydrophobicContact CB-CG 3.85Å; F1339-Y1390 VanDerWaalsContact CD1-CB 3.41Å; F1339-Y1390 HydrophobicContact CD1-CG 4.24Å; F1339-Y1390 HydrophobicContact CG-CG 4.34Å; F1339-T1392 WeakPolarHBondContact CD1-OG1 3.47Å; F1339-T1392 VanDerWaalsContact CE1-OG1 3.29Å; F1339-T1392 WeakPolarHBondContact CE1-OG1 3.38Å; F1339-L1473 HydrophobicContact CE2-CD1 4.08Å; F1339-L1473 HydrophobicContact CZ-CD1 4.22Å; F1339-M1511 HydrophobicContact CE1-CB 4.44Å; F1339-M1511 WeakPolarHBondContact CE1-O 3.4Å; F1339-M1511 HydrophobicContact CZ-CB 3.99Å; F1339-L1513 HydrophobicContact CB-CD2 4.21Å; F1339-L1513 HydrophobicContact CD1-CB 4.36Å; F1339-L1513 HydrophobicContact CD2-CB 3.76Å; F1339-L1513 HydrophobicContact CD2-CD2 3.5Å; F1339-L1513 VanDerWaalsContact CD2-CD2 3.47Å; F1339-L1513 HydrophobicContact CD2-CG 4.26Å; F1339-L1513 HydrophobicContact CE1-CB 4.2Å; F1339-L1513 HydrophobicContact CE2-CB 3.62Å; F1339-L1513 HydrophobicContact CE2-CD2 4.08Å; F1339-L1513 HydrophobicContact CE2-CG 4.43Å; F1339-L1513 HydrophobicContact CG-CB 4.12Å; F1339-L1513 HydrophobicContact CG-CD2 4.03Å; F1339-L1513 HydrophobicContact CZ-CB 3.83Å; F1339-K1519 VanDerWaalsContact O-CE 3.32Å; F1339-K1519 WeakPolarHBondContact O-CE 3.44Å; F1339-K1519 PolarHBondContact O-NZ 3.32Å
1340	H	82.1	Confident	70.9	Confident	36.6 Å²	36.6	65 Å²	65	17%	0.169	35%	0.35	C	S	.	.			trans	-54.4	149	174.3	-54.6	78.2	0	0	0	112	T1337 L1338 E1344 N1345 R1348 P1380 Y1390	T1337-H1340 PolarHBondContact O-CE1 3.21Å; T1337-H1340 PolarHBondContact O-NE2 2.98Å; L1338-H1340 VanDerWaalsContact C-N 3.3Å; L1338-H1340 PolarHBondContact O-N 3Å; H1340-E1344 HydrophobicContact CB-CB 4.48Å; H1340-E1344 IonicContact CD2-OE2 3.61Å; H1340-E1344 IonicContact ND1-OE2 2.76Å; H1340-N1345 VanDerWaalsContact CB-OD1 3.28Å; H1340-N1345 WeakPolarHBondContact CB-OD1 3.3Å; H1340-N1345 PolarHBondContact O-ND2 2.93Å; H1340-R1348 PolarHBondContact CD2-NH1 2.81Å; H1340-R1348 PolarHBondContact CE1-NH1 3.02Å; H1340-R1348 VanDerWaalsContact CE1-NH1 3.32Å; H1340-R1348 PolarHBondContact CE1-NH2 3.14Å; H1340-R1348 PolarHBondContact NE2-NH1 3.24Å; H1340-R1348 PolarHBondContact NE2-NH2 3.08Å; H1340-P1380 HydrophobicContact CB-CG 4.18Å; H1340-Y1390 WeakPolarHBondContact O-CE1 3.36Å; H1340-Y1390 PolarHBondContact O-OH 3.36Å
1341	N	75.5	Confident	70.4	Confident	23 Å²	23	64.5 Å²	64.5	12%	0.123	34%	0.342	C	S	.	.			trans	-64.9	144.8	178.2	-67.6	-26.5	0	0	0	110.4	E1343 E1344 N1345 V1381 E1386 Y1390 K1519	N1341-E1343 PolarHBondContact O-N 3.1Å; N1341-E1343 VanDerWaalsContact O-N 3.13Å; N1341-E1344 PolarHBondContact O-N 2.87Å; N1341-N1345 PolarHBondContact O-N 3Å; N1341-V1381 PolarHBondContact ND2-O 3.27Å; N1341-V1381 VanDerWaalsContact ND2-O 3.14Å; N1341-E1386 PolarHBondContact ND2-OE2 3.46Å; N1341-Y1390 PolarHBondContact OD1-OH 3.42Å; N1341-K1519 VanDerWaalsContact OD1-CE 3.3Å; N1341-K1519 WeakPolarHBondContact OD1-CE 3.32Å; N1341-K1519 PolarHBondContact OD1-NZ 3.34Å
1342	I	67.8	Low	70.1	Confident	66.6 Å²	66.6	67.5 Å²	67.5	34%	0.342	36%	0.36	S	S	.	.	H	α-helix	trans	-55.7	-29.5	-176.8	-60.5	170.5	0	0	0	110.8	E1344 N1345 V1363 T1388 Y1390	I1342-E1344 VanDerWaalsContact C-N 3.29Å; I1342-E1344 PolarHBondContact O-N 3.01Å; I1342-N1345 PolarHBondContact O-N 3.24Å; I1342-V1363 HydrophobicContact CD1-CG1 4.46Å; I1342-V1363 HydrophobicContact CG1-CG2 4.36Å; I1342-T1388 HydrophobicContact CD1-CG2 4.24Å; I1342-T1388 HydrophobicContact CG1-CG2 4.45Å; I1342-Y1390 HydrophobicContact CG1-CE1 4.43Å
1343	E	65.9	Low	69.7	Low	131 Å²	131	71.7 Å²	71.7	61%	0.612	38%	0.379	S	S	*	.	H	α-helix	trans	-63.4	-28.1	174	-64.2	178.1	173.5	0	0	112.2	N1341 N1345 S1346 K1383	N1341-E1343 PolarHBondContact O-N 3.1Å; N1341-E1343 VanDerWaalsContact O-N 3.13Å; E1343-N1345 PolarHBondContact O-N 3.28Å; E1343-S1346 PolarHBondContact O-OG 3.02Å; E1343-K1383 IonicContact OE1-NZ 3.74Å; E1343-K1383 PolarHBondContact OE1-NZ 2.86Å; E1343-K1383 VanDerWaalsContact OE2-CD 3.23Å; E1343-K1383 WeakPolarHBondContact OE2-CD 3.44Å; E1343-K1383 IonicContact OE2-NZ 2.78Å; E1343-K1383 PolarHBondContact OE2-NZ 3.3Å
1344	E	59.6	Low	69.6	Low	108.2 Å²	108.2	73 Å²	73	51%	0.506	39%	0.387	S	S	.	.	H	α-helix	trans	-80.3	-19.3	-175.1	-72.8	169.5	-174.6	0	0	113.2	H1340 N1341 I1342 S1346 K1383	H1340-E1344 HydrophobicContact CB-CB 4.48Å; H1340-E1344 IonicContact CD2-OE2 3.61Å; H1340-E1344 IonicContact ND1-OE2 2.76Å; N1341-E1344 PolarHBondContact O-N 2.87Å; I1342-E1344 VanDerWaalsContact C-N 3.29Å; I1342-E1344 PolarHBondContact O-N 3.01Å; E1344-S1346 VanDerWaalsContact C-N 3.3Å; E1344-S1346 PolarHBondContact O-N 3.05Å; E1344-K1383 WeakPolarHBondContact OE1-CE 3.31Å; E1344-K1383 IonicContact OE1-NZ 3.17Å; E1344-K1383 PolarHBondContact OE1-NZ 3.04Å
1345	N	54.1	Low	69.8	Low	36.8 Å²	36.8	74.9 Å²	74.9	20%	0.197	40%	0.402	C	S	.	.	H	α-helix	trans	-83.5	-12	-175.5	-86	-23.8	0	0	0	114.8	H1340 N1341 I1342 E1343 N1347 R1348 T1351	H1340-N1345 VanDerWaalsContact CB-OD1 3.28Å; H1340-N1345 WeakPolarHBondContact CB-OD1 3.3Å; H1340-N1345 PolarHBondContact O-ND2 2.93Å; N1341-N1345 PolarHBondContact O-N 3Å; I1342-N1345 PolarHBondContact O-N 3.24Å; E1343-N1345 PolarHBondContact O-N 3.28Å; N1345-N1347 PolarHBondContact O-N 3.15Å; N1345-R1348 PolarHBondContact O-N 3.11Å; N1345-R1348 VanDerWaalsContact O-N 3.17Å; N1345-T1351 HydrophobicContact CB-CG2 3.92Å; N1345-T1351 PolarHBondContact O-OG1 3.2Å; N1345-T1351 VanDerWaalsContact O-OG1 3.07Å
1346	S	53.9	Low	69.7	Low	90 Å²	90	73.4 Å²	73.4	63%	0.629	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-5.9	-179.2	60.2	0	0	0	0	114.1	E1343 E1344 R1348	E1343-S1346 PolarHBondContact O-OG 3.02Å; E1344-S1346 VanDerWaalsContact C-N 3.3Å; E1344-S1346 PolarHBondContact O-N 3.05Å; S1346-R1348 PolarHBondContact O-N 3.31Å
1347	N	51.9	Low	68.8	Low	153 Å²	153	75.1 Å²	75.1	82%	0.818	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	1.1	179.6	-70.6	-19.4	0	0	0	115	N1345 M1349	N1345-N1347 PolarHBondContact O-N 3.15Å; N1347-M1349 PolarHBondContact O-N 2.92Å
1348	R	54.2	Low	67.9	Low	125.6 Å²	125.6	77.7 Å²	77.7	47%	0.474	41%	0.413	S	S	.	.			trans	-93	118.1	178	-75.7	-171.6	179.3	-166.4	2.9	110.5	H1340 N1345 S1346 T1350 T1351 E1367	H1340-R1348 PolarHBondContact CD2-NH1 2.81Å; H1340-R1348 PolarHBondContact CE1-NH1 3.02Å; H1340-R1348 VanDerWaalsContact CE1-NH1 3.32Å; H1340-R1348 PolarHBondContact CE1-NH2 3.14Å; H1340-R1348 PolarHBondContact NE2-NH1 3.24Å; H1340-R1348 PolarHBondContact NE2-NH2 3.08Å; N1345-R1348 PolarHBondContact O-N 3.11Å; N1345-R1348 VanDerWaalsContact O-N 3.17Å; S1346-R1348 PolarHBondContact O-N 3.31Å; R1348-T1350 PolarHBondContact O-N 3.27Å; R1348-T1351 HydrophobicContact CB-CG2 3.89Å; R1348-T1351 PolarHBondContact O-N 2.91Å; R1348-T1351 PolarHBondContact O-OG1 3.12Å; R1348-T1351 VanDerWaalsContact O-OG1 3.12Å; R1348-E1367 IonicContact NH1-OE1 3.66Å; R1348-E1367 PolarHBondContact NH1-OE1 3.04Å
1349	M	50.7	Low	67.2	Low	198.4 Å²	198.4	80.6 Å²	80.6	98%	0.977	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-3.4	177.4	-76	-178.2	-177.2	0	0	114.6	N1347	N1347-M1349 PolarHBondContact O-N 2.92Å
1350	T	59.9	Low	66.9	Low	70.4 Å²	70.4	81.2 Å²	81.2	43%	0.432	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	15.9	-176.7	57.2	0	0	0	0	115.1	R1348	R1348-T1350 PolarHBondContact O-N 3.27Å
1351	T	64.1	Low	66.9	Low	39.8 Å²	39.8	80.3 Å²	80.3	24%	0.244	44%	0.443	C	S	.	.			trans	-104.2	125.2	177.6	57.7	0	0	0	0	111.4	N1345 R1348 E1364 T1365	N1345-T1351 HydrophobicContact CB-CG2 3.92Å; N1345-T1351 PolarHBondContact O-OG1 3.2Å; N1345-T1351 VanDerWaalsContact O-OG1 3.07Å; R1348-T1351 HydrophobicContact CB-CG2 3.89Å; R1348-T1351 PolarHBondContact O-N 2.91Å; R1348-T1351 PolarHBondContact O-OG1 3.12Å; R1348-T1351 VanDerWaalsContact O-OG1 3.12Å; T1351-E1364 CarbonylContact C-O 3.49Å; T1351-E1364 VanDerWaalsContact CA-O 3.26Å; T1351-E1364 WeakPolarHBondContact CA-O 3.38Å; T1351-T1365 HydrophobicContact CG2-CG2 3.72Å
1352	T	71.7	Confident	67.3	Low	63.4 Å²	63.4	80.2 Å²	80.2	39%	0.389	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.7	168.1	58.2	0	0	0	0	109.5	V1363 E1364	T1352-V1363 CarbonylContact O-C 3.44Å; T1352-V1363 VanDerWaalsContact O-CA 3.31Å; T1352-V1363 WeakPolarHBondContact O-CA 3.39Å; T1352-E1364 PolarHBondContact N-O 3.19Å; T1352-E1364 PolarHBondContact O-N 2.95Å; T1352-E1364 VanDerWaalsContact OG1-CB 3.29Å; T1352-E1364 WeakPolarHBondContact OG1-CB 3.32Å; T1352-E1364 PolarHBondContact OG1-OE2 3.02Å
1353	H	73.7	Confident	68.2	Low	102.6 Å²	102.6	77.2 Å²	77.2	48%	0.475	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.1	178.7	-163	-80.8	0	0	0	109.8	L1362 V1363	H1353-L1362 CarbonylContact C-O 3.51Å; H1353-L1362 WeakPolarHBondContact CA-O 3.32Å; H1353-V1363 WeakPolarHBondContact ND1-CG2 3.37Å
1354	V	78	Confident	69.2	Low	70.4 Å²	70.4	72.7 Å²	72.7	43%	0.427	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.4	-177.9	-177.3	0	0	0	0	109.7	S1361 L1362	V1354-S1361 CarbonylContact O-C 3.31Å; V1354-L1362 HydrophobicContact CB-CB 4.37Å; V1354-L1362 PolarHBondContact N-O 3.11Å; V1354-L1362 PolarHBondContact O-N 3.01Å
1355	S	74.9	Confident	70.6	Confident	103 Å²	103	68.2 Å²	68.2	72%	0.72	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.9	172	-58.5	0	0	0	0	110.5
1356	L	75.6	Confident	72.3	Confident	42.6 Å²	42.6	71.5 Å²	71.5	22%	0.223	40%	0.396	C	S	.	.			trans	-108	164.7	178.8	-66.3	177.2	0	0	0	110.7	W1360 L1362 I1389 P1435	L1356-W1360 CarbonylContact C-O 3.54Å; L1356-W1360 WeakPolarHBondContact CA-O 3.23Å; L1356-W1360 HydrophobicContact CB-CB 3.81Å; L1356-W1360 WeakPolarHBondContact CB-O 3.36Å; L1356-W1360 HydrophobicContact CD1-CB 4.32Å; L1356-W1360 PolarHBondContact N-O 3.05Å; L1356-W1360 VanDerWaalsContact O-O 3.1Å; L1356-L1362 HydrophobicContact CD1-CB 3.91Å; L1356-L1362 HydrophobicContact CG-CB 4.23Å; L1356-I1389 HydrophobicContact CD1-CD1 4.05Å; L1356-P1435 HydrophobicContact CD2-CG 4.41Å
1357	P	67.8	Low	73.9	Confident	65.6 Å²	65.6	68.9 Å²	68.9	43%	0.426	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-59.5	164	174.1	-21.7	32.3	0	0	0	113.5	G1359 W1360 Y1428 P1435	P1357-G1359 PolarHBondContact O-N 3.03Å; P1357-G1359 VanDerWaalsContact O-N 3.12Å; P1357-W1360 PolarHBondContact O-N 3.15Å; P1357-Y1428 HydrophobicContact CB-CE2 4.32Å; P1357-Y1428 HydrophobicContact CG-CD2 3.95Å; P1357-Y1428 VanDerWaalsContact CG-CD2 3.45Å; P1357-Y1428 HydrophobicContact CG-CE1 4.31Å; P1357-Y1428 HydrophobicContact CG-CE2 3.28Å; P1357-Y1428 VanDerWaalsContact CG-CE2 3.44Å; P1357-Y1428 HydrophobicContact CG-CG 4.35Å; P1357-Y1428 WeakPolarHBondContact CG-OH 3.3Å; P1357-P1435 HydrophobicContact CB-CB 4.34Å; P1357-P1435 HydrophobicContact CG-CB 4.12Å; P1357-P1435 HydrophobicContact CG-CG 4.4Å
1358	E	69	Low	75.6	Confident	100 Å²	100	68.6 Å²	68.6	47%	0.467	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	60.1	20.5	-179	-55.7	178.6	-178.6	0	0	114.6	W1360 K1387 S1421 Q1423 Q1424	E1358-W1360 VanDerWaalsContact C-N 3.32Å; E1358-W1360 PolarHBondContact O-N 2.89Å; E1358-K1387 PolarHBondContact O-NZ 2.95Å; E1358-S1421 PolarHBondContact OE2-OG 3.41Å; E1358-S1421 VanDerWaalsContact OE2-OG 3.14Å; E1358-Q1423 PolarHBondContact OE1-OE1 2.82Å; E1358-Q1424 WeakPolarHBondContact OE2-CG 3.33Å; E1358-Q1424 PolarHBondContact OE2-NE2 3.43Å; E1358-Q1424 VanDerWaalsContact OE2-NE2 3.16Å
1359	G	74.1	Confident	77.2	Confident	61.2 Å²	61.2	62.9 Å²	62.9	63%	0.631	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	79.2	13.3	178.2	0	0	0	0	0	114.4	P1357	P1357-G1359 PolarHBondContact O-N 3.03Å; P1357-G1359 VanDerWaalsContact O-N 3.12Å
1360	W	80.2	Confident	78.7	Confident	17.2 Å²	17.2	56.3 Å²	56.3	7%	0.065	32%	0.318	C	S	.	.			trans	-74.5	148.3	173.4	-75.4	92.5	0	0	0	111.5	L1356 P1357 E1358 K1387 I1389 P1419 Q1424 V1515 D1516	L1356-W1360 CarbonylContact C-O 3.54Å; L1356-W1360 WeakPolarHBondContact CA-O 3.23Å; L1356-W1360 HydrophobicContact CB-CB 3.81Å; L1356-W1360 WeakPolarHBondContact CB-O 3.36Å; L1356-W1360 HydrophobicContact CD1-CB 4.32Å; L1356-W1360 PolarHBondContact N-O 3.05Å; L1356-W1360 VanDerWaalsContact O-O 3.1Å; P1357-W1360 PolarHBondContact O-N 3.15Å; E1358-W1360 VanDerWaalsContact C-N 3.32Å; E1358-W1360 PolarHBondContact O-N 2.89Å; W1360-K1387 CarbonylContact C-O 3.55Å; W1360-K1387 VanDerWaalsContact CA-O 3.29Å; W1360-K1387 WeakPolarHBondContact CA-O 3.34Å; W1360-K1387 HydrophobicContact CD2-CB 4.08Å; W1360-K1387 HydrophobicContact CD2-CD 4.23Å; W1360-K1387 HydrophobicContact CD2-CG 3.92Å; W1360-K1387 VanDerWaalsContact CE2-CE 3.44Å; W1360-K1387 VanDerWaalsContact CE3-C 3.49Å; W1360-K1387 HydrophobicContact CE3-CB 4.13Å; W1360-K1387 HydrophobicContact CE3-CG 3.76Å; W1360-K1387 HydrophobicContact CG-CB 4.4Å; W1360-K1387 HydrophobicContact CG-CD 4.38Å; W1360-K1387 HydrophobicContact CG-CG 4.17Å; W1360-K1387 HydrophobicContact CH2-CG 4.15Å; W1360-K1387 HydrophobicContact CZ2-CD 4.48Å; W1360-K1387 HydrophobicContact CZ2-CG 4.22Å; W1360-K1387 HydrophobicContact CZ3-CB 4.5Å; W1360-K1387 HydrophobicContact CZ3-CG 4Å; W1360-K1387 VanDerWaalsContact NE1-CE 3.26Å; W1360-I1389 HydrophobicContact CD2-CG1 4.4Å; W1360-I1389 HydrophobicContact CE3-CD1 4.36Å; W1360-I1389 HydrophobicContact CE3-CG1 3.73Å; W1360-I1389 HydrophobicContact CZ3-CG1 4.02Å; W1360-P1419 HydrophobicContact CH2-CB 3.86Å; W1360-P1419 HydrophobicContact CH2-CG 4.34Å; W1360-P1419 HydrophobicContact CZ2-CB 4.17Å; W1360-Q1424 VanDerWaalsContact NE1-NE2 3.1Å; W1360-V1515 VanDerWaalsContact CZ3-O 3.24Å; W1360-V1515 WeakPolarHBondContact CZ3-O 3.36Å; W1360-D1516 HydrophobicContact CH2-CB 3.99Å; W1360-D1516 HydrophobicContact CZ2-CB 4.25Å
1361	S	82.8	Confident	79.4	Confident	18 Å²	18	55.3 Å²	55.3	13%	0.126	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.5	167.1	59	0	0	0	0	110.1	V1354 K1387 T1388 I1389	V1354-S1361 CarbonylContact O-C 3.31Å; S1361-K1387 PolarHBondContact N-O 3.01Å; S1361-K1387 PolarHBondContact OG-O 3.22Å; S1361-K1387 VanDerWaalsContact OG-O 3.12Å; S1361-T1388 CarbonylContact O-C 3.54Å; S1361-T1388 VanDerWaalsContact O-CA 3.31Å; S1361-T1388 WeakPolarHBondContact O-CA 3.05Å; S1361-T1388 WeakPolarHBondContact OG-CB 3.31Å; S1361-T1388 VanDerWaalsContact OG-CG2 3.29Å; S1361-T1388 WeakPolarHBondContact OG-CG2 3.22Å; S1361-T1388 PolarHBondContact OG-OG1 3.07Å; S1361-T1388 VanDerWaalsContact OG-OG1 3.11Å; S1361-I1389 PolarHBondContact O-N 3.17Å
1362	L	84	Confident	80	Confident	20 Å²	20	59.6 Å²	59.6	11%	0.105	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.2	173.6	175.3	67.1	0	0	0	108.4	H1353 V1354 L1356 E1364 I1389 R1391	H1353-L1362 CarbonylContact C-O 3.51Å; H1353-L1362 WeakPolarHBondContact CA-O 3.32Å; V1354-L1362 HydrophobicContact CB-CB 4.37Å; V1354-L1362 PolarHBondContact N-O 3.11Å; V1354-L1362 PolarHBondContact O-N 3.01Å; L1356-L1362 HydrophobicContact CD1-CB 3.91Å; L1356-L1362 HydrophobicContact CG-CB 4.23Å; L1362-E1364 HydrophobicContact CD1-CG 4.08Å; L1362-E1364 HydrophobicContact CD2-CG 4.1Å; L1362-E1364 HydrophobicContact CG-CG 3.88Å; L1362-I1389 CarbonylContact C-O 3.57Å; L1362-I1389 WeakPolarHBondContact CA-O 3.23Å; L1362-I1389 HydrophobicContact CD1-CB 3.9Å; L1362-I1389 HydrophobicContact CD1-CG2 3.73Å; L1362-R1391 HydrophobicContact CD1-CB 4.37Å
1363	V	86.2	Confident	80.3	Confident	4.4 Å²	4.4	57.8 Å²	57.8	3%	0.027	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	109.3	176.9	-178.8	0	0	0	0	107.9	I1342 T1352 H1353 T1365 T1388 I1389 Y1390 R1391	I1342-V1363 HydrophobicContact CD1-CG1 4.46Å; I1342-V1363 HydrophobicContact CG1-CG2 4.36Å; T1352-V1363 CarbonylContact O-C 3.44Å; T1352-V1363 VanDerWaalsContact O-CA 3.31Å; T1352-V1363 WeakPolarHBondContact O-CA 3.39Å; H1353-V1363 WeakPolarHBondContact ND1-CG2 3.37Å; V1363-T1365 HydrophobicContact CG1-CG2 4.27Å; V1363-T1388 HydrophobicContact CG2-CG2 3.84Å; V1363-I1389 PolarHBondContact N-O 2.86Å; V1363-Y1390 HydrophobicContact CB-CD1 3.79Å; V1363-Y1390 HydrophobicContact CB-CE1 4.2Å; V1363-Y1390 HydrophobicContact CG1-CD1 4.02Å; V1363-Y1390 HydrophobicContact CG1-CE1 4.34Å; V1363-Y1390 HydrophobicContact CG2-CD1 4.2Å; V1363-Y1390 HydrophobicContact CG2-CE1 4.14Å; V1363-Y1390 CarbonylContact O-C 3.46Å; V1363-Y1390 WeakPolarHBondContact O-CA 3.29Å; V1363-R1391 PolarHBondContact O-N 3Å
1364	E	87.7	Confident	80.8	Confident	36.6 Å²	36.6	53.8 Å²	53.8	17%	0.171	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.7	176.1	-44.6	-173.9	126.7	0	0	111.3	T1351 T1352 L1362 R1391 F1480	T1351-E1364 CarbonylContact C-O 3.49Å; T1351-E1364 VanDerWaalsContact CA-O 3.26Å; T1351-E1364 WeakPolarHBondContact CA-O 3.38Å; T1352-E1364 PolarHBondContact N-O 3.19Å; T1352-E1364 PolarHBondContact O-N 2.95Å; T1352-E1364 VanDerWaalsContact OG1-CB 3.29Å; T1352-E1364 WeakPolarHBondContact OG1-CB 3.32Å; T1352-E1364 PolarHBondContact OG1-OE2 3.02Å; L1362-E1364 HydrophobicContact CD1-CG 4.08Å; L1362-E1364 HydrophobicContact CD2-CG 4.1Å; L1362-E1364 HydrophobicContact CG-CG 3.88Å; E1364-R1391 CarbonylContact C-O 3.57Å; E1364-R1391 VanDerWaalsContact CA-O 3.23Å; E1364-R1391 WeakPolarHBondContact CA-O 3.32Å; E1364-R1391 HydrophobicContact CG-CB 4.29Å; E1364-R1391 WeakPolarHBondContact OE1-CD 3.27Å; E1364-R1391 IonicContact OE1-CZ 3.07Å; E1364-R1391 IonicContact OE1-NE 3.68Å; E1364-R1391 IonicContact OE1-NH1 3.23Å; E1364-R1391 PolarHBondContact OE1-NH1 3.19Å; E1364-F1480 HydrophobicContact CB-CE1 4.31Å; E1364-F1480 HydrophobicContact CB-CZ 4.01Å; E1364-F1480 HydrophobicContact CG-CE1 4.36Å; E1364-F1480 HydrophobicContact CG-CZ 4.43Å; E1364-F1480 WeakPolarHBondContact OE1-CE1 3.49Å
1365	T	88.2	Confident	81.3	Confident	13 Å²	13	51.5 Å²	51.5	8%	0.08	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.6	-179.3	61.1	0	0	0	0	111.6	T1351 V1363 R1391 T1392 E1393	T1351-T1365 HydrophobicContact CG2-CG2 3.72Å; V1363-T1365 HydrophobicContact CG1-CG2 4.27Å; T1365-R1391 PolarHBondContact N-O 3.06Å; T1365-R1391 PolarHBondContact OG1-O 2.94Å; T1365-T1392 CarbonylContact O-C 3.54Å; T1365-T1392 VanDerWaalsContact O-CA 3.29Å; T1365-T1392 WeakPolarHBondContact O-CA 3.38Å; T1365-T1392 WeakPolarHBondContact OG1-CB 3.42Å; T1365-T1392 VanDerWaalsContact OG1-CG2 3.3Å; T1365-T1392 WeakPolarHBondContact OG1-CG2 3.42Å; T1365-T1392 PolarHBondContact OG1-OG1 3.1Å; T1365-E1393 PolarHBondContact O-N 3.07Å
1366	Y	88.9	Confident	82	Confident	105.4 Å²	105.4	46.8 Å²	46.8	41%	0.413	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.1	177.6	-65.4	-99.9	0	0	0	109.2	E1393 F1480	Y1366-E1393 HydrophobicContact CD1-CB 4.18Å; Y1366-E1393 HydrophobicContact CE1-CB 4.46Å; Y1366-F1480 AromaticContact CD1-CD2 3.94Å; Y1366-F1480 HydrophobicContact CD1-CD2 3.98Å; Y1366-F1480 HydrophobicContact CD1-CE2 4.14Å; Y1366-F1480 HydrophobicContact CD2-CE2 4.44Å; Y1366-F1480 HydrophobicContact CE1-CB 4.46Å; Y1366-F1480 AromaticContact CE1-CD2 3.28Å; Y1366-F1480 HydrophobicContact CE1-CD2 3.28Å; Y1366-F1480 AromaticContact CE1-CE2 3.77Å; Y1366-F1480 HydrophobicContact CE1-CE2 3.77Å; Y1366-F1480 HydrophobicContact CE1-CG 4.29Å; Y1366-F1480 HydrophobicContact CE2-CD2 4.29Å; Y1366-F1480 HydrophobicContact CE2-CE2 4.15Å; Y1366-F1480 HydrophobicContact CG-CE2 4.49Å; Y1366-F1480 AromaticContact CZ-CD2 3.44Å; Y1366-F1480 VanDerWaalsContact CZ-CD2 3.46Å; Y1366-F1480 AromaticContact CZ-CE2 3.75Å; Y1366-F1480 WeakPolarHBondContact OH-CD2 3.03Å
1367	E	88.9	Confident	82.7	Confident	35.6 Å²	35.6	44.8 Å²	44.8	17%	0.166	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.3	179.5	-70.5	-68.8	175	0	0	110.6	L1336 L1338 R1348 T1392 E1393 L1394 S1395	L1336-E1367 HydrophobicContact CD1-CG 4.37Å; L1338-E1367 HydrophobicContact CD2-CB 4.45Å; L1338-E1367 HydrophobicContact CD2-CG 3.74Å; R1348-E1367 IonicContact NH1-OE1 3.66Å; R1348-E1367 PolarHBondContact NH1-OE1 3.04Å; E1367-T1392 HydrophobicContact CB-CG2 4.06Å; E1367-T1392 HydrophobicContact CG-CG2 3.79Å; E1367-E1393 PolarHBondContact N-O 2.96Å; E1367-L1394 HydrophobicContact CB-CD2 3.97Å; E1367-S1395 PolarHBondContact O-N 3.07Å; E1367-S1395 PolarHBondContact O-OG 3.16Å
1368	K	87.5	Confident	83.7	Confident	146.4 Å²	146.4	43.1 Å²	43.1	64%	0.637	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	119	-179.8	-76.9	-175.2	172.7	-172.1	0	109.9	S1395 N1397	K1368-S1395 CarbonylContact C-O 3.56Å; K1368-S1395 VanDerWaalsContact CA-O 3.28Å; K1368-S1395 WeakPolarHBondContact CA-O 3.3Å; K1368-N1397 HydrophobicContact CB-CB 4.25Å; K1368-N1397 HydrophobicContact CD-CB 4.45Å; K1368-N1397 WeakPolarHBondContact CD-OD1 3.36Å; K1368-N1397 PolarHBondContact NZ-OD1 3.26Å
1369	L	86.7	Confident	84.6	Confident	7.6 Å²	7.6	38.6 Å²	38.6	4%	0.04	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	142.2	179.1	-61.1	177.9	0	0	0	111.3	L1336 I1375 L1394 S1395 I1396 N1397 I1405 I1527 V1529	L1336-L1369 HydrophobicContact CD2-CD2 4.17Å; L1369-I1375 HydrophobicContact CB-CD1 3.99Å; L1369-I1375 HydrophobicContact CD2-CD1 3.83Å; L1369-I1375 HydrophobicContact CG-CD1 4.4Å; L1369-L1394 HydrophobicContact CD1-CB 4Å; L1369-L1394 HydrophobicContact CD1-CD1 4.35Å; L1369-L1394 HydrophobicContact CD2-CB 4.45Å; L1369-L1394 HydrophobicContact CD2-CD1 4.38Å; L1369-L1394 HydrophobicContact CD2-CD2 4.26Å; L1369-L1394 HydrophobicContact CG-CB 4.33Å; L1369-S1395 PolarHBondContact N-O 2.89Å; L1369-I1396 HydrophobicContact CB-CG1 4.11Å; L1369-I1396 HydrophobicContact CD1-CG1 4.39Å; L1369-N1397 WeakPolarHBondContact O-CB 3.35Å; L1369-N1397 PolarHBondContact O-N 3.26Å; L1369-I1405 HydrophobicContact CD1-CD1 3.94Å; L1369-I1405 HydrophobicContact CD1-CG1 4.11Å; L1369-I1405 HydrophobicContact CD1-CG2 4.05Å; L1369-I1527 HydrophobicContact CD1-CG2 3.81Å; L1369-I1527 HydrophobicContact CD2-CD1 4.46Å; L1369-I1527 HydrophobicContact CD2-CG2 4.34Å; L1369-V1529 HydrophobicContact CB-CG2 4.21Å; L1369-V1529 HydrophobicContact CD1-CG2 4.43Å
1370	S	82.1	Confident	85.1	Confident	59 Å²	59	37.2 Å²	37.2	41%	0.413	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-64.5	137.2	167.3	174.2	0	0	0	0	110	N1372 V1529	S1370-N1372 WeakPolarHBondContact CB-O 3.18Å; S1370-N1372 PolarHBondContact O-N 2.99Å; S1370-N1372 PolarHBondContact OG-N 3.04Å; S1370-N1372 PolarHBondContact OG-O 2.87Å; S1370-V1529 VanDerWaalsContact O-CG2 3.3Å; S1370-V1529 WeakPolarHBondContact O-CG2 3.34Å
1371	P	76	Confident	85.3	Confident	48.6 Å²	48.6	40.7 Å²	40.7	32%	0.316	22%	0.221	S	C	.	.	S	Bend	trans	-70.5	-15	176.6	29.3	-35	0	0	0	113.3	I1396 D1398 V1529	P1371-I1396 HydrophobicContact CB-CG2 4.25Å; P1371-D1398 HydrophobicContact CB-CB 4.23Å; P1371-D1398 HydrophobicContact CG-CB 4.44Å; P1371-V1529 WeakPolarHBondContact O-CB 3.5Å
1372	N	75.3	Confident	85	Confident	130 Å²	130	40.3 Å²	40.3	70%	0.695	22%	0.219	S	C	*	.	S	Bend	trans	-126.8	144.4	-176.8	-66	-26.7	0	0	0	111.5	S1370	S1370-N1372 WeakPolarHBondContact CB-O 3.18Å; S1370-N1372 PolarHBondContact O-N 2.99Å; S1370-N1372 PolarHBondContact OG-N 3.04Å; S1370-N1372 PolarHBondContact OG-O 2.87Å
1373	G	78.2	Confident	84.6	Confident	26.6 Å²	26.6	45.2 Å²	45.2	27%	0.274	24%	0.24	S	C	.	.	S	Bend	trans	99.2	-177.4	175.9	0	0	0	0	0	113.8	D1214	D1214-G1373 VanDerWaalsContact OD1-CA 3.3Å; D1214-G1373 WeakPolarHBondContact OD1-CA 3.43Å
1374	I	85	Confident	84.2	Confident	18.6 Å²	18.6	48.2 Å²	48.2	10%	0.095	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.3	171.4	-56.4	172.3	0	0	0	107.6	D1214 S1215 S1217 R1218 Y1247 N1271 F1376 S1526 Q1528	D1214-I1374 PolarHBondContact OD1-N 3.13Å; S1215-I1374 WeakPolarHBondContact CB-O 3.4Å; S1217-I1374 WeakPolarHBondContact OG-CD1 3.49Å; R1218-I1374 VanDerWaalsContact NH2-CG1 3.33Å; Y1247-I1374 HydrophobicContact CD1-CD1 4.27Å; Y1247-I1374 HydrophobicContact CE1-CD1 3.72Å; Y1247-I1374 HydrophobicContact CE1-CG2 4.38Å; N1271-I1374 HydrophobicContact CB-CD1 4.33Å; N1271-I1374 WeakPolarHBondContact ND2-CD1 3.37Å; I1374-F1376 HydrophobicContact CB-CE2 4.26Å; I1374-F1376 HydrophobicContact CB-CZ 4.46Å; I1374-F1376 HydrophobicContact CG2-CD2 4.32Å; I1374-F1376 HydrophobicContact CG2-CE1 4.24Å; I1374-F1376 HydrophobicContact CG2-CE2 3.96Å; I1374-F1376 HydrophobicContact CG2-CZ 3.86Å; I1374-S1526 WeakPolarHBondContact CG2-OG 3.41Å; I1374-Q1528 HydrophobicContact CB-CG 4.46Å; I1374-Q1528 HydrophobicContact CG1-CG 4.11Å; I1374-Q1528 HydrophobicContact CG2-CG 4.15Å
1375	I	88	Confident	83.8	Confident	22.6 Å²	22.6	51.9 Å²	51.9	12%	0.116	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.4	178.5	-58.5	171.7	0	0	0	107.4	T1335 L1336 L1369 V1377 I1527	T1335-I1375 VanDerWaalsContact OG1-CA 3.32Å; T1335-I1375 WeakPolarHBondContact OG1-CA 3.38Å; T1335-I1375 WeakPolarHBondContact OG1-CG2 3.31Å; L1336-I1375 HydrophobicContact CB-CG2 3.81Å; L1336-I1375 HydrophobicContact CD2-CG2 4.27Å; L1369-I1375 HydrophobicContact CB-CD1 3.99Å; L1369-I1375 HydrophobicContact CD2-CD1 3.83Å; L1369-I1375 HydrophobicContact CG-CD1 4.4Å; I1375-V1377 HydrophobicContact CG2-CG2 4.06Å; I1375-I1527 HydrophobicContact CB-CB 4.32Å; I1375-I1527 PolarHBondContact N-O 3.04Å; I1375-I1527 PolarHBondContact O-N 3.26Å
1376	F	89.6	Confident	83.5	Confident	3.4 Å²	3.4	52.4 Å²	52.4	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.9	171.1	-66.3	-76.2	0	0	0	109.5	A1212 Y1247 I1332 T1335 L1336 I1374 L1410 F1525	A1212-F1376 HydrophobicContact CB-CD1 4.41Å; A1212-F1376 HydrophobicContact CB-CD2 4.39Å; A1212-F1376 HydrophobicContact CB-CE1 3.97Å; A1212-F1376 HydrophobicContact CB-CE2 4.21Å; A1212-F1376 HydrophobicContact CB-CZ 3.94Å; Y1247-F1376 HydrophobicContact CD1-CE1 4.26Å; Y1247-F1376 AromaticContact CD1-CZ 3.8Å; Y1247-F1376 HydrophobicContact CD1-CZ 3.84Å; Y1247-F1376 AromaticContact CD2-CE1 3.85Å; Y1247-F1376 HydrophobicContact CD2-CE1 4.02Å; Y1247-F1376 HydrophobicContact CD2-CZ 4.26Å; Y1247-F1376 HydrophobicContact CE1-CE1 4.35Å; Y1247-F1376 HydrophobicContact CE1-CZ 4.3Å; Y1247-F1376 HydrophobicContact CE2-CE1 4.16Å; Y1247-F1376 AromaticContact CG-CE1 3.91Å; Y1247-F1376 HydrophobicContact CG-CE1 4.02Å; Y1247-F1376 AromaticContact CG-CZ 3.83Å; Y1247-F1376 HydrophobicContact CG-CZ 3.87Å; I1332-F1376 HydrophobicContact CD1-CB 4.01Å; I1332-F1376 HydrophobicContact CD1-CD1 3.85Å; I1332-F1376 HydrophobicContact CD1-CE1 4.34Å; I1332-F1376 HydrophobicContact CD1-CG 3.97Å; I1332-F1376 HydrophobicContact CG1-CB 4.19Å; I1332-F1376 HydrophobicContact CG1-CD1 4.33Å; I1332-F1376 HydrophobicContact CG1-CD2 4.49Å; I1332-F1376 HydrophobicContact CG1-CG 4.18Å; I1332-F1376 HydrophobicContact CG2-CB 3.79Å; I1332-F1376 HydrophobicContact CG2-CD2 3.76Å; I1332-F1376 HydrophobicContact CG2-CG 3.82Å; T1335-F1376 CarbonylContact C-O 3.57Å; T1335-F1376 VanDerWaalsContact CA-O 3.27Å; T1335-F1376 WeakPolarHBondContact CA-O 3.41Å; T1335-F1376 HydrophobicContact CG2-CB 4.08Å; T1335-F1376 PolarHBondContact N-O 3.08Å; T1335-F1376 PolarHBondContact OG1-N 3.32Å; T1335-F1376 PolarHBondContact OG1-O 2.84Å; T1335-F1376 VanDerWaalsContact OG1-O 3.1Å; L1336-F1376 PolarHBondContact N-O 3.19Å; L1336-F1376 VanDerWaalsContact N-O 3.12Å; I1374-F1376 HydrophobicContact CB-CE2 4.26Å; I1374-F1376 HydrophobicContact CB-CZ 4.46Å; I1374-F1376 HydrophobicContact CG2-CD2 4.32Å; I1374-F1376 HydrophobicContact CG2-CE1 4.24Å; I1374-F1376 HydrophobicContact CG2-CE2 3.96Å; I1374-F1376 HydrophobicContact CG2-CZ 3.86Å; F1376-L1410 HydrophobicContact CD1-CD1 4.07Å; F1376-L1410 HydrophobicContact CE1-CD1 4.05Å; F1376-F1525 CarbonylContact C-O 3.44Å; F1376-F1525 WeakPolarHBondContact CA-O 3.38Å
1377	V	90	Very high	83.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.7	-174.6	-177.6	0	0	0	0	110.1	L1336 L1338 I1375 L1524 F1525 I1527	L1336-V1377 HydrophobicContact CB-CG2 4.23Å; L1336-V1377 HydrophobicContact CD2-CG2 4.08Å; L1336-V1377 HydrophobicContact CG-CG2 4.46Å; L1336-V1377 CarbonylContact O-C 3.55Å; L1336-V1377 VanDerWaalsContact O-CA 3.3Å; L1336-V1377 WeakPolarHBondContact O-CA 3.37Å; L1336-V1377 WeakPolarHBondContact O-CG1 3.33Å; L1338-V1377 HydrophobicContact CB-CG1 4.15Å; L1338-V1377 HydrophobicContact CD1-CG1 3.53Å; L1338-V1377 VanDerWaalsContact CD1-CG1 3.48Å; L1338-V1377 HydrophobicContact CG-CG1 3.53Å; L1338-V1377 VanDerWaalsContact CG-CG1 3.5Å; I1375-V1377 HydrophobicContact CG2-CG2 4.06Å; V1377-L1524 CarbonylContact O-C 3.51Å; V1377-L1524 WeakPolarHBondContact O-CA 3.25Å; V1377-L1524 VanDerWaalsContact O-CD1 3.26Å; V1377-L1524 WeakPolarHBondContact O-CD1 3.42Å; V1377-F1525 HydrophobicContact CB-CB 4.2Å; V1377-F1525 HydrophobicContact CB-CD2 4.22Å; V1377-F1525 HydrophobicContact CG1-CD2 4.23Å; V1377-F1525 PolarHBondContact N-O 3.03Å; V1377-F1525 PolarHBondContact O-N 3.25Å; V1377-I1527 HydrophobicContact CB-CD1 4.49Å; V1377-I1527 HydrophobicContact CG2-CB 4.49Å; V1377-I1527 HydrophobicContact CG2-CD1 3.58Å; V1377-I1527 HydrophobicContact CG2-CG1 3.84Å
1378	N	89.7	Confident	83.1	Confident	31.6 Å²	31.6	49.3 Å²	49.3	17%	0.169	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	158.1	174.5	69.6	-17.1	0	0	0	112.5	P1334 T1335 L1336 T1337 L1338 L1524	P1334-N1378 HydrophobicContact CB-CB 4.25Å; T1335-N1378 PolarHBondContact OG1-ND2 2.8Å; L1336-N1378 PolarHBondContact O-N 3.06Å; L1336-N1378 VanDerWaalsContact O-N 3.12Å; L1336-N1378 PolarHBondContact O-OD1 2.95Å; L1336-N1378 VanDerWaalsContact O-OD1 3.11Å; T1337-N1378 WeakPolarHBondContact CA-O 3.35Å; T1337-N1378 VanDerWaalsContact CA-OD1 3.3Å; T1337-N1378 WeakPolarHBondContact CA-OD1 3.3Å; T1337-N1378 VanDerWaalsContact CB-OD1 3.31Å; T1337-N1378 WeakPolarHBondContact CB-OD1 3.39Å; T1337-N1378 WeakPolarHBondContact CG2-OD1 3.39Å; T1337-N1378 PolarHBondContact OG1-OD1 3.15Å; L1338-N1378 PolarHBondContact N-O 3.08Å; N1378-L1524 HydrophobicContact CB-CD1 4.09Å
1379	V	88.2	Confident	83.1	Confident	4.6 Å²	4.6	42.9 Å²	42.9	3%	0.028	24%	0.243	C	C	.	.			trans	-113.7	128.7	174.3	178.4	0	0	0	0	108.8	F1339 L1513 K1519 G1521 F1523 F1525	F1339-V1379 HydrophobicContact CB-CG1 4.35Å; F1339-V1379 HydrophobicContact CD2-CB 4.49Å; F1339-V1379 HydrophobicContact CD2-CG1 4.09Å; F1339-V1379 HydrophobicContact CD2-CG2 3.62Å; F1339-V1379 HydrophobicContact CE2-CG2 4.08Å; V1379-L1513 HydrophobicContact CG1-CD2 4.06Å; V1379-K1519 HydrophobicContact CG1-CD 4Å; V1379-K1519 HydrophobicContact CG1-CG 4.34Å; V1379-G1521 CarbonylContact O-C 3.49Å; V1379-G1521 WeakPolarHBondContact O-CA 3.39Å; V1379-G1521 VanDerWaalsContact O-O 3.1Å; V1379-F1523 HydrophobicContact CB-CB 4.15Å; V1379-F1523 HydrophobicContact CG2-CB 3.67Å; V1379-F1523 PolarHBondContact N-O 3.07Å; V1379-F1525 HydrophobicContact CG2-CE2 4.43Å
1380	P	84.7	Confident	83.3	Confident	31 Å²	31	42.7 Å²	42.7	20%	0.201	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-75.2	149.8	-178.6	30	-31.5	0	0	0	111.4	T1337 L1338 H1340 K1519	T1337-P1380 HydrophobicContact CG2-CB 4.32Å; T1337-P1380 HydrophobicContact CG2-CG 4.13Å; L1338-P1380 WeakPolarHBondContact O-CD 3.35Å; H1340-P1380 HydrophobicContact CB-CG 4.18Å; P1380-K1519 WeakPolarHBondContact O-CE 3.33Å
1381	V	82.4	Confident	83.7	Confident	91.8 Å²	91.8	41.3 Å²	41.3	56%	0.556	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-66.2	139.2	173.1	-172.3	0	0	0	0	110	N1341	N1341-V1381 PolarHBondContact ND2-O 3.27Å; N1341-V1381 VanDerWaalsContact ND2-O 3.14Å
1382	G	77.7	Confident	84.4	Confident	9 Å²	9	39 Å²	39	9%	0.093	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-66.9	142.3	175.4	0	0	0	0	0	112.1	L1518 K1519	G1382-L1518 VanDerWaalsContact O-CD1 3.3Å; G1382-L1518 WeakPolarHBondContact O-CD1 3.38Å; G1382-K1519 PolarHBondContact N-O 2.96Å
1383	K	76.2	Confident	85.2	Confident	123.2 Å²	123.2	33.1 Å²	33.1	54%	0.536	18%	0.18	S	C	.	.	S	Bend	trans	-88.5	-24	176.1	-67	176.4	-174.6	167	0	113	E1343 E1344	E1343-K1383 IonicContact OE1-NZ 3.74Å; E1343-K1383 PolarHBondContact OE1-NZ 2.86Å; E1343-K1383 VanDerWaalsContact OE2-CD 3.23Å; E1343-K1383 WeakPolarHBondContact OE2-CD 3.44Å; E1343-K1383 IonicContact OE2-NZ 2.78Å; E1343-K1383 PolarHBondContact OE2-NZ 3.3Å; E1344-K1383 WeakPolarHBondContact OE1-CE 3.31Å; E1344-K1383 IonicContact OE1-NZ 3.17Å; E1344-K1383 PolarHBondContact OE1-NZ 3.04Å
1384	S	76.2	Confident	85.9	Confident	68.4 Å²	68.4	31.8 Å²	31.8	48%	0.478	17%	0.167	S	C	.	.	S	Bend	trans	-146.9	164.3	-175.8	55.1	0	0	0	0	110.7	E1386 L1518	S1384-E1386 PolarHBondContact O-N 3.03Å; S1384-L1518 WeakPolarHBondContact O-CD1 3.45Å
1385	M	80.6	Confident	86.1	Confident	114 Å²	114	31.6 Å²	31.6	56%	0.562	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	129.3	172	-65.4	-71.9	-143.8	0	0	109.6	T1467 I1468 G1517 L1518	M1385-T1467 HydrophobicContact CE-CG2 3.79Å; M1385-T1467 WeakPolarHBondContact CE-OG1 3.48Å; M1385-T1467 HydrophobicContact SD-CG2 4.33Å; M1385-I1468 HydrophobicContact CE-CG2 3.18Å; M1385-I1468 HydrophobicContact SD-CG2 3.77Å; M1385-G1517 VanDerWaalsContact SD-C 3.59Å; M1385-L1518 HydrophobicContact CE-CB 4.28Å; M1385-L1518 HydrophobicContact SD-CB 4.04Å; M1385-L1518 PolarHBondContact SD-N 3.24Å; M1385-L1518 VanDerWaalsContact SD-N 3.4Å
1386	E	81.4	Confident	86	Confident	23.4 Å²	23.4	30.8 Å²	30.8	11%	0.109	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.1	-178.3	66.4	180	167.7	0	0	112.1	N1341 S1384 T1388 Y1390 V1515 D1516 G1517 K1519	N1341-E1386 PolarHBondContact ND2-OE2 3.46Å; S1384-E1386 PolarHBondContact O-N 3.03Å; E1386-T1388 WeakPolarHBondContact CB-OG1 3.25Å; E1386-T1388 WeakPolarHBondContact OE2-CB 3.26Å; E1386-T1388 PolarHBondContact OE2-OG1 3.12Å; E1386-T1388 VanDerWaalsContact OE2-OG1 3.07Å; E1386-Y1390 VanDerWaalsContact CD-OH 3.26Å; E1386-Y1390 WeakPolarHBondContact OE1-CE2 3.38Å; E1386-Y1390 PolarHBondContact OE1-OH 3.01Å; E1386-Y1390 VanDerWaalsContact OE1-OH 3.11Å; E1386-Y1390 WeakPolarHBondContact OE2-CE2 3.33Å; E1386-Y1390 PolarHBondContact OE2-OH 3.2Å; E1386-Y1390 VanDerWaalsContact OE2-OH 3.12Å; E1386-V1515 HydrophobicContact CG-CB 4.29Å; E1386-V1515 HydrophobicContact CG-CG1 3.9Å; E1386-D1516 WeakPolarHBondContact O-CA 3.31Å; E1386-G1517 PolarHBondContact N-O 3.01Å; E1386-G1517 PolarHBondContact O-N 3.14Å; E1386-G1517 VanDerWaalsContact O-O 3.11Å; E1386-K1519 WeakPolarHBondContact OE1-CB 3.35Å; E1386-K1519 WeakPolarHBondContact OE1-CE 3.34Å; E1386-K1519 IonicContact OE1-NZ 3.36Å; E1386-K1519 PolarHBondContact OE1-NZ 3.13Å; E1386-K1519 IonicContact OE2-NZ 3.23Å
1387	K	85.5	Confident	85.4	Confident	73.8 Å²	73.8	36.1 Å²	36.1	32%	0.321	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	87.2	169.5	-114.5	-176.7	178.8	-172.6	0	107.7	E1358 W1360 S1361 V1515 D1516	E1358-K1387 PolarHBondContact O-NZ 2.95Å; W1360-K1387 CarbonylContact C-O 3.55Å; W1360-K1387 VanDerWaalsContact CA-O 3.29Å; W1360-K1387 WeakPolarHBondContact CA-O 3.34Å; W1360-K1387 HydrophobicContact CD2-CB 4.08Å; W1360-K1387 HydrophobicContact CD2-CD 4.23Å; W1360-K1387 HydrophobicContact CD2-CG 3.92Å; W1360-K1387 VanDerWaalsContact CE2-CE 3.44Å; W1360-K1387 VanDerWaalsContact CE3-C 3.49Å; W1360-K1387 HydrophobicContact CE3-CB 4.13Å; W1360-K1387 HydrophobicContact CE3-CG 3.76Å; W1360-K1387 HydrophobicContact CG-CB 4.4Å; W1360-K1387 HydrophobicContact CG-CD 4.38Å; W1360-K1387 HydrophobicContact CG-CG 4.17Å; W1360-K1387 HydrophobicContact CH2-CG 4.15Å; W1360-K1387 HydrophobicContact CZ2-CD 4.48Å; W1360-K1387 HydrophobicContact CZ2-CG 4.22Å; W1360-K1387 HydrophobicContact CZ3-CB 4.5Å; W1360-K1387 HydrophobicContact CZ3-CG 4Å; W1360-K1387 VanDerWaalsContact NE1-CE 3.26Å; S1361-K1387 PolarHBondContact N-O 3.01Å; S1361-K1387 PolarHBondContact OG-O 3.22Å; S1361-K1387 VanDerWaalsContact OG-O 3.12Å; K1387-V1515 CarbonylContact C-O 3.54Å; K1387-V1515 VanDerWaalsContact CA-O 3.28Å; K1387-V1515 WeakPolarHBondContact CA-O 3.25Å; K1387-D1516 WeakPolarHBondContact CE-OD1 3.34Å; K1387-D1516 HydrophobicContact CG-CB 4.33Å; K1387-D1516 WeakPolarHBondContact CG-OD1 3.36Å
1388	T	84.9	Confident	84.6	Confident	2.4 Å²	2.4	37.6 Å²	37.6	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.2	-163.7	-49.8	0	0	0	0	111.2	I1342 S1361 V1363 E1386 Y1390 R1514 V1515	I1342-T1388 HydrophobicContact CD1-CG2 4.24Å; I1342-T1388 HydrophobicContact CG1-CG2 4.45Å; S1361-T1388 CarbonylContact O-C 3.54Å; S1361-T1388 VanDerWaalsContact O-CA 3.31Å; S1361-T1388 WeakPolarHBondContact O-CA 3.05Å; S1361-T1388 WeakPolarHBondContact OG-CB 3.31Å; S1361-T1388 VanDerWaalsContact OG-CG2 3.29Å; S1361-T1388 WeakPolarHBondContact OG-CG2 3.22Å; S1361-T1388 PolarHBondContact OG-OG1 3.07Å; S1361-T1388 VanDerWaalsContact OG-OG1 3.11Å; V1363-T1388 HydrophobicContact CG2-CG2 3.84Å; E1386-T1388 WeakPolarHBondContact CB-OG1 3.25Å; E1386-T1388 WeakPolarHBondContact OE2-CB 3.26Å; E1386-T1388 PolarHBondContact OE2-OG1 3.12Å; E1386-T1388 VanDerWaalsContact OE2-OG1 3.07Å; T1388-Y1390 HydrophobicContact CG2-CD1 4.25Å; T1388-Y1390 HydrophobicContact CG2-CD2 3.81Å; T1388-Y1390 HydrophobicContact CG2-CE1 3.97Å; T1388-Y1390 HydrophobicContact CG2-CE2 3.49Å; T1388-Y1390 VanDerWaalsContact CG2-CE2 3.43Å; T1388-Y1390 HydrophobicContact CG2-CG 4.18Å; T1388-R1514 WeakPolarHBondContact O-CA 3.44Å; T1388-V1515 PolarHBondContact N-O 3.07Å; T1388-V1515 PolarHBondContact O-N 3.01Å
1389	I	87.2	Confident	83.6	Confident	12 Å²	12	44.3 Å²	44.3	6%	0.062	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	107.5	167.8	-55.1	-179.9	0	0	0	106.1	L1356 W1360 S1361 L1362 V1363 E1512 R1514	L1356-I1389 HydrophobicContact CD1-CD1 4.05Å; W1360-I1389 HydrophobicContact CD2-CG1 4.4Å; W1360-I1389 HydrophobicContact CE3-CD1 4.36Å; W1360-I1389 HydrophobicContact CE3-CG1 3.73Å; W1360-I1389 HydrophobicContact CZ3-CG1 4.02Å; S1361-I1389 PolarHBondContact O-N 3.17Å; L1362-I1389 CarbonylContact C-O 3.57Å; L1362-I1389 WeakPolarHBondContact CA-O 3.23Å; L1362-I1389 HydrophobicContact CD1-CB 3.9Å; L1362-I1389 HydrophobicContact CD1-CG2 3.73Å; V1363-I1389 PolarHBondContact N-O 2.86Å; I1389-E1512 HydrophobicContact CG2-CG 3.55Å; I1389-R1514 HydrophobicContact CG1-CG 4.26Å; I1389-R1514 HydrophobicContact CG2-CG 4.29Å
1390	Y	89.8	Confident	82.7	Confident	3 Å²	3	53.1 Å²	53.1	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.4	169.9	-63.4	-87.1	0	0	0	109	F1339 H1340 N1341 I1342 V1363 E1386 T1388 E1512 L1513 V1515 K1519	F1339-Y1390 HydrophobicContact CB-CD1 4.1Å; F1339-Y1390 HydrophobicContact CB-CD2 4.25Å; F1339-Y1390 HydrophobicContact CB-CG 3.85Å; F1339-Y1390 VanDerWaalsContact CD1-CB 3.41Å; F1339-Y1390 HydrophobicContact CD1-CG 4.24Å; F1339-Y1390 HydrophobicContact CG-CG 4.34Å; H1340-Y1390 WeakPolarHBondContact O-CE1 3.36Å; H1340-Y1390 PolarHBondContact O-OH 3.36Å; N1341-Y1390 PolarHBondContact OD1-OH 3.42Å; I1342-Y1390 HydrophobicContact CG1-CE1 4.43Å; V1363-Y1390 HydrophobicContact CB-CD1 3.79Å; V1363-Y1390 HydrophobicContact CB-CE1 4.2Å; V1363-Y1390 HydrophobicContact CG1-CD1 4.02Å; V1363-Y1390 HydrophobicContact CG1-CE1 4.34Å; V1363-Y1390 HydrophobicContact CG2-CD1 4.2Å; V1363-Y1390 HydrophobicContact CG2-CE1 4.14Å; V1363-Y1390 CarbonylContact O-C 3.46Å; V1363-Y1390 WeakPolarHBondContact O-CA 3.29Å; E1386-Y1390 VanDerWaalsContact CD-OH 3.26Å; E1386-Y1390 WeakPolarHBondContact OE1-CE2 3.38Å; E1386-Y1390 PolarHBondContact OE1-OH 3.01Å; E1386-Y1390 VanDerWaalsContact OE1-OH 3.11Å; E1386-Y1390 WeakPolarHBondContact OE2-CE2 3.33Å; E1386-Y1390 PolarHBondContact OE2-OH 3.2Å; E1386-Y1390 VanDerWaalsContact OE2-OH 3.12Å; T1388-Y1390 HydrophobicContact CG2-CD1 4.25Å; T1388-Y1390 HydrophobicContact CG2-CD2 3.81Å; T1388-Y1390 HydrophobicContact CG2-CE1 3.97Å; T1388-Y1390 HydrophobicContact CG2-CE2 3.49Å; T1388-Y1390 VanDerWaalsContact CG2-CE2 3.43Å; T1388-Y1390 HydrophobicContact CG2-CG 4.18Å; Y1390-E1512 CarbonylContact O-C 3.47Å; Y1390-E1512 VanDerWaalsContact O-CA 3.25Å; Y1390-E1512 WeakPolarHBondContact O-CA 3.38Å; Y1390-L1513 PolarHBondContact N-O 2.94Å; Y1390-L1513 PolarHBondContact O-N 3.13Å; Y1390-V1515 HydrophobicContact CD2-CG2 4.44Å; Y1390-V1515 HydrophobicContact CE2-CG2 4.45Å; Y1390-K1519 HydrophobicContact CE2-CD 4.31Å; Y1390-K1519 VanDerWaalsContact CZ-NZ 3.33Å; Y1390-K1519 PolarHBondContact OH-NZ 3.1Å; Y1390-K1519 VanDerWaalsContact OH-NZ 3.14Å
1391	R	90.3	Very high	81.9	Confident	29 Å²	29	56.1 Å²	56.1	11%	0.109	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	121.2	-180	-170.2	-174.7	-75	158	-7.3	110.1	L1362 V1363 E1364 T1365 F1480 I1510 M1511 E1512	L1362-R1391 HydrophobicContact CD1-CB 4.37Å; V1363-R1391 PolarHBondContact O-N 3Å; E1364-R1391 CarbonylContact C-O 3.57Å; E1364-R1391 VanDerWaalsContact CA-O 3.23Å; E1364-R1391 WeakPolarHBondContact CA-O 3.32Å; E1364-R1391 HydrophobicContact CG-CB 4.29Å; E1364-R1391 WeakPolarHBondContact OE1-CD 3.27Å; E1364-R1391 IonicContact OE1-CZ 3.07Å; E1364-R1391 IonicContact OE1-NE 3.68Å; E1364-R1391 IonicContact OE1-NH1 3.23Å; E1364-R1391 PolarHBondContact OE1-NH1 3.19Å; T1365-R1391 PolarHBondContact N-O 3.06Å; T1365-R1391 PolarHBondContact OG1-O 2.94Å; R1391-F1480 HydrophobicContact CG-CE1 3.8Å; R1391-F1480 HydrophobicContact CG-CZ 3.95Å; R1391-I1510 HydrophobicContact CG-CG2 3.4Å; R1391-I1510 VanDerWaalsContact CG-CG2 3.44Å; R1391-M1511 CarbonylContact C-O 3.56Å; R1391-M1511 WeakPolarHBondContact CA-O 3.34Å; R1391-E1512 HydrophobicContact CB-CG 4.44Å; R1391-E1512 HydrophobicContact CG-CB 4.35Å; R1391-E1512 HydrophobicContact CG-CG 4.45Å; R1391-E1512 IonicContact CZ-OE2 3.56Å; R1391-E1512 IonicContact NE-OE2 3.15Å; R1391-E1512 PolarHBondContact NE-OE2 2.88Å; R1391-E1512 IonicContact NH2-OE2 3.63Å; R1391-E1512 PolarHBondContact NH2-OE2 3.22Å
1392	T	92	Very high	81.5	Confident	0.2 Å²	0.2	56.2 Å²	56.2	0%	0.001	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124	-178.2	-56.1	0	0	0	0	110.5	L1338 F1339 T1365 E1367 L1394 I1510 M1511	L1338-T1392 HydrophobicContact CD2-CG2 3.98Å; F1339-T1392 WeakPolarHBondContact CD1-OG1 3.47Å; F1339-T1392 VanDerWaalsContact CE1-OG1 3.29Å; F1339-T1392 WeakPolarHBondContact CE1-OG1 3.38Å; T1365-T1392 CarbonylContact O-C 3.54Å; T1365-T1392 VanDerWaalsContact O-CA 3.29Å; T1365-T1392 WeakPolarHBondContact O-CA 3.38Å; T1365-T1392 WeakPolarHBondContact OG1-CB 3.42Å; T1365-T1392 VanDerWaalsContact OG1-CG2 3.3Å; T1365-T1392 WeakPolarHBondContact OG1-CG2 3.42Å; T1365-T1392 PolarHBondContact OG1-OG1 3.1Å; E1367-T1392 HydrophobicContact CB-CG2 4.06Å; E1367-T1392 HydrophobicContact CG-CG2 3.79Å; T1392-L1394 HydrophobicContact CG2-CD2 4.09Å; T1392-I1510 CarbonylContact O-C 3.55Å; T1392-I1510 VanDerWaalsContact O-CA 3.3Å; T1392-I1510 WeakPolarHBondContact O-CA 3.34Å; T1392-M1511 PolarHBondContact N-O 3.07Å; T1392-M1511 PolarHBondContact O-N 3Å
1393	E	92.5	Very high	81.7	Confident	5.8 Å²	5.8	56.4 Å²	56.4	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.7	163.4	174.1	177.8	136.4	0	0	109	T1365 Y1366 E1367 G1479 F1480 K1508 L1509 I1510	T1365-E1393 PolarHBondContact O-N 3.07Å; Y1366-E1393 HydrophobicContact CD1-CB 4.18Å; Y1366-E1393 HydrophobicContact CE1-CB 4.46Å; E1367-E1393 PolarHBondContact N-O 2.96Å; E1393-G1479 VanDerWaalsContact OE2-CA 3.26Å; E1393-G1479 WeakPolarHBondContact OE2-CA 3.37Å; E1393-F1480 HydrophobicContact CB-CD2 3.34Å; E1393-F1480 HydrophobicContact CB-CE1 4.38Å; E1393-F1480 HydrophobicContact CB-CE2 3.3Å; E1393-F1480 HydrophobicContact CB-CG 4.3Å; E1393-F1480 HydrophobicContact CB-CZ 4.2Å; E1393-F1480 HydrophobicContact CG-CD2 4.24Å; E1393-F1480 WeakPolarHBondContact OE2-CB 3.31Å; E1393-F1480 WeakPolarHBondContact OE2-CD2 3.4Å; E1393-F1480 WeakPolarHBondContact OE2-CG 3.35Å; E1393-F1480 PolarHBondContact OE2-N 3.13Å; E1393-K1508 WeakPolarHBondContact OE1-CD 3.38Å; E1393-K1508 WeakPolarHBondContact OE1-CE 3.3Å; E1393-K1508 IonicContact OE1-NZ 3.13Å; E1393-K1508 PolarHBondContact OE1-NZ 3.23Å; E1393-K1508 IonicContact OE2-NZ 3.85Å; E1393-L1509 CarbonylContact C-O 3.48Å; E1393-L1509 WeakPolarHBondContact CA-O 3.3Å; E1393-I1510 HydrophobicContact CB-CG1 4.34Å
1394	L	91.7	Very high	82	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.2	165	-57.9	-179.2	0	0	0	108.3	L1338 E1367 L1369 T1392 I1405 I1407 K1508 L1509 M1511 I1527	L1338-L1394 HydrophobicContact CD1-CD2 4.24Å; L1338-L1394 HydrophobicContact CD2-CD2 4.43Å; E1367-L1394 HydrophobicContact CB-CD2 3.97Å; L1369-L1394 HydrophobicContact CD1-CB 4Å; L1369-L1394 HydrophobicContact CD1-CD1 4.35Å; L1369-L1394 HydrophobicContact CD2-CB 4.45Å; L1369-L1394 HydrophobicContact CD2-CD1 4.38Å; L1369-L1394 HydrophobicContact CD2-CD2 4.26Å; L1369-L1394 HydrophobicContact CG-CB 4.33Å; T1392-L1394 HydrophobicContact CG2-CD2 4.09Å; L1394-I1405 HydrophobicContact CB-CD1 4.35Å; L1394-I1407 HydrophobicContact CD1-CD1 4.2Å; L1394-K1508 VanDerWaalsContact O-CA 3.29Å; L1394-K1508 WeakPolarHBondContact O-CA 3.28Å; L1394-L1509 HydrophobicContact CB-CD1 4.45Å; L1394-L1509 HydrophobicContact CB-CG 4.19Å; L1394-L1509 HydrophobicContact CD1-CD1 4.04Å; L1394-L1509 HydrophobicContact CD1-CD2 4.3Å; L1394-L1509 HydrophobicContact CD1-CG 4.42Å; L1394-L1509 HydrophobicContact CG-CD1 4.22Å; L1394-L1509 HydrophobicContact CG-CG 4.5Å; L1394-L1509 PolarHBondContact N-O 3.19Å; L1394-L1509 PolarHBondContact O-N 2.94Å; L1394-L1509 VanDerWaalsContact O-N 3.09Å; L1394-M1511 HydrophobicContact CD1-CE 3.7Å; L1394-M1511 HydrophobicContact CD1-CG 4.12Å; L1394-M1511 HydrophobicContact CD1-SD 3.94Å; L1394-M1511 VanDerWaalsContact CD1-SD 3.57Å; L1394-M1511 HydrophobicContact CD2-CE 4.33Å; L1394-M1511 HydrophobicContact CG-CE 4.25Å; L1394-M1511 HydrophobicContact CG-SD 4.5Å; L1394-I1527 HydrophobicContact CD1-CD1 3.54Å
1395	S	89.8	Confident	82.6	Confident	13.6 Å²	13.6	48.7 Å²	48.7	10%	0.095	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143	178.7	62	0	0	0	0	111.4	E1367 K1368 L1369	E1367-S1395 PolarHBondContact O-N 3.07Å; E1367-S1395 PolarHBondContact O-OG 3.16Å; K1368-S1395 CarbonylContact C-O 3.56Å; K1368-S1395 VanDerWaalsContact CA-O 3.28Å; K1368-S1395 WeakPolarHBondContact CA-O 3.3Å; L1369-S1395 PolarHBondContact N-O 2.89Å
1396	I	86.5	Confident	83	Confident	6.4 Å²	6.4	43.5 Å²	43.5	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.3	173.2	-59.7	158.6	0	0	0	108.5	L1369 P1371 D1398 H1403 I1405 N1507 V1529	L1369-I1396 HydrophobicContact CB-CG1 4.11Å; L1369-I1396 HydrophobicContact CD1-CG1 4.39Å; P1371-I1396 HydrophobicContact CB-CG2 4.25Å; I1396-D1398 VanDerWaalsContact C-N 3.35Å; I1396-D1398 HydrophobicContact CG2-CB 4.3Å; I1396-D1398 PolarHBondContact O-N 2.87Å; I1396-H1403 HydrophobicContact CB-CB 4.45Å; I1396-H1403 HydrophobicContact CD1-CB 3.61Å; I1396-H1403 HydrophobicContact CG2-CB 4.23Å; I1396-I1405 HydrophobicContact CD1-CD1 4.2Å; I1396-I1405 HydrophobicContact CD1-CG1 3.48Å; I1396-I1405 VanDerWaalsContact CD1-CG1 3.46Å; I1396-I1405 HydrophobicContact CG1-CD1 4.27Å; I1396-I1405 HydrophobicContact CG1-CG1 4.13Å; I1396-N1507 HydrophobicContact CB-CB 4.43Å; I1396-N1507 HydrophobicContact CD1-CB 4.25Å; I1396-N1507 PolarHBondContact N-O 3.14Å; I1396-N1507 VanDerWaalsContact N-O 3.15Å; I1396-N1507 PolarHBondContact O-ND2 2.97Å; I1396-N1507 VanDerWaalsContact O-ND2 3.15Å; I1396-V1529 HydrophobicContact CD1-CB 4.16Å; I1396-V1529 HydrophobicContact CD1-CG1 3.44Å; I1396-V1529 VanDerWaalsContact CD1-CG1 3.4Å; I1396-V1529 HydrophobicContact CD1-CG2 3.67Å; I1396-V1529 HydrophobicContact CG1-CG1 4.24Å; I1396-V1529 HydrophobicContact CG1-CG2 3.95Å; I1396-V1529 HydrophobicContact CG2-CG1 4.3Å
1397	N	76.8	Confident	83.5	Confident	114.2 Å²	114.2	42.4 Å²	42.4	61%	0.611	20%	0.198	S	C	*	.			trans	-81.1	76.1	176.9	-131.7	27.8	0	0	0	110.7	K1368 L1369	K1368-N1397 HydrophobicContact CB-CB 4.25Å; K1368-N1397 HydrophobicContact CD-CB 4.45Å; K1368-N1397 WeakPolarHBondContact CD-OD1 3.36Å; K1368-N1397 PolarHBondContact NZ-OD1 3.26Å; L1369-N1397 WeakPolarHBondContact O-CB 3.35Å; L1369-N1397 PolarHBondContact O-N 3.26Å
1398	D	72.4	Confident	83.7	Confident	31.6 Å²	31.6	39.2 Å²	39.2	17%	0.169	18%	0.184	C	C	.	.			trans	-143.3	115.4	172.3	-176.5	-0.4	0	0	0	108.8	P1371 I1396 Y1400 H1401 L1402 H1403 N1507	P1371-D1398 HydrophobicContact CB-CB 4.23Å; P1371-D1398 HydrophobicContact CG-CB 4.44Å; I1396-D1398 VanDerWaalsContact C-N 3.35Å; I1396-D1398 HydrophobicContact CG2-CB 4.3Å; I1396-D1398 PolarHBondContact O-N 2.87Å; D1398-Y1400 VanDerWaalsContact C-N 3.27Å; D1398-Y1400 PolarHBondContact O-N 3.24Å; D1398-Y1400 PolarHBondContact OD1-N 3.12Å; D1398-H1401 PolarHBondContact O-N 3.37Å; D1398-H1401 IonicContact OD2-CD2 2.96Å; D1398-H1401 PolarHBondContact OD2-CD2 3.34Å; D1398-H1401 VanDerWaalsContact OD2-CD2 3.29Å; D1398-H1401 IonicContact OD2-CG 3.76Å; D1398-H1401 PolarHBondContact OD2-N 2.94Å; D1398-L1402 WeakPolarHBondContact OD2-CA 3.39Å; D1398-L1402 WeakPolarHBondContact OD2-CB 3.23Å; D1398-L1402 PolarHBondContact OD2-N 3Å; D1398-H1403 VanDerWaalsContact CB-CE1 3.42Å; D1398-H1403 WeakPolarHBondContact CB-CE1 3.5Å; D1398-H1403 VanDerWaalsContact CG-ND1 3.31Å; D1398-H1403 IonicContact OD2-CD2 3.81Å; D1398-H1403 IonicContact OD2-CE1 2.82Å; D1398-H1403 PolarHBondContact OD2-CE1 3.17Å; D1398-H1403 VanDerWaalsContact OD2-CE1 3.23Å; D1398-H1403 IonicContact OD2-CG 3.1Å; D1398-H1403 PolarHBondContact OD2-N 3.11Å; D1398-H1403 IonicContact OD2-ND1 3.03Å; D1398-H1403 PolarHBondContact OD2-ND1 3.33Å; D1398-H1403 IonicContact OD2-NE2 3.93Å; D1398-H1403 PolarHBondContact OD2-NE2 2.82Å; D1398-N1507 PolarHBondContact O-ND2 3.06Å
1399	E	67.7	Low	84	Confident	173.8 Å²	173.8	39.1 Å²	39.1	81%	0.812	18%	0.184	S	C	*	.	S	Bend	trans	-75.9	-19	-179.8	-67.1	-174	167.9	0	0	112.6
1400	Y	70	Confident	84	Confident	189 Å²	189	38.6 Å²	38.6	74%	0.741	18%	0.181	S	C	*	.	S	Bend	trans	-96.7	-11.1	-172	-58.9	-74.1	0	0	0	113.8	D1398 L1402	D1398-Y1400 VanDerWaalsContact C-N 3.27Å; D1398-Y1400 PolarHBondContact O-N 3.24Å; D1398-Y1400 PolarHBondContact OD1-N 3.12Å; Y1400-L1402 HydrophobicContact CG-CD1 4.38Å; Y1400-L1402 PolarHBondContact O-N 2.9Å; Y1400-L1402 VanDerWaalsContact O-N 3.14Å
1401	H	67.7	Low	84	Confident	93.2 Å²	93.2	39 Å²	39	43%	0.431	18%	0.183	S	C	.	.	S	Bend	trans	-122.5	100.5	-175.1	-62.1	-58.1	0	0	0	113.2	D1398 H1403 N1507 N1531	D1398-H1401 PolarHBondContact O-N 3.37Å; D1398-H1401 IonicContact OD2-CD2 2.96Å; D1398-H1401 PolarHBondContact OD2-CD2 3.34Å; D1398-H1401 VanDerWaalsContact OD2-CD2 3.29Å; D1398-H1401 IonicContact OD2-CG 3.76Å; D1398-H1401 PolarHBondContact OD2-N 2.94Å; H1401-H1403 VanDerWaalsContact C-N 3.32Å; H1401-H1403 VanDerWaalsContact CB-CE1 3.49Å; H1401-H1403 WeakPolarHBondContact CB-CE1 3.29Å; H1401-H1403 WeakPolarHBondContact CB-NE2 3.44Å; H1401-H1403 PolarHBondContact O-CD2 2.83Å; H1401-H1403 PolarHBondContact O-CE1 3.43Å; H1401-H1403 PolarHBondContact O-N 3.12Å; H1401-H1403 PolarHBondContact O-ND1 3.1Å; H1401-N1507 PolarHBondContact ND1-ND2 3.42Å; H1401-N1507 PolarHBondContact ND1-OD1 2.73Å; H1401-N1531 WeakPolarHBondContact CB-ND2 3.42Å; H1401-N1531 PolarHBondContact CD2-ND2 2.98Å; H1401-N1531 VanDerWaalsContact CD2-ND2 3.32Å
1402	L	74.6	Confident	83.7	Confident	95 Å²	95	37.8 Å²	37.8	50%	0.497	18%	0.179	S	C	.	.			trans	-80.2	77.5	175.5	-87.1	152.9	0	0	0	110.8	D1398 Y1400 L1532 H1533	D1398-L1402 WeakPolarHBondContact OD2-CA 3.39Å; D1398-L1402 WeakPolarHBondContact OD2-CB 3.23Å; D1398-L1402 PolarHBondContact OD2-N 3Å; Y1400-L1402 HydrophobicContact CG-CD1 4.38Å; Y1400-L1402 PolarHBondContact O-N 2.9Å; Y1400-L1402 VanDerWaalsContact O-N 3.14Å; L1402-L1532 HydrophobicContact CB-CB 4.39Å; L1402-L1532 HydrophobicContact CB-CD1 4.18Å; L1402-L1532 HydrophobicContact CD2-CD1 3.66Å; L1402-L1532 HydrophobicContact CG-CD1 4.3Å; L1402-L1532 VanDerWaalsContact O-CB 3.28Å; L1402-L1532 WeakPolarHBondContact O-CB 3.3Å; L1402-L1532 VanDerWaalsContact O-CG 3.3Å; L1402-L1532 WeakPolarHBondContact O-CG 3.26Å; L1402-L1532 PolarHBondContact O-N 2.93Å; L1402-H1533 HydrophobicContact CD1-CB 4.45Å
1403	H	81	Confident	83	Confident	13.4 Å²	13.4	38.1 Å²	38.1	6%	0.062	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.6	179.6	-65.5	75.6	0	0	0	111.7	I1396 D1398 H1401 T1506 N1507 V1529 R1530 N1531	I1396-H1403 HydrophobicContact CB-CB 4.45Å; I1396-H1403 HydrophobicContact CD1-CB 3.61Å; I1396-H1403 HydrophobicContact CG2-CB 4.23Å; D1398-H1403 VanDerWaalsContact CB-CE1 3.42Å; D1398-H1403 WeakPolarHBondContact CB-CE1 3.5Å; D1398-H1403 VanDerWaalsContact CG-ND1 3.31Å; D1398-H1403 IonicContact OD2-CD2 3.81Å; D1398-H1403 IonicContact OD2-CE1 2.82Å; D1398-H1403 PolarHBondContact OD2-CE1 3.17Å; D1398-H1403 VanDerWaalsContact OD2-CE1 3.23Å; D1398-H1403 IonicContact OD2-CG 3.1Å; D1398-H1403 PolarHBondContact OD2-N 3.11Å; D1398-H1403 IonicContact OD2-ND1 3.03Å; D1398-H1403 PolarHBondContact OD2-ND1 3.33Å; D1398-H1403 IonicContact OD2-NE2 3.93Å; D1398-H1403 PolarHBondContact OD2-NE2 2.82Å; H1401-H1403 VanDerWaalsContact C-N 3.32Å; H1401-H1403 VanDerWaalsContact CB-CE1 3.49Å; H1401-H1403 WeakPolarHBondContact CB-CE1 3.29Å; H1401-H1403 WeakPolarHBondContact CB-NE2 3.44Å; H1401-H1403 PolarHBondContact O-CD2 2.83Å; H1401-H1403 PolarHBondContact O-CE1 3.43Å; H1401-H1403 PolarHBondContact O-N 3.12Å; H1401-H1403 PolarHBondContact O-ND1 3.1Å; H1403-T1506 CarbonylContact O-C 3.54Å; H1403-N1507 HydrophobicContact CB-CB 4.43Å; H1403-N1507 VanDerWaalsContact O-CA 3.23Å; H1403-N1507 WeakPolarHBondContact O-CA 3.27Å; H1403-N1507 WeakPolarHBondContact O-CB 3.31Å; H1403-N1507 PolarHBondContact O-N 2.87Å; H1403-V1529 HydrophobicContact CB-CG1 3.99Å; H1403-V1529 VanDerWaalsContact CD2-CG1 3.41Å; H1403-V1529 WeakPolarHBondContact CD2-CG1 3.47Å; H1403-V1529 WeakPolarHBondContact ND1-CG1 3.44Å; H1403-R1530 CarbonylContact C-O 3.54Å; H1403-R1530 VanDerWaalsContact CA-O 3.3Å; H1403-R1530 WeakPolarHBondContact CA-O 3.32Å; H1403-N1531 WeakPolarHBondContact ND1-CA 3.36Å; H1403-N1531 PolarHBondContact NE2-ND2 3.48Å
1404	Q	84.2	Confident	81.6	Confident	29.6 Å²	29.6	39 Å²	39	14%	0.138	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.9	168.5	-67.4	179.2	-43.6	0	0	109.6	I1503 S1504 V1529 R1530 L1532	Q1404-I1503 HydrophobicContact CB-CG2 4.23Å; Q1404-I1503 HydrophobicContact CG-CG2 4.5Å; Q1404-S1504 PolarHBondContact NE2-O 3.27Å; Q1404-V1529 WeakPolarHBondContact O-CA 3.4Å; Q1404-R1530 PolarHBondContact N-O 2.99Å; Q1404-R1530 PolarHBondContact O-N 3.03Å; Q1404-L1532 HydrophobicContact CG-CD1 3.95Å; Q1404-L1532 HydrophobicContact CG-CD2 4.36Å; Q1404-L1532 HydrophobicContact CG-CG 4.28Å
1405	I	88.3	Confident	79.9	Confident	0.2 Å²	0.2	41.6 Å²	41.6	0%	0.001	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.9	173.2	-56.4	169.4	0	0	0	107.6	L1369 L1394 I1396 I1407 I1503 S1504 L1509 I1527	L1369-I1405 HydrophobicContact CD1-CD1 3.94Å; L1369-I1405 HydrophobicContact CD1-CG1 4.11Å; L1369-I1405 HydrophobicContact CD1-CG2 4.05Å; L1394-I1405 HydrophobicContact CB-CD1 4.35Å; I1396-I1405 HydrophobicContact CD1-CD1 4.2Å; I1396-I1405 HydrophobicContact CD1-CG1 3.48Å; I1396-I1405 VanDerWaalsContact CD1-CG1 3.46Å; I1396-I1405 HydrophobicContact CG1-CD1 4.27Å; I1396-I1405 HydrophobicContact CG1-CG1 4.13Å; I1405-I1407 HydrophobicContact CG2-CD1 4.39Å; I1405-I1407 HydrophobicContact CG2-CG1 4.07Å; I1405-I1503 CarbonylContact O-C 3.58Å; I1405-I1503 WeakPolarHBondContact O-CA 3.24Å; I1405-S1504 WeakPolarHBondContact CA-OG 3.35Å; I1405-S1504 WeakPolarHBondContact CB-OG 3.43Å; I1405-S1504 PolarHBondContact N-OG 3Å; I1405-S1504 WeakPolarHBondContact O-CB 3.47Å; I1405-S1504 PolarHBondContact O-N 3.19Å; I1405-S1504 PolarHBondContact O-OG 2.92Å; I1405-L1509 HydrophobicContact CB-CD1 3.85Å; I1405-L1509 HydrophobicContact CB-CD2 3.7Å; I1405-L1509 HydrophobicContact CB-CG 4.35Å; I1405-L1509 HydrophobicContact CD1-CB 4.29Å; I1405-L1509 HydrophobicContact CD1-CD1 4.25Å; I1405-L1509 HydrophobicContact CD1-CD2 3.65Å; I1405-L1509 HydrophobicContact CD1-CG 4.17Å; I1405-L1509 HydrophobicContact CG1-CD2 4.26Å; I1405-L1509 HydrophobicContact CG2-CD1 3.71Å; I1405-L1509 HydrophobicContact CG2-CD2 3.51Å; I1405-I1527 HydrophobicContact CG2-CG2 3.67Å; I1405-I1527 VanDerWaalsContact CG2-CG2 3.48Å
1406	I	88.7	Confident	78.2	Confident	3.8 Å²	3.8	41.9 Å²	41.9	2%	0.019	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.6	177.3	-57.9	173.6	0	0	0	107.5	P1272 L1273 P1501 L1502 I1503 I1527 Q1528 R1530 L1556	P1272-I1406 HydrophobicContact CG-CG2 4.48Å; L1273-I1406 HydrophobicContact CD1-CD1 3.28Å; L1273-I1406 VanDerWaalsContact CD1-CD1 3.46Å; L1273-I1406 HydrophobicContact CD2-CD1 3.71Å; L1273-I1406 HydrophobicContact CG-CD1 3.61Å; I1406-P1501 HydrophobicContact CG2-CB 4.38Å; I1406-L1502 CarbonylContact C-O 3.53Å; I1406-L1502 VanDerWaalsContact CA-O 3.26Å; I1406-L1502 WeakPolarHBondContact CA-O 3.3Å; I1406-L1502 WeakPolarHBondContact CG2-O 3.17Å; I1406-I1503 HydrophobicContact CG1-CG1 4.23Å; I1406-I1503 HydrophobicContact CG1-CG2 4.46Å; I1406-I1503 HydrophobicContact CG2-CG1 4.4Å; I1406-I1527 CarbonylContact O-C 3.58Å; I1406-I1527 VanDerWaalsContact O-CA 3.3Å; I1406-I1527 WeakPolarHBondContact O-CA 3.31Å; I1406-Q1528 HydrophobicContact CB-CB 4.4Å; I1406-Q1528 PolarHBondContact N-O 3.13Å; I1406-Q1528 PolarHBondContact O-N 3.04Å; I1406-R1530 HydrophobicContact CD1-CB 4.07Å; I1406-L1556 HydrophobicContact CG2-CD1 4.36Å
1407	I	90.8	Very high	76.6	Confident	0.8 Å²	0.8	45.2 Å²	45.2	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.2	-179.4	-56.8	-177.1	0	0	0	108.6	L1394 I1405 I1475 F1500 P1501 L1502 L1509 M1511 F1525 I1527	L1394-I1407 HydrophobicContact CD1-CD1 4.2Å; I1405-I1407 HydrophobicContact CG2-CD1 4.39Å; I1405-I1407 HydrophobicContact CG2-CG1 4.07Å; I1407-I1475 HydrophobicContact CD1-CD1 4.24Å; I1407-I1475 HydrophobicContact CD1-CG2 4.26Å; I1407-I1475 HydrophobicContact CG2-CD1 4.43Å; I1407-F1500 HydrophobicContact CG2-CD1 4.5Å; I1407-F1500 HydrophobicContact CG2-CE1 4.16Å; I1407-P1501 CarbonylContact O-C 3.41Å; I1407-P1501 VanDerWaalsContact O-CA 3.25Å; I1407-P1501 WeakPolarHBondContact O-CA 3.34Å; I1407-P1501 WeakPolarHBondContact O-CB 3.46Å; I1407-L1502 HydrophobicContact CB-CB 4.5Å; I1407-L1502 PolarHBondContact N-O 3.13Å; I1407-L1502 PolarHBondContact O-N 2.9Å; I1407-L1509 HydrophobicContact CD1-CD1 3.58Å; I1407-L1509 VanDerWaalsContact CD1-CD1 3.41Å; I1407-L1509 HydrophobicContact CD1-CD2 3.47Å; I1407-L1509 HydrophobicContact CD1-CG 4.22Å; I1407-L1509 HydrophobicContact CG1-CD1 3.99Å; I1407-L1509 HydrophobicContact CG1-CD2 4.18Å; I1407-M1511 HydrophobicContact CD1-CG 4.41Å; I1407-M1511 HydrophobicContact CD1-SD 4.02Å; I1407-F1525 HydrophobicContact CG2-CB 4.38Å; I1407-F1525 HydrophobicContact CG2-CD1 3.89Å; I1407-F1525 HydrophobicContact CG2-CG 4.45Å; I1407-I1527 HydrophobicContact CG1-CD1 4.38Å; I1407-I1527 HydrophobicContact CG1-CG1 4.33Å
1408	D	90.5	Very high	75.7	Confident	5.4 Å²	5.4	43.7 Å²	43.7	3%	0.029	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.9	170.4	-167.1	23.8	0	0	0	109.6	Y1247 P1272 P1501 F1525 S1526	Y1247-D1408 PolarHBondContact OH-OD2 3.12Å; P1272-D1408 HydrophobicContact CG-CB 4.22Å; P1272-D1408 WeakPolarHBondContact CG-OD2 3.44Å; D1408-P1501 HydrophobicContact CB-CB 4.08Å; D1408-F1525 CarbonylContact O-C 3.49Å; D1408-F1525 VanDerWaalsContact O-CA 3.28Å; D1408-F1525 WeakPolarHBondContact O-CA 3.29Å; D1408-F1525 WeakPolarHBondContact O-CB 3.49Å; D1408-S1526 WeakPolarHBondContact CB-OG 3.38Å; D1408-S1526 PolarHBondContact N-O 2.97Å; D1408-S1526 PolarHBondContact O-N 3.17Å
1409	L	90.4	Very high	74.5	Confident	1.2 Å²	1.2	43.2 Å²	43.2	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.3	-179	-178.7	73.6	0	0	0	108.5	E1411 F1412 I1493 L1497 F1500 F1523 F1525 W1591	L1409-E1411 VanDerWaalsContact CD1-O 3.3Å; L1409-E1411 WeakPolarHBondContact CD1-O 3.31Å; L1409-F1412 HydrophobicContact CD1-CB 4.49Å; L1409-F1412 HydrophobicContact CD2-CB 4.24Å; L1409-F1412 HydrophobicContact CD2-CD1 4.07Å; L1409-F1412 HydrophobicContact CD2-CG 4.41Å; L1409-F1412 HydrophobicContact CG-CD1 4.49Å; L1409-I1493 HydrophobicContact CD1-CD1 4.05Å; L1409-I1493 HydrophobicContact CD2-CD1 3.89Å; L1409-I1493 HydrophobicContact CD2-CG1 4.2Å; L1409-I1493 HydrophobicContact CD2-CG2 4.39Å; L1409-I1493 HydrophobicContact CG-CD1 4.47Å; L1409-L1497 HydrophobicContact CD2-CD2 3.46Å; L1409-L1497 VanDerWaalsContact CD2-CD2 3.43Å; L1409-F1500 HydrophobicContact CB-CB 4.36Å; L1409-F1500 HydrophobicContact CB-CD1 3.59Å; L1409-F1500 HydrophobicContact CB-CD2 4.25Å; L1409-F1500 HydrophobicContact CB-CE1 3.89Å; L1409-F1500 HydrophobicContact CB-CE2 4.41Å; L1409-F1500 HydrophobicContact CB-CG 3.82Å; L1409-F1500 HydrophobicContact CB-CZ 4.37Å; L1409-F1500 HydrophobicContact CD2-CD2 4.33Å; L1409-F1500 HydrophobicContact CD2-CE2 4.3Å; L1409-F1523 HydrophobicContact CD1-CD1 4.25Å; L1409-F1525 HydrophobicContact CB-CD1 4.44Å; L1409-F1525 HydrophobicContact CD1-CD1 3.61Å; L1409-F1525 VanDerWaalsContact CD1-CD1 3.45Å; L1409-F1525 HydrophobicContact CD1-CE1 3.26Å; L1409-F1525 HydrophobicContact CD1-CG 4.44Å; L1409-F1525 HydrophobicContact CD1-CZ 3.95Å; L1409-F1525 HydrophobicContact CG-CE1 4.46Å; L1409-W1591 HydrophobicContact CB-CH2 4.25Å; L1409-W1591 HydrophobicContact CB-CZ3 4.34Å; L1409-W1591 HydrophobicContact CD2-CH2 3.94Å; L1409-W1591 HydrophobicContact CD2-CZ3 4.07Å; L1409-W1591 HydrophobicContact CG-CH2 3.91Å; L1409-W1591 HydrophobicContact CG-CZ3 4.22Å; L1409-W1591 VanDerWaalsContact O-CH2 3.23Å; L1409-W1591 WeakPolarHBondContact O-CH2 3.36Å; L1409-W1591 WeakPolarHBondContact O-CZ3 3.26Å
1410	L	88.9	Confident	73.7	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-27.6	-177.4	-56.8	179.5	0	0	0	112.4	Y1247 Y1269 M1320 F1328 I1332 F1376 L1524 W1591	Y1247-L1410 HydrophobicContact CD2-CD1 4.47Å; Y1247-L1410 HydrophobicContact CD2-CD2 4.31Å; Y1247-L1410 HydrophobicContact CE2-CD1 4.26Å; Y1247-L1410 HydrophobicContact CE2-CD2 4.08Å; Y1269-L1410 HydrophobicContact CD1-CD2 3.74Å; Y1269-L1410 HydrophobicContact CD2-CD2 4.3Å; Y1269-L1410 HydrophobicContact CE1-CD2 3.85Å; Y1269-L1410 HydrophobicContact CE2-CD2 4.25Å; Y1269-L1410 HydrophobicContact CG-CD2 3.94Å; Y1269-L1410 PolarHBondContact OH-O 2.84Å; Y1269-L1410 VanDerWaalsContact OH-O 3.11Å; M1320-L1410 VanDerWaalsContact CE-O 3.23Å; M1320-L1410 WeakPolarHBondContact CE-O 3.4Å; F1328-L1410 HydrophobicContact CE1-CB 4.28Å; F1328-L1410 HydrophobicContact CE1-CD1 4.18Å; F1328-L1410 HydrophobicContact CZ-CD1 4.22Å; I1332-L1410 HydrophobicContact CD1-CD1 4.43Å; F1376-L1410 HydrophobicContact CD1-CD1 4.07Å; F1376-L1410 HydrophobicContact CE1-CD1 4.05Å; L1410-L1524 HydrophobicContact CB-CB 4.34Å; L1410-L1524 HydrophobicContact CB-CD2 4.02Å; L1410-L1524 HydrophobicContact CB-CG 4.15Å; L1410-L1524 HydrophobicContact CD1-CD2 4.22Å; L1410-L1524 HydrophobicContact CD1-CG 4.37Å; L1410-L1524 PolarHBondContact N-O 3.2Å; L1410-W1591 VanDerWaalsContact C-CH2 3.41Å; L1410-W1591 VanDerWaalsContact C-CZ2 3.44Å; L1410-W1591 WeakPolarHBondContact O-CH2 3.37Å; L1410-W1591 VanDerWaalsContact O-CZ2 3.29Å; L1410-W1591 WeakPolarHBondContact O-CZ2 3.3Å
1411	E	88.3	Confident	72.4	Confident	10.8 Å²	10.8	29.6 Å²	29.6	5%	0.05	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	146.5	176.3	-164.3	177.7	171.1	0	0	111.6	R1325 H1329 L1409 Q1522 F1523 L1524 H1589	R1325-E1411 WeakPolarHBondContact CD-OE1 3.35Å; R1325-E1411 IonicContact CZ-OE1 3.19Å; R1325-E1411 IonicContact NE-OE1 3.19Å; R1325-E1411 IonicContact NH1-OE1 3.42Å; R1325-E1411 PolarHBondContact NH1-OE1 2.86Å; H1329-E1411 IonicContact CD2-OE2 2.83Å; H1329-E1411 PolarHBondContact CD2-OE2 3.45Å; H1329-E1411 VanDerWaalsContact CD2-OE2 3.31Å; H1329-E1411 IonicContact CE1-OE2 3.54Å; H1329-E1411 IonicContact NE2-OE1 3.08Å; H1329-E1411 IonicContact NE2-OE2 3.29Å; H1329-E1411 PolarHBondContact NE2-OE2 3.35Å; L1409-E1411 VanDerWaalsContact CD1-O 3.3Å; L1409-E1411 WeakPolarHBondContact CD1-O 3.31Å; E1411-Q1522 CarbonylContact C-O 3.54Å; E1411-Q1522 VanDerWaalsContact CB-O 3.27Å; E1411-Q1522 WeakPolarHBondContact CB-O 3.24Å; E1411-Q1522 VanDerWaalsContact CG-O 3.27Å; E1411-Q1522 WeakPolarHBondContact CG-O 3.38Å; E1411-F1523 WeakPolarHBondContact O-CA 3.39Å; E1411-L1524 HydrophobicContact CB-CB 3.74Å; E1411-L1524 HydrophobicContact CB-CD2 4.38Å; E1411-L1524 PolarHBondContact N-O 3.21Å; E1411-L1524 VanDerWaalsContact N-O 3.13Å; E1411-L1524 PolarHBondContact O-N 2.99Å; E1411-L1524 VanDerWaalsContact O-N 3.14Å; E1411-H1589 WeakPolarHBondContact CG-NE2 3.2Å
1412	F	85.5	Confident	71.3	Confident	4.8 Å²	4.8	32.3 Å²	32.3	2%	0.021	18%	0.178	C	C	.	.			trans	-143.1	160.5	174.7	62.7	-87.3	0	0	0	110.8	L1409 I1493 P1494 L1497 Q1522 F1523 P1582 M1583 H1589 W1591	L1409-F1412 HydrophobicContact CD1-CB 4.49Å; L1409-F1412 HydrophobicContact CD2-CB 4.24Å; L1409-F1412 HydrophobicContact CD2-CD1 4.07Å; L1409-F1412 HydrophobicContact CD2-CG 4.41Å; L1409-F1412 HydrophobicContact CG-CD1 4.49Å; F1412-I1493 HydrophobicContact CB-CG2 4.21Å; F1412-I1493 HydrophobicContact CG-CG2 4.49Å; F1412-P1494 HydrophobicContact CD2-CB 4.49Å; F1412-L1497 HydrophobicContact CB-CD2 4.5Å; F1412-L1497 HydrophobicContact CD1-CD2 3.82Å; F1412-L1497 HydrophobicContact CD2-CD1 4.36Å; F1412-L1497 HydrophobicContact CD2-CD2 4.34Å; F1412-L1497 HydrophobicContact CE1-CD1 4.2Å; F1412-L1497 HydrophobicContact CE1-CD2 3.91Å; F1412-L1497 HydrophobicContact CE2-CD1 3.86Å; F1412-L1497 HydrophobicContact CE2-CD2 4.39Å; F1412-L1497 HydrophobicContact CG-CD2 4.13Å; F1412-L1497 HydrophobicContact CZ-CD1 3.77Å; F1412-L1497 HydrophobicContact CZ-CD2 4.3Å; F1412-Q1522 CarbonylContact C-O 3.59Å; F1412-Q1522 VanDerWaalsContact CA-O 3.28Å; F1412-Q1522 WeakPolarHBondContact CA-O 3.21Å; F1412-Q1522 PolarHBondContact N-O 3.09Å; F1412-F1523 HydrophobicContact CB-CD1 4.25Å; F1412-F1523 HydrophobicContact CB-CE1 3.98Å; F1412-P1582 HydrophobicContact CE2-CB 4.45Å; F1412-P1582 HydrophobicContact CZ-CB 4.15Å; F1412-M1583 HydrophobicContact CD2-SD 4.18Å; F1412-M1583 HydrophobicContact CE2-CG 3.86Å; F1412-M1583 HydrophobicContact CE2-SD 3.44Å; F1412-M1583 WeakPolarHBondContact CE2-SD 3.3Å; F1412-M1583 HydrophobicContact CZ-CG 3.82Å; F1412-M1583 HydrophobicContact CZ-SD 3.96Å; F1412-H1589 AromaticContact CD1-CE1 3.82Å; F1412-H1589 AromaticContact CD1-ND1 3.84Å; F1412-H1589 AromaticContact CD2-CE1 3.8Å; F1412-H1589 AromaticContact CE1-CE1 3.56Å; F1412-H1589 AromaticContact CE1-ND1 3.64Å; F1412-H1589 WeakPolarHBondContact CE1-ND1 3.38Å; F1412-H1589 AromaticContact CE2-CE1 3.73Å; F1412-H1589 AromaticContact CE2-ND1 3.72Å; F1412-H1589 AromaticContact CG-CE1 3.75Å; F1412-H1589 AromaticContact CZ-CE1 3.77Å; F1412-H1589 AromaticContact CZ-ND1 3.34Å; F1412-H1589 WeakPolarHBondContact CZ-ND1 3.11Å; F1412-H1589 PolarHBondContact O-CE1 2.94Å; F1412-H1589 PolarHBondContact O-NE2 3.14Å; F1412-H1589 VanDerWaalsContact O-NE2 3.14Å; F1412-W1591 AromaticContact CD1-CH2 3.62Å; F1412-W1591 HydrophobicContact CD1-CH2 3.62Å; F1412-W1591 AromaticContact CD1-CZ2 3.81Å; F1412-W1591 HydrophobicContact CD1-CZ2 4.11Å; F1412-W1591 HydrophobicContact CD1-CZ3 4.21Å; F1412-W1591 HydrophobicContact CE1-CE3 4.48Å; F1412-W1591 AromaticContact CE1-CH2 3.75Å; F1412-W1591 HydrophobicContact CE1-CH2 3.75Å; F1412-W1591 AromaticContact CE1-CZ2 3.75Å; F1412-W1591 HydrophobicContact CE1-CZ2 4.03Å; F1412-W1591 AromaticContact CE1-CZ3 3.98Å; F1412-W1591 HydrophobicContact CE1-CZ3 4.07Å
1413	P	76.4	Confident	69.7	Low	5.8 Å²	5.8	34 Å²	34	4%	0.038	18%	0.184	C	C	.	.			trans	-77.2	141.3	-179.4	19.7	-18.8	0	0	0	112.8	S1415 V1416 E1471 Q1522 F1523	P1413-S1415 VanDerWaalsContact C-N 3.32Å; P1413-S1415 PolarHBondContact O-N 3.06Å; P1413-V1416 HydrophobicContact CB-CB 4.45Å; P1413-V1416 HydrophobicContact CB-CG2 4.08Å; P1413-V1416 HydrophobicContact CG-CB 4.46Å; P1413-V1416 HydrophobicContact CG-CG2 3.96Å; P1413-V1416 WeakPolarHBondContact O-CG2 3.34Å; P1413-E1471 HydrophobicContact CG-CB 4.47Å; P1413-E1471 WeakPolarHBondContact CG-OE2 3.3Å; P1413-Q1522 VanDerWaalsContact CA-OE1 3.23Å; P1413-Q1522 HydrophobicContact CB-CB 4.21Å; P1413-Q1522 VanDerWaalsContact CB-OE1 3.27Å; P1413-Q1522 HydrophobicContact CG-CB 4.47Å; P1413-F1523 VanDerWaalsContact CD-CE1 3.47Å; P1413-F1523 VanDerWaalsContact CD-CE2 3.49Å; P1413-F1523 HydrophobicContact CG-CD2 4.25Å; P1413-F1523 HydrophobicContact CG-CE1 4.4Å; P1413-F1523 HydrophobicContact CG-CE2 3.6Å; P1413-F1523 VanDerWaalsContact CG-CE2 3.41Å; P1413-F1523 HydrophobicContact CG-CZ 3.7Å
1414	G	62.6	Low	68	Low	24.4 Å²	24.4	35.9 Å²	35.9	25%	0.252	19%	0.193	S	C	.	.	S	Bend	trans	-77.1	-17.4	-175.2	0	0	0	0	0	116.7	M1583	G1414-M1583 WeakPolarHBondContact CA-SD 3.32Å
1415	S	56.9	Low	66.1	Low	56.6 Å²	56.6	36.6 Å²	36.6	40%	0.396	20%	0.203	S	C	.	.			trans	-117.6	49.4	-177.6	56.3	0	0	0	0	112.6	P1413 K1417 T1467	P1413-S1415 VanDerWaalsContact C-N 3.32Å; P1413-S1415 PolarHBondContact O-N 3.06Å; S1415-K1417 PolarHBondContact O-N 3.05Å; S1415-T1467 VanDerWaalsContact OG-CB 3.31Å; S1415-T1467 WeakPolarHBondContact OG-CB 3.46Å; S1415-T1467 VanDerWaalsContact OG-CG2 3.28Å; S1415-T1467 WeakPolarHBondContact OG-CG2 3.31Å; S1415-T1467 PolarHBondContact OG-OG1 3.35Å
1416	V	53.2	Low	63.9	Low	18.6 Å²	18.6	41.9 Å²	41.9	11%	0.113	24%	0.235	C	C	.	.			trans	-79.1	106.5	177	-178.3	0	0	0	0	109.9	P1413 L1444 E1471 I1493 P1494	P1413-V1416 HydrophobicContact CB-CB 4.45Å; P1413-V1416 HydrophobicContact CB-CG2 4.08Å; P1413-V1416 HydrophobicContact CG-CB 4.46Å; P1413-V1416 HydrophobicContact CG-CG2 3.96Å; P1413-V1416 WeakPolarHBondContact O-CG2 3.34Å; V1416-L1444 HydrophobicContact CB-CD1 3.84Å; V1416-L1444 HydrophobicContact CG2-CD1 4.14Å; V1416-E1471 WeakPolarHBondContact CB-O 3.49Å; V1416-E1471 HydrophobicContact CG1-CB 3.73Å; V1416-E1471 HydrophobicContact CG1-CG 4.34Å; V1416-E1471 VanDerWaalsContact CG1-O 3.27Å; V1416-E1471 WeakPolarHBondContact CG1-O 3.29Å; V1416-E1471 HydrophobicContact CG2-CB 4.41Å; V1416-E1471 WeakPolarHBondContact CG2-O 3.4Å; V1416-I1493 WeakPolarHBondContact CG1-O 3.31Å; V1416-I1493 HydrophobicContact CG2-CG2 4.42Å; V1416-P1494 HydrophobicContact CB-CG 4.14Å; V1416-P1494 HydrophobicContact CG1-CG 4.18Å
1417	K	54.6	Low	61.6	Low	76.4 Å²	76.4	47 Å²	47	33%	0.332	26%	0.263	S	S	.	.			trans	-95.5	130.3	167.2	-70	-171.6	177.4	175.2	0	108.9	S1415 P1419 S1442 T1467 I1468 K1470 E1471	S1415-K1417 PolarHBondContact O-N 3.05Å; K1417-P1419 VanDerWaalsContact O-CD 3.26Å; K1417-P1419 WeakPolarHBondContact O-CD 3.31Å; K1417-P1419 VanDerWaalsContact O-N 3.13Å; K1417-S1442 WeakPolarHBondContact CG-OG 3.3Å; K1417-T1467 PolarHBondContact NZ-OG1 3.14Å; K1417-I1468 HydrophobicContact CB-CG2 4.17Å; K1417-I1468 HydrophobicContact CD-CB 4.42Å; K1417-I1468 HydrophobicContact CD-CD1 4.19Å; K1417-I1468 HydrophobicContact CD-CG2 3.95Å; K1417-I1468 HydrophobicContact CG-CG2 3.92Å; K1417-K1470 HydrophobicContact CB-CB 4.17Å; K1417-K1470 HydrophobicContact CB-CD 4.17Å; K1417-K1470 HydrophobicContact CB-CG 4.03Å; K1417-K1470 VanDerWaalsContact O-CA 3.26Å; K1417-K1470 WeakPolarHBondContact O-CA 3.15Å; K1417-K1470 VanDerWaalsContact O-CB 3.32Å; K1417-K1470 WeakPolarHBondContact O-CB 3.29Å; K1417-K1470 VanDerWaalsContact O-CG 3.32Å; K1417-K1470 WeakPolarHBondContact O-CG 3.29Å; K1417-E1471 PolarHBondContact O-N 3.43Å
1418	L	56.1	Low	59.2	Low	82.2 Å²	82.2	53.6 Å²	53.6	43%	0.43	29%	0.289	S	S	.	.			trans	-55.8	121.1	175.2	-71.4	155.5	0	0	0	109.9	T1420 L1439 E1472 K1495	L1418-T1420 VanDerWaalsContact C-N 3.27Å; L1418-T1420 PolarHBondContact O-N 2.96Å; L1418-L1439 HydrophobicContact CB-CD2 4.24Å; L1418-L1439 HydrophobicContact CD1-CD2 3.67Å; L1418-L1439 HydrophobicContact CG-CD2 4.48Å; L1418-E1472 VanDerWaalsContact CD2-CD 3.48Å; L1418-E1472 HydrophobicContact CD2-CG 4.19Å; L1418-E1472 VanDerWaalsContact CD2-OE1 3.29Å; L1418-E1472 WeakPolarHBondContact CD2-OE1 3.26Å; L1418-K1495 HydrophobicContact CD1-CD 4.42Å; L1418-K1495 VanDerWaalsContact CD1-CE 3.44Å; L1418-K1495 HydrophobicContact CD1-CG 4.13Å; L1418-K1495 HydrophobicContact CD2-CG 4.24Å
1419	P	49	Very low	56.8	Low	21.2 Å²	21.2	57.5 Å²	57.5	14%	0.138	31%	0.314	C	S	.	.			trans	-74	-12.7	177.6	27.4	-30.6	0	0	0	112.8	W1360 K1417 S1421 K1470 E1472 R1514 D1516	W1360-P1419 HydrophobicContact CH2-CB 3.86Å; W1360-P1419 HydrophobicContact CH2-CG 4.34Å; W1360-P1419 HydrophobicContact CZ2-CB 4.17Å; K1417-P1419 VanDerWaalsContact O-CD 3.26Å; K1417-P1419 WeakPolarHBondContact O-CD 3.31Å; K1417-P1419 VanDerWaalsContact O-N 3.13Å; P1419-S1421 PolarHBondContact O-N 3.44Å; P1419-K1470 HydrophobicContact CB-CB 4.25Å; P1419-K1470 HydrophobicContact CB-CD 4.4Å; P1419-E1472 HydrophobicContact CG-CB 4.14Å; P1419-E1472 VanDerWaalsContact CG-CD 3.44Å; P1419-E1472 HydrophobicContact CG-CG 3.58Å; P1419-R1514 HydrophobicContact CG-CB 4.01Å; P1419-D1516 HydrophobicContact CB-CB 4.08Å
1420	T	49.6	Very low	54.3	Low	32.4 Å²	32.4	64.8 Å²	64.8	20%	0.199	35%	0.346	C	S	.	.			trans	-74.3	125.5	-177.2	35.2	0	0	0	0	112.4	L1418 I1433 E1472 R1514	L1418-T1420 VanDerWaalsContact C-N 3.27Å; L1418-T1420 PolarHBondContact O-N 2.96Å; T1420-I1433 HydrophobicContact CG2-CB 4.48Å; T1420-I1433 HydrophobicContact CG2-CD1 3.85Å; T1420-I1433 HydrophobicContact CG2-CG1 4.14Å; T1420-I1433 HydrophobicContact CG2-CG2 4.09Å; T1420-E1472 WeakPolarHBondContact CG2-OE2 3.3Å; T1420-E1472 PolarHBondContact OG1-OE2 3.05Å; T1420-R1514 VanDerWaalsContact CG2-NH1 3.26Å
1421	S	43.6	Very low	51.8	Low	43.8 Å²	43.8	66.5 Å²	66.5	31%	0.306	36%	0.36	S	S	.	.			trans	-73.9	147.1	178.1	82.9	0	0	0	0	111.8	E1358 P1419 Q1423 Q1424 A1425	E1358-S1421 PolarHBondContact OE2-OG 3.41Å; E1358-S1421 VanDerWaalsContact OE2-OG 3.14Å; P1419-S1421 PolarHBondContact O-N 3.44Å; S1421-Q1423 VanDerWaalsContact C-N 3.27Å; S1421-Q1423 PolarHBondContact O-N 3.18Å; S1421-Q1423 VanDerWaalsContact O-N 3.11Å; S1421-Q1423 WeakPolarHBondContact OG-CB 3.36Å; S1421-Q1423 PolarHBondContact OG-N 2.93Å; S1421-Q1424 WeakPolarHBondContact O-CB 3.48Å; S1421-Q1424 PolarHBondContact O-N 3.23Å; S1421-Q1424 VanDerWaalsContact O-N 3.14Å; S1421-Q1424 WeakPolarHBondContact OG-CB 3.47Å; S1421-Q1424 VanDerWaalsContact OG-CD 3.28Å; S1421-Q1424 WeakPolarHBondContact OG-CG 3.34Å; S1421-Q1424 PolarHBondContact OG-N 3.11Å; S1421-Q1424 VanDerWaalsContact OG-N 3.16Å; S1421-Q1424 PolarHBondContact OG-OE1 3.49Å; S1421-A1425 PolarHBondContact O-N 3.03Å; S1421-A1425 VanDerWaalsContact O-N 3.09Å
1422	Q	44.1	Very low	49.2	Very low	151.6 Å²	151.6	67.4 Å²	67.4	71%	0.708	37%	0.367	S	S	*	.	H	α-helix	trans	-58.5	-30.9	173.7	-77.7	178.9	-25	0	0	112.4	Q1424 A1425 V1426	Q1422-Q1424 VanDerWaalsContact C-N 3.31Å; Q1422-Q1424 PolarHBondContact O-N 3.34Å; Q1422-A1425 VanDerWaalsContact O-CB 3.27Å; Q1422-A1425 WeakPolarHBondContact O-CB 3.32Å; Q1422-A1425 PolarHBondContact O-N 3.03Å; Q1422-V1426 VanDerWaalsContact O-CG2 3.3Å; Q1422-V1426 WeakPolarHBondContact O-CG2 3.23Å; Q1422-V1426 PolarHBondContact O-N 2.97Å; Q1422-V1426 VanDerWaalsContact O-N 3.1Å
1423	Q	41.1	Very low	46.8	Very low	130.8 Å²	130.8	70.1 Å²	70.1	61%	0.611	38%	0.381	S	S	*	.	H	α-helix	trans	-70.4	-33.2	179.2	-87.5	175.1	-20	0	0	112.8	E1358 S1421 A1425 V1426 N1427	E1358-Q1423 PolarHBondContact OE1-OE1 2.82Å; S1421-Q1423 VanDerWaalsContact C-N 3.27Å; S1421-Q1423 PolarHBondContact O-N 3.18Å; S1421-Q1423 VanDerWaalsContact O-N 3.11Å; S1421-Q1423 WeakPolarHBondContact OG-CB 3.36Å; S1421-Q1423 PolarHBondContact OG-N 2.93Å; Q1423-A1425 VanDerWaalsContact C-N 3.3Å; Q1423-A1425 PolarHBondContact O-N 3.11Å; Q1423-V1426 PolarHBondContact O-N 3.08Å; Q1423-V1426 VanDerWaalsContact O-N 3.17Å; Q1423-N1427 VanDerWaalsContact O-CB 3.27Å; Q1423-N1427 WeakPolarHBondContact O-CB 3.23Å; Q1423-N1427 VanDerWaalsContact O-CG 3.25Å; Q1423-N1427 PolarHBondContact O-N 2.94Å; Q1423-N1427 PolarHBondContact O-ND2 3.19Å
1424	Q	44.4	Very low	44.8	Very low	52.8 Å²	52.8	71.1 Å²	71.1	25%	0.247	39%	0.392	C	S	.	.	H	α-helix	trans	-65.7	-36.8	173.8	-99.6	175.6	-17	0	0	111.7	E1358 W1360 S1421 Q1422 V1426 N1427 Y1428 C1432 L1444	E1358-Q1424 WeakPolarHBondContact OE2-CG 3.33Å; E1358-Q1424 PolarHBondContact OE2-NE2 3.43Å; E1358-Q1424 VanDerWaalsContact OE2-NE2 3.16Å; W1360-Q1424 VanDerWaalsContact NE1-NE2 3.1Å; S1421-Q1424 WeakPolarHBondContact O-CB 3.48Å; S1421-Q1424 PolarHBondContact O-N 3.23Å; S1421-Q1424 VanDerWaalsContact O-N 3.14Å; S1421-Q1424 WeakPolarHBondContact OG-CB 3.47Å; S1421-Q1424 VanDerWaalsContact OG-CD 3.28Å; S1421-Q1424 WeakPolarHBondContact OG-CG 3.34Å; S1421-Q1424 PolarHBondContact OG-N 3.11Å; S1421-Q1424 VanDerWaalsContact OG-N 3.16Å; S1421-Q1424 PolarHBondContact OG-OE1 3.49Å; Q1422-Q1424 VanDerWaalsContact C-N 3.31Å; Q1422-Q1424 PolarHBondContact O-N 3.34Å; Q1424-V1426 VanDerWaalsContact C-N 3.3Å; Q1424-V1426 PolarHBondContact O-N 3.04Å; Q1424-V1426 VanDerWaalsContact O-N 3.08Å; Q1424-N1427 PolarHBondContact O-N 3.21Å; Q1424-Y1428 HydrophobicContact CG-CD2 4.21Å; Q1424-Y1428 PolarHBondContact O-N 2.98Å; Q1424-Y1428 VanDerWaalsContact O-N 3.09Å; Q1424-C1432 PolarHBondContact O-SG 3.17Å; Q1424-L1444 VanDerWaalsContact CD-CD1 3.48Å; Q1424-L1444 HydrophobicContact CG-CD1 4.48Å
1425	A	45.3	Very low	43.3	Very low	44 Å²	44	74.1 Å²	74.1	36%	0.364	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-31.2	176.6	0	0	0	0	0	113.4	S1421 Q1422 Q1423 P1429 C1432 I1433	S1421-A1425 PolarHBondContact O-N 3.03Å; S1421-A1425 VanDerWaalsContact O-N 3.09Å; Q1422-A1425 VanDerWaalsContact O-CB 3.27Å; Q1422-A1425 WeakPolarHBondContact O-CB 3.32Å; Q1422-A1425 PolarHBondContact O-N 3.03Å; Q1423-A1425 VanDerWaalsContact C-N 3.3Å; Q1423-A1425 PolarHBondContact O-N 3.11Å; A1425-P1429 WeakPolarHBondContact O-CA 3.03Å; A1425-C1432 VanDerWaalsContact CA-SG 3.58Å; A1425-C1432 WeakPolarHBondContact CA-SG 3.38Å; A1425-C1432 HydrophobicContact CB-CB 4.34Å; A1425-C1432 WeakPolarHBondContact CB-SG 3.46Å; A1425-C1432 PolarHBondContact N-SG 3.33Å; A1425-C1432 VanDerWaalsContact N-SG 3.36Å; A1425-C1432 PolarHBondContact O-SG 3.21Å; A1425-I1433 HydrophobicContact CB-CD1 3.87Å
1426	V	41.5	Very low	41.9	Very low	111.4 Å²	111.4	76.5 Å²	76.5	68%	0.675	42%	0.424	S	S	*	.	H	α-helix	trans	-81.1	-40.6	-177.4	176.3	0	0	0	0	112.2	Q1422 Q1423 Q1424 P1429	Q1422-V1426 VanDerWaalsContact O-CG2 3.3Å; Q1422-V1426 WeakPolarHBondContact O-CG2 3.23Å; Q1422-V1426 PolarHBondContact O-N 2.97Å; Q1422-V1426 VanDerWaalsContact O-N 3.1Å; Q1423-V1426 PolarHBondContact O-N 3.08Å; Q1423-V1426 VanDerWaalsContact O-N 3.17Å; Q1424-V1426 VanDerWaalsContact C-N 3.3Å; Q1424-V1426 PolarHBondContact O-N 3.04Å; Q1424-V1426 VanDerWaalsContact O-N 3.08Å; V1426-P1429 WeakPolarHBondContact O-CD 3.25Å
1427	N	39.8	Very low	41	Very low	110.6 Å²	110.6	81.4 Å²	81.4	59%	0.591	45%	0.449	S	S	*	.	H	α-helix	trans	-88.7	-23.7	-169.9	-69.8	-17.2	0	0	0	114.2	Q1423 Q1424 P1429	Q1423-N1427 VanDerWaalsContact O-CB 3.27Å; Q1423-N1427 WeakPolarHBondContact O-CB 3.23Å; Q1423-N1427 VanDerWaalsContact O-CG 3.25Å; Q1423-N1427 PolarHBondContact O-N 2.94Å; Q1423-N1427 PolarHBondContact O-ND2 3.19Å; Q1424-N1427 PolarHBondContact O-N 3.21Å; N1427-P1429 VanDerWaalsContact C-CD 3.47Å; N1427-P1429 WeakPolarHBondContact O-CD 3.35Å
1428	Y	42.3	Very low	39.8	Very low	140.6 Å²	140.6	83.5 Å²	83.5	55%	0.551	47%	0.468	S	S	*	.			trans	-136	73.4	-178.7	-63.5	-85	0	0	0	111.8	P1357 Q1424 K1430 A1431 C1432	P1357-Y1428 HydrophobicContact CB-CE2 4.32Å; P1357-Y1428 HydrophobicContact CG-CD2 3.95Å; P1357-Y1428 VanDerWaalsContact CG-CD2 3.45Å; P1357-Y1428 HydrophobicContact CG-CE1 4.31Å; P1357-Y1428 HydrophobicContact CG-CE2 3.28Å; P1357-Y1428 VanDerWaalsContact CG-CE2 3.44Å; P1357-Y1428 HydrophobicContact CG-CG 4.35Å; P1357-Y1428 WeakPolarHBondContact CG-OH 3.3Å; Q1424-Y1428 HydrophobicContact CG-CD2 4.21Å; Q1424-Y1428 PolarHBondContact O-N 2.98Å; Q1424-Y1428 VanDerWaalsContact O-N 3.09Å; Y1428-K1430 PolarHBondContact O-N 3.2Å; Y1428-K1430 VanDerWaalsContact O-N 3.08Å; Y1428-A1431 VanDerWaalsContact CB-CB 3.5Å; Y1428-A1431 HydrophobicContact CG-CB 4.22Å; Y1428-A1431 CarbonylContact O-C 3.53Å; Y1428-A1431 WeakPolarHBondContact O-CA 3.42Å; Y1428-A1431 VanDerWaalsContact O-CB 3.26Å; Y1428-A1431 WeakPolarHBondContact O-CB 3.42Å; Y1428-A1431 PolarHBondContact O-N 3.08Å; Y1428-C1432 VanDerWaalsContact O-CB 3.24Å; Y1428-C1432 WeakPolarHBondContact O-CB 3.47Å; Y1428-C1432 PolarHBondContact O-N 3.32Å; Y1428-C1432 PolarHBondContact O-SG 3.3Å
1429	P	39.4	Very low	38.7	Very low	85.8 Å²	85.8	85.2 Å²	85.2	56%	0.557	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.7	-175.8	23.6	-33.1	0	0	0	114.3	A1425 V1426 N1427 A1431 C1432 F1727	A1425-P1429 WeakPolarHBondContact O-CA 3.03Å; V1426-P1429 WeakPolarHBondContact O-CD 3.25Å; N1427-P1429 VanDerWaalsContact C-CD 3.47Å; N1427-P1429 WeakPolarHBondContact O-CD 3.35Å; P1429-A1431 VanDerWaalsContact C-N 3.28Å; P1429-A1431 PolarHBondContact O-N 3Å; P1429-C1432 CarbonylContact C-O 3.55Å; P1429-C1432 PolarHBondContact O-N 3.17Å; P1429-F1727 HydrophobicContact CB-CD1 4.2Å; P1429-F1727 HydrophobicContact CB-CE1 4.44Å
1430	K	38.1	Very low	37.8	Very low	155.6 Å²	155.6	91.2 Å²	91.2	68%	0.677	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-9.4	172.2	-64.5	-170.8	176.7	-171.8	0	114.2	Y1428 C1432 I1486 E1732	Y1428-K1430 PolarHBondContact O-N 3.2Å; Y1428-K1430 VanDerWaalsContact O-N 3.08Å; K1430-C1432 PolarHBondContact O-N 3.08Å; K1430-I1486 HydrophobicContact CB-CB 4.14Å; K1430-I1486 HydrophobicContact CB-CD1 4.01Å; K1430-I1486 HydrophobicContact CB-CG1 3.82Å; K1430-I1486 HydrophobicContact CB-CG2 3.33Å; K1430-I1486 HydrophobicContact CD-CG2 3.76Å; K1430-I1486 HydrophobicContact CG-CG2 4.2Å; K1430-I1486 WeakPolarHBondContact O-CG2 3.47Å; K1430-E1732 WeakPolarHBondContact CE-OE1 3.5Å; K1430-E1732 IonicContact NZ-OE1 2.71Å; K1430-E1732 PolarHBondContact NZ-OE1 2.6Å; K1430-E1732 IonicContact NZ-OE2 2.73Å
1431	A	36.1	Very low	36.9	Very low	35.8 Å²	35.8	95.7 Å²	95.7	30%	0.296	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	24.2	172.2	0	0	0	0	0	111.6	Y1428 P1429 R1492 R1514	Y1428-A1431 VanDerWaalsContact CB-CB 3.5Å; Y1428-A1431 HydrophobicContact CG-CB 4.22Å; Y1428-A1431 CarbonylContact O-C 3.53Å; Y1428-A1431 WeakPolarHBondContact O-CA 3.42Å; Y1428-A1431 VanDerWaalsContact O-CB 3.26Å; Y1428-A1431 WeakPolarHBondContact O-CB 3.42Å; Y1428-A1431 PolarHBondContact O-N 3.08Å; P1429-A1431 VanDerWaalsContact C-N 3.28Å; P1429-A1431 PolarHBondContact O-N 3Å; A1431-R1492 PolarHBondContact O-NH2 3.06Å; A1431-R1514 PolarHBondContact O-NH2 2.89Å
1432	C	34	Very low	36.3	Very low	31 Å²	31	96.9 Å²	96.9	21%	0.209	54%	0.539	C	S	.	.			trans	-115.4	120.5	178.5	-75.3	0	0	0	0	111.7	Q1424 A1425 Y1428 P1429 K1430 G1434 P1485 I1486	Q1424-C1432 PolarHBondContact O-SG 3.17Å; A1425-C1432 VanDerWaalsContact CA-SG 3.58Å; A1425-C1432 WeakPolarHBondContact CA-SG 3.38Å; A1425-C1432 HydrophobicContact CB-CB 4.34Å; A1425-C1432 WeakPolarHBondContact CB-SG 3.46Å; A1425-C1432 PolarHBondContact N-SG 3.33Å; A1425-C1432 VanDerWaalsContact N-SG 3.36Å; A1425-C1432 PolarHBondContact O-SG 3.21Å; Y1428-C1432 VanDerWaalsContact O-CB 3.24Å; Y1428-C1432 WeakPolarHBondContact O-CB 3.47Å; Y1428-C1432 PolarHBondContact O-N 3.32Å; Y1428-C1432 PolarHBondContact O-SG 3.3Å; P1429-C1432 CarbonylContact C-O 3.55Å; P1429-C1432 PolarHBondContact O-N 3.17Å; K1430-C1432 PolarHBondContact O-N 3.08Å; C1432-G1434 PolarHBondContact O-N 3.17Å; C1432-P1485 HydrophobicContact CB-CB 4.39Å; C1432-P1485 HydrophobicContact CB-CG 3.97Å; C1432-P1485 WeakPolarHBondContact SG-CB 3.42Å; C1432-P1485 VanDerWaalsContact SG-CG 3.52Å; C1432-P1485 PolarHBondContact SG-O 2.91Å; C1432-I1486 HydrophobicContact CB-CD1 4.42Å; C1432-I1486 HydrophobicContact CB-CG1 3.74Å; C1432-I1486 WeakPolarHBondContact SG-CG1 3.46Å; C1432-I1486 PolarHBondContact SG-N 3.25Å
1433	I	34.8	Very low	35.8	Very low	60.4 Å²	60.4	94.4 Å²	94.4	31%	0.31	53%	0.529	S	S	.	.			trans	16.9	85.1	150.6	-55	167.6	0	0	0	110.5	T1420 A1425 R1514 W1729 R1730	T1420-I1433 HydrophobicContact CG2-CB 4.48Å; T1420-I1433 HydrophobicContact CG2-CD1 3.85Å; T1420-I1433 HydrophobicContact CG2-CG1 4.14Å; T1420-I1433 HydrophobicContact CG2-CG2 4.09Å; A1425-I1433 HydrophobicContact CB-CD1 3.87Å; I1433-R1514 PolarHBondContact O-NH1 2.93Å; I1433-R1514 VanDerWaalsContact O-NH1 3.12Å; I1433-R1514 PolarHBondContact O-NH2 2.91Å; I1433-W1729 HydrophobicContact CB-CZ2 3.71Å; I1433-W1729 HydrophobicContact CD1-CZ2 3.59Å; I1433-W1729 HydrophobicContact CG1-CZ2 4.22Å; I1433-W1729 HydrophobicContact CG2-CH2 4.47Å; I1433-W1729 HydrophobicContact CG2-CZ2 3.78Å; I1433-R1730 HydrophobicContact CD1-CG 4.48Å; I1433-R1730 PolarHBondContact O-NH2 2.69Å
1434	G	34.1	Very low	35.3	Very low	26.8 Å²	26.8	92.4 Å²	92.4	28%	0.276	52%	0.522	S	S	.	.	S	Bend	trans	-106.2	159.4	158.3	0	0	0	0	0	110.2	C1432 S1436 R1492	C1432-G1434 PolarHBondContact O-N 3.17Å; G1434-S1436 PolarHBondContact O-N 3.17Å; G1434-S1436 VanDerWaalsContact O-N 3.09Å; G1434-R1492 VanDerWaalsContact C-NH2 3.34Å; G1434-R1492 PolarHBondContact O-NH2 3.21Å
1435	P	31.5	Very low	34.5	Very low	88.2 Å²	88.2	93.3 Å²	93.3	57%	0.573	53%	0.533	S	S	*	.			trans	-54.8	111.8	-169.4	21.8	-32.2	0	0	0	111.8	L1356 P1357 I1437 I1486	L1356-P1435 HydrophobicContact CD2-CG 4.41Å; P1357-P1435 HydrophobicContact CB-CB 4.34Å; P1357-P1435 HydrophobicContact CG-CB 4.12Å; P1357-P1435 HydrophobicContact CG-CG 4.4Å; P1435-I1437 VanDerWaalsContact C-N 3.33Å; P1435-I1437 PolarHBondContact O-N 3.16Å; P1435-I1437 VanDerWaalsContact O-N 3.16Å; P1435-I1486 VanDerWaalsContact CA-CG2 3.43Å; P1435-I1486 WeakPolarHBondContact CA-O 3.24Å; P1435-I1486 HydrophobicContact CB-CB 4Å; P1435-I1486 HydrophobicContact CB-CG2 2.97Å; P1435-I1486 WeakPolarHBondContact CB-O 3.41Å; P1435-I1486 HydrophobicContact CG-CG2 4.41Å
1436	S	28.2	Very low	33.7	Very low	106 Å²	106	93.9 Å²	93.9	74%	0.741	54%	0.538	S	S	*	.			trans	-79.8	97.4	168.9	60.9	0	0	0	0	109.7	G1434 T1438	G1434-S1436 PolarHBondContact O-N 3.17Å; G1434-S1436 VanDerWaalsContact O-N 3.09Å; S1436-T1438 PolarHBondContact O-N 2.87Å; S1436-T1438 VanDerWaalsContact O-N 3.12Å
1437	I	33.2	Very low	33.2	Very low	122.4 Å²	122.4	94.7 Å²	94.7	63%	0.628	54%	0.537	S	S	*	.			trans	-88.8	121.8	158.3	-63	171.9	0	0	0	106.8	P1435 L1439 W1729	P1435-I1437 VanDerWaalsContact C-N 3.33Å; P1435-I1437 PolarHBondContact O-N 3.16Å; P1435-I1437 VanDerWaalsContact O-N 3.16Å; I1437-L1439 VanDerWaalsContact C-N 3.26Å; I1437-L1439 HydrophobicContact CB-CD1 4.49Å; I1437-L1439 HydrophobicContact CG2-CG 4.43Å; I1437-L1439 PolarHBondContact O-N 2.87Å; I1437-L1439 VanDerWaalsContact O-N 3.07Å; I1437-W1729 HydrophobicContact CD1-CH2 4.4Å; I1437-W1729 HydrophobicContact CD1-CZ2 3.54Å
1438	T	30.2	Very low	32.6	Very low	120.8 Å²	120.8	97.7 Å²	97.7	74%	0.741	55%	0.547	S	S	*	.			trans	-29.6	104.9	170.9	50.7	0	0	0	0	111.8	S1436 N1440	S1436-T1438 PolarHBondContact O-N 2.87Å; S1436-T1438 VanDerWaalsContact O-N 3.12Å; T1438-N1440 VanDerWaalsContact C-N 3.27Å; T1438-N1440 PolarHBondContact O-N 3.21Å; T1438-N1440 VanDerWaalsContact O-N 3.15Å
1439	L	32	Very low	32	Very low	116.4 Å²	116.4	99.4 Å²	99.4	61%	0.609	55%	0.554	S	S	*	*			trans	-90.8	66.1	176.9	-105.8	128.5	0	0	0	111.8	L1418 I1437 N1441 I1443 I1486	L1418-L1439 HydrophobicContact CB-CD2 4.24Å; L1418-L1439 HydrophobicContact CD1-CD2 3.67Å; L1418-L1439 HydrophobicContact CG-CD2 4.48Å; I1437-L1439 VanDerWaalsContact C-N 3.26Å; I1437-L1439 HydrophobicContact CB-CD1 4.49Å; I1437-L1439 HydrophobicContact CG2-CG 4.43Å; I1437-L1439 PolarHBondContact O-N 2.87Å; I1437-L1439 VanDerWaalsContact O-N 3.07Å; L1439-N1441 PolarHBondContact O-N 3.11Å; L1439-N1441 VanDerWaalsContact O-N 3.11Å; L1439-I1443 HydrophobicContact CD1-CD1 4.13Å; L1439-I1443 HydrophobicContact CD2-CD1 3.64Å; L1439-I1443 HydrophobicContact CD2-CG1 4.23Å; L1439-I1443 HydrophobicContact CG-CD1 4.5Å; L1439-I1486 HydrophobicContact CD1-CD1 4.32Å
1440	N	30.4	Very low	31.6	Very low	148.2 Å²	148.2	100.7 Å²	100.7	79%	0.793	56%	0.556	S	S	*	*	S	Bend	trans	-72.9	43.5	176.9	-83.5	-6.3	0	0	0	113.3	T1438	T1438-N1440 VanDerWaalsContact C-N 3.27Å; T1438-N1440 PolarHBondContact O-N 3.21Å; T1438-N1440 VanDerWaalsContact O-N 3.15Å
1441	N	29.6	Very low	31.5	Very low	127.2 Å²	127.2	101.4 Å²	101.4	68%	0.68	56%	0.559	S	S	*	*			trans	-146.4	94.7	164.7	-73.2	-20.4	0	0	0	110.5	L1439 I1443	L1439-N1441 PolarHBondContact O-N 3.11Å; L1439-N1441 VanDerWaalsContact O-N 3.11Å; N1441-I1443 HydrophobicContact CB-CG1 3.96Å; N1441-I1443 WeakPolarHBondContact O-CG1 3.48Å; N1441-I1443 PolarHBondContact O-N 3.06Å; N1441-I1443 VanDerWaalsContact O-N 3.11Å
1442	S	31.1	Very low	31.6	Very low	68.6 Å²	68.6	105.6 Å²	105.6	48%	0.48	58%	0.576	S	S	.	*			trans	-67.7	119.7	165	70.4	0	0	0	0	110.5	K1417 L1444	K1417-S1442 WeakPolarHBondContact CG-OG 3.3Å; S1442-L1444 VanDerWaalsContact C-N 3.32Å; S1442-L1444 CarbonylContact C-O 3.53Å; S1442-L1444 WeakPolarHBondContact O-CA 3.29Å; S1442-L1444 PolarHBondContact O-N 3.3Å
1443	I	33.9	Very low	31.7	Very low	98 Å²	98	110.7 Å²	110.7	50%	0.503	60%	0.602	S	S	.	*	S	Bend	trans	-70.5	48.5	174.7	-58.4	166.9	0	0	0	110	L1439 N1441 K1634 Q1635 I1637	L1439-I1443 HydrophobicContact CD1-CD1 4.13Å; L1439-I1443 HydrophobicContact CD2-CD1 3.64Å; L1439-I1443 HydrophobicContact CD2-CG1 4.23Å; L1439-I1443 HydrophobicContact CG-CD1 4.5Å; N1441-I1443 HydrophobicContact CB-CG1 3.96Å; N1441-I1443 WeakPolarHBondContact O-CG1 3.48Å; N1441-I1443 PolarHBondContact O-N 3.06Å; N1441-I1443 VanDerWaalsContact O-N 3.11Å; I1443-K1634 WeakPolarHBondContact CG2-O 3.27Å; I1443-Q1635 HydrophobicContact CB-CB 4.37Å; I1443-Q1635 HydrophobicContact CD1-CB 3.68Å; I1443-Q1635 VanDerWaalsContact CD1-CD 3.48Å; I1443-Q1635 HydrophobicContact CD1-CG 4.05Å; I1443-Q1635 HydrophobicContact CG1-CB 4.26Å; I1443-Q1635 HydrophobicContact CG2-CB 3.83Å; I1443-Q1635 HydrophobicContact CG2-CG 4.04Å; I1443-Q1635 WeakPolarHBondContact CG2-O 3.11Å; I1443-I1637 HydrophobicContact CB-CD1 4.04Å; I1443-I1637 HydrophobicContact CB-CG1 4.48Å; I1443-I1637 HydrophobicContact CD1-CD1 3.69Å; I1443-I1637 HydrophobicContact CD1-CG1 3.79Å; I1443-I1637 HydrophobicContact CG1-CD1 4.18Å
1444	L	30.9	Very low	31.8	Very low	89.6 Å²	89.6	110.9 Å²	110.9	47%	0.469	61%	0.608	S	S	.	*	S	Bend	trans	-83.6	119.8	167.2	-77.2	169.8	0	0	0	107.3	V1416 Q1424 S1442 A1446 P1494 P1582	V1416-L1444 HydrophobicContact CB-CD1 3.84Å; V1416-L1444 HydrophobicContact CG2-CD1 4.14Å; Q1424-L1444 VanDerWaalsContact CD-CD1 3.48Å; Q1424-L1444 HydrophobicContact CG-CD1 4.48Å; S1442-L1444 VanDerWaalsContact C-N 3.32Å; S1442-L1444 CarbonylContact C-O 3.53Å; S1442-L1444 WeakPolarHBondContact O-CA 3.29Å; S1442-L1444 PolarHBondContact O-N 3.3Å; L1444-A1446 VanDerWaalsContact C-N 3.32Å; L1444-A1446 PolarHBondContact O-N 3.26Å; L1444-A1446 VanDerWaalsContact O-N 3.14Å; L1444-P1494 HydrophobicContact CD1-CB 3.86Å; L1444-P1494 HydrophobicContact CD1-CG 3.88Å; L1444-P1494 VanDerWaalsContact CD1-CG 3.44Å; L1444-P1494 HydrophobicContact CG-CG 4.21Å; L1444-P1582 HydrophobicContact CD2-CG 3.66Å
1445	P	28.2	Very low	31.9	Very low	71.4 Å²	71.4	116 Å²	116	46%	0.464	63%	0.629	S	S	.	*			trans	-60.4	107.4	168	25.2	-29.4	0	0	0	106.9	I1447 K1631	P1445-I1447 PolarHBondContact O-N 3.09Å; P1445-I1447 VanDerWaalsContact O-N 3.16Å; P1445-K1631 HydrophobicContact CG-CD 4.25Å
1446	A	28.8	Very low	32.3	Very low	57 Å²	57	122.8 Å²	122.8	47%	0.471	64%	0.643	S	S	.	*			trans	-52	123.5	158	0	0	0	0	0	105	L1444 H1448	L1444-A1446 VanDerWaalsContact C-N 3.32Å; L1444-A1446 PolarHBondContact O-N 3.26Å; L1444-A1446 VanDerWaalsContact O-N 3.14Å; A1446-H1448 VanDerWaalsContact C-N 3.28Å; A1446-H1448 VanDerWaalsContact O-CA 3.3Å; A1446-H1448 WeakPolarHBondContact O-CA 3.27Å; A1446-H1448 WeakPolarHBondContact O-CB 3.45Å; A1446-H1448 PolarHBondContact O-N 3.12Å
1447	I	29.7	Very low	32.8	Very low	127.6 Å²	127.6	125.5 Å²	125.5	65%	0.654	65%	0.648	S	S	*	*			trans	-55	92.2	174.2	-62.1	166.9	0	0	0	106.2	P1445 Y1449	P1445-I1447 PolarHBondContact O-N 3.09Å; P1445-I1447 VanDerWaalsContact O-N 3.16Å; I1447-Y1449 VanDerWaalsContact C-N 3.31Å; I1447-Y1449 HydrophobicContact CG2-CD2 3.62Å; I1447-Y1449 HydrophobicContact CG2-CE2 3.93Å; I1447-Y1449 HydrophobicContact CG2-CG 4.41Å; I1447-Y1449 PolarHBondContact O-N 3.14Å
1448	H	27.3	Very low	32.9	Very low	173.4 Å²	173.4	126.4 Å²	126.4	80%	0.803	65%	0.654	S	S	*	*			trans	-73.7	93.1	170	-120	-45	0	0	0	103.5	A1446 N1450	A1446-H1448 VanDerWaalsContact C-N 3.28Å; A1446-H1448 VanDerWaalsContact O-CA 3.3Å; A1446-H1448 WeakPolarHBondContact O-CA 3.27Å; A1446-H1448 WeakPolarHBondContact O-CB 3.45Å; A1446-H1448 PolarHBondContact O-N 3.12Å; H1448-N1450 VanDerWaalsContact C-N 3.34Å; H1448-N1450 PolarHBondContact O-N 2.92Å
1449	Y	30.7	Very low	33	Very low	177.6 Å²	177.6	127.3 Å²	127.3	70%	0.696	66%	0.655	S	S	*	*			trans	-52.8	104.4	161.8	-103.1	-87.5	0	0	0	106	I1447 K1451	I1447-Y1449 VanDerWaalsContact C-N 3.31Å; I1447-Y1449 HydrophobicContact CG2-CD2 3.62Å; I1447-Y1449 HydrophobicContact CG2-CE2 3.93Å; I1447-Y1449 HydrophobicContact CG2-CG 4.41Å; I1447-Y1449 PolarHBondContact O-N 3.14Å; Y1449-K1451 VanDerWaalsContact C-N 3.33Å; Y1449-K1451 PolarHBondContact O-N 3.16Å; Y1449-K1451 VanDerWaalsContact O-N 3.13Å
1450	N	30.5	Very low	33.2	Very low	112.8 Å²	112.8	129.1 Å²	129.1	60%	0.603	66%	0.664	S	S	*	*			trans	-69.1	102.8	-178.2	-159.2	-3.4	0	0	0	105.7	H1448 N1452 N1453	H1448-N1450 VanDerWaalsContact C-N 3.34Å; H1448-N1450 PolarHBondContact O-N 2.92Å; N1450-N1452 PolarHBondContact O-N 3Å; N1450-N1453 PolarHBondContact O-N 2.95Å; N1450-N1453 VanDerWaalsContact O-N 3.11Å
1451	K	36.2	Very low	33.3	Very low	170.4 Å²	170.4	130.2 Å²	130.2	74%	0.741	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-52.5	-18.7	-173.8	-95.5	-178.3	174.6	-179.1	0	113.2	Y1449 N1453 C1454	Y1449-K1451 VanDerWaalsContact C-N 3.33Å; Y1449-K1451 PolarHBondContact O-N 3.16Å; Y1449-K1451 VanDerWaalsContact O-N 3.13Å; K1451-N1453 VanDerWaalsContact C-N 3.3Å; K1451-N1453 PolarHBondContact O-N 2.86Å; K1451-C1454 WeakPolarHBondContact O-CB 3.29Å; K1451-C1454 PolarHBondContact O-N 3.17Å
1452	N	38.8	Very low	33.4	Very low	123.2 Å²	123.2	127.8 Å²	127.8	66%	0.659	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-83.5	-13.2	-172.3	-65.8	-5.3	0	0	0	115.2	N1450 C1454	N1450-N1452 PolarHBondContact O-N 3Å; N1452-C1454 VanDerWaalsContact C-N 3.32Å
1453	N	36.5	Very low	33.4	Very low	138 Å²	138	131.4 Å²	131.4	74%	0.738	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-94	4	177.1	-87.6	5.2	0	0	0	114.4	N1450 K1451 N1455	N1450-N1453 PolarHBondContact O-N 2.95Å; N1450-N1453 VanDerWaalsContact O-N 3.11Å; K1451-N1453 VanDerWaalsContact C-N 3.3Å; K1451-N1453 PolarHBondContact O-N 2.86Å; N1453-N1455 PolarHBondContact O-N 3.08Å; N1453-N1455 VanDerWaalsContact O-N 3.16Å
1454	C	35.6	Very low	33.2	Very low	65.2 Å²	65.2	132.9 Å²	132.9	44%	0.441	68%	0.676	S	S	.	*			trans	-78.1	41.2	172.5	-66.2	0	0	0	0	112.2	K1451 N1452 C1462	K1451-C1454 WeakPolarHBondContact O-CB 3.29Å; K1451-C1454 PolarHBondContact O-N 3.17Å; N1452-C1454 VanDerWaalsContact C-N 3.32Å; C1454-C1462 VanDerWaalsContact CA-SG 3.56Å; C1454-C1462 HydrophobicContact CB-CB 3.83Å; C1454-C1462 WeakPolarHBondContact CB-SG 3.17Å; C1454-C1462 WeakPolarHBondContact SG-CB 3.36Å; C1454-C1462 CovalentContact SG-SG 2.06Å; C1454-C1462 PolarHBondContact SG-SG 3.28Å
1455	N	36.5	Very low	33.5	Very low	133.6 Å²	133.6	133.5 Å²	133.5	71%	0.714	68%	0.684	S	S	*	*			trans	-94.6	104.3	175.6	-79.8	-23.8	0	0	0	111	N1453 L1457 N1458	N1453-N1455 PolarHBondContact O-N 3.08Å; N1453-N1455 VanDerWaalsContact O-N 3.16Å; N1455-L1457 PolarHBondContact O-N 2.89Å; N1455-N1458 PolarHBondContact O-N 3.14Å
1456	R	40.2	Very low	34.1	Very low	232.4 Å²	232.4	135 Å²	135	88%	0.877	69%	0.692	S	S	*	*	S	Bend	trans	-73.3	23.5	176.9	-74.7	-178.8	177.8	-174.3	-0.5	115.7
1457	L	38.4	Very low	35	Very low	162.2 Å²	162.2	136.1 Å²	136.1	85%	0.849	69%	0.693	S	S	*	*	S	Bend	trans	-132.9	71	169.7	-79.2	129.7	0	0	0	112.9	N1455	N1455-L1457 PolarHBondContact O-N 2.89Å
1458	N	35	Very low	36.4	Very low	139.8 Å²	139.8	133.8 Å²	133.8	75%	0.748	68%	0.681	S	S	*	*			trans	51.8	74.1	175.4	-66.7	-9	0	0	0	116.1	N1455 L1460 H1461	N1455-N1458 PolarHBondContact O-N 3.14Å; N1458-L1460 VanDerWaalsContact C-N 3.27Å; N1458-L1460 PolarHBondContact O-N 2.96Å; N1458-L1460 VanDerWaalsContact O-N 3.13Å; N1458-H1461 PolarHBondContact O-N 3.25Å
1459	N	33.4	Very low	38.3	Very low	141.6 Å²	141.6	126.9 Å²	126.9	76%	0.757	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-60.5	9.8	179.1	-84.1	-10.7	0	0	0	116.1	H1461 C1462	N1459-H1461 VanDerWaalsContact C-N 3.27Å; N1459-H1461 PolarHBondContact O-N 2.86Å; N1459-C1462 PolarHBondContact O-N 2.93Å
1460	L	34.6	Very low	40.4	Very low	152.8 Å²	152.8	121.7 Å²	121.7	80%	0.8	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-90.9	-4.2	-179.8	-134.8	81	0	0	0	113.8	N1458	N1458-L1460 VanDerWaalsContact C-N 3.27Å; N1458-L1460 PolarHBondContact O-N 2.96Å; N1458-L1460 VanDerWaalsContact O-N 3.13Å
1461	H	34.1	Very low	42.7	Very low	172.4 Å²	172.4	116.4 Å²	116.4	80%	0.798	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-106.8	20.9	177.7	-77.4	-47.5	0	0	0	115.8	N1458 N1459 M1463	N1458-H1461 PolarHBondContact O-N 3.25Å; N1459-H1461 VanDerWaalsContact C-N 3.27Å; N1459-H1461 PolarHBondContact O-N 2.86Å; H1461-M1463 VanDerWaalsContact C-N 3.31Å; H1461-M1463 PolarHBondContact O-N 2.72Å
1462	C	31.4	Very low	45	Very low	75.2 Å²	75.2	108.4 Å²	108.4	51%	0.508	57%	0.569	S	S	.	*			trans	-95.9	44.8	167.9	-69.6	0	0	0	0	111.5	C1454 N1459 N1464	C1454-C1462 VanDerWaalsContact CA-SG 3.56Å; C1454-C1462 HydrophobicContact CB-CB 3.83Å; C1454-C1462 WeakPolarHBondContact CB-SG 3.17Å; C1454-C1462 WeakPolarHBondContact SG-CB 3.36Å; C1454-C1462 CovalentContact SG-SG 2.06Å; C1454-C1462 PolarHBondContact SG-SG 3.28Å; N1459-C1462 PolarHBondContact O-N 2.93Å; C1462-N1464 VanDerWaalsContact C-N 3.3Å; C1462-N1464 PolarHBondContact O-N 3.07Å; C1462-N1464 VanDerWaalsContact O-N 3.14Å
1463	M	29.7	Very low	47.3	Very low	144.4 Å²	144.4	102.5 Å²	102.5	71%	0.711	54%	0.537	S	S	*	.			trans	-62.8	114.7	166.3	-79.6	-98.7	-144.4	0	0	108.7	H1461 T1465	H1461-M1463 VanDerWaalsContact C-N 3.31Å; H1461-M1463 PolarHBondContact O-N 2.72Å; M1463-T1465 VanDerWaalsContact C-N 3.29Å; M1463-T1465 HydrophobicContact CB-CG2 4.18Å; M1463-T1465 PolarHBondContact O-N 3.04Å; M1463-T1465 VanDerWaalsContact O-N 3.1Å
1464	N	31.6	Very low	49.7	Very low	130.8 Å²	130.8	96 Å²	96	70%	0.699	50%	0.502	S	S	*	.			trans	-50.2	85.2	166.9	-85.6	-26.7	0	0	0	110.7	C1462 T1466	C1462-N1464 VanDerWaalsContact C-N 3.3Å; C1462-N1464 PolarHBondContact O-N 3.07Å; C1462-N1464 VanDerWaalsContact O-N 3.14Å; N1464-T1466 HydrophobicContact CB-CG2 4.03Å; N1464-T1466 WeakPolarHBondContact CB-OG1 3.46Å; N1464-T1466 PolarHBondContact O-N 2.92Å; N1464-T1466 PolarHBondContact O-OG1 3.24Å
1465	T	36.9	Very low	52.3	Low	101.6 Å²	101.6	92.9 Å²	92.9	62%	0.623	48%	0.482	S	S	*	.			trans	-75.5	53.8	162.8	48.5	0	0	0	0	109.7	M1463 T1467 I1468	M1463-T1465 VanDerWaalsContact C-N 3.29Å; M1463-T1465 HydrophobicContact CB-CG2 4.18Å; M1463-T1465 PolarHBondContact O-N 3.04Å; M1463-T1465 VanDerWaalsContact O-N 3.1Å; T1465-T1467 VanDerWaalsContact C-N 3.3Å; T1465-T1467 PolarHBondContact O-N 2.96Å; T1465-T1467 VanDerWaalsContact O-N 3.11Å; T1465-I1468 WeakPolarHBondContact O-CG1 3.28Å; T1465-I1468 PolarHBondContact O-N 2.99Å
1466	T	39.4	Very low	54.8	Low	103 Å²	103	86.8 Å²	86.8	63%	0.632	45%	0.448	S	S	*	.			trans	-73.5	13.2	174.4	46.5	0	0	0	0	111.7	N1464 I1468	N1464-T1466 HydrophobicContact CB-CG2 4.03Å; N1464-T1466 WeakPolarHBondContact CB-OG1 3.46Å; N1464-T1466 PolarHBondContact O-N 2.92Å; N1464-T1466 PolarHBondContact O-OG1 3.24Å; T1466-I1468 WeakPolarHBondContact O-CG1 3.24Å; T1466-I1468 PolarHBondContact O-N 2.97Å; T1466-I1468 VanDerWaalsContact O-N 3.14Å
1467	T	48.5	Very low	57	Low	80.4 Å²	80.4	76.3 Å²	76.3	49%	0.493	41%	0.41	S	S	.	.			trans	-96	51	177	54.2	0	0	0	0	111.1	M1385 S1415 K1417 T1465 T1469	M1385-T1467 HydrophobicContact CE-CG2 3.79Å; M1385-T1467 WeakPolarHBondContact CE-OG1 3.48Å; M1385-T1467 HydrophobicContact SD-CG2 4.33Å; S1415-T1467 VanDerWaalsContact OG-CB 3.31Å; S1415-T1467 WeakPolarHBondContact OG-CB 3.46Å; S1415-T1467 VanDerWaalsContact OG-CG2 3.28Å; S1415-T1467 WeakPolarHBondContact OG-CG2 3.31Å; S1415-T1467 PolarHBondContact OG-OG1 3.35Å; K1417-T1467 PolarHBondContact NZ-OG1 3.14Å; T1465-T1467 VanDerWaalsContact C-N 3.3Å; T1465-T1467 PolarHBondContact O-N 2.96Å; T1465-T1467 VanDerWaalsContact O-N 3.11Å; T1467-T1469 PolarHBondContact O-N 3.17Å; T1467-T1469 VanDerWaalsContact O-N 3.08Å
1468	I	58.6	Low	59.2	Low	78.2 Å²	78.2	69.4 Å²	69.4	40%	0.401	38%	0.375	S	S	.	.			trans	-74.6	84.7	173.6	-56	171	0	0	0	108.3	M1385 K1417 T1465 T1466 K1470	M1385-I1468 HydrophobicContact CE-CG2 3.18Å; M1385-I1468 HydrophobicContact SD-CG2 3.77Å; K1417-I1468 HydrophobicContact CB-CG2 4.17Å; K1417-I1468 HydrophobicContact CD-CB 4.42Å; K1417-I1468 HydrophobicContact CD-CD1 4.19Å; K1417-I1468 HydrophobicContact CD-CG2 3.95Å; K1417-I1468 HydrophobicContact CG-CG2 3.92Å; T1465-I1468 WeakPolarHBondContact O-CG1 3.28Å; T1465-I1468 PolarHBondContact O-N 2.99Å; T1466-I1468 WeakPolarHBondContact O-CG1 3.24Å; T1466-I1468 PolarHBondContact O-N 2.97Å; T1466-I1468 VanDerWaalsContact O-N 3.14Å; I1468-K1470 PolarHBondContact O-N 2.84Å
1469	T	67.3	Low	61.6	Low	28.6 Å²	28.6	63.3 Å²	63.3	18%	0.175	35%	0.345	C	S	.	.			trans	-69.5	124.9	175.4	58.9	0	0	0	0	109.1	T1467 L1518	T1467-T1469 PolarHBondContact O-N 3.17Å; T1467-T1469 VanDerWaalsContact O-N 3.08Å; T1469-L1518 VanDerWaalsContact CB-O 3.28Å; T1469-L1518 WeakPolarHBondContact CB-O 3.37Å; T1469-L1518 HydrophobicContact CG2-CB 3.73Å; T1469-L1518 VanDerWaalsContact CG2-N 3.34Å; T1469-L1518 WeakPolarHBondContact CG2-O 3.41Å
1470	K	74.3	Confident	64.1	Low	68.2 Å²	68.2	58 Å²	58	30%	0.297	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.7	174.6	-56.6	-170.7	-163.7	144.8	0	108.9	K1417 P1419 I1468 V1515 D1516	K1417-K1470 HydrophobicContact CB-CB 4.17Å; K1417-K1470 HydrophobicContact CB-CD 4.17Å; K1417-K1470 HydrophobicContact CB-CG 4.03Å; K1417-K1470 VanDerWaalsContact O-CA 3.26Å; K1417-K1470 WeakPolarHBondContact O-CA 3.15Å; K1417-K1470 VanDerWaalsContact O-CB 3.32Å; K1417-K1470 WeakPolarHBondContact O-CB 3.29Å; K1417-K1470 VanDerWaalsContact O-CG 3.32Å; K1417-K1470 WeakPolarHBondContact O-CG 3.29Å; P1419-K1470 HydrophobicContact CB-CB 4.25Å; P1419-K1470 HydrophobicContact CB-CD 4.4Å; I1468-K1470 PolarHBondContact O-N 2.84Å; K1470-V1515 CarbonylContact O-C 3.57Å; K1470-V1515 WeakPolarHBondContact O-CA 3.39Å; K1470-D1516 HydrophobicContact CB-CB 4.22Å; K1470-D1516 PolarHBondContact N-O 2.98Å; K1470-D1516 IonicContact NZ-OD2 3.21Å; K1470-D1516 PolarHBondContact NZ-OD2 3.09Å; K1470-D1516 PolarHBondContact O-N 3.07Å
1471	E	80	Confident	66.3	Low	3 Å²	3	56.1 Å²	56.1	1%	0.014	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.2	178.6	-60.6	-174.2	152.6	0	0	109.7	P1413 V1416 K1417 L1513 R1514 V1515 L1518 K1519 S1520 F1523	P1413-E1471 HydrophobicContact CG-CB 4.47Å; P1413-E1471 WeakPolarHBondContact CG-OE2 3.3Å; V1416-E1471 WeakPolarHBondContact CB-O 3.49Å; V1416-E1471 HydrophobicContact CG1-CB 3.73Å; V1416-E1471 HydrophobicContact CG1-CG 4.34Å; V1416-E1471 VanDerWaalsContact CG1-O 3.27Å; V1416-E1471 WeakPolarHBondContact CG1-O 3.29Å; V1416-E1471 HydrophobicContact CG2-CB 4.41Å; V1416-E1471 WeakPolarHBondContact CG2-O 3.4Å; K1417-E1471 PolarHBondContact O-N 3.43Å; E1471-L1513 HydrophobicContact CB-CD1 4.39Å; E1471-R1514 CarbonylContact C-O 3.56Å; E1471-R1514 VanDerWaalsContact CA-O 3.22Å; E1471-R1514 WeakPolarHBondContact CA-O 3.38Å; E1471-V1515 HydrophobicContact CG-CB 4.48Å; E1471-V1515 HydrophobicContact CG-CG1 4.35Å; E1471-V1515 HydrophobicContact CG-CG2 4.32Å; E1471-L1518 VanDerWaalsContact OE1-O 3.04Å; E1471-K1519 VanDerWaalsContact OE1-C 3.32Å; E1471-K1519 VanDerWaalsContact OE1-CA 3.23Å; E1471-K1519 WeakPolarHBondContact OE1-CA 3.35Å; E1471-K1519 WeakPolarHBondContact OE1-CG 3.19Å; E1471-S1520 WeakPolarHBondContact OE1-CB 3.19Å; E1471-S1520 PolarHBondContact OE1-N 3.21Å; E1471-S1520 PolarHBondContact OE1-OG 3.01Å; E1471-S1520 VanDerWaalsContact OE2-CB 3.26Å; E1471-S1520 WeakPolarHBondContact OE2-CB 3.33Å; E1471-S1520 PolarHBondContact OE2-N 3.35Å; E1471-S1520 PolarHBondContact OE2-OG 3.02Å; E1471-F1523 HydrophobicContact CB-CE2 4.3Å
1472	E	83.6	Confident	68.1	Low	1.2 Å²	1.2	55.4 Å²	55.4	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130	169.8	166	-176.9	-165.2	0	0	108.2	L1418 P1419 T1420 I1474 R1492 R1514	L1418-E1472 VanDerWaalsContact CD2-CD 3.48Å; L1418-E1472 HydrophobicContact CD2-CG 4.19Å; L1418-E1472 VanDerWaalsContact CD2-OE1 3.29Å; L1418-E1472 WeakPolarHBondContact CD2-OE1 3.26Å; P1419-E1472 HydrophobicContact CG-CB 4.14Å; P1419-E1472 VanDerWaalsContact CG-CD 3.44Å; P1419-E1472 HydrophobicContact CG-CG 3.58Å; T1420-E1472 WeakPolarHBondContact CG2-OE2 3.3Å; T1420-E1472 PolarHBondContact OG1-OE2 3.05Å; E1472-I1474 HydrophobicContact CG-CD1 4.41Å; E1472-I1474 HydrophobicContact CG-CG1 4.01Å; E1472-R1492 VanDerWaalsContact CD-NH2 3.27Å; E1472-R1492 WeakPolarHBondContact OE1-CD 3.3Å; E1472-R1492 IonicContact OE1-CZ 2.74Å; E1472-R1492 IonicContact OE1-NE 3.78Å; E1472-R1492 IonicContact OE1-NH1 3.61Å; E1472-R1492 PolarHBondContact OE1-NH1 3.07Å; E1472-R1492 IonicContact OE1-NH2 2.81Å; E1472-R1492 PolarHBondContact OE1-NH2 3.02Å; E1472-R1492 IonicContact OE2-CZ 3.78Å; E1472-R1492 IonicContact OE2-NE 2.73Å; E1472-R1492 IonicContact OE2-NH2 3.95Å; E1472-R1492 PolarHBondContact OE2-NH2 2.77Å; E1472-R1514 HydrophobicContact CB-CB 4.45Å; E1472-R1514 HydrophobicContact CG-CB 3.91Å; E1472-R1514 HydrophobicContact CG-CG 4.15Å; E1472-R1514 PolarHBondContact N-O 3.07Å; E1472-R1514 PolarHBondContact O-N 2.88Å; E1472-R1514 VanDerWaalsContact OE1-CD 3.29Å; E1472-R1514 WeakPolarHBondContact OE1-CD 3.37Å; E1472-R1514 IonicContact OE1-CZ 3.63Å; E1472-R1514 IonicContact OE1-NE 3.46Å; E1472-R1514 IonicContact OE1-NH1 3.88Å; E1472-R1514 PolarHBondContact OE1-NH1 3.01Å; E1472-R1514 IonicContact OE2-NH1 3.75Å
1473	L	87.9	Confident	70.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.6	171.2	-176.7	75.8	0	0	0	109.3	F1339 I1475 R1492 I1493 M1511 E1512 L1513 F1523 F1525	F1339-L1473 HydrophobicContact CE2-CD1 4.08Å; F1339-L1473 HydrophobicContact CZ-CD1 4.22Å; L1473-I1475 HydrophobicContact CD2-CD1 4.26Å; L1473-I1475 HydrophobicContact CD2-CG1 4.23Å; L1473-I1475 HydrophobicContact CG-CG1 4.45Å; L1473-R1492 CarbonylContact O-C 3.51Å; L1473-R1492 WeakPolarHBondContact O-CA 3.29Å; L1473-I1493 HydrophobicContact CB-CB 4.28Å; L1473-I1493 HydrophobicContact CB-CD1 4.3Å; L1473-I1493 HydrophobicContact CB-CG1 4.31Å; L1473-I1493 HydrophobicContact CD2-CD1 3.58Å; L1473-I1493 VanDerWaalsContact CD2-CD1 3.46Å; L1473-I1493 HydrophobicContact CD2-CG1 4.16Å; L1473-I1493 HydrophobicContact CG-CD1 4.32Å; L1473-I1493 PolarHBondContact N-O 2.82Å; L1473-I1493 PolarHBondContact O-N 2.92Å; L1473-M1511 HydrophobicContact CD1-CB 4.49Å; L1473-M1511 HydrophobicContact CD1-CE 4.31Å; L1473-E1512 CarbonylContact C-O 3.57Å; L1473-E1512 WeakPolarHBondContact CA-O 3.35Å; L1473-E1512 WeakPolarHBondContact CD1-O 3.13Å; L1473-L1513 HydrophobicContact CB-CD1 4.47Å; L1473-L1513 HydrophobicContact CD1-CB 4.13Å; L1473-L1513 HydrophobicContact CD1-CD1 4.31Å; L1473-F1523 HydrophobicContact CB-CE1 3.98Å; L1473-F1523 HydrophobicContact CB-CE2 4.46Å; L1473-F1523 HydrophobicContact CB-CZ 3.91Å; L1473-F1523 HydrophobicContact CD2-CD1 4.09Å; L1473-F1523 HydrophobicContact CD2-CE1 4.1Å; L1473-F1523 HydrophobicContact CD2-CG 4.47Å; L1473-F1523 HydrophobicContact CD2-CZ 4.38Å; L1473-F1525 HydrophobicContact CD1-CZ 4.42Å; L1473-F1525 HydrophobicContact CD2-CE1 3.55Å; L1473-F1525 HydrophobicContact CD2-CE2 4.37Å; L1473-F1525 HydrophobicContact CD2-CZ 3.35Å; L1473-F1525 VanDerWaalsContact CD2-CZ 3.44Å
1474	I	87.7	Confident	72.6	Confident	0.6 Å²	0.6	49.4 Å²	49.4	0%	0.003	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.4	175.5	-47.8	178.5	0	0	0	108.5	E1472 Y1476 N1490 W1491 R1492 E1512 R1514	E1472-I1474 HydrophobicContact CG-CD1 4.41Å; E1472-I1474 HydrophobicContact CG-CG1 4.01Å; I1474-Y1476 HydrophobicContact CB-CE2 3.95Å; I1474-Y1476 HydrophobicContact CG2-CD1 4.41Å; I1474-Y1476 HydrophobicContact CG2-CD2 4.07Å; I1474-Y1476 HydrophobicContact CG2-CE1 3.91Å; I1474-Y1476 HydrophobicContact CG2-CE2 3.52Å; I1474-Y1476 VanDerWaalsContact CG2-CE2 3.49Å; I1474-Y1476 HydrophobicContact CG2-CG 4.48Å; I1474-Y1476 VanDerWaalsContact CG2-CZ 3.44Å; I1474-N1490 HydrophobicContact CG2-CB 4.03Å; I1474-W1491 CarbonylContact C-O 3.51Å; I1474-W1491 VanDerWaalsContact CA-O 3.3Å; I1474-W1491 WeakPolarHBondContact CA-O 3.36Å; I1474-R1492 HydrophobicContact CG1-CG 4.19Å; I1474-R1492 HydrophobicContact CG2-CG 4.14Å; I1474-E1512 HydrophobicContact CB-CB 4.4Å; I1474-E1512 PolarHBondContact N-O 2.9Å; I1474-E1512 PolarHBondContact O-N 2.99Å; I1474-R1514 VanDerWaalsContact CD1-CZ 3.48Å
1475	I	89.2	Confident	74.4	Confident	1.4 Å²	1.4	44.4 Å²	44.4	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.1	174.7	-58.2	178.2	0	0	0	107.5	I1407 L1473 N1490 W1491 F1500 L1502 L1509 I1510 M1511	I1407-I1475 HydrophobicContact CD1-CD1 4.24Å; I1407-I1475 HydrophobicContact CD1-CG2 4.26Å; I1407-I1475 HydrophobicContact CG2-CD1 4.43Å; L1473-I1475 HydrophobicContact CD2-CD1 4.26Å; L1473-I1475 HydrophobicContact CD2-CG1 4.23Å; L1473-I1475 HydrophobicContact CG-CG1 4.45Å; I1475-N1490 CarbonylContact O-C 3.52Å; I1475-N1490 WeakPolarHBondContact O-CA 3.38Å; I1475-N1490 VanDerWaalsContact O-CB 3.32Å; I1475-N1490 WeakPolarHBondContact O-CB 3.4Å; I1475-W1491 HydrophobicContact CB-CE3 4.11Å; I1475-W1491 HydrophobicContact CG2-CE3 3.94Å; I1475-W1491 HydrophobicContact CG2-CZ3 4.24Å; I1475-W1491 PolarHBondContact N-O 3.08Å; I1475-W1491 PolarHBondContact O-N 2.94Å; I1475-F1500 HydrophobicContact CD1-CE1 3.95Å; I1475-F1500 HydrophobicContact CD1-CZ 3.75Å; I1475-L1502 HydrophobicContact CB-CD1 4.42Å; I1475-L1502 HydrophobicContact CD1-CD1 3.83Å; I1475-L1502 HydrophobicContact CG2-CD1 4.38Å; I1475-L1509 HydrophobicContact CG2-CD1 3.89Å; I1475-L1509 HydrophobicContact CG2-CD2 3.8Å; I1475-L1509 VanDerWaalsContact CG2-CD2 3.45Å; I1475-L1509 HydrophobicContact CG2-CG 3.7Å; I1475-I1510 CarbonylContact C-O 3.56Å; I1475-I1510 WeakPolarHBondContact CA-O 3.3Å; I1475-M1511 HydrophobicContact CD1-CE 4.45Å; I1475-M1511 HydrophobicContact CD1-SD 4.25Å; I1475-M1511 HydrophobicContact CG1-CG 4.24Å; I1475-M1511 HydrophobicContact CG1-SD 4.38Å; I1475-M1511 HydrophobicContact CG2-CG 4.47Å
1476	Y	88.9	Confident	75.8	Confident	4.2 Å²	4.2	43.3 Å²	43.3	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.4	178.1	-59.6	-89.6	0	0	0	110.3	I1474 S1478 F1483 P1485 V1488 N1490 L1509 I1510 E1512	I1474-Y1476 HydrophobicContact CB-CE2 3.95Å; I1474-Y1476 HydrophobicContact CG2-CD1 4.41Å; I1474-Y1476 HydrophobicContact CG2-CD2 4.07Å; I1474-Y1476 HydrophobicContact CG2-CE1 3.91Å; I1474-Y1476 HydrophobicContact CG2-CE2 3.52Å; I1474-Y1476 VanDerWaalsContact CG2-CE2 3.49Å; I1474-Y1476 HydrophobicContact CG2-CG 4.48Å; I1474-Y1476 VanDerWaalsContact CG2-CZ 3.44Å; Y1476-S1478 PolarHBondContact O-N 2.91Å; Y1476-F1483 AromaticContact CD1-CE2 3.65Å; Y1476-F1483 HydrophobicContact CD1-CE2 3.65Å; Y1476-F1483 AromaticContact CD1-CZ 3.81Å; Y1476-F1483 HydrophobicContact CD1-CZ 3.81Å; Y1476-F1483 AromaticContact CD2-CE2 3.97Å; Y1476-F1483 HydrophobicContact CD2-CE2 4.05Å; Y1476-F1483 AromaticContact CD2-CZ 3.75Å; Y1476-F1483 HydrophobicContact CD2-CZ 3.75Å; Y1476-F1483 HydrophobicContact CE1-CE2 4.18Å; Y1476-F1483 AromaticContact CE1-CZ 3.86Å; Y1476-F1483 HydrophobicContact CE1-CZ 3.91Å; Y1476-F1483 HydrophobicContact CE2-CE2 4.46Å; Y1476-F1483 AromaticContact CE2-CZ 3.83Å; Y1476-F1483 HydrophobicContact CE2-CZ 3.83Å; Y1476-F1483 AromaticContact CG-CE2 3.58Å; Y1476-F1483 HydrophobicContact CG-CE2 3.58Å; Y1476-F1483 AromaticContact CG-CZ 3.74Å; Y1476-F1483 HydrophobicContact CG-CZ 3.74Å; Y1476-F1483 AromaticContact CZ-CZ 3.87Å; Y1476-P1485 HydrophobicContact CD1-CB 4.15Å; Y1476-P1485 HydrophobicContact CE1-CB 3.67Å; Y1476-V1488 HydrophobicContact CD1-CB 4.5Å; Y1476-V1488 HydrophobicContact CD1-CG1 4.37Å; Y1476-N1490 HydrophobicContact CD1-CB 3.6Å; Y1476-N1490 HydrophobicContact CE1-CB 3.84Å; Y1476-N1490 HydrophobicContact CG-CB 4.31Å; Y1476-L1509 VanDerWaalsContact O-CD2 3.31Å; Y1476-L1509 WeakPolarHBondContact O-CD2 3.36Å; Y1476-I1510 HydrophobicContact CD2-CB 4.37Å; Y1476-I1510 HydrophobicContact CD2-CG2 4.06Å; Y1476-I1510 PolarHBondContact N-O 3.05Å; Y1476-I1510 PolarHBondContact O-N 3.15Å; Y1476-I1510 VanDerWaalsContact O-N 3.09Å; Y1476-E1512 HydrophobicContact CD2-CB 4.47Å; Y1476-E1512 HydrophobicContact CE2-CB 3.94Å; Y1476-E1512 PolarHBondContact OH-OE1 2.78Å
1477	D	86.7	Confident	77.4	Confident	13 Å²	13	46 Å²	46	7%	0.07	25%	0.246	C	C	.	.	S	Bend	trans	-78.5	59.5	177.4	-165.2	23.8	0	0	0	112.3	V1488 Y1489 W1491 S1504 S1505 L1509 H1553 Y1554	D1477-V1488 HydrophobicContact CB-CG1 4.37Å; D1477-Y1489 PolarHBondContact N-O 3.04Å; D1477-Y1489 VanDerWaalsContact N-O 3.12Å; D1477-W1491 HydrophobicContact CB-CH2 3.86Å; D1477-W1491 HydrophobicContact CB-CZ3 3.79Å; D1477-S1504 VanDerWaalsContact OD1-CA 3.3Å; D1477-S1504 WeakPolarHBondContact OD1-CA 3.25Å; D1477-S1504 WeakPolarHBondContact OD1-CB 3.35Å; D1477-S1504 PolarHBondContact OD1-OG 3.3Å; D1477-S1505 VanDerWaalsContact CG-OG 3.24Å; D1477-S1505 PolarHBondContact OD1-N 3.02Å; D1477-S1505 PolarHBondContact OD1-OG 3.17Å; D1477-S1505 VanDerWaalsContact OD2-CB 3.29Å; D1477-S1505 WeakPolarHBondContact OD2-CB 3.36Å; D1477-S1505 PolarHBondContact OD2-N 3.15Å; D1477-S1505 VanDerWaalsContact OD2-N 3.14Å; D1477-S1505 PolarHBondContact OD2-OG 3Å; D1477-L1509 HydrophobicContact CB-CD2 4.43Å; D1477-H1553 IonicContact OD2-CE1 3.96Å; D1477-H1553 PolarHBondContact OD2-CE1 3.44Å; D1477-H1553 IonicContact OD2-ND1 3.95Å; D1477-H1553 PolarHBondContact OD2-ND1 2.97Å; D1477-Y1554 VanDerWaalsContact OD2-CE1 3.31Å; D1477-Y1554 WeakPolarHBondContact OD2-CE1 3.29Å
1478	S	84.8	Confident	78.7	Confident	17.2 Å²	17.2	43.4 Å²	43.4	12%	0.12	23%	0.23	C	C	.	.	S	Bend	trans	-161.7	164.4	178.8	66	0	0	0	0	111.6	Y1476 F1483 V1488 L1509 I1510	Y1476-S1478 PolarHBondContact O-N 2.91Å; S1478-F1483 VanDerWaalsContact OG-CD2 3.27Å; S1478-F1483 WeakPolarHBondContact OG-CD2 3.3Å; S1478-V1488 WeakPolarHBondContact OG-CG1 3.28Å; S1478-L1509 CarbonylContact O-C 3.55Å; S1478-L1509 VanDerWaalsContact O-C 3.24Å; S1478-L1509 VanDerWaalsContact O-CA 3.31Å; S1478-L1509 WeakPolarHBondContact O-CA 3.38Å; S1478-I1510 WeakPolarHBondContact O-CD1 3.42Å; S1478-I1510 VanDerWaalsContact O-CG1 3.29Å; S1478-I1510 WeakPolarHBondContact O-CG1 3.33Å; S1478-I1510 PolarHBondContact O-N 3.1Å; S1478-I1510 VanDerWaalsContact O-N 3.12Å
1479	G	85.9	Confident	79.7	Confident	11 Å²	11	44.4 Å²	44.4	11%	0.113	23%	0.229	C	C	.	.			trans	-90.9	177.6	162	0	0	0	0	0	112.7	E1393 V1481 F1483 I1510	E1393-G1479 VanDerWaalsContact OE2-CA 3.26Å; E1393-G1479 WeakPolarHBondContact OE2-CA 3.37Å; G1479-V1481 VanDerWaalsContact C-N 3.29Å; G1479-V1481 PolarHBondContact O-N 3Å; G1479-F1483 WeakPolarHBondContact O-CB 3.32Å; G1479-I1510 VanDerWaalsContact C-CD1 3.47Å; G1479-I1510 WeakPolarHBondContact O-CD1 3.37Å
1480	F	85.5	Confident	80.4	Confident	30.2 Å²	30.2	45 Å²	45	13%	0.132	23%	0.231	C	C	.	.	S	Bend	trans	-65.1	-30.2	-179.5	-77.8	-59.1	0	0	0	113.6	E1364 Y1366 R1391 E1393 N1482 F1483 I1510	E1364-F1480 HydrophobicContact CB-CE1 4.31Å; E1364-F1480 HydrophobicContact CB-CZ 4.01Å; E1364-F1480 HydrophobicContact CG-CE1 4.36Å; E1364-F1480 HydrophobicContact CG-CZ 4.43Å; E1364-F1480 WeakPolarHBondContact OE1-CE1 3.49Å; Y1366-F1480 AromaticContact CD1-CD2 3.94Å; Y1366-F1480 HydrophobicContact CD1-CD2 3.98Å; Y1366-F1480 HydrophobicContact CD1-CE2 4.14Å; Y1366-F1480 HydrophobicContact CD2-CE2 4.44Å; Y1366-F1480 HydrophobicContact CE1-CB 4.46Å; Y1366-F1480 AromaticContact CE1-CD2 3.28Å; Y1366-F1480 HydrophobicContact CE1-CD2 3.28Å; Y1366-F1480 AromaticContact CE1-CE2 3.77Å; Y1366-F1480 HydrophobicContact CE1-CE2 3.77Å; Y1366-F1480 HydrophobicContact CE1-CG 4.29Å; Y1366-F1480 HydrophobicContact CE2-CD2 4.29Å; Y1366-F1480 HydrophobicContact CE2-CE2 4.15Å; Y1366-F1480 HydrophobicContact CG-CE2 4.49Å; Y1366-F1480 AromaticContact CZ-CD2 3.44Å; Y1366-F1480 VanDerWaalsContact CZ-CD2 3.46Å; Y1366-F1480 AromaticContact CZ-CE2 3.75Å; Y1366-F1480 WeakPolarHBondContact OH-CD2 3.03Å; R1391-F1480 HydrophobicContact CG-CE1 3.8Å; R1391-F1480 HydrophobicContact CG-CZ 3.95Å; E1393-F1480 HydrophobicContact CB-CD2 3.34Å; E1393-F1480 HydrophobicContact CB-CE1 4.38Å; E1393-F1480 HydrophobicContact CB-CE2 3.3Å; E1393-F1480 HydrophobicContact CB-CG 4.3Å; E1393-F1480 HydrophobicContact CB-CZ 4.2Å; E1393-F1480 HydrophobicContact CG-CD2 4.24Å; E1393-F1480 WeakPolarHBondContact OE2-CB 3.31Å; E1393-F1480 WeakPolarHBondContact OE2-CD2 3.4Å; E1393-F1480 WeakPolarHBondContact OE2-CG 3.35Å; E1393-F1480 PolarHBondContact OE2-N 3.13Å; F1480-N1482 PolarHBondContact O-N 3.18Å; F1480-F1483 VanDerWaalsContact O-CB 3.28Å; F1480-F1483 WeakPolarHBondContact O-CB 3.32Å; F1480-F1483 PolarHBondContact O-N 3.06Å; F1480-F1483 VanDerWaalsContact O-N 3.11Å; F1480-I1510 HydrophobicContact CD1-CD1 3.97Å; F1480-I1510 HydrophobicContact CD1-CG1 4.16Å; F1480-I1510 HydrophobicContact CE1-CD1 4.24Å; F1480-I1510 HydrophobicContact CE1-CG1 3.73Å; F1480-I1510 HydrophobicContact CE1-CG2 3.94Å; F1480-I1510 HydrophobicContact CG-CD1 4.36Å
1481	V	80.9	Confident	80.8	Confident	114.2 Å²	114.2	42.1 Å²	42.1	69%	0.692	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	118.1	-179.6	-176.9	0	0	0	0	109.2	G1479 F1483	G1479-V1481 VanDerWaalsContact C-N 3.29Å; G1479-V1481 PolarHBondContact O-N 3Å; V1481-F1483 VanDerWaalsContact C-N 3.25Å; V1481-F1483 PolarHBondContact O-N 3.2Å
1482	N	71.5	Confident	80.9	Confident	157.8 Å²	157.8	44.3 Å²	44.3	84%	0.844	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	25.4	-173.3	-54.5	-33.6	0	0	0	114.5	F1480 N1484	F1480-N1482 PolarHBondContact O-N 3.18Å; N1482-N1484 PolarHBondContact O-N 3.08Å; N1482-N1484 VanDerWaalsContact O-N 3.1Å
1483	F	78.4	Confident	80.8	Confident	38.8 Å²	38.8	44.3 Å²	44.3	17%	0.17	23%	0.227	C	C	.	.			trans	-61.5	113.8	177.7	177.7	-125.7	0	0	0	111.7	Y1476 S1478 G1479 F1480 V1481 P1485 V1488 I1510	Y1476-F1483 AromaticContact CD1-CE2 3.65Å; Y1476-F1483 HydrophobicContact CD1-CE2 3.65Å; Y1476-F1483 AromaticContact CD1-CZ 3.81Å; Y1476-F1483 HydrophobicContact CD1-CZ 3.81Å; Y1476-F1483 AromaticContact CD2-CE2 3.97Å; Y1476-F1483 HydrophobicContact CD2-CE2 4.05Å; Y1476-F1483 AromaticContact CD2-CZ 3.75Å; Y1476-F1483 HydrophobicContact CD2-CZ 3.75Å; Y1476-F1483 HydrophobicContact CE1-CE2 4.18Å; Y1476-F1483 AromaticContact CE1-CZ 3.86Å; Y1476-F1483 HydrophobicContact CE1-CZ 3.91Å; Y1476-F1483 HydrophobicContact CE2-CE2 4.46Å; Y1476-F1483 AromaticContact CE2-CZ 3.83Å; Y1476-F1483 HydrophobicContact CE2-CZ 3.83Å; Y1476-F1483 AromaticContact CG-CE2 3.58Å; Y1476-F1483 HydrophobicContact CG-CE2 3.58Å; Y1476-F1483 AromaticContact CG-CZ 3.74Å; Y1476-F1483 HydrophobicContact CG-CZ 3.74Å; Y1476-F1483 AromaticContact CZ-CZ 3.87Å; S1478-F1483 VanDerWaalsContact OG-CD2 3.27Å; S1478-F1483 WeakPolarHBondContact OG-CD2 3.3Å; G1479-F1483 WeakPolarHBondContact O-CB 3.32Å; F1480-F1483 VanDerWaalsContact O-CB 3.28Å; F1480-F1483 WeakPolarHBondContact O-CB 3.32Å; F1480-F1483 PolarHBondContact O-N 3.06Å; F1480-F1483 VanDerWaalsContact O-N 3.11Å; V1481-F1483 VanDerWaalsContact C-N 3.25Å; V1481-F1483 PolarHBondContact O-N 3.2Å; F1483-P1485 HydrophobicContact CD1-CG 4.49Å; F1483-P1485 HydrophobicContact CE1-CB 4.23Å; F1483-P1485 HydrophobicContact CE1-CG 4.23Å; F1483-P1485 HydrophobicContact CE2-CB 4.23Å; F1483-P1485 HydrophobicContact CE2-CG 4.35Å; F1483-P1485 HydrophobicContact CZ-CB 3.74Å; F1483-P1485 HydrophobicContact CZ-CG 4.22Å; F1483-V1488 HydrophobicContact CD2-CG2 4.38Å; F1483-I1510 HydrophobicContact CB-CD1 4.3Å; F1483-I1510 HydrophobicContact CD1-CD1 4.24Å; F1483-I1510 HydrophobicContact CD2-CD1 3.67Å; F1483-I1510 HydrophobicContact CE1-CD1 4.28Å; F1483-I1510 HydrophobicContact CE2-CD1 3.97Å; F1483-I1510 HydrophobicContact CG-CD1 3.81Å; F1483-I1510 HydrophobicContact CZ-CD1 4.31Å
1484	N	76.4	Confident	80	Confident	53 Å²	53	45.8 Å²	45.8	28%	0.283	24%	0.236	S	C	.	.			trans	-122.8	102.7	169.4	-175.2	-3.2	0	0	0	109.6	N1482 I1486 Q1487 V1488	N1482-N1484 PolarHBondContact O-N 3.08Å; N1482-N1484 VanDerWaalsContact O-N 3.1Å; N1484-I1486 PolarHBondContact O-N 2.96Å; N1484-I1486 VanDerWaalsContact OD1-CB 3.28Å; N1484-I1486 WeakPolarHBondContact OD1-CB 3.22Å; N1484-I1486 PolarHBondContact OD1-N 3.03Å; N1484-Q1487 HydrophobicContact CB-CB 4.39Å; N1484-Q1487 VanDerWaalsContact ND2-CD 3.3Å; N1484-Q1487 PolarHBondContact ND2-OE1 3.25Å; N1484-Q1487 PolarHBondContact O-N 3.18Å; N1484-Q1487 VanDerWaalsContact O-N 3.1Å; N1484-V1488 VanDerWaalsContact O-CG2 3.29Å; N1484-V1488 WeakPolarHBondContact O-CG2 3.38Å; N1484-V1488 PolarHBondContact O-N 3.17Å; N1484-V1488 VanDerWaalsContact O-N 3.14Å
1485	P	69.6	Low	79.3	Confident	26.4 Å²	26.4	49.4 Å²	49.4	17%	0.171	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.3	-174	23.6	-33	0	0	0	114.1	C1432 Y1476 F1483 Q1487 N1490	C1432-P1485 HydrophobicContact CB-CB 4.39Å; C1432-P1485 HydrophobicContact CB-CG 3.97Å; C1432-P1485 WeakPolarHBondContact SG-CB 3.42Å; C1432-P1485 VanDerWaalsContact SG-CG 3.52Å; C1432-P1485 PolarHBondContact SG-O 2.91Å; Y1476-P1485 HydrophobicContact CD1-CB 4.15Å; Y1476-P1485 HydrophobicContact CE1-CB 3.67Å; F1483-P1485 HydrophobicContact CD1-CG 4.49Å; F1483-P1485 HydrophobicContact CE1-CB 4.23Å; F1483-P1485 HydrophobicContact CE1-CG 4.23Å; F1483-P1485 HydrophobicContact CE2-CB 4.23Å; F1483-P1485 HydrophobicContact CE2-CG 4.35Å; F1483-P1485 HydrophobicContact CZ-CB 3.74Å; F1483-P1485 HydrophobicContact CZ-CG 4.22Å; P1485-Q1487 VanDerWaalsContact C-N 3.34Å; P1485-N1490 PolarHBondContact O-ND2 3.07Å
1486	I	66.8	Low	78.7	Confident	79.4 Å²	79.4	49.9 Å²	49.9	41%	0.407	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-35.8	177.7	-61.4	172.7	0	0	0	110.8	K1430 C1432 P1435 L1439 N1484	K1430-I1486 HydrophobicContact CB-CB 4.14Å; K1430-I1486 HydrophobicContact CB-CD1 4.01Å; K1430-I1486 HydrophobicContact CB-CG1 3.82Å; K1430-I1486 HydrophobicContact CB-CG2 3.33Å; K1430-I1486 HydrophobicContact CD-CG2 3.76Å; K1430-I1486 HydrophobicContact CG-CG2 4.2Å; K1430-I1486 WeakPolarHBondContact O-CG2 3.47Å; C1432-I1486 HydrophobicContact CB-CD1 4.42Å; C1432-I1486 HydrophobicContact CB-CG1 3.74Å; C1432-I1486 WeakPolarHBondContact SG-CG1 3.46Å; C1432-I1486 PolarHBondContact SG-N 3.25Å; P1435-I1486 VanDerWaalsContact CA-CG2 3.43Å; P1435-I1486 WeakPolarHBondContact CA-O 3.24Å; P1435-I1486 HydrophobicContact CB-CB 4Å; P1435-I1486 HydrophobicContact CB-CG2 2.97Å; P1435-I1486 WeakPolarHBondContact CB-O 3.41Å; P1435-I1486 HydrophobicContact CG-CG2 4.41Å; L1439-I1486 HydrophobicContact CD1-CD1 4.32Å; N1484-I1486 PolarHBondContact O-N 2.96Å; N1484-I1486 VanDerWaalsContact OD1-CB 3.28Å; N1484-I1486 WeakPolarHBondContact OD1-CB 3.22Å; N1484-I1486 PolarHBondContact OD1-N 3.03Å
1487	Q	72.9	Confident	78.5	Confident	158.6 Å²	158.6	50.2 Å²	50.2	74%	0.741	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-19	-173.7	-69.5	176.1	-26.3	0	0	113	N1484 P1485	N1484-Q1487 HydrophobicContact CB-CB 4.39Å; N1484-Q1487 VanDerWaalsContact ND2-CD 3.3Å; N1484-Q1487 PolarHBondContact ND2-OE1 3.25Å; N1484-Q1487 PolarHBondContact O-N 3.18Å; N1484-Q1487 VanDerWaalsContact O-N 3.1Å; P1485-Q1487 VanDerWaalsContact C-N 3.34Å
1488	V	75.2	Confident	78.4	Confident	27.2 Å²	27.2	49.8 Å²	49.8	17%	0.165	25%	0.254	C	S	.	.	S	Bend	trans	-87	136.2	-176.8	176.6	0	0	0	0	110.9	Y1476 D1477 S1478 F1483 N1484 N1490	Y1476-V1488 HydrophobicContact CD1-CB 4.5Å; Y1476-V1488 HydrophobicContact CD1-CG1 4.37Å; D1477-V1488 HydrophobicContact CB-CG1 4.37Å; S1478-V1488 WeakPolarHBondContact OG-CG1 3.28Å; F1483-V1488 HydrophobicContact CD2-CG2 4.38Å; N1484-V1488 VanDerWaalsContact O-CG2 3.29Å; N1484-V1488 WeakPolarHBondContact O-CG2 3.38Å; N1484-V1488 PolarHBondContact O-N 3.17Å; N1484-V1488 VanDerWaalsContact O-N 3.14Å; V1488-N1490 PolarHBondContact O-N 3.22Å; V1488-N1490 PolarHBondContact O-ND2 3.03Å; V1488-N1490 VanDerWaalsContact O-ND2 3.1Å
1489	Y	80.5	Confident	78.4	Confident	99.4 Å²	99.4	50.8 Å²	50.8	39%	0.39	26%	0.255	S	S	.	.			trans	-60.5	129	171.9	-150.3	-92.4	0	0	0	110.2	D1477 W1491 R1499 H1553 Y1554	D1477-Y1489 PolarHBondContact N-O 3.04Å; D1477-Y1489 VanDerWaalsContact N-O 3.12Å; Y1489-W1491 HydrophobicContact CD1-CD2 4.27Å; Y1489-W1491 AromaticContact CD1-CE2 3.73Å; Y1489-W1491 HydrophobicContact CD1-CE3 4.48Å; Y1489-W1491 AromaticContact CD1-CH2 3.84Å; Y1489-W1491 HydrophobicContact CD1-CH2 3.88Å; Y1489-W1491 AromaticContact CD1-CZ2 3.52Å; Y1489-W1491 HydrophobicContact CD1-CZ2 3.52Å; Y1489-W1491 VanDerWaalsContact CD1-CZ2 3.4Å; Y1489-W1491 HydrophobicContact CD1-CZ3 4.38Å; Y1489-W1491 HydrophobicContact CE1-CD2 4.18Å; Y1489-W1491 AromaticContact CE1-CE2 3.38Å; Y1489-W1491 VanDerWaalsContact CE1-CE2 3.43Å; Y1489-W1491 HydrophobicContact CE1-CH2 4.26Å; Y1489-W1491 AromaticContact CE1-CZ2 3.43Å; Y1489-W1491 HydrophobicContact CE1-CZ2 3.43Å; Y1489-W1491 AromaticContact CE1-NE1 3.45Å; Y1489-W1491 VanDerWaalsContact CE1-NE1 3.3Å; Y1489-R1499 PolarHBondContact OH-NH1 3.04Å; Y1489-R1499 VanDerWaalsContact OH-NH1 3.09Å; Y1489-H1553 AromaticContact CD1-CD2 3.99Å; Y1489-H1553 AromaticContact CD2-CD2 3.5Å; Y1489-H1553 VanDerWaalsContact CD2-CD2 3.5Å; Y1489-H1553 WeakPolarHBondContact CD2-CD2 3.47Å; Y1489-H1553 AromaticContact CD2-NE2 3.59Å; Y1489-H1553 HydrophobicContact CE1-CB 4.34Å; Y1489-H1553 AromaticContact CE2-CD2 3.72Å; Y1489-H1553 AromaticContact CG-CD2 3.63Å; Y1489-H1553 AromaticContact CG-CE1 3.87Å; Y1489-H1553 AromaticContact CG-NE2 3.49Å; Y1489-Y1554 HydrophobicContact CD1-CD1 4.45Å; Y1489-Y1554 HydrophobicContact CD1-CD2 4.46Å; Y1489-Y1554 HydrophobicContact CD1-CE1 4.46Å; Y1489-Y1554 HydrophobicContact CD1-CE2 4.39Å; Y1489-Y1554 HydrophobicContact CD1-CG 4.47Å; Y1489-Y1554 HydrophobicContact CE1-CD2 4.1Å; Y1489-Y1554 HydrophobicContact CE1-CE2 4.38Å; Y1489-Y1554 HydrophobicContact CE1-CG 4.14Å
1490	N	81.6	Confident	78.4	Confident	40.2 Å²	40.2	50.6 Å²	50.6	22%	0.215	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.7	-178.1	60.1	88.3	0	0	0	112.4	I1474 I1475 Y1476 P1485 V1488 R1492	I1474-N1490 HydrophobicContact CG2-CB 4.03Å; I1475-N1490 CarbonylContact O-C 3.52Å; I1475-N1490 WeakPolarHBondContact O-CA 3.38Å; I1475-N1490 VanDerWaalsContact O-CB 3.32Å; I1475-N1490 WeakPolarHBondContact O-CB 3.4Å; Y1476-N1490 HydrophobicContact CD1-CB 3.6Å; Y1476-N1490 HydrophobicContact CE1-CB 3.84Å; Y1476-N1490 HydrophobicContact CG-CB 4.31Å; P1485-N1490 PolarHBondContact O-ND2 3.07Å; V1488-N1490 PolarHBondContact O-N 3.22Å; V1488-N1490 PolarHBondContact O-ND2 3.03Å; V1488-N1490 VanDerWaalsContact O-ND2 3.1Å; N1490-R1492 PolarHBondContact OD1-NE 3.12Å
1491	W	83.7	Confident	78.7	Confident	8.2 Å²	8.2	49.2 Å²	49.2	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.8	174.3	-57.4	-91.5	0	0	0	109.1	I1474 I1475 D1477 Y1489 D1496 L1502 L1509 H1553 Y1554	I1474-W1491 CarbonylContact C-O 3.51Å; I1474-W1491 VanDerWaalsContact CA-O 3.3Å; I1474-W1491 WeakPolarHBondContact CA-O 3.36Å; I1475-W1491 HydrophobicContact CB-CE3 4.11Å; I1475-W1491 HydrophobicContact CG2-CE3 3.94Å; I1475-W1491 HydrophobicContact CG2-CZ3 4.24Å; I1475-W1491 PolarHBondContact N-O 3.08Å; I1475-W1491 PolarHBondContact O-N 2.94Å; D1477-W1491 HydrophobicContact CB-CH2 3.86Å; D1477-W1491 HydrophobicContact CB-CZ3 3.79Å; Y1489-W1491 HydrophobicContact CD1-CD2 4.27Å; Y1489-W1491 AromaticContact CD1-CE2 3.73Å; Y1489-W1491 HydrophobicContact CD1-CE3 4.48Å; Y1489-W1491 AromaticContact CD1-CH2 3.84Å; Y1489-W1491 HydrophobicContact CD1-CH2 3.88Å; Y1489-W1491 AromaticContact CD1-CZ2 3.52Å; Y1489-W1491 HydrophobicContact CD1-CZ2 3.52Å; Y1489-W1491 VanDerWaalsContact CD1-CZ2 3.4Å; Y1489-W1491 HydrophobicContact CD1-CZ3 4.38Å; Y1489-W1491 HydrophobicContact CE1-CD2 4.18Å; Y1489-W1491 AromaticContact CE1-CE2 3.38Å; Y1489-W1491 VanDerWaalsContact CE1-CE2 3.43Å; Y1489-W1491 HydrophobicContact CE1-CH2 4.26Å; Y1489-W1491 AromaticContact CE1-CZ2 3.43Å; Y1489-W1491 HydrophobicContact CE1-CZ2 3.43Å; Y1489-W1491 AromaticContact CE1-NE1 3.45Å; Y1489-W1491 VanDerWaalsContact CE1-NE1 3.3Å; W1491-D1496 WeakPolarHBondContact CA-OD2 3.29Å; W1491-D1496 HydrophobicContact CB-CB 4.18Å; W1491-L1502 HydrophobicContact CB-CD1 3.99Å; W1491-L1502 VanDerWaalsContact CD1-CD2 3.49Å; W1491-L1502 HydrophobicContact CD2-CD1 3.62Å; W1491-L1502 HydrophobicContact CD2-CD2 3.89Å; W1491-L1502 HydrophobicContact CD2-CG 4.32Å; W1491-L1502 HydrophobicContact CE3-CD1 3.79Å; W1491-L1502 HydrophobicContact CG-CD1 3.72Å; W1491-L1502 HydrophobicContact CG-CD2 3.84Å; W1491-L1502 HydrophobicContact CG-CG 4.44Å; W1491-L1502 HydrophobicContact CZ2-CD2 4.24Å; W1491-L1502 HydrophobicContact CZ3-CD1 4.42Å; W1491-L1502 VanDerWaalsContact NE1-CD2 3.35Å; W1491-L1509 HydrophobicContact CZ3-CD2 4.37Å; W1491-H1553 HydrophobicContact CZ2-CB 4.38Å; W1491-Y1554 AromaticContact CH2-CD1 3.89Å; W1491-Y1554 HydrophobicContact CH2-CD1 3.99Å; W1491-Y1554 HydrophobicContact CH2-CE1 4.33Å; W1491-Y1554 AromaticContact CZ2-CD1 3.75Å; W1491-Y1554 HydrophobicContact CZ2-CD1 3.75Å; W1491-Y1554 HydrophobicContact CZ2-CD2 4.46Å; W1491-Y1554 HydrophobicContact CZ2-CE1 4.41Å; W1491-Y1554 AromaticContact CZ2-CG 3.92Å; W1491-Y1554 HydrophobicContact CZ2-CG 4Å
1492	R	81.4	Confident	79	Confident	48.6 Å²	48.6	43.9 Å²	43.9	18%	0.183	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.7	-177.9	-58.7	-172.3	165.1	-161.8	8	110.9	A1431 G1434 E1472 L1473 I1474 N1490 K1495 D1496	A1431-R1492 PolarHBondContact O-NH2 3.06Å; G1434-R1492 VanDerWaalsContact C-NH2 3.34Å; G1434-R1492 PolarHBondContact O-NH2 3.21Å; E1472-R1492 VanDerWaalsContact CD-NH2 3.27Å; E1472-R1492 WeakPolarHBondContact OE1-CD 3.3Å; E1472-R1492 IonicContact OE1-CZ 2.74Å; E1472-R1492 IonicContact OE1-NE 3.78Å; E1472-R1492 IonicContact OE1-NH1 3.61Å; E1472-R1492 PolarHBondContact OE1-NH1 3.07Å; E1472-R1492 IonicContact OE1-NH2 2.81Å; E1472-R1492 PolarHBondContact OE1-NH2 3.02Å; E1472-R1492 IonicContact OE2-CZ 3.78Å; E1472-R1492 IonicContact OE2-NE 2.73Å; E1472-R1492 IonicContact OE2-NH2 3.95Å; E1472-R1492 PolarHBondContact OE2-NH2 2.77Å; L1473-R1492 CarbonylContact O-C 3.51Å; L1473-R1492 WeakPolarHBondContact O-CA 3.29Å; I1474-R1492 HydrophobicContact CG1-CG 4.19Å; I1474-R1492 HydrophobicContact CG2-CG 4.14Å; N1490-R1492 PolarHBondContact OD1-NE 3.12Å; R1492-K1495 HydrophobicContact CB-CB 4.47Å; R1492-K1495 CarbonylContact O-C 3.53Å; R1492-K1495 WeakPolarHBondContact O-CA 3.35Å; R1492-K1495 WeakPolarHBondContact O-CB 3.31Å; R1492-K1495 PolarHBondContact O-N 2.94Å; R1492-D1496 PolarHBondContact N-OD2 3.03Å; R1492-D1496 PolarHBondContact O-N 3.25Å
1493	I	81.3	Confident	79.7	Confident	1.8 Å²	1.8	36.9 Å²	36.9	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.4	174.4	-63.8	171.1	0	0	0	108.7	L1409 F1412 V1416 L1473 L1497 F1500 F1523 F1525	L1409-I1493 HydrophobicContact CD1-CD1 4.05Å; L1409-I1493 HydrophobicContact CD2-CD1 3.89Å; L1409-I1493 HydrophobicContact CD2-CG1 4.2Å; L1409-I1493 HydrophobicContact CD2-CG2 4.39Å; L1409-I1493 HydrophobicContact CG-CD1 4.47Å; F1412-I1493 HydrophobicContact CB-CG2 4.21Å; F1412-I1493 HydrophobicContact CG-CG2 4.49Å; V1416-I1493 WeakPolarHBondContact CG1-O 3.31Å; V1416-I1493 HydrophobicContact CG2-CG2 4.42Å; L1473-I1493 HydrophobicContact CB-CB 4.28Å; L1473-I1493 HydrophobicContact CB-CD1 4.3Å; L1473-I1493 HydrophobicContact CB-CG1 4.31Å; L1473-I1493 HydrophobicContact CD2-CD1 3.58Å; L1473-I1493 VanDerWaalsContact CD2-CD1 3.46Å; L1473-I1493 HydrophobicContact CD2-CG1 4.16Å; L1473-I1493 HydrophobicContact CG-CD1 4.32Å; L1473-I1493 PolarHBondContact N-O 2.82Å; L1473-I1493 PolarHBondContact O-N 2.92Å; I1493-L1497 HydrophobicContact CD1-CD2 3.76Å; I1493-L1497 HydrophobicContact CD1-CG 4.01Å; I1493-L1497 HydrophobicContact CG1-CD2 4.44Å; I1493-L1497 HydrophobicContact CG2-CD2 3.94Å; I1493-L1497 HydrophobicContact CG2-CG 4.28Å; I1493-F1500 HydrophobicContact CD1-CD2 4.19Å; I1493-F1500 HydrophobicContact CD1-CE1 4.44Å; I1493-F1500 HydrophobicContact CD1-CE2 3.65Å; I1493-F1500 HydrophobicContact CD1-CZ 3.63Å; I1493-F1500 VanDerWaalsContact CD1-CZ 3.48Å; I1493-F1500 HydrophobicContact CG1-CE2 3.85Å; I1493-F1500 HydrophobicContact CG1-CZ 4Å; I1493-F1523 HydrophobicContact CB-CE1 4.48Å; I1493-F1523 HydrophobicContact CD1-CE1 4.37Å; I1493-F1523 HydrophobicContact CG2-CE1 4.11Å; I1493-F1525 HydrophobicContact CD1-CE1 4.26Å
1494	P	70.9	Confident	80.1	Confident	29.6 Å²	29.6	35.2 Å²	35.2	19%	0.192	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.6	-1.3	13.5	36.1	-36.2	0	0	0	115.8	F1412 V1416 L1444 D1496 L1497	F1412-P1494 HydrophobicContact CD2-CB 4.49Å; V1416-P1494 HydrophobicContact CB-CG 4.14Å; V1416-P1494 HydrophobicContact CG1-CG 4.18Å; L1444-P1494 HydrophobicContact CD1-CB 3.86Å; L1444-P1494 HydrophobicContact CD1-CG 3.88Å; L1444-P1494 VanDerWaalsContact CD1-CG 3.44Å; L1444-P1494 HydrophobicContact CG-CG 4.21Å; P1494-D1496 VanDerWaalsContact C-N 3.34Å; P1494-D1496 PolarHBondContact O-N 3.05Å; P1494-L1497 HydrophobicContact CB-CD1 3.69Å; P1494-L1497 HydrophobicContact CB-CG 4.2Å; P1494-L1497 WeakPolarHBondContact O-CB 3.47Å; P1494-L1497 VanDerWaalsContact O-CD1 3.32Å; P1494-L1497 WeakPolarHBondContact O-CD1 3.34Å; P1494-L1497 VanDerWaalsContact O-CG 3.26Å; P1494-L1497 WeakPolarHBondContact O-CG 3.27Å; P1494-L1497 PolarHBondContact O-N 3.1Å; P1494-L1497 VanDerWaalsContact O-N 3.14Å
1495	K	72.4	Confident	80.3	Confident	78 Å²	78	35.2 Å²	35.2	34%	0.339	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-42.6	-173.2	-158.1	-175.8	179.1	-167.9	0	113.8	L1418 R1492 L1497 I1637 E1638 H1639	L1418-K1495 HydrophobicContact CD1-CD 4.42Å; L1418-K1495 VanDerWaalsContact CD1-CE 3.44Å; L1418-K1495 HydrophobicContact CD1-CG 4.13Å; L1418-K1495 HydrophobicContact CD2-CG 4.24Å; R1492-K1495 HydrophobicContact CB-CB 4.47Å; R1492-K1495 CarbonylContact O-C 3.53Å; R1492-K1495 WeakPolarHBondContact O-CA 3.35Å; R1492-K1495 WeakPolarHBondContact O-CB 3.31Å; R1492-K1495 PolarHBondContact O-N 2.94Å; K1495-L1497 PolarHBondContact O-N 3.35Å; K1495-I1637 HydrophobicContact CB-CG2 4.29Å; K1495-I1637 HydrophobicContact CD-CG2 4.28Å; K1495-I1637 HydrophobicContact CG-CG2 4.19Å; K1495-E1638 WeakPolarHBondContact CD-OE2 3.49Å; K1495-E1638 WeakPolarHBondContact CE-OE2 3.44Å; K1495-E1638 IonicContact NZ-OE1 3.34Å; K1495-E1638 PolarHBondContact NZ-OE1 3.48Å; K1495-E1638 IonicContact NZ-OE2 3.07Å; K1495-E1638 PolarHBondContact NZ-OE2 2.84Å; K1495-H1639 WeakPolarHBondContact CE-NE2 3.22Å; K1495-H1639 PolarHBondContact O-CE1 3.33Å
1496	D	78.3	Confident	80.8	Confident	10.2 Å²	10.2	36.4 Å²	36.4	6%	0.055	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	22.1	-175.3	-67.3	-66.1	0	0	0	113.1	W1491 R1492 P1494 I1498 R1499 H1639	W1491-D1496 WeakPolarHBondContact CA-OD2 3.29Å; W1491-D1496 HydrophobicContact CB-CB 4.18Å; R1492-D1496 PolarHBondContact N-OD2 3.03Å; R1492-D1496 PolarHBondContact O-N 3.25Å; P1494-D1496 VanDerWaalsContact C-N 3.34Å; P1494-D1496 PolarHBondContact O-N 3.05Å; D1496-I1498 VanDerWaalsContact C-N 3.26Å; D1496-I1498 PolarHBondContact O-N 3.12Å; D1496-I1498 VanDerWaalsContact O-N 3.14Å; D1496-R1499 HydrophobicContact CB-CG 4.48Å; D1496-R1499 WeakPolarHBondContact O-CB 3.38Å; D1496-R1499 PolarHBondContact O-N 3.17Å; D1496-R1499 VanDerWaalsContact O-N 3.08Å; D1496-R1499 IonicContact OD1-CZ 3.27Å; D1496-R1499 VanDerWaalsContact OD1-CZ 3.3Å; D1496-R1499 IonicContact OD1-NE 3.34Å; D1496-R1499 IonicContact OD1-NH1 2.8Å; D1496-R1499 PolarHBondContact OD1-NH1 3.03Å; D1496-R1499 IonicContact OD1-NH2 3.1Å; D1496-H1639 IonicContact OD1-CE1 3.37Å; D1496-H1639 PolarHBondContact OD1-CE1 3.06Å; D1496-H1639 IonicContact OD1-ND1 3.02Å; D1496-H1639 IonicContact OD1-NE2 3.15Å
1497	L	83.6	Confident	81.7	Confident	10.8 Å²	10.8	34.5 Å²	34.5	6%	0.057	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-52.5	-39.2	-177	-82.3	169.6	0	0	0	113.4	L1409 F1412 I1493 P1494 K1495 R1499 F1500 P1582 W1591 E1638	L1409-L1497 HydrophobicContact CD2-CD2 3.46Å; L1409-L1497 VanDerWaalsContact CD2-CD2 3.43Å; F1412-L1497 HydrophobicContact CB-CD2 4.5Å; F1412-L1497 HydrophobicContact CD1-CD2 3.82Å; F1412-L1497 HydrophobicContact CD2-CD1 4.36Å; F1412-L1497 HydrophobicContact CD2-CD2 4.34Å; F1412-L1497 HydrophobicContact CE1-CD1 4.2Å; F1412-L1497 HydrophobicContact CE1-CD2 3.91Å; F1412-L1497 HydrophobicContact CE2-CD1 3.86Å; F1412-L1497 HydrophobicContact CE2-CD2 4.39Å; F1412-L1497 HydrophobicContact CG-CD2 4.13Å; F1412-L1497 HydrophobicContact CZ-CD1 3.77Å; F1412-L1497 HydrophobicContact CZ-CD2 4.3Å; I1493-L1497 HydrophobicContact CD1-CD2 3.76Å; I1493-L1497 HydrophobicContact CD1-CG 4.01Å; I1493-L1497 HydrophobicContact CG1-CD2 4.44Å; I1493-L1497 HydrophobicContact CG2-CD2 3.94Å; I1493-L1497 HydrophobicContact CG2-CG 4.28Å; P1494-L1497 HydrophobicContact CB-CD1 3.69Å; P1494-L1497 HydrophobicContact CB-CG 4.2Å; P1494-L1497 WeakPolarHBondContact O-CB 3.47Å; P1494-L1497 VanDerWaalsContact O-CD1 3.32Å; P1494-L1497 WeakPolarHBondContact O-CD1 3.34Å; P1494-L1497 VanDerWaalsContact O-CG 3.26Å; P1494-L1497 WeakPolarHBondContact O-CG 3.27Å; P1494-L1497 PolarHBondContact O-N 3.1Å; P1494-L1497 VanDerWaalsContact O-N 3.14Å; K1495-L1497 PolarHBondContact O-N 3.35Å; L1497-R1499 PolarHBondContact O-N 3.02Å; L1497-R1499 VanDerWaalsContact O-N 3.13Å; L1497-F1500 WeakPolarHBondContact O-CD2 3.34Å; L1497-F1500 PolarHBondContact O-N 3.09Å; L1497-P1582 HydrophobicContact CD1-CB 3.77Å; L1497-P1582 HydrophobicContact CD1-CG 4.39Å; L1497-W1591 HydrophobicContact CD2-CZ3 4.05Å; L1497-E1638 WeakPolarHBondContact CD1-OE1 3.36Å
1498	I	84.6	Confident	82.4	Confident	5.2 Å²	5.2	29.9 Å²	29.9	3%	0.027	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-68.9	-14	-176.8	71.4	169.3	0	0	0	114.1	D1496 F1500 R1592 N1593 E1594 E1638 H1639 L1640	D1496-I1498 VanDerWaalsContact C-N 3.26Å; D1496-I1498 PolarHBondContact O-N 3.12Å; D1496-I1498 VanDerWaalsContact O-N 3.14Å; I1498-F1500 VanDerWaalsContact C-N 3.33Å; I1498-R1592 WeakPolarHBondContact CA-O 3.39Å; I1498-R1592 HydrophobicContact CG2-CB 4Å; I1498-N1593 CarbonylContact O-C 3.54Å; I1498-N1593 VanDerWaalsContact O-CA 3.28Å; I1498-N1593 WeakPolarHBondContact O-CA 3.38Å; I1498-E1594 HydrophobicContact CD1-CB 4.1Å; I1498-E1594 HydrophobicContact CD1-CG 4.22Å; I1498-E1594 HydrophobicContact CG1-CB 4.22Å; I1498-E1594 PolarHBondContact O-N 2.96Å; I1498-E1638 WeakPolarHBondContact CD1-O 3.46Å; I1498-H1639 HydrophobicContact CD1-CB 3.47Å; I1498-H1639 VanDerWaalsContact CD1-CB 3.47Å; I1498-H1639 WeakPolarHBondContact CD1-O 3.42Å; I1498-H1639 HydrophobicContact CG1-CB 4.26Å; I1498-L1640 VanDerWaalsContact CD1-O 3.3Å; I1498-L1640 WeakPolarHBondContact CD1-O 3.36Å
1499	R	84.3	Confident	83.1	Confident	38.8 Å²	38.8	28.7 Å²	28.7	15%	0.146	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-82.7	-15	-177.4	-69.7	-175.1	170.4	164.6	3.8	113.3	Y1489 D1496 L1497 P1501 L1502 R1730	Y1489-R1499 PolarHBondContact OH-NH1 3.04Å; Y1489-R1499 VanDerWaalsContact OH-NH1 3.09Å; D1496-R1499 HydrophobicContact CB-CG 4.48Å; D1496-R1499 WeakPolarHBondContact O-CB 3.38Å; D1496-R1499 PolarHBondContact O-N 3.17Å; D1496-R1499 VanDerWaalsContact O-N 3.08Å; D1496-R1499 IonicContact OD1-CZ 3.27Å; D1496-R1499 VanDerWaalsContact OD1-CZ 3.3Å; D1496-R1499 IonicContact OD1-NE 3.34Å; D1496-R1499 IonicContact OD1-NH1 2.8Å; D1496-R1499 PolarHBondContact OD1-NH1 3.03Å; D1496-R1499 IonicContact OD1-NH2 3.1Å; L1497-R1499 PolarHBondContact O-N 3.02Å; L1497-R1499 VanDerWaalsContact O-N 3.13Å; R1499-P1501 CarbonylContact O-C 3.51Å; R1499-L1502 HydrophobicContact CB-CD2 3.99Å; R1499-R1730 VanDerWaalsContact NH2-NH1 3.19Å
1500	F	87.6	Confident	83.6	Confident	5.8 Å²	5.8	23.9 Å²	23.9	3%	0.025	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-67.3	143.5	176.1	-74.7	-92.6	0	0	0	110.7	I1407 L1409 I1475 I1493 L1497 I1498 L1502 N1593	I1407-F1500 HydrophobicContact CG2-CD1 4.5Å; I1407-F1500 HydrophobicContact CG2-CE1 4.16Å; L1409-F1500 HydrophobicContact CB-CB 4.36Å; L1409-F1500 HydrophobicContact CB-CD1 3.59Å; L1409-F1500 HydrophobicContact CB-CD2 4.25Å; L1409-F1500 HydrophobicContact CB-CE1 3.89Å; L1409-F1500 HydrophobicContact CB-CE2 4.41Å; L1409-F1500 HydrophobicContact CB-CG 3.82Å; L1409-F1500 HydrophobicContact CB-CZ 4.37Å; L1409-F1500 HydrophobicContact CD2-CD2 4.33Å; L1409-F1500 HydrophobicContact CD2-CE2 4.3Å; I1475-F1500 HydrophobicContact CD1-CE1 3.95Å; I1475-F1500 HydrophobicContact CD1-CZ 3.75Å; I1493-F1500 HydrophobicContact CD1-CD2 4.19Å; I1493-F1500 HydrophobicContact CD1-CE1 4.44Å; I1493-F1500 HydrophobicContact CD1-CE2 3.65Å; I1493-F1500 HydrophobicContact CD1-CZ 3.63Å; I1493-F1500 VanDerWaalsContact CD1-CZ 3.48Å; I1493-F1500 HydrophobicContact CG1-CE2 3.85Å; I1493-F1500 HydrophobicContact CG1-CZ 4Å; L1497-F1500 WeakPolarHBondContact O-CD2 3.34Å; L1497-F1500 PolarHBondContact O-N 3.09Å; I1498-F1500 VanDerWaalsContact C-N 3.33Å; F1500-L1502 HydrophobicContact CD1-CD1 4.17Å; F1500-L1502 HydrophobicContact CD1-CG 3.8Å; F1500-L1502 HydrophobicContact CD2-CG 4.33Å; F1500-L1502 HydrophobicContact CE1-CD1 3.52Å; F1500-L1502 VanDerWaalsContact CE1-CD1 3.47Å; F1500-L1502 HydrophobicContact CE1-CG 3.7Å; F1500-L1502 HydrophobicContact CE2-CD1 4.19Å; F1500-L1502 HydrophobicContact CE2-CG 4.34Å; F1500-L1502 HydrophobicContact CG-CG 4.25Å; F1500-L1502 HydrophobicContact CZ-CD1 3.54Å; F1500-L1502 HydrophobicContact CZ-CG 4.04Å; F1500-N1593 PolarHBondContact O-ND2 2.85Å
1501	P	89.8	Confident	84.1	Confident	0.2 Å²	0.2	22 Å²	22	0%	0.001	11%	0.111	C	C	.	.	S	Bend	cis	-77.4	144.1	1.1	33.6	-38.4	0	0	0	112.8	P1272 W1297 I1406 I1407 D1408 R1499 L1556	P1272-P1501 HydrophobicContact CB-CB 4.34Å; P1272-P1501 HydrophobicContact CB-CG 3.71Å; P1272-P1501 HydrophobicContact CG-CB 4.1Å; P1272-P1501 HydrophobicContact CG-CG 3.97Å; W1297-P1501 HydrophobicContact CH2-CG 4.3Å; W1297-P1501 VanDerWaalsContact CZ2-CD 3.42Å; W1297-P1501 HydrophobicContact CZ2-CG 4.14Å; I1406-P1501 HydrophobicContact CG2-CB 4.38Å; I1407-P1501 CarbonylContact O-C 3.41Å; I1407-P1501 VanDerWaalsContact O-CA 3.25Å; I1407-P1501 WeakPolarHBondContact O-CA 3.34Å; I1407-P1501 WeakPolarHBondContact O-CB 3.46Å; D1408-P1501 HydrophobicContact CB-CB 4.08Å; R1499-P1501 CarbonylContact O-C 3.51Å; P1501-L1556 HydrophobicContact CG-CB 3.96Å; P1501-L1556 HydrophobicContact CG-CD1 3.87Å; P1501-L1556 HydrophobicContact CG-CG 4.28Å
1502	L	88.2	Confident	84.5	Confident	3.6 Å²	3.6	21.6 Å²	21.6	2%	0.019	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	141.3	179.6	-57.2	179.9	0	0	0	110.8	I1406 I1407 I1475 W1491 R1499 F1500	I1406-L1502 CarbonylContact C-O 3.53Å; I1406-L1502 VanDerWaalsContact CA-O 3.26Å; I1406-L1502 WeakPolarHBondContact CA-O 3.3Å; I1406-L1502 WeakPolarHBondContact CG2-O 3.17Å; I1407-L1502 HydrophobicContact CB-CB 4.5Å; I1407-L1502 PolarHBondContact N-O 3.13Å; I1407-L1502 PolarHBondContact O-N 2.9Å; I1475-L1502 HydrophobicContact CB-CD1 4.42Å; I1475-L1502 HydrophobicContact CD1-CD1 3.83Å; I1475-L1502 HydrophobicContact CG2-CD1 4.38Å; W1491-L1502 HydrophobicContact CB-CD1 3.99Å; W1491-L1502 VanDerWaalsContact CD1-CD2 3.49Å; W1491-L1502 HydrophobicContact CD2-CD1 3.62Å; W1491-L1502 HydrophobicContact CD2-CD2 3.89Å; W1491-L1502 HydrophobicContact CD2-CG 4.32Å; W1491-L1502 HydrophobicContact CE3-CD1 3.79Å; W1491-L1502 HydrophobicContact CG-CD1 3.72Å; W1491-L1502 HydrophobicContact CG-CD2 3.84Å; W1491-L1502 HydrophobicContact CG-CG 4.44Å; W1491-L1502 HydrophobicContact CZ2-CD2 4.24Å; W1491-L1502 HydrophobicContact CZ3-CD1 4.42Å; W1491-L1502 VanDerWaalsContact NE1-CD2 3.35Å; R1499-L1502 HydrophobicContact CB-CD2 3.99Å; F1500-L1502 HydrophobicContact CD1-CD1 4.17Å; F1500-L1502 HydrophobicContact CD1-CG 3.8Å; F1500-L1502 HydrophobicContact CD2-CG 4.33Å; F1500-L1502 HydrophobicContact CE1-CD1 3.52Å; F1500-L1502 VanDerWaalsContact CE1-CD1 3.47Å; F1500-L1502 HydrophobicContact CE1-CG 3.7Å; F1500-L1502 HydrophobicContact CE2-CD1 4.19Å; F1500-L1502 HydrophobicContact CE2-CG 4.34Å; F1500-L1502 HydrophobicContact CG-CG 4.25Å; F1500-L1502 HydrophobicContact CZ-CD1 3.54Å; F1500-L1502 HydrophobicContact CZ-CG 4.04Å
1503	I	86.1	Confident	84.9	Confident	11.8 Å²	11.8	19.3 Å²	19.3	6%	0.061	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126	171.1	-55.7	172.5	0	0	0	108.3	Q1404 I1405 I1406 H1553 Y1554 L1556	Q1404-I1503 HydrophobicContact CB-CG2 4.23Å; Q1404-I1503 HydrophobicContact CG-CG2 4.5Å; I1405-I1503 CarbonylContact O-C 3.58Å; I1405-I1503 WeakPolarHBondContact O-CA 3.24Å; I1406-I1503 HydrophobicContact CG1-CG1 4.23Å; I1406-I1503 HydrophobicContact CG1-CG2 4.46Å; I1406-I1503 HydrophobicContact CG2-CG1 4.4Å; I1503-H1553 WeakPolarHBondContact CD1-O 2.94Å; I1503-Y1554 HydrophobicContact CB-CD1 3.58Å; I1503-Y1554 HydrophobicContact CB-CE1 4.44Å; I1503-Y1554 HydrophobicContact CB-CG 4.07Å; I1503-Y1554 HydrophobicContact CG2-CD1 3.72Å; I1503-Y1554 HydrophobicContact CG2-CE1 4.11Å; I1503-Y1554 PolarHBondContact N-O 3.11Å; I1503-Y1554 WeakPolarHBondContact O-CB 3.36Å; I1503-Y1554 WeakPolarHBondContact O-CD1 3.3Å; I1503-Y1554 VanDerWaalsContact O-CD2 3.24Å; I1503-Y1554 WeakPolarHBondContact O-CD2 3.43Å; I1503-L1556 HydrophobicContact CD1-CD1 4.32Å; I1503-L1556 HydrophobicContact CD1-CD2 3.92Å; I1503-L1556 HydrophobicContact CD1-CG 3.78Å; I1503-L1556 HydrophobicContact CG1-CD1 4.42Å; I1503-L1556 HydrophobicContact CG1-CG 4.33Å
1504	S	86.7	Confident	85.2	Confident	1.6 Å²	1.6	20.5 Å²	20.5	1%	0.011	11%	0.105	C	C	.	.			trans	-73.1	146.3	174.6	80.7	0	0	0	0	112.2	Q1404 I1405 D1477 T1506 L1509	Q1404-S1504 PolarHBondContact NE2-O 3.27Å; I1405-S1504 WeakPolarHBondContact CA-OG 3.35Å; I1405-S1504 WeakPolarHBondContact CB-OG 3.43Å; I1405-S1504 PolarHBondContact N-OG 3Å; I1405-S1504 WeakPolarHBondContact O-CB 3.47Å; I1405-S1504 PolarHBondContact O-N 3.19Å; I1405-S1504 PolarHBondContact O-OG 2.92Å; D1477-S1504 VanDerWaalsContact OD1-CA 3.3Å; D1477-S1504 WeakPolarHBondContact OD1-CA 3.25Å; D1477-S1504 WeakPolarHBondContact OD1-CB 3.35Å; D1477-S1504 PolarHBondContact OD1-OG 3.3Å; S1504-T1506 VanDerWaalsContact C-N 3.32Å; S1504-T1506 VanDerWaalsContact CB-O 3.3Å; S1504-T1506 WeakPolarHBondContact CB-O 3.35Å; S1504-T1506 PolarHBondContact OG-N 2.77Å; S1504-T1506 PolarHBondContact OG-O 3.01Å; S1504-L1509 VanDerWaalsContact CB-CD2 3.46Å; S1504-L1509 VanDerWaalsContact OG-CD2 3.28Å; S1504-L1509 WeakPolarHBondContact OG-CD2 3.4Å
1505	S	80	Confident	85.9	Confident	52.8 Å²	52.8	19.1 Å²	19.1	37%	0.369	10%	0.096	S	C	.	.	S	Bend	trans	-77	-22.8	170.7	61.6	0	0	0	0	112.8	D1477 Y1554	D1477-S1505 VanDerWaalsContact CG-OG 3.24Å; D1477-S1505 PolarHBondContact OD1-N 3.02Å; D1477-S1505 PolarHBondContact OD1-OG 3.17Å; D1477-S1505 VanDerWaalsContact OD2-CB 3.29Å; D1477-S1505 WeakPolarHBondContact OD2-CB 3.36Å; D1477-S1505 PolarHBondContact OD2-N 3.15Å; D1477-S1505 VanDerWaalsContact OD2-N 3.14Å; D1477-S1505 PolarHBondContact OD2-OG 3Å; S1505-Y1554 WeakPolarHBondContact CA-OH 3.43Å; S1505-Y1554 WeakPolarHBondContact CB-OH 3.33Å
1506	T	80.3	Confident	86.3	Confident	53.2 Å²	53.2	17.3 Å²	17.3	33%	0.326	9%	0.09	S	C	.	.	S	Bend	trans	-123.1	175.8	-178.3	78.2	0	0	0	0	112.1	H1403 S1504 K1508	H1403-T1506 CarbonylContact O-C 3.54Å; S1504-T1506 VanDerWaalsContact C-N 3.32Å; S1504-T1506 VanDerWaalsContact CB-O 3.3Å; S1504-T1506 WeakPolarHBondContact CB-O 3.35Å; S1504-T1506 PolarHBondContact OG-N 2.77Å; S1504-T1506 PolarHBondContact OG-O 3.01Å; T1506-K1508 PolarHBondContact O-N 3.02Å; T1506-K1508 VanDerWaalsContact O-N 3.13Å; T1506-K1508 PolarHBondContact OG1-N 3.01Å; T1506-K1508 VanDerWaalsContact OG1-N 3.1Å; T1506-K1508 PolarHBondContact OG1-O 3.07Å; T1506-K1508 VanDerWaalsContact OG1-O 3.11Å
1507	N	85.2	Confident	86.4	Confident	39.8 Å²	39.8	17.2 Å²	17.2	21%	0.213	9%	0.092	C	C	.	.	S	Bend	trans	-78.6	12.5	172.5	67.3	-29.5	0	0	0	113.7	I1396 D1398 H1401 H1403	I1396-N1507 HydrophobicContact CB-CB 4.43Å; I1396-N1507 HydrophobicContact CD1-CB 4.25Å; I1396-N1507 PolarHBondContact N-O 3.14Å; I1396-N1507 VanDerWaalsContact N-O 3.15Å; I1396-N1507 PolarHBondContact O-ND2 2.97Å; I1396-N1507 VanDerWaalsContact O-ND2 3.15Å; D1398-N1507 PolarHBondContact O-ND2 3.06Å; H1401-N1507 PolarHBondContact ND1-ND2 3.42Å; H1401-N1507 PolarHBondContact ND1-OD1 2.73Å; H1403-N1507 HydrophobicContact CB-CB 4.43Å; H1403-N1507 VanDerWaalsContact O-CA 3.23Å; H1403-N1507 WeakPolarHBondContact O-CA 3.27Å; H1403-N1507 WeakPolarHBondContact O-CB 3.31Å; H1403-N1507 PolarHBondContact O-N 2.87Å
1508	K	88.2	Confident	86.3	Confident	60.6 Å²	60.6	19.5 Å²	19.5	26%	0.263	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.2	-178.5	-63.4	-175.2	171.9	-143.6	0	111.4	E1393 L1394 T1506	E1393-K1508 WeakPolarHBondContact OE1-CD 3.38Å; E1393-K1508 WeakPolarHBondContact OE1-CE 3.3Å; E1393-K1508 IonicContact OE1-NZ 3.13Å; E1393-K1508 PolarHBondContact OE1-NZ 3.23Å; E1393-K1508 IonicContact OE2-NZ 3.85Å; L1394-K1508 VanDerWaalsContact O-CA 3.29Å; L1394-K1508 WeakPolarHBondContact O-CA 3.28Å; T1506-K1508 PolarHBondContact O-N 3.02Å; T1506-K1508 VanDerWaalsContact O-N 3.13Å; T1506-K1508 PolarHBondContact OG1-N 3.01Å; T1506-K1508 VanDerWaalsContact OG1-N 3.1Å; T1506-K1508 PolarHBondContact OG1-O 3.07Å; T1506-K1508 VanDerWaalsContact OG1-O 3.11Å
1509	L	90.6	Very high	86.3	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	147.5	173.6	-98.7	154.3	0	0	0	109.6	E1393 L1394 I1405 I1407 I1475 Y1476 D1477 S1478 W1491 S1504 M1511	E1393-L1509 CarbonylContact C-O 3.48Å; E1393-L1509 WeakPolarHBondContact CA-O 3.3Å; L1394-L1509 HydrophobicContact CB-CD1 4.45Å; L1394-L1509 HydrophobicContact CB-CG 4.19Å; L1394-L1509 HydrophobicContact CD1-CD1 4.04Å; L1394-L1509 HydrophobicContact CD1-CD2 4.3Å; L1394-L1509 HydrophobicContact CD1-CG 4.42Å; L1394-L1509 HydrophobicContact CG-CD1 4.22Å; L1394-L1509 HydrophobicContact CG-CG 4.5Å; L1394-L1509 PolarHBondContact N-O 3.19Å; L1394-L1509 PolarHBondContact O-N 2.94Å; L1394-L1509 VanDerWaalsContact O-N 3.09Å; I1405-L1509 HydrophobicContact CB-CD1 3.85Å; I1405-L1509 HydrophobicContact CB-CD2 3.7Å; I1405-L1509 HydrophobicContact CB-CG 4.35Å; I1405-L1509 HydrophobicContact CD1-CB 4.29Å; I1405-L1509 HydrophobicContact CD1-CD1 4.25Å; I1405-L1509 HydrophobicContact CD1-CD2 3.65Å; I1405-L1509 HydrophobicContact CD1-CG 4.17Å; I1405-L1509 HydrophobicContact CG1-CD2 4.26Å; I1405-L1509 HydrophobicContact CG2-CD1 3.71Å; I1405-L1509 HydrophobicContact CG2-CD2 3.51Å; I1407-L1509 HydrophobicContact CD1-CD1 3.58Å; I1407-L1509 VanDerWaalsContact CD1-CD1 3.41Å; I1407-L1509 HydrophobicContact CD1-CD2 3.47Å; I1407-L1509 HydrophobicContact CD1-CG 4.22Å; I1407-L1509 HydrophobicContact CG1-CD1 3.99Å; I1407-L1509 HydrophobicContact CG1-CD2 4.18Å; I1475-L1509 HydrophobicContact CG2-CD1 3.89Å; I1475-L1509 HydrophobicContact CG2-CD2 3.8Å; I1475-L1509 VanDerWaalsContact CG2-CD2 3.45Å; I1475-L1509 HydrophobicContact CG2-CG 3.7Å; Y1476-L1509 VanDerWaalsContact O-CD2 3.31Å; Y1476-L1509 WeakPolarHBondContact O-CD2 3.36Å; D1477-L1509 HydrophobicContact CB-CD2 4.43Å; S1478-L1509 CarbonylContact O-C 3.55Å; S1478-L1509 VanDerWaalsContact O-C 3.24Å; S1478-L1509 VanDerWaalsContact O-CA 3.31Å; S1478-L1509 WeakPolarHBondContact O-CA 3.38Å; W1491-L1509 HydrophobicContact CZ3-CD2 4.37Å; S1504-L1509 VanDerWaalsContact CB-CD2 3.46Å; S1504-L1509 VanDerWaalsContact OG-CD2 3.28Å; S1504-L1509 WeakPolarHBondContact OG-CD2 3.4Å; L1509-M1511 HydrophobicContact CD1-CG 3.39Å; L1509-M1511 HydrophobicContact CD1-SD 4.17Å; L1509-M1511 HydrophobicContact CD2-CG 3.6Å; L1509-M1511 HydrophobicContact CD2-SD 4.48Å
1510	I	91.1	Very high	86.2	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.3	171	-68.7	157.6	0	0	0	109	R1391 T1392 E1393 I1475 Y1476 S1478 G1479 F1480 F1483	R1391-I1510 HydrophobicContact CG-CG2 3.4Å; R1391-I1510 VanDerWaalsContact CG-CG2 3.44Å; T1392-I1510 CarbonylContact O-C 3.55Å; T1392-I1510 VanDerWaalsContact O-CA 3.3Å; T1392-I1510 WeakPolarHBondContact O-CA 3.34Å; E1393-I1510 HydrophobicContact CB-CG1 4.34Å; I1475-I1510 CarbonylContact C-O 3.56Å; I1475-I1510 WeakPolarHBondContact CA-O 3.3Å; Y1476-I1510 HydrophobicContact CD2-CB 4.37Å; Y1476-I1510 HydrophobicContact CD2-CG2 4.06Å; Y1476-I1510 PolarHBondContact N-O 3.05Å; Y1476-I1510 PolarHBondContact O-N 3.15Å; Y1476-I1510 VanDerWaalsContact O-N 3.09Å; S1478-I1510 WeakPolarHBondContact O-CD1 3.42Å; S1478-I1510 VanDerWaalsContact O-CG1 3.29Å; S1478-I1510 WeakPolarHBondContact O-CG1 3.33Å; S1478-I1510 PolarHBondContact O-N 3.1Å; S1478-I1510 VanDerWaalsContact O-N 3.12Å; G1479-I1510 VanDerWaalsContact C-CD1 3.47Å; G1479-I1510 WeakPolarHBondContact O-CD1 3.37Å; F1480-I1510 HydrophobicContact CD1-CD1 3.97Å; F1480-I1510 HydrophobicContact CD1-CG1 4.16Å; F1480-I1510 HydrophobicContact CE1-CD1 4.24Å; F1480-I1510 HydrophobicContact CE1-CG1 3.73Å; F1480-I1510 HydrophobicContact CE1-CG2 3.94Å; F1480-I1510 HydrophobicContact CG-CD1 4.36Å; F1483-I1510 HydrophobicContact CB-CD1 4.3Å; F1483-I1510 HydrophobicContact CD1-CD1 4.24Å; F1483-I1510 HydrophobicContact CD2-CD1 3.67Å; F1483-I1510 HydrophobicContact CE1-CD1 4.28Å; F1483-I1510 HydrophobicContact CE2-CD1 3.97Å; F1483-I1510 HydrophobicContact CG-CD1 3.81Å; F1483-I1510 HydrophobicContact CZ-CD1 4.31Å
1511	M	92.8	Very high	85.9	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.8	167.6	-59.8	-167.4	-43.4	0	0	109.7	L1338 F1339 R1391 T1392 L1394 I1407 L1473 I1475 L1509 F1525 I1527	L1338-M1511 HydrophobicContact CD1-CE 3.04Å; L1338-M1511 HydrophobicContact CD1-SD 4.04Å; L1338-M1511 HydrophobicContact CG-CE 4.49Å; F1339-M1511 HydrophobicContact CE1-CB 4.44Å; F1339-M1511 WeakPolarHBondContact CE1-O 3.4Å; F1339-M1511 HydrophobicContact CZ-CB 3.99Å; R1391-M1511 CarbonylContact C-O 3.56Å; R1391-M1511 WeakPolarHBondContact CA-O 3.34Å; T1392-M1511 PolarHBondContact N-O 3.07Å; T1392-M1511 PolarHBondContact O-N 3Å; L1394-M1511 HydrophobicContact CD1-CE 3.7Å; L1394-M1511 HydrophobicContact CD1-CG 4.12Å; L1394-M1511 HydrophobicContact CD1-SD 3.94Å; L1394-M1511 VanDerWaalsContact CD1-SD 3.57Å; L1394-M1511 HydrophobicContact CD2-CE 4.33Å; L1394-M1511 HydrophobicContact CG-CE 4.25Å; L1394-M1511 HydrophobicContact CG-SD 4.5Å; I1407-M1511 HydrophobicContact CD1-CG 4.41Å; I1407-M1511 HydrophobicContact CD1-SD 4.02Å; L1473-M1511 HydrophobicContact CD1-CB 4.49Å; L1473-M1511 HydrophobicContact CD1-CE 4.31Å; I1475-M1511 HydrophobicContact CD1-CE 4.45Å; I1475-M1511 HydrophobicContact CD1-SD 4.25Å; I1475-M1511 HydrophobicContact CG1-CG 4.24Å; I1475-M1511 HydrophobicContact CG1-SD 4.38Å; I1475-M1511 HydrophobicContact CG2-CG 4.47Å; L1509-M1511 HydrophobicContact CD1-CG 3.39Å; L1509-M1511 HydrophobicContact CD1-SD 4.17Å; L1509-M1511 HydrophobicContact CD2-CG 3.6Å; L1509-M1511 HydrophobicContact CD2-SD 4.48Å; M1511-F1525 HydrophobicContact CE-CD1 3.98Å; M1511-F1525 HydrophobicContact CE-CD2 4.08Å; M1511-F1525 HydrophobicContact CE-CE1 3.56Å; M1511-F1525 HydrophobicContact CE-CE2 3.7Å; M1511-F1525 HydrophobicContact CE-CG 4.22Å; M1511-F1525 HydrophobicContact CE-CZ 3.43Å; M1511-F1525 VanDerWaalsContact CE-CZ 3.43Å; M1511-I1527 HydrophobicContact CE-CD1 4.33Å
1512	E	91	Very high	85.5	Confident	0.2 Å²	0.2	21.9 Å²	21.9	0%	0.001	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.1	-179	-174.8	178.8	116.4	0	0	110.3	I1389 Y1390 R1391 L1473 I1474 Y1476 R1514	I1389-E1512 HydrophobicContact CG2-CG 3.55Å; Y1390-E1512 CarbonylContact O-C 3.47Å; Y1390-E1512 VanDerWaalsContact O-CA 3.25Å; Y1390-E1512 WeakPolarHBondContact O-CA 3.38Å; R1391-E1512 HydrophobicContact CB-CG 4.44Å; R1391-E1512 HydrophobicContact CG-CB 4.35Å; R1391-E1512 HydrophobicContact CG-CG 4.45Å; R1391-E1512 IonicContact CZ-OE2 3.56Å; R1391-E1512 IonicContact NE-OE2 3.15Å; R1391-E1512 PolarHBondContact NE-OE2 2.88Å; R1391-E1512 IonicContact NH2-OE2 3.63Å; R1391-E1512 PolarHBondContact NH2-OE2 3.22Å; L1473-E1512 CarbonylContact C-O 3.57Å; L1473-E1512 WeakPolarHBondContact CA-O 3.35Å; L1473-E1512 WeakPolarHBondContact CD1-O 3.13Å; I1474-E1512 HydrophobicContact CB-CB 4.4Å; I1474-E1512 PolarHBondContact N-O 2.9Å; I1474-E1512 PolarHBondContact O-N 2.99Å; Y1476-E1512 HydrophobicContact CD2-CB 4.47Å; Y1476-E1512 HydrophobicContact CE2-CB 3.94Å; Y1476-E1512 PolarHBondContact OH-OE1 2.78Å; E1512-R1514 HydrophobicContact CG-CG 4.4Å; E1512-R1514 IonicContact OE1-CZ 3.38Å; E1512-R1514 IonicContact OE1-NE 3.14Å; E1512-R1514 PolarHBondContact OE1-NE 3.16Å; E1512-R1514 IonicContact OE1-NH2 3.01Å; E1512-R1514 PolarHBondContact OE1-NH2 3.01Å
1513	L	90.2	Very high	85.5	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.2	173	177.5	67.1	0	0	0	109.7	F1339 V1379 Y1390 E1471 L1473 V1515 K1519 F1523	F1339-L1513 HydrophobicContact CB-CD2 4.21Å; F1339-L1513 HydrophobicContact CD1-CB 4.36Å; F1339-L1513 HydrophobicContact CD2-CB 3.76Å; F1339-L1513 HydrophobicContact CD2-CD2 3.5Å; F1339-L1513 VanDerWaalsContact CD2-CD2 3.47Å; F1339-L1513 HydrophobicContact CD2-CG 4.26Å; F1339-L1513 HydrophobicContact CE1-CB 4.2Å; F1339-L1513 HydrophobicContact CE2-CB 3.62Å; F1339-L1513 HydrophobicContact CE2-CD2 4.08Å; F1339-L1513 HydrophobicContact CE2-CG 4.43Å; F1339-L1513 HydrophobicContact CG-CB 4.12Å; F1339-L1513 HydrophobicContact CG-CD2 4.03Å; F1339-L1513 HydrophobicContact CZ-CB 3.83Å; V1379-L1513 HydrophobicContact CG1-CD2 4.06Å; Y1390-L1513 PolarHBondContact N-O 2.94Å; Y1390-L1513 PolarHBondContact O-N 3.13Å; E1471-L1513 HydrophobicContact CB-CD1 4.39Å; L1473-L1513 HydrophobicContact CB-CD1 4.47Å; L1473-L1513 HydrophobicContact CD1-CB 4.13Å; L1473-L1513 HydrophobicContact CD1-CD1 4.31Å; L1513-V1515 HydrophobicContact CD1-CG2 4.46Å; L1513-V1515 HydrophobicContact CD2-CG2 4.08Å; L1513-V1515 HydrophobicContact CG-CG2 3.92Å; L1513-K1519 HydrophobicContact CD2-CD 4.04Å; L1513-K1519 HydrophobicContact CD2-CG 4.44Å; L1513-F1523 HydrophobicContact CD1-CD2 4.04Å; L1513-F1523 HydrophobicContact CD1-CE2 3.61Å; L1513-F1523 HydrophobicContact CD1-CZ 4.34Å
1514	R	86.9	Confident	85.7	Confident	26.2 Å²	26.2	21.3 Å²	21.3	10%	0.099	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.9	174.8	-55.8	-179.8	177.6	-171.6	-9	109.3	T1388 I1389 P1419 T1420 A1431 I1433 E1471 E1472 I1474 E1512	T1388-R1514 WeakPolarHBondContact O-CA 3.44Å; I1389-R1514 HydrophobicContact CG1-CG 4.26Å; I1389-R1514 HydrophobicContact CG2-CG 4.29Å; P1419-R1514 HydrophobicContact CG-CB 4.01Å; T1420-R1514 VanDerWaalsContact CG2-NH1 3.26Å; A1431-R1514 PolarHBondContact O-NH2 2.89Å; I1433-R1514 PolarHBondContact O-NH1 2.93Å; I1433-R1514 VanDerWaalsContact O-NH1 3.12Å; I1433-R1514 PolarHBondContact O-NH2 2.91Å; E1471-R1514 CarbonylContact C-O 3.56Å; E1471-R1514 VanDerWaalsContact CA-O 3.22Å; E1471-R1514 WeakPolarHBondContact CA-O 3.38Å; E1472-R1514 HydrophobicContact CB-CB 4.45Å; E1472-R1514 HydrophobicContact CG-CB 3.91Å; E1472-R1514 HydrophobicContact CG-CG 4.15Å; E1472-R1514 PolarHBondContact N-O 3.07Å; E1472-R1514 PolarHBondContact O-N 2.88Å; E1472-R1514 VanDerWaalsContact OE1-CD 3.29Å; E1472-R1514 WeakPolarHBondContact OE1-CD 3.37Å; E1472-R1514 IonicContact OE1-CZ 3.63Å; E1472-R1514 IonicContact OE1-NE 3.46Å; E1472-R1514 IonicContact OE1-NH1 3.88Å; E1472-R1514 PolarHBondContact OE1-NH1 3.01Å; E1472-R1514 IonicContact OE2-NH1 3.75Å; I1474-R1514 VanDerWaalsContact CD1-CZ 3.48Å; E1512-R1514 HydrophobicContact CG-CG 4.4Å; E1512-R1514 IonicContact OE1-CZ 3.38Å; E1512-R1514 IonicContact OE1-NE 3.14Å; E1512-R1514 PolarHBondContact OE1-NE 3.16Å; E1512-R1514 IonicContact OE1-NH2 3.01Å; E1512-R1514 PolarHBondContact OE1-NH2 3.01Å
1515	V	85	Confident	85.9	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.8	-179.5	-175	0	0	0	0	109.6	W1360 E1386 K1387 T1388 Y1390 K1470 E1471 L1513 G1517 K1519	W1360-V1515 VanDerWaalsContact CZ3-O 3.24Å; W1360-V1515 WeakPolarHBondContact CZ3-O 3.36Å; E1386-V1515 HydrophobicContact CG-CB 4.29Å; E1386-V1515 HydrophobicContact CG-CG1 3.9Å; K1387-V1515 CarbonylContact C-O 3.54Å; K1387-V1515 VanDerWaalsContact CA-O 3.28Å; K1387-V1515 WeakPolarHBondContact CA-O 3.25Å; T1388-V1515 PolarHBondContact N-O 3.07Å; T1388-V1515 PolarHBondContact O-N 3.01Å; Y1390-V1515 HydrophobicContact CD2-CG2 4.44Å; Y1390-V1515 HydrophobicContact CE2-CG2 4.45Å; K1470-V1515 CarbonylContact O-C 3.57Å; K1470-V1515 WeakPolarHBondContact O-CA 3.39Å; E1471-V1515 HydrophobicContact CG-CB 4.48Å; E1471-V1515 HydrophobicContact CG-CG1 4.35Å; E1471-V1515 HydrophobicContact CG-CG2 4.32Å; L1513-V1515 HydrophobicContact CD1-CG2 4.46Å; L1513-V1515 HydrophobicContact CD2-CG2 4.08Å; L1513-V1515 HydrophobicContact CG-CG2 3.92Å; V1515-G1517 WeakPolarHBondContact CG1-O 3.38Å; V1515-K1519 HydrophobicContact CG1-CB 4.11Å; V1515-K1519 HydrophobicContact CG2-CB 4.34Å; V1515-K1519 HydrophobicContact CG2-CD 4.33Å; V1515-K1519 HydrophobicContact CG2-CG 4.24Å
1516	D	81.5	Confident	86.4	Confident	40.2 Å²	40.2	18.8 Å²	18.8	22%	0.215	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	93.5	166.4	174.1	32.5	0	0	0	107.6	W1360 E1386 K1387 P1419 K1470	W1360-D1516 HydrophobicContact CH2-CB 3.99Å; W1360-D1516 HydrophobicContact CZ2-CB 4.25Å; E1386-D1516 WeakPolarHBondContact O-CA 3.31Å; K1387-D1516 WeakPolarHBondContact CE-OD1 3.34Å; K1387-D1516 HydrophobicContact CG-CB 4.33Å; K1387-D1516 WeakPolarHBondContact CG-OD1 3.36Å; P1419-D1516 HydrophobicContact CB-CB 4.08Å; K1470-D1516 HydrophobicContact CB-CB 4.22Å; K1470-D1516 PolarHBondContact N-O 2.98Å; K1470-D1516 IonicContact NZ-OD2 3.21Å; K1470-D1516 PolarHBondContact NZ-OD2 3.09Å; K1470-D1516 PolarHBondContact O-N 3.07Å
1517	G	81.4	Confident	86.9	Confident	7.6 Å²	7.6	16.3 Å²	16.3	8%	0.078	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.1	-154.7	-172.7	0	0	0	0	0	113	M1385 E1386 V1515	M1385-G1517 VanDerWaalsContact SD-C 3.59Å; E1386-G1517 PolarHBondContact N-O 3.01Å; E1386-G1517 PolarHBondContact O-N 3.14Å; E1386-G1517 VanDerWaalsContact O-O 3.11Å; V1515-G1517 WeakPolarHBondContact CG1-O 3.38Å
1518	L	81	Confident	87	Confident	60.4 Å²	60.4	15.4 Å²	15.4	32%	0.316	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.8	175.9	-172.5	74.6	0	0	0	109.9	G1382 S1384 M1385 T1469 E1471 S1520	G1382-L1518 VanDerWaalsContact O-CD1 3.3Å; G1382-L1518 WeakPolarHBondContact O-CD1 3.38Å; S1384-L1518 WeakPolarHBondContact O-CD1 3.45Å; M1385-L1518 HydrophobicContact CE-CB 4.28Å; M1385-L1518 HydrophobicContact SD-CB 4.04Å; M1385-L1518 PolarHBondContact SD-N 3.24Å; M1385-L1518 VanDerWaalsContact SD-N 3.4Å; T1469-L1518 VanDerWaalsContact CB-O 3.28Å; T1469-L1518 WeakPolarHBondContact CB-O 3.37Å; T1469-L1518 HydrophobicContact CG2-CB 3.73Å; T1469-L1518 VanDerWaalsContact CG2-N 3.34Å; T1469-L1518 WeakPolarHBondContact CG2-O 3.41Å; E1471-L1518 VanDerWaalsContact OE1-O 3.04Å; L1518-S1520 PolarHBondContact O-N 3.27Å
1519	K	84.3	Confident	86.8	Confident	0.6 Å²	0.6	13.3 Å²	13.3	0%	0.003	7%	0.073	C	C	.	.			trans	-60.6	127.6	176.1	-177.1	168.8	62.9	-145.1	0	111.4	F1339 N1341 V1379 P1380 G1382 E1386 Y1390 E1471 L1513 V1515	F1339-K1519 VanDerWaalsContact O-CE 3.32Å; F1339-K1519 WeakPolarHBondContact O-CE 3.44Å; F1339-K1519 PolarHBondContact O-NZ 3.32Å; N1341-K1519 VanDerWaalsContact OD1-CE 3.3Å; N1341-K1519 WeakPolarHBondContact OD1-CE 3.32Å; N1341-K1519 PolarHBondContact OD1-NZ 3.34Å; V1379-K1519 HydrophobicContact CG1-CD 4Å; V1379-K1519 HydrophobicContact CG1-CG 4.34Å; P1380-K1519 WeakPolarHBondContact O-CE 3.33Å; G1382-K1519 PolarHBondContact N-O 2.96Å; E1386-K1519 WeakPolarHBondContact OE1-CB 3.35Å; E1386-K1519 WeakPolarHBondContact OE1-CE 3.34Å; E1386-K1519 IonicContact OE1-NZ 3.36Å; E1386-K1519 PolarHBondContact OE1-NZ 3.13Å; E1386-K1519 IonicContact OE2-NZ 3.23Å; Y1390-K1519 HydrophobicContact CE2-CD 4.31Å; Y1390-K1519 VanDerWaalsContact CZ-NZ 3.33Å; Y1390-K1519 PolarHBondContact OH-NZ 3.1Å; Y1390-K1519 VanDerWaalsContact OH-NZ 3.14Å; E1471-K1519 VanDerWaalsContact OE1-C 3.32Å; E1471-K1519 VanDerWaalsContact OE1-CA 3.23Å; E1471-K1519 WeakPolarHBondContact OE1-CA 3.35Å; E1471-K1519 WeakPolarHBondContact OE1-CG 3.19Å; L1513-K1519 HydrophobicContact CD2-CD 4.04Å; L1513-K1519 HydrophobicContact CD2-CG 4.44Å; V1515-K1519 HydrophobicContact CG1-CB 4.11Å; V1515-K1519 HydrophobicContact CG2-CB 4.34Å; V1515-K1519 HydrophobicContact CG2-CD 4.33Å; V1515-K1519 HydrophobicContact CG2-CG 4.24Å
1520	S	81.5	Confident	86.3	Confident	26.4 Å²	26.4	16.7 Å²	16.7	19%	0.185	9%	0.086	C	C	.	.			trans	-70.9	-35.1	-171.5	68.3	0	0	0	0	113.3	E1471 L1518 Q1522	E1471-S1520 WeakPolarHBondContact OE1-CB 3.19Å; E1471-S1520 PolarHBondContact OE1-N 3.21Å; E1471-S1520 PolarHBondContact OE1-OG 3.01Å; E1471-S1520 VanDerWaalsContact OE2-CB 3.26Å; E1471-S1520 WeakPolarHBondContact OE2-CB 3.33Å; E1471-S1520 PolarHBondContact OE2-N 3.35Å; E1471-S1520 PolarHBondContact OE2-OG 3.02Å; L1518-S1520 PolarHBondContact O-N 3.27Å; S1520-Q1522 PolarHBondContact O-N 3.17Å; S1520-Q1522 PolarHBondContact OG-N 3.18Å; S1520-Q1522 VanDerWaalsContact OG-N 3.14Å
1521	G	81.4	Confident	85.6	Confident	11 Å²	11	19.1 Å²	19.1	11%	0.113	10%	0.099	C	C	.	.			trans	67.1	17.4	-171	0	0	0	0	0	114.5	V1379	V1379-G1521 CarbonylContact O-C 3.49Å; V1379-G1521 WeakPolarHBondContact O-CA 3.39Å; V1379-G1521 VanDerWaalsContact O-O 3.1Å
1522	Q	82.4	Confident	84.6	Confident	62.2 Å²	62.2	21.7 Å²	21.7	29%	0.291	11%	0.112	S	C	.	.			trans	-93.4	0.5	-175	-67.1	-175.5	-35	0	0	114.1	E1411 F1412 P1413 S1520 L1524	E1411-Q1522 CarbonylContact C-O 3.54Å; E1411-Q1522 VanDerWaalsContact CB-O 3.27Å; E1411-Q1522 WeakPolarHBondContact CB-O 3.24Å; E1411-Q1522 VanDerWaalsContact CG-O 3.27Å; E1411-Q1522 WeakPolarHBondContact CG-O 3.38Å; F1412-Q1522 CarbonylContact C-O 3.59Å; F1412-Q1522 VanDerWaalsContact CA-O 3.28Å; F1412-Q1522 WeakPolarHBondContact CA-O 3.21Å; F1412-Q1522 PolarHBondContact N-O 3.09Å; P1413-Q1522 VanDerWaalsContact CA-OE1 3.23Å; P1413-Q1522 HydrophobicContact CB-CB 4.21Å; P1413-Q1522 VanDerWaalsContact CB-OE1 3.27Å; P1413-Q1522 HydrophobicContact CG-CB 4.47Å; S1520-Q1522 PolarHBondContact O-N 3.17Å; S1520-Q1522 PolarHBondContact OG-N 3.18Å; S1520-Q1522 VanDerWaalsContact OG-N 3.14Å; Q1522-L1524 PolarHBondContact O-N 3.35Å
1523	F	88.4	Confident	83.3	Confident	1.6 Å²	1.6	27.2 Å²	27.2	1%	0.007	14%	0.138	C	C	.	.			trans	-82	125.5	177.6	-77.1	-73.9	0	0	0	111.2	V1379 L1409 E1411 F1412 P1413 E1471 L1473 I1493 L1513 F1525	V1379-F1523 HydrophobicContact CB-CB 4.15Å; V1379-F1523 HydrophobicContact CG2-CB 3.67Å; V1379-F1523 PolarHBondContact N-O 3.07Å; L1409-F1523 HydrophobicContact CD1-CD1 4.25Å; E1411-F1523 WeakPolarHBondContact O-CA 3.39Å; F1412-F1523 HydrophobicContact CB-CD1 4.25Å; F1412-F1523 HydrophobicContact CB-CE1 3.98Å; P1413-F1523 VanDerWaalsContact CD-CE1 3.47Å; P1413-F1523 VanDerWaalsContact CD-CE2 3.49Å; P1413-F1523 HydrophobicContact CG-CD2 4.25Å; P1413-F1523 HydrophobicContact CG-CE1 4.4Å; P1413-F1523 HydrophobicContact CG-CE2 3.6Å; P1413-F1523 VanDerWaalsContact CG-CE2 3.41Å; P1413-F1523 HydrophobicContact CG-CZ 3.7Å; E1471-F1523 HydrophobicContact CB-CE2 4.3Å; L1473-F1523 HydrophobicContact CB-CE1 3.98Å; L1473-F1523 HydrophobicContact CB-CE2 4.46Å; L1473-F1523 HydrophobicContact CB-CZ 3.91Å; L1473-F1523 HydrophobicContact CD2-CD1 4.09Å; L1473-F1523 HydrophobicContact CD2-CE1 4.1Å; L1473-F1523 HydrophobicContact CD2-CG 4.47Å; L1473-F1523 HydrophobicContact CD2-CZ 4.38Å; I1493-F1523 HydrophobicContact CB-CE1 4.48Å; I1493-F1523 HydrophobicContact CD1-CE1 4.37Å; I1493-F1523 HydrophobicContact CG2-CE1 4.11Å; L1513-F1523 HydrophobicContact CD1-CD2 4.04Å; L1513-F1523 HydrophobicContact CD1-CE2 3.61Å; L1513-F1523 HydrophobicContact CD1-CZ 4.34Å; F1523-F1525 HydrophobicContact CB-CE2 3.77Å; F1523-F1525 HydrophobicContact CB-CZ 3.94Å; F1523-F1525 AromaticContact CD1-CZ 3.89Å; F1523-F1525 HydrophobicContact CD1-CZ 3.92Å; F1523-F1525 HydrophobicContact CG-CE2 4.46Å; F1523-F1525 HydrophobicContact CG-CZ 4.24Å
1524	L	89.5	Confident	81.4	Confident	1.8 Å²	1.8	31.6 Å²	31.6	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.2	177.5	-173.1	71	0	0	0	110	F1328 I1332 V1377 N1378 L1410 E1411 Q1522	F1328-L1524 HydrophobicContact CD1-CD2 3.92Å; F1328-L1524 HydrophobicContact CE1-CD2 3.61Å; F1328-L1524 VanDerWaalsContact CE1-CD2 3.46Å; F1328-L1524 HydrophobicContact CZ-CD2 4.41Å; I1332-L1524 HydrophobicContact CD1-CD1 3.87Å; I1332-L1524 HydrophobicContact CD1-CD2 3.77Å; I1332-L1524 HydrophobicContact CD1-CG 4.11Å; V1377-L1524 CarbonylContact O-C 3.51Å; V1377-L1524 WeakPolarHBondContact O-CA 3.25Å; V1377-L1524 VanDerWaalsContact O-CD1 3.26Å; V1377-L1524 WeakPolarHBondContact O-CD1 3.42Å; N1378-L1524 HydrophobicContact CB-CD1 4.09Å; L1410-L1524 HydrophobicContact CB-CB 4.34Å; L1410-L1524 HydrophobicContact CB-CD2 4.02Å; L1410-L1524 HydrophobicContact CB-CG 4.15Å; L1410-L1524 HydrophobicContact CD1-CD2 4.22Å; L1410-L1524 HydrophobicContact CD1-CG 4.37Å; L1410-L1524 PolarHBondContact N-O 3.2Å; E1411-L1524 HydrophobicContact CB-CB 3.74Å; E1411-L1524 HydrophobicContact CB-CD2 4.38Å; E1411-L1524 PolarHBondContact N-O 3.21Å; E1411-L1524 VanDerWaalsContact N-O 3.13Å; E1411-L1524 PolarHBondContact O-N 2.99Å; E1411-L1524 VanDerWaalsContact O-N 3.14Å; Q1522-L1524 PolarHBondContact O-N 3.35Å
1525	F	90.6	Very high	79.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.9	-179.6	-45.1	-97.6	0	0	0	111.3	F1376 V1377 V1379 I1407 D1408 L1409 L1473 I1493 M1511 F1523 I1527	F1376-F1525 CarbonylContact C-O 3.44Å; F1376-F1525 WeakPolarHBondContact CA-O 3.38Å; V1377-F1525 HydrophobicContact CB-CB 4.2Å; V1377-F1525 HydrophobicContact CB-CD2 4.22Å; V1377-F1525 HydrophobicContact CG1-CD2 4.23Å; V1377-F1525 PolarHBondContact N-O 3.03Å; V1377-F1525 PolarHBondContact O-N 3.25Å; V1379-F1525 HydrophobicContact CG2-CE2 4.43Å; I1407-F1525 HydrophobicContact CG2-CB 4.38Å; I1407-F1525 HydrophobicContact CG2-CD1 3.89Å; I1407-F1525 HydrophobicContact CG2-CG 4.45Å; D1408-F1525 CarbonylContact O-C 3.49Å; D1408-F1525 VanDerWaalsContact O-CA 3.28Å; D1408-F1525 WeakPolarHBondContact O-CA 3.29Å; D1408-F1525 WeakPolarHBondContact O-CB 3.49Å; L1409-F1525 HydrophobicContact CB-CD1 4.44Å; L1409-F1525 HydrophobicContact CD1-CD1 3.61Å; L1409-F1525 VanDerWaalsContact CD1-CD1 3.45Å; L1409-F1525 HydrophobicContact CD1-CE1 3.26Å; L1409-F1525 HydrophobicContact CD1-CG 4.44Å; L1409-F1525 HydrophobicContact CD1-CZ 3.95Å; L1409-F1525 HydrophobicContact CG-CE1 4.46Å; L1473-F1525 HydrophobicContact CD1-CZ 4.42Å; L1473-F1525 HydrophobicContact CD2-CE1 3.55Å; L1473-F1525 HydrophobicContact CD2-CE2 4.37Å; L1473-F1525 HydrophobicContact CD2-CZ 3.35Å; L1473-F1525 VanDerWaalsContact CD2-CZ 3.44Å; I1493-F1525 HydrophobicContact CD1-CE1 4.26Å; M1511-F1525 HydrophobicContact CE-CD1 3.98Å; M1511-F1525 HydrophobicContact CE-CD2 4.08Å; M1511-F1525 HydrophobicContact CE-CE1 3.56Å; M1511-F1525 HydrophobicContact CE-CE2 3.7Å; M1511-F1525 HydrophobicContact CE-CG 4.22Å; M1511-F1525 HydrophobicContact CE-CZ 3.43Å; M1511-F1525 VanDerWaalsContact CE-CZ 3.43Å; F1523-F1525 HydrophobicContact CB-CE2 3.77Å; F1523-F1525 HydrophobicContact CB-CZ 3.94Å; F1523-F1525 AromaticContact CD1-CZ 3.89Å; F1523-F1525 HydrophobicContact CD1-CZ 3.92Å; F1523-F1525 HydrophobicContact CG-CE2 4.46Å; F1523-F1525 HydrophobicContact CG-CZ 4.24Å; F1525-I1527 HydrophobicContact CB-CG1 4.42Å
1526	S	90.5	Very high	77.2	Confident	1.8 Å²	1.8	43.6 Å²	43.6	1%	0.013	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.4	158.1	105.7	0	0	0	0	108.8	Y1247 I1374 D1408	Y1247-S1526 WeakPolarHBondContact OH-CB 3.39Å; Y1247-S1526 PolarHBondContact OH-OG 3Å; Y1247-S1526 VanDerWaalsContact OH-OG 3.09Å; I1374-S1526 WeakPolarHBondContact CG2-OG 3.41Å; D1408-S1526 WeakPolarHBondContact CB-OG 3.38Å; D1408-S1526 PolarHBondContact N-O 2.97Å; D1408-S1526 PolarHBondContact O-N 3.17Å
1527	I	90.6	Very high	75	Confident	0.2 Å²	0.2	47.4 Å²	47.4	0%	0.001	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.3	177.5	-56.8	-171.8	0	0	0	108.7	L1369 I1375 V1377 L1394 I1405 I1406 I1407 M1511 F1525	L1369-I1527 HydrophobicContact CD1-CG2 3.81Å; L1369-I1527 HydrophobicContact CD2-CD1 4.46Å; L1369-I1527 HydrophobicContact CD2-CG2 4.34Å; I1375-I1527 HydrophobicContact CB-CB 4.32Å; I1375-I1527 PolarHBondContact N-O 3.04Å; I1375-I1527 PolarHBondContact O-N 3.26Å; V1377-I1527 HydrophobicContact CB-CD1 4.49Å; V1377-I1527 HydrophobicContact CG2-CB 4.49Å; V1377-I1527 HydrophobicContact CG2-CD1 3.58Å; V1377-I1527 HydrophobicContact CG2-CG1 3.84Å; L1394-I1527 HydrophobicContact CD1-CD1 3.54Å; I1405-I1527 HydrophobicContact CG2-CG2 3.67Å; I1405-I1527 VanDerWaalsContact CG2-CG2 3.48Å; I1406-I1527 CarbonylContact O-C 3.58Å; I1406-I1527 VanDerWaalsContact O-CA 3.3Å; I1406-I1527 WeakPolarHBondContact O-CA 3.31Å; I1407-I1527 HydrophobicContact CG1-CD1 4.38Å; I1407-I1527 HydrophobicContact CG1-CG1 4.33Å; M1511-I1527 HydrophobicContact CE-CD1 4.33Å; F1525-I1527 HydrophobicContact CB-CG1 4.42Å
1528	Q	87	Confident	72.7	Confident	21.6 Å²	21.6	54.3 Å²	54.3	10%	0.101	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.4	176	-135.7	177.5	14.7	0	0	110.4	Y1247 N1271 L1273 I1374 I1406	Y1247-Q1528 PolarHBondContact OH-NE2 3.08Å; Y1247-Q1528 VanDerWaalsContact OH-NE2 3.08Å; N1271-Q1528 VanDerWaalsContact CG-OE1 3.31Å; N1271-Q1528 VanDerWaalsContact ND2-CD 3.31Å; N1271-Q1528 PolarHBondContact ND2-NE2 2.86Å; N1271-Q1528 VanDerWaalsContact ND2-NE2 3.17Å; N1271-Q1528 PolarHBondContact ND2-OE1 3.03Å; N1271-Q1528 PolarHBondContact OD1-NE2 3.22Å; N1271-Q1528 PolarHBondContact OD1-OE1 2.96Å; N1271-Q1528 VanDerWaalsContact OD1-OE1 3.11Å; L1273-Q1528 HydrophobicContact CD1-CG 4.16Å; L1273-Q1528 VanDerWaalsContact CD1-OE1 3.22Å; I1374-Q1528 HydrophobicContact CB-CG 4.46Å; I1374-Q1528 HydrophobicContact CG1-CG 4.11Å; I1374-Q1528 HydrophobicContact CG2-CG 4.15Å; I1406-Q1528 HydrophobicContact CB-CB 4.4Å; I1406-Q1528 PolarHBondContact N-O 3.13Å; I1406-Q1528 PolarHBondContact O-N 3.04Å
1529	V	85.4	Confident	70.4	Confident	16.2 Å²	16.2	55.1 Å²	55.1	10%	0.098	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128	175.5	179	0	0	0	0	109.3	L1369 S1370 P1371 I1396 H1403 Q1404	L1369-V1529 HydrophobicContact CB-CG2 4.21Å; L1369-V1529 HydrophobicContact CD1-CG2 4.43Å; S1370-V1529 VanDerWaalsContact O-CG2 3.3Å; S1370-V1529 WeakPolarHBondContact O-CG2 3.34Å; P1371-V1529 WeakPolarHBondContact O-CB 3.5Å; I1396-V1529 HydrophobicContact CD1-CB 4.16Å; I1396-V1529 HydrophobicContact CD1-CG1 3.44Å; I1396-V1529 VanDerWaalsContact CD1-CG1 3.4Å; I1396-V1529 HydrophobicContact CD1-CG2 3.67Å; I1396-V1529 HydrophobicContact CG1-CG1 4.24Å; I1396-V1529 HydrophobicContact CG1-CG2 3.95Å; I1396-V1529 HydrophobicContact CG2-CG1 4.3Å; H1403-V1529 HydrophobicContact CB-CG1 3.99Å; H1403-V1529 VanDerWaalsContact CD2-CG1 3.41Å; H1403-V1529 WeakPolarHBondContact CD2-CG1 3.47Å; H1403-V1529 WeakPolarHBondContact ND1-CG1 3.44Å; Q1404-V1529 WeakPolarHBondContact O-CA 3.4Å
1530	R	78.8	Confident	67.8	Low	72.6 Å²	72.6	61.3 Å²	61.3	27%	0.274	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.2	176	-178.3	-178.2	177.1	-171.6	-3	110	L1273 H1403 Q1404 I1406 Q1535	L1273-R1530 HydrophobicContact CD1-CB 4.36Å; L1273-R1530 HydrophobicContact CD1-CG 4.43Å; H1403-R1530 CarbonylContact C-O 3.54Å; H1403-R1530 VanDerWaalsContact CA-O 3.3Å; H1403-R1530 WeakPolarHBondContact CA-O 3.32Å; Q1404-R1530 PolarHBondContact N-O 2.99Å; Q1404-R1530 PolarHBondContact O-N 3.03Å; I1406-R1530 HydrophobicContact CD1-CB 4.07Å; R1530-Q1535 VanDerWaalsContact NH2-CD 3.31Å
1531	N	77.7	Confident	65.5	Low	50.4 Å²	50.4	71.1 Å²	71.1	27%	0.27	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124	171.4	-173.2	-27.1	0	0	0	110.5	H1401 H1403 H1533 S1534	H1401-N1531 WeakPolarHBondContact CB-ND2 3.42Å; H1401-N1531 PolarHBondContact CD2-ND2 2.98Å; H1401-N1531 VanDerWaalsContact CD2-ND2 3.32Å; H1403-N1531 WeakPolarHBondContact ND1-CA 3.36Å; H1403-N1531 PolarHBondContact NE2-ND2 3.48Å; N1531-H1533 VanDerWaalsContact C-N 3.32Å; N1531-H1533 PolarHBondContact O-N 3.33Å; N1531-H1533 VanDerWaalsContact OD1-CB 3.31Å; N1531-H1533 WeakPolarHBondContact OD1-CB 3.21Å; N1531-H1533 PolarHBondContact OD1-N 3.12Å; N1531-S1534 PolarHBondContact O-OG 3.03Å; N1531-S1534 VanDerWaalsContact O-OG 3.09Å
1532	L	71.4	Confident	63	Low	55.2 Å²	55.2	74.1 Å²	74.1	29%	0.289	40%	0.403	S	S	.	.	S	Bend	trans	-77.4	-19.2	-179.4	-71.6	166.8	0	0	0	113.7	L1402 Q1404 S1534 Q1535	L1402-L1532 HydrophobicContact CB-CB 4.39Å; L1402-L1532 HydrophobicContact CB-CD1 4.18Å; L1402-L1532 HydrophobicContact CD2-CD1 3.66Å; L1402-L1532 HydrophobicContact CG-CD1 4.3Å; L1402-L1532 VanDerWaalsContact O-CB 3.28Å; L1402-L1532 WeakPolarHBondContact O-CB 3.3Å; L1402-L1532 VanDerWaalsContact O-CG 3.3Å; L1402-L1532 WeakPolarHBondContact O-CG 3.26Å; L1402-L1532 PolarHBondContact O-N 2.93Å; Q1404-L1532 HydrophobicContact CG-CD1 3.95Å; Q1404-L1532 HydrophobicContact CG-CD2 4.36Å; Q1404-L1532 HydrophobicContact CG-CG 4.28Å; L1532-S1534 VanDerWaalsContact C-N 3.31Å; L1532-S1534 PolarHBondContact O-N 3.15Å; L1532-Q1535 PolarHBondContact O-N 2.97Å
1533	H	62.7	Low	60.5	Low	116 Å²	116	80.8 Å²	80.8	54%	0.537	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-68.1	-23	-176.6	-125.2	63.9	0	0	0	113.2	L1402 N1531 Q1535 H1536	L1402-H1533 HydrophobicContact CD1-CB 4.45Å; N1531-H1533 VanDerWaalsContact C-N 3.32Å; N1531-H1533 PolarHBondContact O-N 3.33Å; N1531-H1533 VanDerWaalsContact OD1-CB 3.31Å; N1531-H1533 WeakPolarHBondContact OD1-CB 3.21Å; N1531-H1533 PolarHBondContact OD1-N 3.12Å; H1533-Q1535 VanDerWaalsContact C-N 3.35Å; H1533-Q1535 PolarHBondContact O-N 3.13Å; H1533-Q1535 VanDerWaalsContact O-N 3.12Å; H1533-H1536 PolarHBondContact O-N 3.17Å
1534	S	51.3	Low	57.6	Low	91.4 Å²	91.4	92.1 Å²	92.1	64%	0.639	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-70.6	-7	-178.1	68.4	0	0	0	0	115.1	N1531 L1532	N1531-S1534 PolarHBondContact O-OG 3.03Å; N1531-S1534 VanDerWaalsContact O-OG 3.09Å; L1532-S1534 VanDerWaalsContact C-N 3.31Å; L1532-S1534 PolarHBondContact O-N 3.15Å
1535	Q	46.4	Very low	54.8	Low	124 Å²	124	96.6 Å²	96.6	58%	0.579	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-101.8	-2.9	176.9	-72.5	-170.7	-43.9	0	0	113.9	R1530 L1532 H1533 T1537	R1530-Q1535 VanDerWaalsContact NH2-CD 3.31Å; L1532-Q1535 PolarHBondContact O-N 2.97Å; H1533-Q1535 VanDerWaalsContact C-N 3.35Å; H1533-Q1535 PolarHBondContact O-N 3.13Å; H1533-Q1535 VanDerWaalsContact O-N 3.12Å; Q1535-T1537 VanDerWaalsContact C-N 3.3Å; Q1535-T1537 PolarHBondContact O-N 2.85Å
1536	H	37.9	Very low	51.9	Low	154 Å²	154	104.3 Å²	104.3	71%	0.713	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-79.1	7.8	179	-97.2	-59.5	0	0	0	114.2	H1533 I1538	H1533-H1536 PolarHBondContact O-N 3.17Å; H1536-I1538 VanDerWaalsContact C-N 3.33Å; H1536-I1538 PolarHBondContact O-N 2.99Å; H1536-I1538 VanDerWaalsContact O-N 3.14Å
1537	T	33.8	Very low	49	Very low	119.6 Å²	119.6	114.2 Å²	114.2	73%	0.734	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-92.2	17.5	173.7	41.9	0	0	0	0	114.2	Q1535	Q1535-T1537 VanDerWaalsContact C-N 3.3Å; Q1535-T1537 PolarHBondContact O-N 2.85Å
1538	I	34.1	Very low	46.3	Very low	153.8 Å²	153.8	120.4 Å²	120.4	79%	0.789	61%	0.613	S	S	*	*	S	Bend	trans	-126	46.5	169.5	-48.8	176.5	0	0	0	113.4	H1536 T1540	H1536-I1538 VanDerWaalsContact C-N 3.33Å; H1536-I1538 PolarHBondContact O-N 2.99Å; H1536-I1538 VanDerWaalsContact O-N 3.14Å; I1538-T1540 VanDerWaalsContact C-N 3.28Å; I1538-T1540 PolarHBondContact O-N 3.04Å; I1538-T1540 VanDerWaalsContact O-N 3.16Å
1539	A	31.4	Very low	43.7	Very low	77.6 Å²	77.6	127.6 Å²	127.6	64%	0.641	65%	0.646	S	S	*	*			trans	-129	59.9	162.5	0	0	0	0	0	112.5	Y1541	A1539-Y1541 VanDerWaalsContact C-N 3.29Å; A1539-Y1541 HydrophobicContact CB-CD2 3.96Å; A1539-Y1541 HydrophobicContact CB-CE2 4.3Å; A1539-Y1541 PolarHBondContact O-N 3.14Å
1540	T	31.2	Very low	41.4	Very low	130.8 Å²	130.8	134.2 Å²	134.2	80%	0.802	68%	0.68	S	S	*	*			trans	-71.4	97.5	164	36.9	0	0	0	0	110.9	I1538 G1542	I1538-T1540 VanDerWaalsContact C-N 3.28Å; I1538-T1540 PolarHBondContact O-N 3.04Å; I1538-T1540 VanDerWaalsContact O-N 3.16Å; T1540-G1542 PolarHBondContact O-N 3.19Å
1541	Y	31.7	Very low	39.4	Very low	230.4 Å²	230.4	136.6 Å²	136.6	90%	0.904	70%	0.699	S	S	*	*	S	Bend	trans	2.3	90.2	164.3	-78.3	-86.8	0	0	0	114.2	A1539 K1543	A1539-Y1541 VanDerWaalsContact C-N 3.29Å; A1539-Y1541 HydrophobicContact CB-CD2 3.96Å; A1539-Y1541 HydrophobicContact CB-CE2 4.3Å; A1539-Y1541 PolarHBondContact O-N 3.14Å; Y1541-K1543 VanDerWaalsContact C-N 3.3Å; Y1541-K1543 PolarHBondContact O-N 2.85Å
1542	G	29.8	Very low	37.9	Very low	74.8 Å²	74.8	137.6 Å²	137.6	77%	0.771	71%	0.706	S	S	*	*			trans	-125	108.2	166.5	0	0	0	0	0	112.3	T1540 R1544	T1540-G1542 PolarHBondContact O-N 3.19Å; G1542-R1544 PolarHBondContact O-N 3.04Å
1543	K	30.4	Very low	37	Very low	203.2 Å²	203.2	140.1 Å²	140.1	88%	0.883	72%	0.716	S	S	*	*			trans	-56.9	112.4	162.3	-81.4	174.9	-180	179	0	112.1	Y1541 S1545	Y1541-K1543 VanDerWaalsContact C-N 3.3Å; Y1541-K1543 PolarHBondContact O-N 2.85Å; K1543-S1545 PolarHBondContact O-N 2.92Å
1544	R	27.9	Very low	36.8	Very low	238.2 Å²	238.2	138.5 Å²	138.5	90%	0.899	71%	0.706	S	S	*	*			trans	-57.9	97.2	166.2	-76.2	176.8	172.6	173.3	-3.4	109.5	G1542 H1546	G1542-R1544 PolarHBondContact O-N 3.04Å; R1544-H1546 PolarHBondContact O-N 2.88Å
1545	S	30.3	Very low	37.4	Very low	97.4 Å²	97.4	135.7 Å²	135.7	68%	0.681	69%	0.687	S	S	*	*			trans	-74.1	120.4	157.9	64.5	0	0	0	0	108	K1543 Y1547	K1543-S1545 PolarHBondContact O-N 2.92Å; S1545-Y1547 PolarHBondContact O-N 2.92Å; S1545-Y1547 VanDerWaalsContact O-N 3.07Å
1546	H	30.1	Very low	38.9	Very low	160.4 Å²	160.4	131.7 Å²	131.7	74%	0.743	67%	0.669	S	S	*	*			trans	-62.7	112.6	170.5	-88.8	-12.4	0	0	0	110.6	R1544 D1548	R1544-H1546 PolarHBondContact O-N 2.88Å; H1546-D1548 PolarHBondContact O-N 2.86Å
1547	Y	29.8	Very low	41	Very low	209.8 Å²	209.8	130.3 Å²	130.3	82%	0.823	66%	0.661	S	S	*	*	S	Bend	trans	115	79.3	168.7	-66.3	-78.2	0	0	0	112.1	S1545 H1549 L1550	S1545-Y1547 PolarHBondContact O-N 2.92Å; S1545-Y1547 VanDerWaalsContact O-N 3.07Å; Y1547-H1549 VanDerWaalsContact C-N 3.31Å; Y1547-H1549 PolarHBondContact O-N 2.86Å; Y1547-H1549 VanDerWaalsContact O-N 3.07Å; Y1547-L1550 HydrophobicContact CD1-CD1 3.77Å; Y1547-L1550 HydrophobicContact CE1-CD1 4.35Å
1548	D	32.4	Very low	43.6	Very low	131.8 Å²	131.8	124.7 Å²	124.7	71%	0.705	63%	0.626	S	S	*	*			trans	-142	21.6	151.7	-104	-17.5	0	0	0	111.5	H1546 L1550 N1551	H1546-D1548 PolarHBondContact O-N 2.86Å; D1548-L1550 PolarHBondContact O-N 2.96Å; D1548-N1551 PolarHBondContact O-N 3.36Å
1549	H	33.1	Very low	46.4	Very low	171.8 Å²	171.8	122.5 Å²	122.5	80%	0.795	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	19.1	175.5	-69.1	-52.3	0	0	0	113.7	Y1547 N1551	Y1547-H1549 VanDerWaalsContact C-N 3.31Å; Y1547-H1549 PolarHBondContact O-N 2.86Å; Y1547-H1549 VanDerWaalsContact O-N 3.07Å; H1549-N1551 PolarHBondContact O-N 2.9Å
1550	L	36.3	Very low	49.5	Very low	155.8 Å²	155.8	118.8 Å²	118.8	82%	0.816	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	4.7	-179.9	-88.2	137.5	0	0	0	113	Y1547 D1548 V1552	Y1547-L1550 HydrophobicContact CD1-CD1 3.77Å; Y1547-L1550 HydrophobicContact CE1-CD1 4.35Å; D1548-L1550 PolarHBondContact O-N 2.96Å; L1550-V1552 VanDerWaalsContact C-N 3.32Å; L1550-V1552 HydrophobicContact CB-CG2 4.12Å; L1550-V1552 PolarHBondContact O-N 3.11Å
1551	N	38.3	Very low	52.6	Low	122.8 Å²	122.8	114.2 Å²	114.2	66%	0.657	55%	0.548	S	S	*	.			trans	-94.9	71	173.2	-77.8	-24.2	0	0	0	109.6	D1548 H1549 H1553	D1548-N1551 PolarHBondContact O-N 3.36Å; H1549-N1551 PolarHBondContact O-N 2.9Å; N1551-H1553 VanDerWaalsContact C-N 3.3Å; N1551-H1553 PolarHBondContact O-N 3.06Å; N1551-H1553 VanDerWaalsContact O-N 3.14Å
1552	V	45.6	Very low	55.8	Low	69.8 Å²	69.8	103.2 Å²	103.2	42%	0.423	51%	0.505	S	S	.	.			trans	-67.3	58.7	171.1	-176.5	0	0	0	0	108.1	L1550 Y1554	L1550-V1552 VanDerWaalsContact C-N 3.32Å; L1550-V1552 HydrophobicContact CB-CG2 4.12Å; L1550-V1552 PolarHBondContact O-N 3.11Å; V1552-Y1554 VanDerWaalsContact C-N 3.29Å; V1552-Y1554 HydrophobicContact CB-CE2 4.36Å; V1552-Y1554 HydrophobicContact CG1-CD1 4.34Å; V1552-Y1554 HydrophobicContact CG1-CE1 3.94Å; V1552-Y1554 HydrophobicContact CG1-CE2 4.3Å; V1552-Y1554 WeakPolarHBondContact O-CD1 3.49Å; V1552-Y1554 VanDerWaalsContact O-CD2 3.28Å; V1552-Y1554 WeakPolarHBondContact O-CD2 3.36Å; V1552-Y1554 WeakPolarHBondContact O-CE1 3.47Å; V1552-Y1554 WeakPolarHBondContact O-CE2 3.12Å; V1552-Y1554 PolarHBondContact O-N 3.26Å; V1552-Y1554 VanDerWaalsContact O-N 3.07Å
1553	H	51.9	Low	59	Low	109.4 Å²	109.4	101.8 Å²	101.8	51%	0.506	48%	0.479	S	S	.	.			trans	-74.3	98.6	177	-72.2	-66.4	0	0	0	109.9	D1477 Y1489 W1491 I1503 N1551 S1555	D1477-H1553 IonicContact OD2-CE1 3.96Å; D1477-H1553 PolarHBondContact OD2-CE1 3.44Å; D1477-H1553 IonicContact OD2-ND1 3.95Å; D1477-H1553 PolarHBondContact OD2-ND1 2.97Å; Y1489-H1553 AromaticContact CD1-CD2 3.99Å; Y1489-H1553 AromaticContact CD2-CD2 3.5Å; Y1489-H1553 VanDerWaalsContact CD2-CD2 3.5Å; Y1489-H1553 WeakPolarHBondContact CD2-CD2 3.47Å; Y1489-H1553 AromaticContact CD2-NE2 3.59Å; Y1489-H1553 HydrophobicContact CE1-CB 4.34Å; Y1489-H1553 AromaticContact CE2-CD2 3.72Å; Y1489-H1553 AromaticContact CG-CD2 3.63Å; Y1489-H1553 AromaticContact CG-CE1 3.87Å; Y1489-H1553 AromaticContact CG-NE2 3.49Å; W1491-H1553 HydrophobicContact CZ2-CB 4.38Å; I1503-H1553 WeakPolarHBondContact CD1-O 2.94Å; N1551-H1553 VanDerWaalsContact C-N 3.3Å; N1551-H1553 PolarHBondContact O-N 3.06Å; N1551-H1553 VanDerWaalsContact O-N 3.14Å; H1553-S1555 PolarHBondContact O-N 2.84Å
1554	Y	59.4	Low	62.3	Low	82 Å²	82	95.1 Å²	95.1	32%	0.322	45%	0.453	S	S	.	.			trans	-61	27.5	170.5	-63.8	-73.2	0	0	0	114.9	D1477 Y1489 W1491 I1503 S1505 V1552	D1477-Y1554 VanDerWaalsContact OD2-CE1 3.31Å; D1477-Y1554 WeakPolarHBondContact OD2-CE1 3.29Å; Y1489-Y1554 HydrophobicContact CD1-CD1 4.45Å; Y1489-Y1554 HydrophobicContact CD1-CD2 4.46Å; Y1489-Y1554 HydrophobicContact CD1-CE1 4.46Å; Y1489-Y1554 HydrophobicContact CD1-CE2 4.39Å; Y1489-Y1554 HydrophobicContact CD1-CG 4.47Å; Y1489-Y1554 HydrophobicContact CE1-CD2 4.1Å; Y1489-Y1554 HydrophobicContact CE1-CE2 4.38Å; Y1489-Y1554 HydrophobicContact CE1-CG 4.14Å; W1491-Y1554 AromaticContact CH2-CD1 3.89Å; W1491-Y1554 HydrophobicContact CH2-CD1 3.99Å; W1491-Y1554 HydrophobicContact CH2-CE1 4.33Å; W1491-Y1554 AromaticContact CZ2-CD1 3.75Å; W1491-Y1554 HydrophobicContact CZ2-CD1 3.75Å; W1491-Y1554 HydrophobicContact CZ2-CD2 4.46Å; W1491-Y1554 HydrophobicContact CZ2-CE1 4.41Å; W1491-Y1554 AromaticContact CZ2-CG 3.92Å; W1491-Y1554 HydrophobicContact CZ2-CG 4Å; I1503-Y1554 HydrophobicContact CB-CD1 3.58Å; I1503-Y1554 HydrophobicContact CB-CE1 4.44Å; I1503-Y1554 HydrophobicContact CB-CG 4.07Å; I1503-Y1554 HydrophobicContact CG2-CD1 3.72Å; I1503-Y1554 HydrophobicContact CG2-CE1 4.11Å; I1503-Y1554 PolarHBondContact N-O 3.11Å; I1503-Y1554 WeakPolarHBondContact O-CB 3.36Å; I1503-Y1554 WeakPolarHBondContact O-CD1 3.3Å; I1503-Y1554 VanDerWaalsContact O-CD2 3.24Å; I1503-Y1554 WeakPolarHBondContact O-CD2 3.43Å; S1505-Y1554 WeakPolarHBondContact CA-OH 3.43Å; S1505-Y1554 WeakPolarHBondContact CB-OH 3.33Å; V1552-Y1554 VanDerWaalsContact C-N 3.29Å; V1552-Y1554 HydrophobicContact CB-CE2 4.36Å; V1552-Y1554 HydrophobicContact CG1-CD1 4.34Å; V1552-Y1554 HydrophobicContact CG1-CE1 3.94Å; V1552-Y1554 HydrophobicContact CG1-CE2 4.3Å; V1552-Y1554 WeakPolarHBondContact O-CD1 3.49Å; V1552-Y1554 VanDerWaalsContact O-CD2 3.28Å; V1552-Y1554 WeakPolarHBondContact O-CD2 3.36Å; V1552-Y1554 WeakPolarHBondContact O-CE1 3.47Å; V1552-Y1554 WeakPolarHBondContact O-CE2 3.12Å; V1552-Y1554 PolarHBondContact O-N 3.26Å; V1552-Y1554 VanDerWaalsContact O-N 3.07Å
1555	S	63.9	Low	65.6	Low	33.2 Å²	33.2	83.8 Å²	83.8	23%	0.232	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-126.2	135.3	168.9	76.5	0	0	0	0	110.5	H1553 K1557 E1594	H1553-S1555 PolarHBondContact O-N 2.84Å; S1555-K1557 PolarHBondContact O-N 2.89Å; S1555-E1594 PolarHBondContact OG-OE2 2.9Å
1556	L	77.4	Confident	68.8	Low	38.4 Å²	38.4	84.5 Å²	84.5	20%	0.201	40%	0.398	C	S	.	.			trans	-77.4	130.9	169.1	-68.9	165.7	0	0	0	108.4	P1272 L1273 I1406 P1501 I1503 P1558	P1272-L1556 HydrophobicContact CB-CD1 3.89Å; P1272-L1556 HydrophobicContact CG-CD1 4.26Å; L1273-L1556 HydrophobicContact CD2-CD1 3.88Å; L1273-L1556 HydrophobicContact CD2-CD2 4.17Å; L1273-L1556 HydrophobicContact CG-CD1 4.32Å; I1406-L1556 HydrophobicContact CG2-CD1 4.36Å; P1501-L1556 HydrophobicContact CG-CB 3.96Å; P1501-L1556 HydrophobicContact CG-CD1 3.87Å; P1501-L1556 HydrophobicContact CG-CG 4.28Å; I1503-L1556 HydrophobicContact CD1-CD1 4.32Å; I1503-L1556 HydrophobicContact CD1-CD2 3.92Å; I1503-L1556 HydrophobicContact CD1-CG 3.78Å; I1503-L1556 HydrophobicContact CG1-CD1 4.42Å; I1503-L1556 HydrophobicContact CG1-CG 4.33Å; L1556-P1558 VanDerWaalsContact O-CD 3.31Å; L1556-P1558 WeakPolarHBondContact O-CD 3.37Å
1557	K	82.3	Confident	72	Confident	125.8 Å²	125.8	76.8 Å²	76.8	55%	0.547	36%	0.362	S	S	.	.			trans	-88.6	109.7	175.7	-62.7	-173.6	180	-174.2	0	109.6	S1555 K1559 H1595	S1555-K1557 PolarHBondContact O-N 2.89Å; K1557-K1559 PolarHBondContact O-N 3.23Å; K1557-H1595 HydrophobicContact CD-CB 4.22Å; K1557-H1595 HydrophobicContact CG-CB 4.27Å
1558	P	89.2	Confident	75.2	Confident	2.2 Å²	2.2	68.2 Å²	68.2	1%	0.014	33%	0.33	C	S	.	.			trans	-55.4	138.8	174.8	-10.5	8.4	0	0	0	113.2	P1296 W1297 L1556 N1593 H1595 E1596 T1597	P1296-P1558 HydrophobicContact CB-CB 3.66Å; P1296-P1558 HydrophobicContact CB-CG 4.4Å; P1296-P1558 HydrophobicContact CG-CB 3.59Å; P1296-P1558 HydrophobicContact CG-CG 4.04Å; W1297-P1558 HydrophobicContact CD2-CB 4.15Å; W1297-P1558 HydrophobicContact CG-CB 4.29Å; W1297-P1558 HydrophobicContact CZ2-CB 4.23Å; W1297-P1558 HydrophobicContact CZ2-CG 4.25Å; L1556-P1558 VanDerWaalsContact O-CD 3.31Å; L1556-P1558 WeakPolarHBondContact O-CD 3.37Å; P1558-N1593 HydrophobicContact CG-CB 3.81Å; P1558-N1593 VanDerWaalsContact CG-CG 3.44Å; P1558-N1593 WeakPolarHBondContact CG-OD1 3.44Å; P1558-H1595 VanDerWaalsContact CD-O 3.26Å; P1558-H1595 WeakPolarHBondContact CD-O 3.35Å; P1558-H1595 VanDerWaalsContact CG-O 3.26Å; P1558-H1595 WeakPolarHBondContact CG-O 3.23Å; P1558-E1596 HydrophobicContact CB-CG 4.38Å; P1558-E1596 HydrophobicContact CG-CG 4.23Å; P1558-T1597 PolarHBondContact O-N 2.97Å; P1558-T1597 VanDerWaalsContact O-N 3.12Å
1559	K	91.4	Very high	78.1	Confident	106.8 Å²	106.8	65.2 Å²	65.2	46%	0.464	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	109.7	177	179.8	177.5	171.2	173	0	109.8	P1296 F1298 K1557 Y1561 T1597 I1599	P1296-K1559 CarbonylContact O-C 3.57Å; P1296-K1559 VanDerWaalsContact O-O 3.05Å; F1298-K1559 PolarHBondContact N-O 3.22Å; K1557-K1559 PolarHBondContact O-N 3.23Å; K1559-Y1561 VanDerWaalsContact CE-CD2 3.4Å; K1559-T1597 WeakPolarHBondContact CA-O 3.17Å; K1559-I1599 HydrophobicContact CD-CD1 4.08Å; K1559-I1599 VanDerWaalsContact CE-CD1 3.46Å; K1559-I1599 HydrophobicContact CG-CD1 4.3Å
1560	F	96.6	Very high	81	Confident	0.6 Å²	0.6	57 Å²	57	0%	0.003	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.9	170.5	-173.3	-78.7	0	0	0	108.5	T1293 P1296 F1298 L1314 Y1316 V1562 L1576 T1597 F1598 I1599 F1600	T1293-F1560 HydrophobicContact CG2-CE2 3.63Å; T1293-F1560 HydrophobicContact CG2-CZ 4.32Å; P1296-F1560 WeakPolarHBondContact O-CA 3.36Å; P1296-F1560 PolarHBondContact O-N 3.09Å; F1298-F1560 HydrophobicContact CB-CD2 3.97Å; F1298-F1560 HydrophobicContact CB-CE2 4.28Å; F1298-F1560 HydrophobicContact CD1-CD1 4.37Å; F1298-F1560 AromaticContact CD1-CD2 3.76Å; F1298-F1560 HydrophobicContact CD1-CD2 3.76Å; F1298-F1560 AromaticContact CD1-CE1 3.99Å; F1298-F1560 HydrophobicContact CD1-CE1 4.1Å; F1298-F1560 AromaticContact CD1-CE2 3.46Å; F1298-F1560 HydrophobicContact CD1-CE2 3.46Å; F1298-F1560 VanDerWaalsContact CD1-CE2 3.44Å; F1298-F1560 HydrophobicContact CD1-CG 4.21Å; F1298-F1560 AromaticContact CD1-CZ 3.64Å; F1298-F1560 HydrophobicContact CD1-CZ 3.64Å; F1298-F1560 HydrophobicContact CE1-CE1 4.27Å; F1298-F1560 AromaticContact CE1-CE2 3.98Å; F1298-F1560 HydrophobicContact CE1-CE2 3.99Å; F1298-F1560 AromaticContact CE1-CZ 3.76Å; F1298-F1560 HydrophobicContact CE1-CZ 3.76Å; F1298-F1560 HydrophobicContact CG-CD2 4.19Å; F1298-F1560 AromaticContact CG-CE2 3.98Å; F1298-F1560 HydrophobicContact CG-CE2 4.03Å; F1298-F1560 HydrophobicContact CG-CZ 4.49Å; F1298-F1560 CarbonylContact O-C 3.58Å; F1298-F1560 WeakPolarHBondContact O-CA 3.46Å; L1314-F1560 HydrophobicContact CD1-CZ 4.32Å; L1314-F1560 HydrophobicContact CD2-CE1 4.11Å; L1314-F1560 HydrophobicContact CD2-CZ 3.97Å; L1314-F1560 HydrophobicContact CG-CZ 4.32Å; Y1316-F1560 HydrophobicContact CD2-CD2 4.37Å; Y1316-F1560 HydrophobicContact CD2-CE2 4.22Å; Y1316-F1560 HydrophobicContact CG-CE2 4.38Å; F1560-V1562 HydrophobicContact CD1-CG2 4.09Å; F1560-V1562 HydrophobicContact CE1-CG2 3.52Å; F1560-V1562 VanDerWaalsContact CE1-CG2 3.5Å; F1560-V1562 HydrophobicContact CZ-CG2 4.4Å; F1560-L1576 HydrophobicContact CZ-CD2 4.44Å; F1560-T1597 PolarHBondContact N-O 2.98Å; F1560-F1598 HydrophobicContact CB-CD1 3.48Å; F1560-F1598 VanDerWaalsContact CB-CD1 3.47Å; F1560-F1598 HydrophobicContact CB-CE1 3.68Å; F1560-F1598 HydrophobicContact CB-CG 4.1Å; F1560-F1598 HydrophobicContact CB-CZ 4.42Å; F1560-F1598 AromaticContact CD1-CD1 3.65Å; F1560-F1598 HydrophobicContact CD1-CD1 3.65Å; F1560-F1598 HydrophobicContact CD1-CE1 4.2Å; F1560-F1598 HydrophobicContact CD2-CD1 4.2Å; F1560-F1598 AromaticContact CD2-CE1 3.88Å; F1560-F1598 HydrophobicContact CD2-CE1 3.91Å; F1560-F1598 HydrophobicContact CE1-CD1 4.4Å; F1560-F1598 HydrophobicContact CE2-CE1 4.43Å; F1560-F1598 AromaticContact CG-CD1 3.52Å; F1560-F1598 HydrophobicContact CG-CD1 3.52Å; F1560-F1598 AromaticContact CG-CE1 3.68Å; F1560-F1598 HydrophobicContact CG-CE1 3.68Å; F1560-F1598 CarbonylContact O-C 3.58Å; F1560-F1598 WeakPolarHBondContact O-CA 3.26Å; F1560-I1599 PolarHBondContact O-N 3.08Å; F1560-F1600 HydrophobicContact CD1-CZ 4.34Å; F1560-F1600 HydrophobicContact CE1-CE1 4.36Å; F1560-F1600 AromaticContact CE1-CZ 3.91Å; F1560-F1600 HydrophobicContact CE1-CZ 3.93Å
1561	Y	97.5	Very high	83.5	Confident	33 Å²	33	50.5 Å²	50.5	13%	0.129	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.6	-170.4	-174	-112.9	0	0	0	111.8	F1298 S1299 L1300 I1301 K1559 E1563 I1599 E1601	F1298-Y1561 PolarHBondContact O-N 3.11Å; S1299-Y1561 CarbonylContact C-O 3.49Å; S1299-Y1561 VanDerWaalsContact CA-O 3.25Å; S1299-Y1561 WeakPolarHBondContact CA-O 3.32Å; L1300-Y1561 PolarHBondContact N-O 3.2Å; I1301-Y1561 HydrophobicContact CD1-CD1 4.36Å; I1301-Y1561 HydrophobicContact CD1-CE1 4.21Å; I1301-Y1561 HydrophobicContact CG1-CD1 4.45Å; I1301-Y1561 HydrophobicContact CG1-CE1 4.44Å; K1559-Y1561 VanDerWaalsContact CE-CD2 3.4Å; Y1561-E1563 HydrophobicContact CD1-CB 4.47Å; Y1561-E1563 HydrophobicContact CE1-CB 3.7Å; Y1561-E1563 HydrophobicContact CE1-CG 4.28Å; Y1561-E1563 WeakPolarHBondContact CE1-OE2 3.48Å; Y1561-E1563 VanDerWaalsContact OH-CD 3.3Å; Y1561-E1563 WeakPolarHBondContact OH-CG 3.42Å; Y1561-E1563 PolarHBondContact OH-OE2 3.01Å; Y1561-E1563 VanDerWaalsContact OH-OE2 3.11Å; Y1561-I1599 CarbonylContact C-O 3.55Å; Y1561-I1599 WeakPolarHBondContact CA-O 3.4Å; Y1561-I1599 HydrophobicContact CD2-CB 3.83Å; Y1561-I1599 HydrophobicContact CD2-CD1 4.45Å; Y1561-I1599 HydrophobicContact CD2-CG2 3.66Å; Y1561-I1599 HydrophobicContact CE2-CB 4.39Å; Y1561-I1599 HydrophobicContact CE2-CG2 3.7Å; Y1561-E1601 HydrophobicContact CE2-CG 4.29Å; Y1561-E1601 WeakPolarHBondContact CE2-OE2 3.38Å; Y1561-E1601 PolarHBondContact OH-OE2 3.04Å
1562	V	98.3	Very high	86.1	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.1	175.3	-175	0	0	0	0	109.2	F1298 L1300 L1314 F1560 T1565 I1599 F1600 E1601 V1603	F1298-V1562 HydrophobicContact CE1-CG2 4.47Å; L1300-V1562 HydrophobicContact CB-CG1 4.39Å; L1300-V1562 HydrophobicContact CB-CG2 4.33Å; L1300-V1562 HydrophobicContact CD2-CG1 4.24Å; L1300-V1562 CarbonylContact O-C 3.52Å; L1300-V1562 WeakPolarHBondContact O-CA 3.31Å; L1314-V1562 HydrophobicContact CD2-CG2 3.82Å; F1560-V1562 HydrophobicContact CD1-CG2 4.09Å; F1560-V1562 HydrophobicContact CE1-CG2 3.52Å; F1560-V1562 VanDerWaalsContact CE1-CG2 3.5Å; F1560-V1562 HydrophobicContact CZ-CG2 4.4Å; V1562-T1565 HydrophobicContact CG1-CG2 4.22Å; V1562-I1599 PolarHBondContact N-O 2.9Å; V1562-F1600 HydrophobicContact CB-CD1 3.73Å; V1562-F1600 HydrophobicContact CB-CE1 4Å; V1562-F1600 HydrophobicContact CB-CG 4.48Å; V1562-F1600 HydrophobicContact CG1-CD1 4.25Å; V1562-F1600 HydrophobicContact CG1-CE1 4.49Å; V1562-F1600 HydrophobicContact CG2-CD1 3.99Å; V1562-F1600 HydrophobicContact CG2-CE1 3.71Å; V1562-F1600 HydrophobicContact CG2-CZ 4.4Å; V1562-F1600 CarbonylContact O-C 3.53Å; V1562-F1600 WeakPolarHBondContact O-CA 3.24Å; V1562-E1601 PolarHBondContact O-N 3.01Å; V1562-V1603 HydrophobicContact CB-CG2 4.34Å; V1562-V1603 HydrophobicContact CG1-CG2 3.82Å
1563	E	98.1	Very high	88.4	Confident	46.4 Å²	46.4	41.6 Å²	41.6	22%	0.217	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.6	-175.1	-160.2	-161.3	153.6	0	0	111.5	L1300 I1301 N1302 Y1561 T1565 E1601	L1300-E1563 PolarHBondContact O-N 2.84Å; I1301-E1563 WeakPolarHBondContact CA-O 3.35Å; I1301-E1563 HydrophobicContact CB-CB 4.5Å; I1301-E1563 HydrophobicContact CG1-CB 4.24Å; I1301-E1563 HydrophobicContact CG2-CB 4.39Å; N1302-E1563 PolarHBondContact N-O 2.98Å; N1302-E1563 VanDerWaalsContact N-O 3.1Å; Y1561-E1563 HydrophobicContact CD1-CB 4.47Å; Y1561-E1563 HydrophobicContact CE1-CB 3.7Å; Y1561-E1563 HydrophobicContact CE1-CG 4.28Å; Y1561-E1563 WeakPolarHBondContact CE1-OE2 3.48Å; Y1561-E1563 VanDerWaalsContact OH-CD 3.3Å; Y1561-E1563 WeakPolarHBondContact OH-CG 3.42Å; Y1561-E1563 PolarHBondContact OH-OE2 3.01Å; Y1561-E1563 VanDerWaalsContact OH-OE2 3.11Å; E1563-T1565 PolarHBondContact O-N 3.04Å; E1563-T1565 PolarHBondContact O-OG1 3Å; E1563-E1601 CarbonylContact C-O 3.45Å; E1563-E1601 VanDerWaalsContact CA-O 3.25Å; E1563-E1601 WeakPolarHBondContact CA-O 3.35Å; E1563-E1601 HydrophobicContact CG-CB 4.23Å
1564	N	98.2	Very high	90.6	Very high	61.6 Å²	61.6	36.4 Å²	36.4	33%	0.329	17%	0.168	S	C	.	.	S	Bend	trans	49.1	36.5	170.4	-57.1	-39.2	0	0	0	113.5	N1302 E1601 N1602	N1302-N1564 VanDerWaalsContact CA-O 3.32Å; N1302-N1564 WeakPolarHBondContact CA-O 3.33Å; N1302-N1564 VanDerWaalsContact OD1-CB 3.26Å; N1302-N1564 WeakPolarHBondContact OD1-CB 3.27Å; N1302-N1564 PolarHBondContact OD1-ND2 3.03Å; N1564-E1601 PolarHBondContact N-O 3.1Å; N1564-N1602 WeakPolarHBondContact CA-O 3.32Å; N1564-N1602 WeakPolarHBondContact OD1-CB 3.27Å; N1564-N1602 PolarHBondContact OD1-ND2 3.05Å; N1564-N1602 VanDerWaalsContact OD1-ND2 3.12Å
1565	T	98.3	Very high	92.3	Very high	1.2 Å²	1.2	33.6 Å²	33.6	1%	0.007	16%	0.157	C	C	.	.			trans	-111	142.5	-170.9	-69.9	0	0	0	0	110.8	L1300 C1303 V1562 E1563 L1567 V1603 Q1604	L1300-T1565 HydrophobicContact CD2-CG2 3.93Å; L1300-T1565 HydrophobicContact CG-CG2 4.41Å; C1303-T1565 HydrophobicContact CB-CG2 4.09Å; C1303-T1565 PolarHBondContact N-OG1 3.05Å; C1303-T1565 CarbonylContact O-C 3.53Å; C1303-T1565 VanDerWaalsContact O-CA 3.29Å; C1303-T1565 WeakPolarHBondContact O-CA 3.35Å; C1303-T1565 WeakPolarHBondContact O-CG2 3.29Å; V1562-T1565 HydrophobicContact CG1-CG2 4.22Å; E1563-T1565 PolarHBondContact O-N 3.04Å; E1563-T1565 PolarHBondContact O-OG1 3Å; T1565-L1567 HydrophobicContact CG2-CD1 4.34Å; T1565-L1567 HydrophobicContact CG2-CG 4.44Å; T1565-V1603 WeakPolarHBondContact O-CA 3.32Å; T1565-V1603 WeakPolarHBondContact O-CG1 3.26Å; T1565-Q1604 PolarHBondContact O-N 2.96Å
1566	R	97.9	Very high	93.8	Very high	111.4 Å²	111.4	32 Å²	32	42%	0.42	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.2	179.1	-100.1	-175.9	178.3	131.2	3	111.2	C1303 Q1304 I1305 E1568 Q1604	C1303-R1566 PolarHBondContact O-N 3.05Å; Q1304-R1566 WeakPolarHBondContact CA-O 3.24Å; Q1304-R1566 HydrophobicContact CG-CB 4.49Å; I1305-R1566 PolarHBondContact N-O 2.97Å; R1566-E1568 HydrophobicContact CB-CG 4.34Å; R1566-E1568 HydrophobicContact CG-CB 4.34Å; R1566-E1568 HydrophobicContact CG-CG 3.69Å; R1566-E1568 IonicContact CZ-OE1 2.95Å; R1566-E1568 IonicContact CZ-OE2 3.37Å; R1566-E1568 IonicContact NE-OE1 3.34Å; R1566-E1568 PolarHBondContact NE-OE1 3.15Å; R1566-E1568 IonicContact NE-OE2 2.96Å; R1566-E1568 PolarHBondContact NE-OE2 2.86Å; R1566-E1568 IonicContact NH1-OE1 3.05Å; R1566-E1568 IonicContact NH2-OE1 3.21Å; R1566-E1568 PolarHBondContact NH2-OE1 3.22Å; R1566-E1568 VanDerWaalsContact NH2-OE1 3.12Å; R1566-E1568 IonicContact NH2-OE2 3.24Å; R1566-E1568 PolarHBondContact NH2-OE2 3.14Å; R1566-Q1604 CarbonylContact C-O 3.56Å; R1566-Q1604 WeakPolarHBondContact CA-O 3.29Å; R1566-Q1604 HydrophobicContact CG-CB 4.32Å
1567	L	97.4	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	97.8	179.2	-67.8	138.3	0	0	0	108.8	I1305 L1314 T1565 G1573 V1574 V1603 Q1604 I1605 R1606 N1608	I1305-L1567 HydrophobicContact CB-CD2 4.02Å; I1305-L1567 HydrophobicContact CD1-CD2 4.05Å; I1305-L1567 HydrophobicContact CG1-CD2 4.39Å; I1305-L1567 HydrophobicContact CG2-CD2 4.47Å; I1305-L1567 VanDerWaalsContact O-CA 3.31Å; I1305-L1567 WeakPolarHBondContact O-CA 3.33Å; L1314-L1567 HydrophobicContact CB-CD2 3.8Å; T1565-L1567 HydrophobicContact CG2-CD1 4.34Å; T1565-L1567 HydrophobicContact CG2-CG 4.44Å; L1567-G1573 WeakPolarHBondContact CD2-O 3.36Å; L1567-V1574 HydrophobicContact CD1-CG2 3.62Å; L1567-V1574 VanDerWaalsContact CD1-CG2 3.45Å; L1567-V1574 HydrophobicContact CD2-CG2 4.23Å; L1567-V1603 HydrophobicContact CD1-CG1 3.7Å; L1567-Q1604 PolarHBondContact N-O 3.17Å; L1567-I1605 HydrophobicContact CB-CG1 4.37Å; L1567-I1605 HydrophobicContact CD1-CD1 4.41Å; L1567-I1605 HydrophobicContact CD1-CG1 4.04Å; L1567-I1605 WeakPolarHBondContact O-CA 3.26Å; L1567-R1606 PolarHBondContact O-N 2.96Å; L1567-N1608 PolarHBondContact O-ND2 2.91Å
1568	E	95.5	Very high	95	Very high	28.2 Å²	28.2	26.4 Å²	26.4	13%	0.132	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.6	-168.8	-66.8	-174	158.7	0	0	114.8	I1305 T1306 K1307 R1566 N1570 R1606 N1607	I1305-E1568 PolarHBondContact O-N 2.96Å; T1306-E1568 WeakPolarHBondContact CA-O 3.24Å; T1306-E1568 VanDerWaalsContact CB-O 3.32Å; T1306-E1568 WeakPolarHBondContact CB-O 3.45Å; T1306-E1568 HydrophobicContact CG2-CB 4.01Å; K1307-E1568 PolarHBondContact N-O 3.02Å; K1307-E1568 VanDerWaalsContact N-O 3.12Å; R1566-E1568 HydrophobicContact CB-CG 4.34Å; R1566-E1568 HydrophobicContact CG-CB 4.34Å; R1566-E1568 HydrophobicContact CG-CG 3.69Å; R1566-E1568 IonicContact CZ-OE1 2.95Å; R1566-E1568 IonicContact CZ-OE2 3.37Å; R1566-E1568 IonicContact NE-OE1 3.34Å; R1566-E1568 PolarHBondContact NE-OE1 3.15Å; R1566-E1568 IonicContact NE-OE2 2.96Å; R1566-E1568 PolarHBondContact NE-OE2 2.86Å; R1566-E1568 IonicContact NH1-OE1 3.05Å; R1566-E1568 IonicContact NH2-OE1 3.21Å; R1566-E1568 PolarHBondContact NH2-OE1 3.22Å; R1566-E1568 VanDerWaalsContact NH2-OE1 3.12Å; R1566-E1568 IonicContact NH2-OE2 3.24Å; R1566-E1568 PolarHBondContact NH2-OE2 3.14Å; E1568-N1570 PolarHBondContact N-ND2 3.16Å; E1568-N1570 VanDerWaalsContact N-ND2 3.19Å; E1568-N1570 PolarHBondContact O-N 3.17Å; E1568-N1570 VanDerWaalsContact O-N 3.12Å; E1568-N1570 PolarHBondContact O-ND2 3.15Å; E1568-R1606 VanDerWaalsContact CA-O 3.24Å; E1568-R1606 WeakPolarHBondContact CA-O 3.18Å; E1568-R1606 HydrophobicContact CG-CB 4.11Å; E1568-R1606 WeakPolarHBondContact CG-O 3.27Å; E1568-R1606 VanDerWaalsContact OE1-CD 3.3Å; E1568-R1606 WeakPolarHBondContact OE1-CD 3.26Å; E1568-R1606 IonicContact OE1-NH1 3.19Å; E1568-R1606 PolarHBondContact OE1-NH1 3.3Å; E1568-N1607 HydrophobicContact CG-CB 4.15Å; E1568-N1607 PolarHBondContact OE1-ND2 3.11Å
1569	N	93.8	Very high	95	Very high	68.4 Å²	68.4	26.8 Å²	26.8	37%	0.366	12%	0.121	S	C	.	.	S	Bend	trans	57.8	26.1	176.8	-49.1	-60.9	0	0	0	113.8	K1307 R1606 N1607	K1307-N1569 VanDerWaalsContact CA-O 3.27Å; K1307-N1569 WeakPolarHBondContact CA-O 3.31Å; K1307-N1569 HydrophobicContact CG-CB 4.15Å; K1307-N1569 PolarHBondContact N-O 3.31Å; N1569-R1606 PolarHBondContact N-O 3.14Å; N1569-R1606 VanDerWaalsContact N-O 3.13Å; N1569-N1607 VanDerWaalsContact CA-O 3.32Å; N1569-N1607 WeakPolarHBondContact CA-O 3.2Å; N1569-N1607 VanDerWaalsContact OD1-CB 3.27Å; N1569-N1607 WeakPolarHBondContact OD1-CB 3.39Å
1570	N	93.3	Very high	94.5	Very high	0.2 Å²	0.2	21.9 Å²	21.9	0%	0.001	10%	0.099	C	C	.	.			trans	-87.5	166.5	172.8	-53.3	-72.4	0	0	0	109.5	I1305 T1306 K1307 S1308 E1568 I1572 N1608 L1609	I1305-N1570 PolarHBondContact O-ND2 3.12Å; I1305-N1570 VanDerWaalsContact O-ND2 3.12Å; T1306-N1570 VanDerWaalsContact C-OD1 3.29Å; T1306-N1570 WeakPolarHBondContact CA-OD1 3.47Å; K1307-N1570 PolarHBondContact N-OD1 3.06Å; K1307-N1570 VanDerWaalsContact N-OD1 3.15Å; S1308-N1570 VanDerWaalsContact CB-OD1 3.28Å; S1308-N1570 WeakPolarHBondContact CB-OD1 3.29Å; S1308-N1570 PolarHBondContact N-OD1 3.15Å; S1308-N1570 WeakPolarHBondContact O-CA 3.08Å; S1308-N1570 PolarHBondContact OG-OD1 2.98Å; E1568-N1570 PolarHBondContact N-ND2 3.16Å; E1568-N1570 VanDerWaalsContact N-ND2 3.19Å; E1568-N1570 PolarHBondContact O-N 3.17Å; E1568-N1570 VanDerWaalsContact O-N 3.12Å; E1568-N1570 PolarHBondContact O-ND2 3.15Å; N1570-I1572 VanDerWaalsContact CB-O 3.3Å; N1570-I1572 WeakPolarHBondContact CB-O 3.34Å; N1570-N1608 WeakPolarHBondContact CB-OD1 3.31Å; N1570-N1608 PolarHBondContact N-OD1 3.09Å; N1570-N1608 VanDerWaalsContact N-OD1 3.1Å; N1570-N1608 PolarHBondContact ND2-OD1 2.75Å; N1570-N1608 CarbonylContact O-C 3.44Å; N1570-N1608 WeakPolarHBondContact O-CA 3.38Å; N1570-N1608 WeakPolarHBondContact O-CB 3.35Å; N1570-N1608 PolarHBondContact O-OD1 2.9Å; N1570-L1609 PolarHBondContact O-N 2.97Å
1571	L	89.2	Confident	93.7	Very high	19 Å²	19	22.3 Å²	22.3	10%	0.099	10%	0.101	C	C	.	.	S	Bend	trans	-60.3	-57.1	167.6	177.6	68.6	0	0	0	110.4	S1308 I1310 N1311 L1609 Y1610 V1696 F1699	S1308-L1571 PolarHBondContact O-N 3.03Å; S1308-L1571 VanDerWaalsContact O-N 3.08Å; I1310-L1571 VanDerWaalsContact C-CD2 3.46Å; I1310-L1571 WeakPolarHBondContact O-CD2 3.29Å; N1311-L1571 WeakPolarHBondContact O-CB 3.32Å; L1571-L1609 HydrophobicContact CD1-CB 4.14Å; L1571-L1609 PolarHBondContact O-N 3.13Å; L1571-Y1610 WeakPolarHBondContact O-CA 3.39Å; L1571-Y1610 VanDerWaalsContact O-CB 3.28Å; L1571-Y1610 WeakPolarHBondContact O-CB 3.38Å; L1571-Y1610 PolarHBondContact O-N 3.03Å; L1571-V1696 HydrophobicContact CD1-CB 4.31Å; L1571-V1696 HydrophobicContact CD1-CG1 3.74Å; L1571-F1699 HydrophobicContact CD1-CE2 3.93Å; L1571-F1699 HydrophobicContact CD1-CZ 4.02Å
1572	I	93	Very high	92.8	Very high	6.8 Å²	6.8	22 Å²	22	4%	0.035	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138	170.4	-60.6	174.1	0	0	0	108.4	N1311 A1312 G1313 N1570 V1574 K1575 Y1610 T1611 N1614	N1311-I1572 PolarHBondContact O-N 3.13Å; N1311-I1572 VanDerWaalsContact O-N 3.16Å; A1312-I1572 CarbonylContact C-O 3.57Å; A1312-I1572 VanDerWaalsContact CA-O 3.23Å; A1312-I1572 WeakPolarHBondContact CA-O 3.33Å; A1312-I1572 HydrophobicContact CB-CB 4.07Å; A1312-I1572 HydrophobicContact CB-CG2 4.37Å; G1313-I1572 PolarHBondContact N-O 3.25Å; N1570-I1572 VanDerWaalsContact CB-O 3.3Å; N1570-I1572 WeakPolarHBondContact CB-O 3.34Å; I1572-V1574 VanDerWaalsContact CG2-O 3.27Å; I1572-V1574 WeakPolarHBondContact CG2-O 3.38Å; I1572-K1575 HydrophobicContact CD1-CD 4.12Å; I1572-K1575 HydrophobicContact CG2-CB 4.22Å; I1572-Y1610 HydrophobicContact CD1-CD1 4.16Å; I1572-Y1610 HydrophobicContact CG1-CD1 4.01Å; I1572-T1611 WeakPolarHBondContact CA-O 3.44Å; I1572-T1611 HydrophobicContact CG1-CG2 4.43Å; I1572-T1611 HydrophobicContact CG2-CG2 4.09Å; I1572-N1614 HydrophobicContact CG2-CB 4.24Å
1573	G	94.5	Very high	91.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-65.2	175.7	0	0	0	0	0	111.5	G1313 L1314 L1567 T1611 G1612	G1313-G1573 WeakPolarHBondContact CA-O 3.38Å; G1313-G1573 PolarHBondContact N-O 3.22Å; G1313-G1573 VanDerWaalsContact N-O 3.14Å; L1314-G1573 PolarHBondContact N-O 3.06Å; L1567-G1573 WeakPolarHBondContact CD2-O 3.36Å; G1573-T1611 PolarHBondContact N-O 3.23Å; G1573-T1611 VanDerWaalsContact N-O 3.13Å; G1573-G1612 CarbonylContact C-O 3.46Å; G1573-G1612 WeakPolarHBondContact CA-O 3.44Å; G1573-G1612 PolarHBondContact N-O 3.08Å
1574	V	97	Very high	90.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.7	178.7	-173.4	0	0	0	0	110.5	L1314 L1567 I1572 L1576 F1600 I1605 G1612 M1613 N1614	L1314-V1574 HydrophobicContact CB-CG1 4.35Å; L1314-V1574 HydrophobicContact CB-CG2 4.4Å; L1314-V1574 HydrophobicContact CD2-CG1 4.35Å; L1314-V1574 HydrophobicContact CG-CG1 4.38Å; L1314-V1574 CarbonylContact O-C 3.5Å; L1314-V1574 VanDerWaalsContact O-CA 3.28Å; L1314-V1574 WeakPolarHBondContact O-CA 3.28Å; L1567-V1574 HydrophobicContact CD1-CG2 3.62Å; L1567-V1574 VanDerWaalsContact CD1-CG2 3.45Å; L1567-V1574 HydrophobicContact CD2-CG2 4.23Å; I1572-V1574 VanDerWaalsContact CG2-O 3.27Å; I1572-V1574 WeakPolarHBondContact CG2-O 3.38Å; V1574-L1576 HydrophobicContact CG1-CD1 4.16Å; V1574-L1576 HydrophobicContact CG1-CD2 3.7Å; V1574-L1576 HydrophobicContact CG1-CG 3.83Å; V1574-F1600 HydrophobicContact CG1-CE1 4.13Å; V1574-F1600 HydrophobicContact CG1-CZ 4.08Å; V1574-F1600 HydrophobicContact CG2-CE1 4.31Å; V1574-I1605 HydrophobicContact CG2-CD1 3.99Å; V1574-G1612 PolarHBondContact N-O 3.04Å; V1574-M1613 HydrophobicContact CB-CB 4.3Å; V1574-M1613 HydrophobicContact CB-CE 4.23Å; V1574-M1613 HydrophobicContact CB-CG 3.99Å; V1574-M1613 HydrophobicContact CG1-CE 4.29Å; V1574-M1613 HydrophobicContact CG1-CG 4.33Å; V1574-M1613 HydrophobicContact CG2-CE 4.31Å; V1574-M1613 HydrophobicContact CG2-CG 4.07Å; V1574-M1613 CarbonylContact O-C 3.54Å; V1574-M1613 VanDerWaalsContact O-CA 3.28Å; V1574-M1613 WeakPolarHBondContact O-CA 3.33Å; V1574-N1614 PolarHBondContact O-N 2.95Å
1575	K	95.6	Very high	89.3	Confident	21.4 Å²	21.4	24.2 Å²	24.2	9%	0.093	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.3	178.4	-165.1	-178.8	-164.6	-172.7	0	110.9	N1311 A1312 L1314 Q1315 Y1316 I1572 Y1577 N1614 I1616	N1311-K1575 WeakPolarHBondContact OD1-CD 3.23Å; N1311-K1575 PolarHBondContact OD1-NZ 2.81Å; N1311-K1575 VanDerWaalsContact OD1-NZ 3.11Å; A1312-K1575 HydrophobicContact CB-CB 3.61Å; A1312-K1575 HydrophobicContact CB-CD 4.43Å; L1314-K1575 PolarHBondContact O-N 3.35Å; Q1315-K1575 CarbonylContact C-O 3.49Å; Q1315-K1575 VanDerWaalsContact CA-O 3.24Å; Q1315-K1575 WeakPolarHBondContact CA-O 3.29Å; Q1315-K1575 HydrophobicContact CG-CB 4.45Å; Y1316-K1575 PolarHBondContact N-O 2.83Å; I1572-K1575 HydrophobicContact CD1-CD 4.12Å; I1572-K1575 HydrophobicContact CG2-CB 4.22Å; K1575-Y1577 HydrophobicContact CD-CE2 3.87Å; K1575-Y1577 WeakPolarHBondContact CE-OH 3.36Å; K1575-Y1577 HydrophobicContact CG-CE2 3.91Å; K1575-Y1577 PolarHBondContact NZ-OH 3Å; K1575-Y1577 VanDerWaalsContact NZ-OH 3.11Å; K1575-N1614 CarbonylContact C-O 3.52Å; K1575-N1614 WeakPolarHBondContact CA-O 3.3Å; K1575-N1614 HydrophobicContact CG-CB 4.45Å; K1575-I1616 HydrophobicContact CG-CD1 4.22Å
1576	L	95.9	Very high	88	Confident	0.2 Å²	0.2	30.2 Å²	30.2	0%	0.001	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.6	-172.2	-51.2	173.5	0	0	0	109.8	Y1316 F1560 V1574 F1598 F1600 M1613 N1614 I1615 I1616 Y1645	Y1316-L1576 VanDerWaalsContact CB-CD2 3.44Å; Y1316-L1576 HydrophobicContact CD1-CB 4.4Å; Y1316-L1576 HydrophobicContact CD1-CD2 4.43Å; Y1316-L1576 HydrophobicContact CG-CD2 4.42Å; Y1316-L1576 WeakPolarHBondContact O-CA 3.48Å; F1560-L1576 HydrophobicContact CZ-CD2 4.44Å; V1574-L1576 HydrophobicContact CG1-CD1 4.16Å; V1574-L1576 HydrophobicContact CG1-CD2 3.7Å; V1574-L1576 HydrophobicContact CG1-CG 3.83Å; L1576-F1598 HydrophobicContact CD1-CD1 4.34Å; L1576-F1600 HydrophobicContact CD1-CE2 4.19Å; L1576-F1600 HydrophobicContact CD1-CZ 4Å; L1576-M1613 HydrophobicContact CD1-CE 3.84Å; L1576-M1613 VanDerWaalsContact CD1-CE 3.41Å; L1576-M1613 HydrophobicContact CG-CE 4.41Å; L1576-N1614 PolarHBondContact N-O 2.92Å; L1576-I1615 HydrophobicContact CD1-CD1 4.43Å; L1576-I1615 HydrophobicContact CD1-CG1 4.25Å; L1576-I1615 WeakPolarHBondContact O-CA 3.27Å; L1576-I1616 PolarHBondContact O-N 3.13Å; L1576-Y1645 HydrophobicContact CD1-CE1 3.44Å; L1576-Y1645 VanDerWaalsContact CD1-CE1 3.44Å; L1576-Y1645 VanDerWaalsContact CD1-OH 3.24Å; L1576-Y1645 WeakPolarHBondContact CD1-OH 3.23Å
1577	Y	93.3	Very high	86.9	Confident	41 Å²	41	27.9 Å²	27.9	16%	0.161	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.5	178.7	-68	-95.9	0	0	0	111.6	Q1315 Y1316 N1317 K1575 I1616 V1618	Q1315-Y1577 HydrophobicContact CG-CE2 4.3Å; Y1316-Y1577 WeakPolarHBondContact CD1-O 2.94Å; Y1316-Y1577 WeakPolarHBondContact CE1-O 3.31Å; Y1316-Y1577 WeakPolarHBondContact O-CD2 3.41Å; Y1316-Y1577 PolarHBondContact O-N 2.96Å; N1317-Y1577 HydrophobicContact CB-CD2 3.76Å; N1317-Y1577 HydrophobicContact CB-CE2 4.35Å; N1317-Y1577 HydrophobicContact CB-CG 4.36Å; K1575-Y1577 HydrophobicContact CD-CE2 3.87Å; K1575-Y1577 WeakPolarHBondContact CE-OH 3.36Å; K1575-Y1577 HydrophobicContact CG-CE2 3.91Å; K1575-Y1577 PolarHBondContact NZ-OH 3Å; K1575-Y1577 VanDerWaalsContact NZ-OH 3.11Å; Y1577-I1616 CarbonylContact C-O 3.56Å; Y1577-I1616 WeakPolarHBondContact CA-O 3.25Å; Y1577-I1616 HydrophobicContact CD1-CB 4.11Å; Y1577-I1616 HydrophobicContact CD1-CD1 4.24Å; Y1577-I1616 HydrophobicContact CD1-CG2 4.26Å; Y1577-I1616 HydrophobicContact CE1-CB 4.38Å; Y1577-I1616 HydrophobicContact CE1-CD1 3.72Å; Y1577-I1616 HydrophobicContact CE1-CG2 4.38Å; Y1577-I1616 HydrophobicContact CE2-CD1 4.47Å; Y1577-V1618 HydrophobicContact CD1-CG2 3.88Å; Y1577-V1618 HydrophobicContact CE1-CG2 4.44Å
1578	H	91.7	Very high	86.2	Confident	5.6 Å²	5.6	28.5 Å²	28.5	3%	0.026	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.9	178.9	-74.2	-65.1	0	0	0	111.1	Y1316 E1596 F1598 I1616 S1617 V1618 I1643 Y1645 W1674	Y1316-H1578 AromaticContact CE1-CE1 3.79Å; H1578-E1596 IonicContact CE1-OE2 3.49Å; H1578-E1596 PolarHBondContact CE1-OE2 3.37Å; H1578-E1596 IonicContact ND1-OE2 3.14Å; H1578-F1598 AromaticContact CE1-CE2 3.41Å; H1578-F1598 VanDerWaalsContact CE1-CE2 3.43Å; H1578-F1598 WeakPolarHBondContact CE1-CE2 3.35Å; H1578-F1598 AromaticContact CE1-CZ 3.51Å; H1578-F1598 VanDerWaalsContact CE1-CZ 3.49Å; H1578-F1598 WeakPolarHBondContact CE1-CZ 3.21Å; H1578-F1598 AromaticContact NE2-CE2 3.87Å; H1578-F1598 AromaticContact NE2-CZ 3.92Å; H1578-I1616 PolarHBondContact N-O 2.97Å; H1578-S1617 CarbonylContact O-C 3.56Å; H1578-S1617 VanDerWaalsContact O-CA 3.28Å; H1578-S1617 WeakPolarHBondContact O-CA 3.33Å; H1578-S1617 PolarHBondContact O-OG 3.04Å; H1578-V1618 PolarHBondContact O-N 2.98Å; H1578-I1643 HydrophobicContact CB-CD1 4.11Å; H1578-Y1645 PolarHBondContact CD2-OH 3.04Å; H1578-Y1645 AromaticContact NE2-CE2 3.77Å; H1578-Y1645 AromaticContact NE2-CZ 3.64Å; H1578-Y1645 PolarHBondContact NE2-OH 3.25Å; H1578-W1674 HydrophobicContact CB-CH2 3.5Å; H1578-W1674 VanDerWaalsContact CB-CH2 3.46Å; H1578-W1674 HydrophobicContact CB-CZ2 4.27Å; H1578-W1674 HydrophobicContact CB-CZ3 4.34Å; H1578-W1674 AromaticContact CD2-CH2 3.56Å; H1578-W1674 VanDerWaalsContact CD2-CH2 3.49Å; H1578-W1674 WeakPolarHBondContact CD2-CH2 3.46Å; H1578-W1674 AromaticContact CD2-CZ3 3.58Å; H1578-W1674 AromaticContact CG-CH2 3.6Å; H1578-W1674 AromaticContact CG-CZ3 3.94Å
1579	Y	87.5	Confident	85.7	Confident	12 Å²	12	27.2 Å²	27.2	5%	0.047	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147	-173.1	-62.3	-80.6	0	0	0	112	N1317 R1318 I1319 F1590 R1592 V1618 N1672	N1317-Y1579 PolarHBondContact OD1-OH 3.18Å; R1318-Y1579 HydrophobicContact CB-CE2 4.46Å; I1319-Y1579 HydrophobicContact CB-CE2 4.43Å; I1319-Y1579 WeakPolarHBondContact CB-OH 3.19Å; Y1579-F1590 HydrophobicContact CD1-CB 3.84Å; Y1579-F1590 AromaticContact CD1-CD1 3.58Å; Y1579-F1590 HydrophobicContact CD1-CD1 3.58Å; Y1579-F1590 AromaticContact CD1-CD2 3.6Å; Y1579-F1590 HydrophobicContact CD1-CD2 3.6Å; Y1579-F1590 VanDerWaalsContact CD1-CD2 3.45Å; Y1579-F1590 AromaticContact CD1-CE1 3.95Å; Y1579-F1590 HydrophobicContact CD1-CE1 3.99Å; Y1579-F1590 AromaticContact CD1-CE2 3.88Å; Y1579-F1590 HydrophobicContact CD1-CE2 3.98Å; Y1579-F1590 AromaticContact CD1-CG 3.38Å; Y1579-F1590 HydrophobicContact CD1-CG 3.38Å; Y1579-F1590 VanDerWaalsContact CD1-CG 3.45Å; Y1579-F1590 HydrophobicContact CD1-CZ 4.17Å; Y1579-F1590 HydrophobicContact CD2-CB 3.98Å; Y1579-F1590 HydrophobicContact CD2-CD1 4.38Å; Y1579-F1590 HydrophobicContact CD2-CG 4.28Å; Y1579-F1590 HydrophobicContact CE1-CB 4.44Å; Y1579-F1590 AromaticContact CE1-CD1 3.47Å; Y1579-F1590 HydrophobicContact CE1-CD1 3.47Å; Y1579-F1590 VanDerWaalsContact CE1-CD1 3.43Å; Y1579-F1590 AromaticContact CE1-CD2 3.98Å; Y1579-F1590 HydrophobicContact CE1-CD2 4.13Å; Y1579-F1590 AromaticContact CE1-CE1 3.58Å; Y1579-F1590 HydrophobicContact CE1-CE1 3.58Å; Y1579-F1590 VanDerWaalsContact CE1-CE1 3.49Å; Y1579-F1590 HydrophobicContact CE1-CE2 4.19Å; Y1579-F1590 AromaticContact CE1-CG 3.82Å; Y1579-F1590 HydrophobicContact CE1-CG 3.82Å; Y1579-F1590 AromaticContact CE1-CZ 3.92Å; Y1579-F1590 HydrophobicContact CE1-CZ 3.98Å; Y1579-F1590 HydrophobicContact CE2-CD1 4.29Å; Y1579-F1590 HydrophobicContact CG-CB 3.53Å; Y1579-F1590 VanDerWaalsContact CG-CB 3.5Å; Y1579-F1590 AromaticContact CG-CD1 3.97Å; Y1579-F1590 HydrophobicContact CG-CD1 4.06Å; Y1579-F1590 HydrophobicContact CG-CD2 4.15Å; Y1579-F1590 AromaticContact CG-CG 3.66Å; Y1579-F1590 HydrophobicContact CG-CG 3.66Å; Y1579-F1590 AromaticContact CZ-CD1 3.81Å; Y1579-R1592 VanDerWaalsContact O-CD 3.28Å; Y1579-R1592 WeakPolarHBondContact O-CD 3.39Å; Y1579-R1592 WeakPolarHBondContact O-CG 3.4Å; Y1579-R1592 PolarHBondContact O-NE 3.11Å; Y1579-R1592 VanDerWaalsContact O-NE 3.08Å; Y1579-V1618 WeakPolarHBondContact CA-O 3.26Å; Y1579-V1618 HydrophobicContact CD1-CB 3.72Å; Y1579-V1618 HydrophobicContact CD1-CG1 3.89Å; Y1579-V1618 HydrophobicContact CE1-CB 3.74Å; Y1579-V1618 HydrophobicContact CE1-CG1 3.7Å; Y1579-V1618 HydrophobicContact CE1-CG2 4.32Å; Y1579-N1672 PolarHBondContact O-ND2 3.25Å; Y1579-N1672 PolarHBondContact O-OD1 3.37Å
1580	N	81.8	Confident	85.4	Confident	3.4 Å²	3.4	24.4 Å²	24.4	2%	0.018	11%	0.113	C	C	.	.	S	Bend	trans	-99.2	-20.5	175.1	-66	-77.5	0	0	0	113	R1592 S1617 V1618 T1619 H1664 A1670 N1671 N1672	N1580-R1592 PolarHBondContact O-NH1 3.21Å; N1580-S1617 PolarHBondContact ND2-OG 2.85Å; N1580-V1618 PolarHBondContact N-O 2.96Å; N1580-V1618 VanDerWaalsContact N-O 3.16Å; N1580-V1618 PolarHBondContact ND2-O 3.07Å; N1580-T1619 HydrophobicContact CB-CG2 4.03Å; N1580-T1619 WeakPolarHBondContact ND2-CG2 3.39Å; N1580-H1664 PolarHBondContact ND2-CE1 2.94Å; N1580-A1670 WeakPolarHBondContact OD1-CA 3.33Å; N1580-A1670 WeakPolarHBondContact OD1-CB 3.06Å; N1580-N1671 HydrophobicContact CB-CB 4.49Å; N1580-N1671 PolarHBondContact O-ND2 3.05Å; N1580-N1671 PolarHBondContact OD1-N 3.1Å; N1580-N1671 VanDerWaalsContact OD1-N 3.11Å; N1580-N1672 PolarHBondContact OD1-ND2 2.9Å; N1580-N1672 VanDerWaalsContact OD1-ND2 3.11Å
1581	D	79.7	Confident	85	Confident	8.6 Å²	8.6	25.2 Å²	25.2	5%	0.046	12%	0.116	C	C	.	.	S	Bend	trans	-115.7	152.6	-178.6	-54.3	-86	0	0	0	109	M1583 F1590 T1619 Q1620	D1581-M1583 VanDerWaalsContact C-N 3.3Å; D1581-M1583 PolarHBondContact O-N 3.05Å; D1581-F1590 HydrophobicContact CB-CD2 4.49Å; D1581-F1590 WeakPolarHBondContact O-CB 3.33Å; D1581-F1590 WeakPolarHBondContact O-CD2 3.04Å; D1581-T1619 VanDerWaalsContact OD2-CA 3.29Å; D1581-T1619 WeakPolarHBondContact OD2-CA 3.37Å; D1581-T1619 VanDerWaalsContact OD2-CB 3.25Å; D1581-T1619 WeakPolarHBondContact OD2-CB 3.37Å; D1581-Q1620 HydrophobicContact CB-CB 4.11Å; D1581-Q1620 HydrophobicContact CB-CG 4.34Å; D1581-Q1620 PolarHBondContact OD1-NE2 3.07Å; D1581-Q1620 WeakPolarHBondContact OD2-CG 3.18Å; D1581-Q1620 PolarHBondContact OD2-N 2.95Å
1582	P	78.4	Confident	85	Confident	26.4 Å²	26.4	25 Å²	25	17%	0.171	11%	0.114	C	C	.	.	S	Bend	trans	-76.1	-18.5	177	30.4	-35.1	0	0	0	113.1	F1412 L1444 L1497 F1590 E1638	F1412-P1582 HydrophobicContact CE2-CB 4.45Å; F1412-P1582 HydrophobicContact CZ-CB 4.15Å; L1444-P1582 HydrophobicContact CD2-CG 3.66Å; L1497-P1582 HydrophobicContact CD1-CB 3.77Å; L1497-P1582 HydrophobicContact CD1-CG 4.39Å; P1582-F1590 CarbonylContact C-O 3.51Å; P1582-F1590 VanDerWaalsContact CA-O 3.29Å; P1582-F1590 WeakPolarHBondContact CA-O 3.38Å; P1582-F1590 PolarHBondContact O-N 3.02Å; P1582-F1590 VanDerWaalsContact O-O 3.12Å; P1582-E1638 VanDerWaalsContact CB-OE1 3.27Å; P1582-E1638 WeakPolarHBondContact CB-OE1 3.32Å; P1582-E1638 WeakPolarHBondContact CD-OE1 3.45Å; P1582-E1638 WeakPolarHBondContact CD-OE2 3.42Å; P1582-E1638 HydrophobicContact CG-CG 4.36Å; P1582-E1638 VanDerWaalsContact CG-OE1 3.29Å; P1582-E1638 WeakPolarHBondContact CG-OE1 3.21Å
1583	M	76.3	Confident	84.8	Confident	18.6 Å²	18.6	24.9 Å²	24.9	9%	0.092	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-154.7	160.8	-177	-61.3	-174.1	66.9	0	0	111.9	F1412 G1414 D1581 N1587 N1588 H1589 Q1620	F1412-M1583 HydrophobicContact CD2-SD 4.18Å; F1412-M1583 HydrophobicContact CE2-CG 3.86Å; F1412-M1583 HydrophobicContact CE2-SD 3.44Å; F1412-M1583 WeakPolarHBondContact CE2-SD 3.3Å; F1412-M1583 HydrophobicContact CZ-CG 3.82Å; F1412-M1583 HydrophobicContact CZ-SD 3.96Å; G1414-M1583 WeakPolarHBondContact CA-SD 3.32Å; D1581-M1583 VanDerWaalsContact C-N 3.3Å; D1581-M1583 PolarHBondContact O-N 3.05Å; M1583-N1587 VanDerWaalsContact CE-C 3.49Å; M1583-N1587 VanDerWaalsContact CE-CA 3.45Å; M1583-N1587 HydrophobicContact CE-CB 3.7Å; M1583-N1587 WeakPolarHBondContact CE-O 3.41Å; M1583-N1588 CarbonylContact C-O 3.57Å; M1583-N1588 VanDerWaalsContact CA-O 3.22Å; M1583-N1588 WeakPolarHBondContact CA-O 3.27Å; M1583-N1588 WeakPolarHBondContact CB-O 3.4Å; M1583-H1589 VanDerWaalsContact CE-CD2 3.48Å; M1583-H1589 WeakPolarHBondContact CE-CD2 3.38Å; M1583-H1589 WeakPolarHBondContact CE-CE1 3.39Å; M1583-H1589 WeakPolarHBondContact CE-ND1 3.23Å; M1583-H1589 WeakPolarHBondContact CE-NE2 3.45Å; M1583-H1589 WeakPolarHBondContact CG-ND1 3.38Å; M1583-H1589 PolarHBondContact SD-CE1 3.06Å; M1583-H1589 PolarHBondContact SD-ND1 3Å; M1583-Q1620 WeakPolarHBondContact O-CB 3.27Å
1584	D	74.2	Confident	84.3	Confident	17.6 Å²	17.6	27.2 Å²	27.2	9%	0.094	12%	0.124	C	C	.	.			trans	-100.2	-179.5	165.7	67.9	15.7	0	0	0	113.5	Q1586 N1587 N1588 F1590 Q1620	D1584-Q1586 PolarHBondContact O-N 3.02Å; D1584-Q1586 VanDerWaalsContact O-N 3.13Å; D1584-Q1586 VanDerWaalsContact OD1-CA 3.31Å; D1584-Q1586 WeakPolarHBondContact OD1-CA 3.22Å; D1584-Q1586 WeakPolarHBondContact OD1-CB 3.3Å; D1584-Q1586 PolarHBondContact OD1-N 2.91Å; D1584-N1587 PolarHBondContact O-N 3.11Å; D1584-N1587 VanDerWaalsContact O-N 3.14Å; D1584-N1587 PolarHBondContact OD1-N 3Å; D1584-N1587 VanDerWaalsContact OD1-N 3.1Å; D1584-N1588 PolarHBondContact N-O 2.9Å; D1584-N1588 VanDerWaalsContact N-O 3.08Å; D1584-N1588 WeakPolarHBondContact OD1-CB 3.35Å; D1584-N1588 PolarHBondContact OD1-N 3.04Å; D1584-N1588 PolarHBondContact OD1-ND2 2.9Å; D1584-N1588 WeakPolarHBondContact OD2-CB 3.35Å; D1584-N1588 PolarHBondContact OD2-ND2 2.77Å; D1584-F1590 HydrophobicContact CB-CE1 4.4Å; D1584-F1590 HydrophobicContact CB-CE2 3.64Å; D1584-F1590 HydrophobicContact CB-CZ 3.58Å; D1584-Q1620 HydrophobicContact CB-CB 4.33Å
1585	R	70.1	Confident	83.9	Confident	119.2 Å²	119.2	29.4 Å²	29.4	45%	0.45	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.5	176	-66.2	-175.9	176.2	-180	-2.4	114.4	N1587 F1626 H1627 E1632	R1585-N1587 VanDerWaalsContact C-N 3.3Å; R1585-F1626 VanDerWaalsContact CZ-CD1 3.43Å; R1585-F1626 VanDerWaalsContact NH1-CD2 3.26Å; R1585-F1626 PolarHBondContact NH1-O 2.85Å; R1585-F1626 PolarHBondContact NH2-O 2.76Å; R1585-H1627 PolarHBondContact NH2-O 2.82Å; R1585-E1632 IonicContact CZ-OE2 2.79Å; R1585-E1632 IonicContact NH2-OE1 3.52Å; R1585-E1632 IonicContact NH2-OE2 3.88Å; R1585-E1632 PolarHBondContact NH2-OE2 3.46Å
1586	Q	71.8	Confident	83.7	Confident	125.6 Å²	125.6	28.6 Å²	28.6	59%	0.587	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	3.9	176.5	-65.9	179.2	-23.5	0	0	112	V1322 D1584 N1588	V1322-Q1586 WeakPolarHBondContact CG2-O 3.34Å; D1584-Q1586 PolarHBondContact O-N 3.02Å; D1584-Q1586 VanDerWaalsContact O-N 3.13Å; D1584-Q1586 VanDerWaalsContact OD1-CA 3.31Å; D1584-Q1586 WeakPolarHBondContact OD1-CA 3.22Å; D1584-Q1586 WeakPolarHBondContact OD1-CB 3.3Å; D1584-Q1586 PolarHBondContact OD1-N 2.91Å; Q1586-N1588 VanDerWaalsContact C-N 3.29Å; Q1586-N1588 PolarHBondContact O-N 3.15Å; Q1586-N1588 PolarHBondContact OE1-ND2 3Å
1587	N	75.1	Confident	83.6	Confident	63.4 Å²	63.4	30.2 Å²	30.2	34%	0.339	14%	0.141	S	C	.	.			trans	62.6	26.9	-172	-59.6	-44.6	0	0	0	114.1	V1322 R1325 M1583 D1584 R1585	V1322-N1587 HydrophobicContact CG2-CB 4.41Å; R1325-N1587 PolarHBondContact NH2-O 2.79Å; M1583-N1587 VanDerWaalsContact CE-C 3.49Å; M1583-N1587 VanDerWaalsContact CE-CA 3.45Å; M1583-N1587 HydrophobicContact CE-CB 3.7Å; M1583-N1587 WeakPolarHBondContact CE-O 3.41Å; D1584-N1587 PolarHBondContact O-N 3.11Å; D1584-N1587 VanDerWaalsContact O-N 3.14Å; D1584-N1587 PolarHBondContact OD1-N 3Å; D1584-N1587 VanDerWaalsContact OD1-N 3.1Å; R1585-N1587 VanDerWaalsContact C-N 3.3Å
1588	N	83	Confident	83.8	Confident	13.8 Å²	13.8	28.3 Å²	28.3	7%	0.074	13%	0.133	C	C	.	.			trans	-73.1	140.1	166	-57.2	-45.7	0	0	0	108.7	I1319 M1320 T1321 V1322 M1583 D1584 Q1586 F1590	I1319-N1588 HydrophobicContact CD1-CB 4.24Å; I1319-N1588 HydrophobicContact CG1-CB 4.24Å; M1320-N1588 WeakPolarHBondContact O-CA 3.28Å; T1321-N1588 VanDerWaalsContact CA-OD1 3.25Å; T1321-N1588 WeakPolarHBondContact CA-OD1 3.22Å; V1322-N1588 PolarHBondContact N-OD1 2.84Å; M1583-N1588 CarbonylContact C-O 3.57Å; M1583-N1588 VanDerWaalsContact CA-O 3.22Å; M1583-N1588 WeakPolarHBondContact CA-O 3.27Å; M1583-N1588 WeakPolarHBondContact CB-O 3.4Å; D1584-N1588 PolarHBondContact N-O 2.9Å; D1584-N1588 VanDerWaalsContact N-O 3.08Å; D1584-N1588 WeakPolarHBondContact OD1-CB 3.35Å; D1584-N1588 PolarHBondContact OD1-N 3.04Å; D1584-N1588 PolarHBondContact OD1-ND2 2.9Å; D1584-N1588 WeakPolarHBondContact OD2-CB 3.35Å; D1584-N1588 PolarHBondContact OD2-ND2 2.77Å; Q1586-N1588 VanDerWaalsContact C-N 3.29Å; Q1586-N1588 PolarHBondContact O-N 3.15Å; Q1586-N1588 PolarHBondContact OE1-ND2 3Å; N1588-F1590 HydrophobicContact CB-CE1 4.37Å
1589	H	84.9	Confident	84.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.4	179.1	-68.4	-136.5	0	0	0	110.7	I1319 M1320 R1325 E1411 F1412 M1583 W1591	I1319-H1589 CarbonylContact C-O 3.53Å; I1319-H1589 VanDerWaalsContact CA-O 3.26Å; I1319-H1589 WeakPolarHBondContact CA-O 3.35Å; M1320-H1589 HydrophobicContact CB-CB 4.36Å; M1320-H1589 PolarHBondContact N-O 3Å; M1320-H1589 PolarHBondContact O-N 3.04Å; R1325-H1589 VanDerWaalsContact CD-CE1 3.48Å; R1325-H1589 WeakPolarHBondContact CD-CE1 3.49Å; R1325-H1589 VanDerWaalsContact CZ-NE2 3.27Å; R1325-H1589 PolarHBondContact NE-NE2 3.4Å; R1325-H1589 PolarHBondContact NH1-CE1 3.49Å; R1325-H1589 VanDerWaalsContact NH1-CE1 3.33Å; R1325-H1589 PolarHBondContact NH1-NE2 3.36Å; R1325-H1589 VanDerWaalsContact NH1-NE2 3.17Å; R1325-H1589 PolarHBondContact NH2-NE2 3.06Å; E1411-H1589 WeakPolarHBondContact CG-NE2 3.2Å; F1412-H1589 AromaticContact CD1-CE1 3.82Å; F1412-H1589 AromaticContact CD1-ND1 3.84Å; F1412-H1589 AromaticContact CD2-CE1 3.8Å; F1412-H1589 AromaticContact CE1-CE1 3.56Å; F1412-H1589 AromaticContact CE1-ND1 3.64Å; F1412-H1589 WeakPolarHBondContact CE1-ND1 3.38Å; F1412-H1589 AromaticContact CE2-CE1 3.73Å; F1412-H1589 AromaticContact CE2-ND1 3.72Å; F1412-H1589 AromaticContact CG-CE1 3.75Å; F1412-H1589 AromaticContact CZ-CE1 3.77Å; F1412-H1589 AromaticContact CZ-ND1 3.34Å; F1412-H1589 WeakPolarHBondContact CZ-ND1 3.11Å; F1412-H1589 PolarHBondContact O-CE1 2.94Å; F1412-H1589 PolarHBondContact O-NE2 3.14Å; F1412-H1589 VanDerWaalsContact O-NE2 3.14Å; M1583-H1589 VanDerWaalsContact CE-CD2 3.48Å; M1583-H1589 WeakPolarHBondContact CE-CD2 3.38Å; M1583-H1589 WeakPolarHBondContact CE-CE1 3.39Å; M1583-H1589 WeakPolarHBondContact CE-ND1 3.23Å; M1583-H1589 WeakPolarHBondContact CE-NE2 3.45Å; M1583-H1589 WeakPolarHBondContact CG-ND1 3.38Å; M1583-H1589 PolarHBondContact SD-CE1 3.06Å; M1583-H1589 PolarHBondContact SD-ND1 3Å; H1589-W1591 HydrophobicContact CB-CZ2 4.1Å; H1589-W1591 AromaticContact ND1-CZ2 3.98Å
1590	F	86.1	Confident	84.7	Confident	8.6 Å²	8.6	28.2 Å²	28.2	4%	0.038	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	102.9	176.4	-65.1	-23.5	0	0	0	108.1	I1319 Y1579 D1581 P1582 D1584 N1588 Q1620	I1319-F1590 HydrophobicContact CB-CD1 4.28Å; I1319-F1590 HydrophobicContact CB-CE1 4.41Å; I1319-F1590 HydrophobicContact CD1-CD1 4.31Å; I1319-F1590 HydrophobicContact CD1-CE1 3.64Å; I1319-F1590 HydrophobicContact CG1-CD1 3.9Å; I1319-F1590 HydrophobicContact CG1-CE1 3.73Å; Y1579-F1590 HydrophobicContact CD1-CB 3.84Å; Y1579-F1590 AromaticContact CD1-CD1 3.58Å; Y1579-F1590 HydrophobicContact CD1-CD1 3.58Å; Y1579-F1590 AromaticContact CD1-CD2 3.6Å; Y1579-F1590 HydrophobicContact CD1-CD2 3.6Å; Y1579-F1590 VanDerWaalsContact CD1-CD2 3.45Å; Y1579-F1590 AromaticContact CD1-CE1 3.95Å; Y1579-F1590 HydrophobicContact CD1-CE1 3.99Å; Y1579-F1590 AromaticContact CD1-CE2 3.88Å; Y1579-F1590 HydrophobicContact CD1-CE2 3.98Å; Y1579-F1590 AromaticContact CD1-CG 3.38Å; Y1579-F1590 HydrophobicContact CD1-CG 3.38Å; Y1579-F1590 VanDerWaalsContact CD1-CG 3.45Å; Y1579-F1590 HydrophobicContact CD1-CZ 4.17Å; Y1579-F1590 HydrophobicContact CD2-CB 3.98Å; Y1579-F1590 HydrophobicContact CD2-CD1 4.38Å; Y1579-F1590 HydrophobicContact CD2-CG 4.28Å; Y1579-F1590 HydrophobicContact CE1-CB 4.44Å; Y1579-F1590 AromaticContact CE1-CD1 3.47Å; Y1579-F1590 HydrophobicContact CE1-CD1 3.47Å; Y1579-F1590 VanDerWaalsContact CE1-CD1 3.43Å; Y1579-F1590 AromaticContact CE1-CD2 3.98Å; Y1579-F1590 HydrophobicContact CE1-CD2 4.13Å; Y1579-F1590 AromaticContact CE1-CE1 3.58Å; Y1579-F1590 HydrophobicContact CE1-CE1 3.58Å; Y1579-F1590 VanDerWaalsContact CE1-CE1 3.49Å; Y1579-F1590 HydrophobicContact CE1-CE2 4.19Å; Y1579-F1590 AromaticContact CE1-CG 3.82Å; Y1579-F1590 HydrophobicContact CE1-CG 3.82Å; Y1579-F1590 AromaticContact CE1-CZ 3.92Å; Y1579-F1590 HydrophobicContact CE1-CZ 3.98Å; Y1579-F1590 HydrophobicContact CE2-CD1 4.29Å; Y1579-F1590 HydrophobicContact CG-CB 3.53Å; Y1579-F1590 VanDerWaalsContact CG-CB 3.5Å; Y1579-F1590 AromaticContact CG-CD1 3.97Å; Y1579-F1590 HydrophobicContact CG-CD1 4.06Å; Y1579-F1590 HydrophobicContact CG-CD2 4.15Å; Y1579-F1590 AromaticContact CG-CG 3.66Å; Y1579-F1590 HydrophobicContact CG-CG 3.66Å; Y1579-F1590 AromaticContact CZ-CD1 3.81Å; D1581-F1590 HydrophobicContact CB-CD2 4.49Å; D1581-F1590 WeakPolarHBondContact O-CB 3.33Å; D1581-F1590 WeakPolarHBondContact O-CD2 3.04Å; P1582-F1590 CarbonylContact C-O 3.51Å; P1582-F1590 VanDerWaalsContact CA-O 3.29Å; P1582-F1590 WeakPolarHBondContact CA-O 3.38Å; P1582-F1590 PolarHBondContact O-N 3.02Å; P1582-F1590 VanDerWaalsContact O-O 3.12Å; D1584-F1590 HydrophobicContact CB-CE1 4.4Å; D1584-F1590 HydrophobicContact CB-CE2 3.64Å; D1584-F1590 HydrophobicContact CB-CZ 3.58Å; N1588-F1590 HydrophobicContact CB-CE1 4.37Å; F1590-Q1620 HydrophobicContact CE2-CB 4.5Å
1591	W	86.7	Confident	85.4	Confident	18 Å²	18	31 Å²	31	7%	0.068	15%	0.147	C	C	.	.			trans	-83.7	143.2	-176.6	-59.8	89.7	0	0	0	111.8	Y1269 R1318 M1320 L1409 L1410 F1412 L1497 H1589	Y1269-W1591 AromaticContact CZ-NE1 3.99Å; Y1269-W1591 WeakPolarHBondContact OH-CZ2 3.31Å; Y1269-W1591 PolarHBondContact OH-NE1 3.06Å; R1318-W1591 HydrophobicContact CB-CB 4.14Å; R1318-W1591 VanDerWaalsContact CD-CB 3.49Å; R1318-W1591 HydrophobicContact CG-CB 3.7Å; R1318-W1591 HydrophobicContact CG-CG 4.21Å; R1318-W1591 PolarHBondContact O-N 3.1Å; R1318-W1591 VanDerWaalsContact O-N 3.14Å; M1320-W1591 HydrophobicContact CE-CZ2 4.3Å; L1409-W1591 HydrophobicContact CB-CH2 4.25Å; L1409-W1591 HydrophobicContact CB-CZ3 4.34Å; L1409-W1591 HydrophobicContact CD2-CH2 3.94Å; L1409-W1591 HydrophobicContact CD2-CZ3 4.07Å; L1409-W1591 HydrophobicContact CG-CH2 3.91Å; L1409-W1591 HydrophobicContact CG-CZ3 4.22Å; L1409-W1591 VanDerWaalsContact O-CH2 3.23Å; L1409-W1591 WeakPolarHBondContact O-CH2 3.36Å; L1409-W1591 WeakPolarHBondContact O-CZ3 3.26Å; L1410-W1591 VanDerWaalsContact C-CH2 3.41Å; L1410-W1591 VanDerWaalsContact C-CZ2 3.44Å; L1410-W1591 WeakPolarHBondContact O-CH2 3.37Å; L1410-W1591 VanDerWaalsContact O-CZ2 3.29Å; L1410-W1591 WeakPolarHBondContact O-CZ2 3.3Å; F1412-W1591 AromaticContact CD1-CH2 3.62Å; F1412-W1591 HydrophobicContact CD1-CH2 3.62Å; F1412-W1591 AromaticContact CD1-CZ2 3.81Å; F1412-W1591 HydrophobicContact CD1-CZ2 4.11Å; F1412-W1591 HydrophobicContact CD1-CZ3 4.21Å; F1412-W1591 HydrophobicContact CE1-CE3 4.48Å; F1412-W1591 AromaticContact CE1-CH2 3.75Å; F1412-W1591 HydrophobicContact CE1-CH2 3.75Å; F1412-W1591 AromaticContact CE1-CZ2 3.75Å; F1412-W1591 HydrophobicContact CE1-CZ2 4.03Å; F1412-W1591 AromaticContact CE1-CZ3 3.98Å; F1412-W1591 HydrophobicContact CE1-CZ3 4.07Å; L1497-W1591 HydrophobicContact CD2-CZ3 4.05Å; H1589-W1591 HydrophobicContact CB-CZ2 4.1Å; H1589-W1591 AromaticContact ND1-CZ2 3.98Å
1592	R	88.3	Confident	86.3	Confident	14.2 Å²	14.2	33.7 Å²	33.7	5%	0.054	16%	0.161	C	C	.	.			trans	-136.7	146.2	179.1	-59.7	171.1	66.1	-137.8	-9.6	108.2	I1498 Y1579 N1580 E1638 H1639 N1671 N1672	I1498-R1592 WeakPolarHBondContact CA-O 3.39Å; I1498-R1592 HydrophobicContact CG2-CB 4Å; Y1579-R1592 VanDerWaalsContact O-CD 3.28Å; Y1579-R1592 WeakPolarHBondContact O-CD 3.39Å; Y1579-R1592 WeakPolarHBondContact O-CG 3.4Å; Y1579-R1592 PolarHBondContact O-NE 3.11Å; Y1579-R1592 VanDerWaalsContact O-NE 3.08Å; N1580-R1592 PolarHBondContact O-NH1 3.21Å; R1592-E1638 IonicContact CZ-OE2 3.46Å; R1592-E1638 IonicContact NH1-OE2 3.37Å; R1592-E1638 PolarHBondContact NH1-OE2 3.05Å; R1592-H1639 PolarHBondContact NH1-O 3.12Å; R1592-H1639 VanDerWaalsContact NH1-O 3.14Å; R1592-H1639 PolarHBondContact NH2-O 3.21Å; R1592-N1671 VanDerWaalsContact NH2-C 3.32Å; R1592-N1671 VanDerWaalsContact NH2-CB 3.29Å; R1592-N1671 PolarHBondContact NH2-O 3.13Å; R1592-N1672 PolarHBondContact NE-OD1 3.35Å; R1592-N1672 PolarHBondContact NH2-OD1 3.15Å
1593	N	88.2	Confident	87.2	Confident	5.4 Å²	5.4	32.5 Å²	32.5	3%	0.029	15%	0.153	C	C	.	.			trans	-112.6	156.6	167.4	-71.4	97.6	0	0	0	111.1	R1318 I1498 F1500 P1558 H1595 E1596 S1641	R1318-N1593 PolarHBondContact NH1-OD1 2.87Å; R1318-N1593 PolarHBondContact NH2-OD1 3.28Å; I1498-N1593 CarbonylContact O-C 3.54Å; I1498-N1593 VanDerWaalsContact O-CA 3.28Å; I1498-N1593 WeakPolarHBondContact O-CA 3.38Å; F1500-N1593 PolarHBondContact O-ND2 2.85Å; P1558-N1593 HydrophobicContact CG-CB 3.81Å; P1558-N1593 VanDerWaalsContact CG-CG 3.44Å; P1558-N1593 WeakPolarHBondContact CG-OD1 3.44Å; N1593-H1595 PolarHBondContact O-N 2.92Å; N1593-E1596 HydrophobicContact CB-CG 3.77Å; N1593-E1596 PolarHBondContact N-OE1 3.21Å; N1593-E1596 PolarHBondContact OD1-OE1 3.09Å; N1593-S1641 VanDerWaalsContact O-CB 3.24Å; N1593-S1641 WeakPolarHBondContact O-CB 3.32Å; N1593-S1641 PolarHBondContact O-OG 3.09Å
1594	E	85.1	Confident	88.2	Confident	48.2 Å²	48.2	34.2 Å²	34.2	23%	0.225	16%	0.161	C	C	.	.	S	Bend	trans	-58.2	-35.6	176	-170.8	-174.4	-164.5	0	0	112.2	I1498 S1555 S1641 F1642 Y1731	I1498-E1594 HydrophobicContact CD1-CB 4.1Å; I1498-E1594 HydrophobicContact CD1-CG 4.22Å; I1498-E1594 HydrophobicContact CG1-CB 4.22Å; I1498-E1594 PolarHBondContact O-N 2.96Å; S1555-E1594 PolarHBondContact OG-OE2 2.9Å; E1594-S1641 CarbonylContact O-C 3.55Å; E1594-S1641 WeakPolarHBondContact O-CA 3.27Å; E1594-F1642 PolarHBondContact O-N 3.04Å; E1594-Y1731 PolarHBondContact OE1-OH 3.02Å
1595	H	87.6	Confident	89.3	Confident	47 Å²	47	33.4 Å²	33.4	22%	0.218	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131.3	175.5	-78.3	83	0	0	0	109.6	K1557 P1558 N1593 T1597 F1642	K1557-H1595 HydrophobicContact CD-CB 4.22Å; K1557-H1595 HydrophobicContact CG-CB 4.27Å; P1558-H1595 VanDerWaalsContact CD-O 3.26Å; P1558-H1595 WeakPolarHBondContact CD-O 3.35Å; P1558-H1595 VanDerWaalsContact CG-O 3.26Å; P1558-H1595 WeakPolarHBondContact CG-O 3.23Å; N1593-H1595 PolarHBondContact O-N 2.92Å; H1595-T1597 PolarHBondContact NE2-OG1 3.45Å; H1595-F1642 CarbonylContact C-O 3.55Å; H1595-F1642 VanDerWaalsContact CA-O 3.31Å; H1595-F1642 WeakPolarHBondContact CA-O 3.39Å; H1595-F1642 AromaticContact CD2-CD2 3.91Å; H1595-F1642 AromaticContact CD2-CG 3.98Å; H1595-F1642 AromaticContact CE1-CD1 3.08Å; H1595-F1642 WeakPolarHBondContact CE1-CD1 3.25Å; H1595-F1642 AromaticContact CE1-CD2 3.98Å; H1595-F1642 AromaticContact CE1-CE1 3.51Å; H1595-F1642 AromaticContact CE1-CG 3.97Å; H1595-F1642 AromaticContact ND1-CD1 3.29Å; H1595-F1642 VanDerWaalsContact ND1-CD1 3.29Å; H1595-F1642 WeakPolarHBondContact ND1-CD1 3.41Å; H1595-F1642 AromaticContact ND1-CG 3.79Å; H1595-F1642 AromaticContact NE2-CD2 3.67Å; H1595-F1642 AromaticContact NE2-CG 4Å
1596	E	91.6	Very high	90.5	Very high	4.6 Å²	4.6	30.4 Å²	30.4	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.9	172.3	-61.9	-172.5	-178.7	0	0	109.9	Y1316 R1318 P1558 H1578 N1593 F1598 F1642 N1644	Y1316-E1596 PolarHBondContact OH-OE1 2.8Å; Y1316-E1596 PolarHBondContact OH-OE2 2.82Å; R1318-E1596 IonicContact CZ-OE1 3.13Å; R1318-E1596 IonicContact NH1-OE1 2.72Å; R1318-E1596 PolarHBondContact NH1-OE1 2.86Å; R1318-E1596 IonicContact NH2-OE1 2.75Å; R1318-E1596 PolarHBondContact NH2-OE1 2.94Å; R1318-E1596 IonicContact NH2-OE2 3.9Å; R1318-E1596 PolarHBondContact NH2-OE2 2.8Å; P1558-E1596 HydrophobicContact CB-CG 4.38Å; P1558-E1596 HydrophobicContact CG-CG 4.23Å; H1578-E1596 IonicContact CE1-OE2 3.49Å; H1578-E1596 PolarHBondContact CE1-OE2 3.37Å; H1578-E1596 IonicContact ND1-OE2 3.14Å; N1593-E1596 HydrophobicContact CB-CG 3.77Å; N1593-E1596 PolarHBondContact N-OE1 3.21Å; N1593-E1596 PolarHBondContact OD1-OE1 3.09Å; E1596-F1598 HydrophobicContact CB-CD2 4.47Å; E1596-F1598 HydrophobicContact CB-CE2 3.78Å; E1596-F1598 WeakPolarHBondContact OE2-CE2 3.43Å; E1596-F1598 WeakPolarHBondContact OE2-CZ 3.45Å; E1596-F1642 PolarHBondContact N-O 3.33Å; E1596-N1644 PolarHBondContact O-N 3.07Å
1597	T	95	Very high	91.5	Very high	32.6 Å²	32.6	27.4 Å²	27.4	20%	0.2	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.5	177.3	-58.9	0	0	0	0	110.9	P1558 K1559 F1560 H1595 I1599 N1644	P1558-T1597 PolarHBondContact O-N 2.97Å; P1558-T1597 VanDerWaalsContact O-N 3.12Å; K1559-T1597 WeakPolarHBondContact CA-O 3.17Å; F1560-T1597 PolarHBondContact N-O 2.98Å; H1595-T1597 PolarHBondContact NE2-OG1 3.45Å; T1597-I1599 HydrophobicContact CG2-CD1 3.93Å; T1597-I1599 HydrophobicContact CG2-CG1 3.83Å; T1597-N1644 CarbonylContact C-O 3.57Å; T1597-N1644 WeakPolarHBondContact CA-O 3.33Å; T1597-N1644 HydrophobicContact CG2-CB 4.4Å
1598	F	97.6	Very high	92.2	Very high	0.8 Å²	0.8	24.3 Å²	24.3	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.6	177	-66.6	-98.8	0	0	0	109	Y1316 F1560 L1576 H1578 E1596 F1600 I1643 N1644 Y1645 N1646	Y1316-F1598 AromaticContact CD1-CE1 3.81Å; Y1316-F1598 HydrophobicContact CD1-CE1 3.81Å; Y1316-F1598 AromaticContact CD1-CZ 3.83Å; Y1316-F1598 HydrophobicContact CD1-CZ 3.88Å; Y1316-F1598 AromaticContact CE1-CE1 3.86Å; Y1316-F1598 HydrophobicContact CE1-CE1 3.94Å; Y1316-F1598 AromaticContact CE1-CZ 3.53Å; Y1316-F1598 HydrophobicContact CE1-CZ 3.53Å; Y1316-F1598 VanDerWaalsContact CE1-CZ 3.48Å; Y1316-F1598 HydrophobicContact CG-CE1 4.18Å; Y1316-F1598 HydrophobicContact CG-CZ 4.47Å; Y1316-F1598 AromaticContact CZ-CZ 3.75Å; F1560-F1598 HydrophobicContact CB-CD1 3.48Å; F1560-F1598 VanDerWaalsContact CB-CD1 3.47Å; F1560-F1598 HydrophobicContact CB-CE1 3.68Å; F1560-F1598 HydrophobicContact CB-CG 4.1Å; F1560-F1598 HydrophobicContact CB-CZ 4.42Å; F1560-F1598 AromaticContact CD1-CD1 3.65Å; F1560-F1598 HydrophobicContact CD1-CD1 3.65Å; F1560-F1598 HydrophobicContact CD1-CE1 4.2Å; F1560-F1598 HydrophobicContact CD2-CD1 4.2Å; F1560-F1598 AromaticContact CD2-CE1 3.88Å; F1560-F1598 HydrophobicContact CD2-CE1 3.91Å; F1560-F1598 HydrophobicContact CE1-CD1 4.4Å; F1560-F1598 HydrophobicContact CE2-CE1 4.43Å; F1560-F1598 AromaticContact CG-CD1 3.52Å; F1560-F1598 HydrophobicContact CG-CD1 3.52Å; F1560-F1598 AromaticContact CG-CE1 3.68Å; F1560-F1598 HydrophobicContact CG-CE1 3.68Å; F1560-F1598 CarbonylContact O-C 3.58Å; F1560-F1598 WeakPolarHBondContact O-CA 3.26Å; L1576-F1598 HydrophobicContact CD1-CD1 4.34Å; H1578-F1598 AromaticContact CE1-CE2 3.41Å; H1578-F1598 VanDerWaalsContact CE1-CE2 3.43Å; H1578-F1598 WeakPolarHBondContact CE1-CE2 3.35Å; H1578-F1598 AromaticContact CE1-CZ 3.51Å; H1578-F1598 VanDerWaalsContact CE1-CZ 3.49Å; H1578-F1598 WeakPolarHBondContact CE1-CZ 3.21Å; H1578-F1598 AromaticContact NE2-CE2 3.87Å; H1578-F1598 AromaticContact NE2-CZ 3.92Å; E1596-F1598 HydrophobicContact CB-CD2 4.47Å; E1596-F1598 HydrophobicContact CB-CE2 3.78Å; E1596-F1598 WeakPolarHBondContact OE2-CE2 3.43Å; E1596-F1598 WeakPolarHBondContact OE2-CZ 3.45Å; F1598-F1600 HydrophobicContact CB-CE2 4.18Å; F1598-I1643 HydrophobicContact CD2-CG2 4.3Å; F1598-I1643 HydrophobicContact CE2-CG2 4.25Å; F1598-N1644 PolarHBondContact N-O 3.09Å; F1598-Y1645 HydrophobicContact CB-CD1 3.57Å; F1598-Y1645 HydrophobicContact CB-CE1 3.5Å; F1598-Y1645 VanDerWaalsContact CB-CE1 3.47Å; F1598-Y1645 HydrophobicContact CB-CG 4.23Å; F1598-Y1645 HydrophobicContact CD1-CE1 4.24Å; F1598-Y1645 HydrophobicContact CD2-CE1 4.24Å; F1598-Y1645 HydrophobicContact CD2-CE2 4.24Å; F1598-Y1645 AromaticContact CD2-CZ 3.93Å; F1598-Y1645 HydrophobicContact CG-CD1 4.27Å; F1598-Y1645 AromaticContact CG-CE1 3.73Å; F1598-Y1645 HydrophobicContact CG-CE1 3.73Å; F1598-Y1645 HydrophobicContact CG-CE2 4.45Å; F1598-Y1645 AromaticContact CG-CZ 3.9Å; F1598-Y1645 CarbonylContact O-C 3.53Å; F1598-Y1645 WeakPolarHBondContact O-CA 3.36Å; F1598-N1646 PolarHBondContact O-N 3.02Å
1599	I	98.1	Very high	92.4	Very high	16.2 Å²	16.2	27.4 Å²	27.4	8%	0.083	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.7	-176.3	-60.1	173.2	0	0	0	108.9	K1559 F1560 Y1561 V1562 T1597 E1601 N1646	K1559-I1599 HydrophobicContact CD-CD1 4.08Å; K1559-I1599 VanDerWaalsContact CE-CD1 3.46Å; K1559-I1599 HydrophobicContact CG-CD1 4.3Å; F1560-I1599 PolarHBondContact O-N 3.08Å; Y1561-I1599 CarbonylContact C-O 3.55Å; Y1561-I1599 WeakPolarHBondContact CA-O 3.4Å; Y1561-I1599 HydrophobicContact CD2-CB 3.83Å; Y1561-I1599 HydrophobicContact CD2-CD1 4.45Å; Y1561-I1599 HydrophobicContact CD2-CG2 3.66Å; Y1561-I1599 HydrophobicContact CE2-CB 4.39Å; Y1561-I1599 HydrophobicContact CE2-CG2 3.7Å; V1562-I1599 PolarHBondContact N-O 2.9Å; T1597-I1599 HydrophobicContact CG2-CD1 3.93Å; T1597-I1599 HydrophobicContact CG2-CG1 3.83Å; I1599-E1601 HydrophobicContact CG2-CG 3.78Å; I1599-E1601 WeakPolarHBondContact CG2-OE1 3.28Å; I1599-N1646 CarbonylContact C-O 3.54Å; I1599-N1646 VanDerWaalsContact CA-O 3.32Å; I1599-N1646 WeakPolarHBondContact CA-O 3.39Å; I1599-N1646 HydrophobicContact CG1-CB 4.15Å; I1599-N1646 HydrophobicContact CG2-CB 4.44Å
1600	F	98.3	Very high	92.3	Very high	1 Å²	1	30 Å²	30	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.9	174.3	-64.7	-96	0	0	0	108.1	L1314 F1560 V1562 V1574 L1576 F1598 V1603 M1613 Y1645 N1646 I1647 T1648	L1314-F1600 HydrophobicContact CD2-CE1 4.4Å; F1560-F1600 HydrophobicContact CD1-CZ 4.34Å; F1560-F1600 HydrophobicContact CE1-CE1 4.36Å; F1560-F1600 AromaticContact CE1-CZ 3.91Å; F1560-F1600 HydrophobicContact CE1-CZ 3.93Å; V1562-F1600 HydrophobicContact CB-CD1 3.73Å; V1562-F1600 HydrophobicContact CB-CE1 4Å; V1562-F1600 HydrophobicContact CB-CG 4.48Å; V1562-F1600 HydrophobicContact CG1-CD1 4.25Å; V1562-F1600 HydrophobicContact CG1-CE1 4.49Å; V1562-F1600 HydrophobicContact CG2-CD1 3.99Å; V1562-F1600 HydrophobicContact CG2-CE1 3.71Å; V1562-F1600 HydrophobicContact CG2-CZ 4.4Å; V1562-F1600 CarbonylContact O-C 3.53Å; V1562-F1600 WeakPolarHBondContact O-CA 3.24Å; V1574-F1600 HydrophobicContact CG1-CE1 4.13Å; V1574-F1600 HydrophobicContact CG1-CZ 4.08Å; V1574-F1600 HydrophobicContact CG2-CE1 4.31Å; L1576-F1600 HydrophobicContact CD1-CE2 4.19Å; L1576-F1600 HydrophobicContact CD1-CZ 4Å; F1598-F1600 HydrophobicContact CB-CE2 4.18Å; F1600-V1603 HydrophobicContact CB-CG2 4.11Å; F1600-V1603 HydrophobicContact CD1-CG2 4.28Å; F1600-M1613 HydrophobicContact CB-CE 4.15Å; F1600-M1613 HydrophobicContact CD1-CE 3.92Å; F1600-M1613 HydrophobicContact CD2-CE 4.04Å; F1600-M1613 HydrophobicContact CE1-CE 4.03Å; F1600-M1613 HydrophobicContact CE2-CE 3.88Å; F1600-M1613 HydrophobicContact CG-CE 3.99Å; F1600-M1613 HydrophobicContact CZ-CE 3.89Å; F1600-Y1645 HydrophobicContact CE2-CD1 4.44Å; F1600-Y1645 HydrophobicContact CE2-CE1 4.33Å; F1600-N1646 PolarHBondContact N-O 3.35Å; F1600-I1647 HydrophobicContact CB-CG2 4.44Å; F1600-I1647 HydrophobicContact CD2-CG1 4.35Å; F1600-T1648 PolarHBondContact O-N 2.92Å
1601	E	97.7	Very high	92.4	Very high	61.8 Å²	61.8	29.7 Å²	29.7	29%	0.289	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.5	-177.3	-84	173	-177.9	0	0	110.6	Y1561 V1562 E1563 N1564 I1599 V1603 T1648	Y1561-E1601 HydrophobicContact CE2-CG 4.29Å; Y1561-E1601 WeakPolarHBondContact CE2-OE2 3.38Å; Y1561-E1601 PolarHBondContact OH-OE2 3.04Å; V1562-E1601 PolarHBondContact O-N 3.01Å; E1563-E1601 CarbonylContact C-O 3.45Å; E1563-E1601 VanDerWaalsContact CA-O 3.25Å; E1563-E1601 WeakPolarHBondContact CA-O 3.35Å; E1563-E1601 HydrophobicContact CG-CB 4.23Å; N1564-E1601 PolarHBondContact N-O 3.1Å; I1599-E1601 HydrophobicContact CG2-CG 3.78Å; I1599-E1601 WeakPolarHBondContact CG2-OE1 3.28Å; E1601-V1603 VanDerWaalsContact C-N 3.25Å; E1601-V1603 WeakPolarHBondContact O-CG2 3.29Å; E1601-V1603 PolarHBondContact O-N 3.02Å; E1601-T1648 VanDerWaalsContact CA-O 3.31Å; E1601-T1648 WeakPolarHBondContact CA-O 3.31Å; E1601-T1648 WeakPolarHBondContact CA-OG1 3.31Å; E1601-T1648 VanDerWaalsContact CB-OG1 3.28Å; E1601-T1648 WeakPolarHBondContact CB-OG1 2.92Å; E1601-T1648 VanDerWaalsContact CG-OG1 3.25Å; E1601-T1648 WeakPolarHBondContact CG-OG1 3.37Å
1602	N	97.7	Very high	92.6	Very high	65 Å²	65	28.9 Å²	28.9	35%	0.348	14%	0.139	S	C	.	.	S	Bend	trans	54.6	36.5	178.9	-53	-34	0	0	0	113.5	N1564 T1648 N1649	N1564-N1602 WeakPolarHBondContact CA-O 3.32Å; N1564-N1602 WeakPolarHBondContact OD1-CB 3.27Å; N1564-N1602 PolarHBondContact OD1-ND2 3.05Å; N1564-N1602 VanDerWaalsContact OD1-ND2 3.12Å; N1602-T1648 PolarHBondContact N-O 3.31Å; N1602-T1648 VanDerWaalsContact N-O 3.1Å; N1602-N1649 WeakPolarHBondContact CA-O 3.38Å; N1602-N1649 WeakPolarHBondContact OD1-CB 3.35Å; N1602-N1649 PolarHBondContact OD1-ND2 2.97Å
1603	V	97.8	Very high	92.9	Very high	0.8 Å²	0.8	28.2 Å²	28.2	1%	0.005	14%	0.137	C	C	.	.			trans	-91.8	133.8	-178.1	-175.5	0	0	0	0	110.5	V1562 T1565 L1567 F1600 E1601 I1605 C1650 E1651	V1562-V1603 HydrophobicContact CB-CG2 4.34Å; V1562-V1603 HydrophobicContact CG1-CG2 3.82Å; T1565-V1603 WeakPolarHBondContact O-CA 3.32Å; T1565-V1603 WeakPolarHBondContact O-CG1 3.26Å; L1567-V1603 HydrophobicContact CD1-CG1 3.7Å; F1600-V1603 HydrophobicContact CB-CG2 4.11Å; F1600-V1603 HydrophobicContact CD1-CG2 4.28Å; E1601-V1603 VanDerWaalsContact C-N 3.25Å; E1601-V1603 WeakPolarHBondContact O-CG2 3.29Å; E1601-V1603 PolarHBondContact O-N 3.02Å; V1603-I1605 HydrophobicContact CG1-CD1 4.28Å; V1603-I1605 HydrophobicContact CG1-CG1 3.91Å; V1603-C1650 HydrophobicContact CB-CB 4.47Å; V1603-C1650 PolarHBondContact N-SG 3Å; V1603-C1650 VanDerWaalsContact N-SG 3.4Å; V1603-C1650 CarbonylContact O-C 3.54Å; V1603-C1650 VanDerWaalsContact O-CA 3.24Å; V1603-C1650 WeakPolarHBondContact O-CA 3.38Å; V1603-C1650 VanDerWaalsContact O-CB 3.27Å; V1603-C1650 WeakPolarHBondContact O-CB 3.33Å; V1603-E1651 PolarHBondContact O-N 3.05Å
1604	Q	97.4	Very high	93.1	Very high	54.6 Å²	54.6	28.3 Å²	28.3	26%	0.255	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.6	177	-64.7	-178.3	-18.3	0	0	110	T1565 R1566 L1567 R1606 E1651	T1565-Q1604 PolarHBondContact O-N 2.96Å; R1566-Q1604 CarbonylContact C-O 3.56Å; R1566-Q1604 WeakPolarHBondContact CA-O 3.29Å; R1566-Q1604 HydrophobicContact CG-CB 4.32Å; L1567-Q1604 PolarHBondContact N-O 3.17Å; Q1604-R1606 HydrophobicContact CB-CG 4.45Å; Q1604-R1606 VanDerWaalsContact CD-NH2 3.31Å; Q1604-R1606 VanDerWaalsContact NE2-NH2 3.15Å; Q1604-E1651 HydrophobicContact CG-CB 4.47Å; Q1604-E1651 PolarHBondContact NE2-OE2 3.13Å
1605	I	96.7	Very high	93.5	Very high	1.4 Å²	1.4	26 Å²	26	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	101.4	-178.4	-58	-179	0	0	0	108.6	L1567 V1574 V1603 N1608 G1612 M1613 E1651 F1652 I1653 N1655	L1567-I1605 HydrophobicContact CB-CG1 4.37Å; L1567-I1605 HydrophobicContact CD1-CD1 4.41Å; L1567-I1605 HydrophobicContact CD1-CG1 4.04Å; L1567-I1605 WeakPolarHBondContact O-CA 3.26Å; V1574-I1605 HydrophobicContact CG2-CD1 3.99Å; V1603-I1605 HydrophobicContact CG1-CD1 4.28Å; V1603-I1605 HydrophobicContact CG1-CG1 3.91Å; I1605-N1608 VanDerWaalsContact CG2-ND2 3.27Å; I1605-N1608 WeakPolarHBondContact CG2-ND2 3.34Å; I1605-G1612 VanDerWaalsContact CG2-CA 3.41Å; I1605-G1612 WeakPolarHBondContact CG2-O 3.37Å; I1605-M1613 HydrophobicContact CD1-CE 3.66Å; I1605-M1613 HydrophobicContact CD1-CG 3.55Å; I1605-M1613 HydrophobicContact CD1-SD 4.03Å; I1605-E1651 PolarHBondContact N-O 3.01Å; I1605-F1652 HydrophobicContact CB-CD1 4.12Å; I1605-F1652 HydrophobicContact CB-CE1 4.34Å; I1605-F1652 HydrophobicContact CD1-CD1 4.35Å; I1605-F1652 HydrophobicContact CD1-CE1 3.69Å; I1605-F1652 HydrophobicContact CD1-CZ 3.96Å; I1605-F1652 HydrophobicContact CG1-CE1 4.47Å; I1605-F1652 HydrophobicContact CG2-CD1 4.3Å; I1605-F1652 HydrophobicContact CG2-CE1 4.36Å; I1605-F1652 WeakPolarHBondContact O-CA 3.34Å; I1605-I1653 PolarHBondContact O-N 3.18Å; I1605-I1653 VanDerWaalsContact O-N 3.08Å; I1605-N1655 PolarHBondContact O-ND2 3.29Å
1606	R	95.1	Very high	93.5	Very high	56 Å²	56	24.9 Å²	24.9	21%	0.211	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.5	-165.6	-51.6	-175.3	134.9	147.8	-3.5	114.4	L1567 E1568 N1569 Q1604 N1608 E1651 I1653	L1567-R1606 PolarHBondContact O-N 2.96Å; E1568-R1606 VanDerWaalsContact CA-O 3.24Å; E1568-R1606 WeakPolarHBondContact CA-O 3.18Å; E1568-R1606 HydrophobicContact CG-CB 4.11Å; E1568-R1606 WeakPolarHBondContact CG-O 3.27Å; E1568-R1606 VanDerWaalsContact OE1-CD 3.3Å; E1568-R1606 WeakPolarHBondContact OE1-CD 3.26Å; E1568-R1606 IonicContact OE1-NH1 3.19Å; E1568-R1606 PolarHBondContact OE1-NH1 3.3Å; N1569-R1606 PolarHBondContact N-O 3.14Å; N1569-R1606 VanDerWaalsContact N-O 3.13Å; Q1604-R1606 HydrophobicContact CB-CG 4.45Å; Q1604-R1606 VanDerWaalsContact CD-NH2 3.31Å; Q1604-R1606 VanDerWaalsContact NE2-NH2 3.15Å; R1606-N1608 PolarHBondContact N-ND2 3.01Å; R1606-N1608 PolarHBondContact O-N 3Å; R1606-N1608 VanDerWaalsContact O-N 3.09Å; R1606-N1608 PolarHBondContact O-ND2 3.14Å; R1606-E1651 IonicContact CZ-OE2 3.45Å; R1606-E1651 IonicContact NH1-OE2 2.68Å; R1606-E1651 IonicContact NH2-OE2 3.05Å; R1606-E1651 PolarHBondContact NH2-OE2 3.15Å; R1606-I1653 CarbonylContact C-O 3.53Å; R1606-I1653 WeakPolarHBondContact CA-O 3.34Å; R1606-I1653 HydrophobicContact CB-CB 4.48Å; R1606-I1653 HydrophobicContact CG-CB 4.05Å; R1606-I1653 HydrophobicContact CG-CG1 4.29Å
1607	N	93	Very high	93.2	Very high	61.2 Å²	61.2	24.9 Å²	24.9	33%	0.327	12%	0.122	S	C	.	.	S	Bend	trans	53.2	30.1	170.4	-56	-28.7	0	0	0	114	E1568 N1569 I1653 H1654	E1568-N1607 HydrophobicContact CG-CB 4.15Å; E1568-N1607 PolarHBondContact OE1-ND2 3.11Å; N1569-N1607 VanDerWaalsContact CA-O 3.32Å; N1569-N1607 WeakPolarHBondContact CA-O 3.2Å; N1569-N1607 VanDerWaalsContact OD1-CB 3.27Å; N1569-N1607 WeakPolarHBondContact OD1-CB 3.39Å; N1607-I1653 PolarHBondContact N-O 2.87Å; N1607-H1654 VanDerWaalsContact CA-O 3.29Å; N1607-H1654 WeakPolarHBondContact CA-O 3.41Å; N1607-H1654 PolarHBondContact N-O 2.95Å; N1607-H1654 WeakPolarHBondContact OD1-CB 3.35Å; N1607-H1654 PolarHBondContact OD1-ND1 2.96Å
1608	N	91.2	Very high	92.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.			trans	-80.8	140.8	179	-59.8	-74.5	0	0	0	110.3	L1567 N1570 I1605 R1606 Y1610 N1655 N1656	L1567-N1608 PolarHBondContact O-ND2 2.91Å; N1570-N1608 WeakPolarHBondContact CB-OD1 3.31Å; N1570-N1608 PolarHBondContact N-OD1 3.09Å; N1570-N1608 VanDerWaalsContact N-OD1 3.1Å; N1570-N1608 PolarHBondContact ND2-OD1 2.75Å; N1570-N1608 CarbonylContact O-C 3.44Å; N1570-N1608 WeakPolarHBondContact O-CA 3.38Å; N1570-N1608 WeakPolarHBondContact O-CB 3.35Å; N1570-N1608 PolarHBondContact O-OD1 2.9Å; I1605-N1608 VanDerWaalsContact CG2-ND2 3.27Å; I1605-N1608 WeakPolarHBondContact CG2-ND2 3.34Å; R1606-N1608 PolarHBondContact N-ND2 3.01Å; R1606-N1608 PolarHBondContact O-N 3Å; R1606-N1608 VanDerWaalsContact O-N 3.09Å; R1606-N1608 PolarHBondContact O-ND2 3.14Å; N1608-Y1610 VanDerWaalsContact C-N 3.27Å; N1608-Y1610 PolarHBondContact O-N 3.2Å; N1608-N1655 WeakPolarHBondContact CB-OD1 3.34Å; N1608-N1655 PolarHBondContact N-OD1 2.9Å; N1608-N1655 PolarHBondContact ND2-OD1 3.13Å; N1608-N1656 PolarHBondContact O-N 3.11Å; N1608-N1656 VanDerWaalsContact O-N 3.15Å
1609	L	86	Confident	91.4	Very high	78.8 Å²	78.8	24.4 Å²	24.4	41%	0.413	12%	0.119	S	C	.	.	S	Bend	trans	-69.6	-22.3	-170.9	-62	173.5	0	0	0	113.4	N1570 L1571 N1656 I1693	N1570-L1609 PolarHBondContact O-N 2.97Å; L1571-L1609 HydrophobicContact CD1-CB 4.14Å; L1571-L1609 PolarHBondContact O-N 3.13Å; L1609-N1656 VanDerWaalsContact O-CB 3.26Å; L1609-N1656 WeakPolarHBondContact O-CB 3.3Å; L1609-N1656 PolarHBondContact O-ND2 3.03Å; L1609-N1656 VanDerWaalsContact O-ND2 3.14Å; L1609-I1693 HydrophobicContact CD2-CD1 4.27Å
1610	Y	83.7	Confident	90	Very high	54 Å²	54	25.7 Å²	25.7	21%	0.212	13%	0.125	C	C	.	.	S	Bend	trans	-118.8	-107.1	175.6	-167.5	-116	0	0	0	110.8	L1571 I1572 N1608 N1656 Y1657 L1661 Y1709	L1571-Y1610 WeakPolarHBondContact O-CA 3.39Å; L1571-Y1610 VanDerWaalsContact O-CB 3.28Å; L1571-Y1610 WeakPolarHBondContact O-CB 3.38Å; L1571-Y1610 PolarHBondContact O-N 3.03Å; I1572-Y1610 HydrophobicContact CD1-CD1 4.16Å; I1572-Y1610 HydrophobicContact CG1-CD1 4.01Å; N1608-Y1610 VanDerWaalsContact C-N 3.27Å; N1608-Y1610 PolarHBondContact O-N 3.2Å; Y1610-N1656 PolarHBondContact O-N 3.21Å; Y1610-Y1657 HydrophobicContact CD2-CD1 4.17Å; Y1610-Y1657 AromaticContact CD2-CD2 3.59Å; Y1610-Y1657 HydrophobicContact CD2-CD2 3.59Å; Y1610-Y1657 VanDerWaalsContact CD2-CD2 3.48Å; Y1610-Y1657 HydrophobicContact CD2-CE2 4.06Å; Y1610-Y1657 AromaticContact CD2-CG 3.57Å; Y1610-Y1657 HydrophobicContact CD2-CG 3.57Å; Y1610-Y1657 VanDerWaalsContact CD2-CG 3.46Å; Y1610-Y1657 HydrophobicContact CE1-CD1 4.4Å; Y1610-Y1657 AromaticContact CE2-CD1 3.68Å; Y1610-Y1657 HydrophobicContact CE2-CD1 3.76Å; Y1610-Y1657 AromaticContact CE2-CD2 3.67Å; Y1610-Y1657 HydrophobicContact CE2-CD2 3.92Å; Y1610-Y1657 AromaticContact CE2-CE1 3.86Å; Y1610-Y1657 HydrophobicContact CE2-CE1 4.14Å; Y1610-Y1657 AromaticContact CE2-CE2 3.86Å; Y1610-Y1657 HydrophobicContact CE2-CE2 4.04Å; Y1610-Y1657 AromaticContact CE2-CG 3.58Å; Y1610-Y1657 HydrophobicContact CE2-CG 3.58Å; Y1610-Y1657 VanDerWaalsContact CE2-CG 3.46Å; Y1610-Y1657 AromaticContact CE2-CZ 4Å; Y1610-Y1657 HydrophobicContact CG-CD2 4.44Å; Y1610-Y1657 HydrophobicContact CG-CG 4.44Å; Y1610-Y1657 AromaticContact CZ-CD1 3.63Å; Y1610-Y1657 AromaticContact CZ-CE1 3.86Å; Y1610-Y1657 AromaticContact CZ-CG 3.94Å; Y1610-Y1657 WeakPolarHBondContact O-CA 3.32Å; Y1610-Y1657 WeakPolarHBondContact O-CB 3.41Å; Y1610-Y1657 PolarHBondContact O-N 2.67Å; Y1610-Y1657 WeakPolarHBondContact OH-CE1 3.23Å; Y1610-L1661 HydrophobicContact CE1-CD2 4.2Å; Y1610-Y1709 WeakPolarHBondContact OH-CB 3.48Å
1611	T	88.1	Confident	88.3	Confident	2.4 Å²	2.4	26.5 Å²	26.5	2%	0.015	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	152.8	-178.7	-168.9	0	0	0	0	112	I1572 G1573 M1613 N1614 G1658 L1661	I1572-T1611 WeakPolarHBondContact CA-O 3.44Å; I1572-T1611 HydrophobicContact CG1-CG2 4.43Å; I1572-T1611 HydrophobicContact CG2-CG2 4.09Å; G1573-T1611 PolarHBondContact N-O 3.23Å; G1573-T1611 VanDerWaalsContact N-O 3.13Å; T1611-M1613 PolarHBondContact OG1-O 3.23Å; T1611-N1614 HydrophobicContact CG2-CB 3.8Å; T1611-G1658 WeakPolarHBondContact CA-O 3.46Å; T1611-G1658 PolarHBondContact OG1-O 2.99Å; T1611-L1661 HydrophobicContact CG2-CB 4.27Å; T1611-L1661 HydrophobicContact CG2-CD2 4.43Å
1612	G	91	Very high	86.5	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-56.4	175.7	0	0	0	0	0	112.4	G1573 V1574 I1605 G1658 S1659	G1573-G1612 CarbonylContact C-O 3.46Å; G1573-G1612 WeakPolarHBondContact CA-O 3.44Å; G1573-G1612 PolarHBondContact N-O 3.08Å; V1574-G1612 PolarHBondContact N-O 3.04Å; I1605-G1612 VanDerWaalsContact CG2-CA 3.41Å; I1605-G1612 WeakPolarHBondContact CG2-O 3.37Å; G1612-G1658 PolarHBondContact N-O 3.12Å; G1612-G1658 VanDerWaalsContact N-O 3.12Å; G1612-S1659 CarbonylContact C-O 3.49Å; G1612-S1659 WeakPolarHBondContact CA-O 3.27Å; G1612-S1659 PolarHBondContact N-O 3.09Å
1613	M	94.4	Very high	84.5	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.6	177	-137.5	175.9	-165.4	0	0	110.5	V1574 L1576 F1600 I1605 T1611 I1615 Y1645 I1647 F1652 S1659 L1660 L1661	V1574-M1613 HydrophobicContact CB-CB 4.3Å; V1574-M1613 HydrophobicContact CB-CE 4.23Å; V1574-M1613 HydrophobicContact CB-CG 3.99Å; V1574-M1613 HydrophobicContact CG1-CE 4.29Å; V1574-M1613 HydrophobicContact CG1-CG 4.33Å; V1574-M1613 HydrophobicContact CG2-CE 4.31Å; V1574-M1613 HydrophobicContact CG2-CG 4.07Å; V1574-M1613 CarbonylContact O-C 3.54Å; V1574-M1613 VanDerWaalsContact O-CA 3.28Å; V1574-M1613 WeakPolarHBondContact O-CA 3.33Å; L1576-M1613 HydrophobicContact CD1-CE 3.84Å; L1576-M1613 VanDerWaalsContact CD1-CE 3.41Å; L1576-M1613 HydrophobicContact CG-CE 4.41Å; F1600-M1613 HydrophobicContact CB-CE 4.15Å; F1600-M1613 HydrophobicContact CD1-CE 3.92Å; F1600-M1613 HydrophobicContact CD2-CE 4.04Å; F1600-M1613 HydrophobicContact CE1-CE 4.03Å; F1600-M1613 HydrophobicContact CE2-CE 3.88Å; F1600-M1613 HydrophobicContact CG-CE 3.99Å; F1600-M1613 HydrophobicContact CZ-CE 3.89Å; I1605-M1613 HydrophobicContact CD1-CE 3.66Å; I1605-M1613 HydrophobicContact CD1-CG 3.55Å; I1605-M1613 HydrophobicContact CD1-SD 4.03Å; T1611-M1613 PolarHBondContact OG1-O 3.23Å; M1613-I1615 HydrophobicContact CE-CD1 3.92Å; M1613-I1615 HydrophobicContact CE-CG1 4.07Å; M1613-I1615 HydrophobicContact CG-CD1 4.48Å; M1613-I1615 HydrophobicContact CG-CG1 4.28Å; M1613-I1615 HydrophobicContact SD-CD1 4.26Å; M1613-I1615 HydrophobicContact SD-CG1 4.46Å; M1613-Y1645 HydrophobicContact CE-CD1 4.27Å; M1613-Y1645 HydrophobicContact CE-CE1 3.86Å; M1613-I1647 HydrophobicContact CE-CD1 4.35Å; M1613-I1647 HydrophobicContact SD-CD1 3.9Å; M1613-F1652 HydrophobicContact CB-CE1 4.16Å; M1613-F1652 HydrophobicContact CE-CE1 4.48Å; M1613-F1652 HydrophobicContact CE-CZ 3.91Å; M1613-F1652 HydrophobicContact CG-CE1 3.81Å; M1613-F1652 HydrophobicContact CG-CZ 4.1Å; M1613-F1652 HydrophobicContact SD-CE1 4.1Å; M1613-F1652 HydrophobicContact SD-CZ 3.75Å; M1613-S1659 PolarHBondContact N-O 2.95Å; M1613-L1660 HydrophobicContact CB-CD1 3.75Å; M1613-L1660 HydrophobicContact CB-CD2 3.67Å; M1613-L1660 HydrophobicContact CG-CD1 3.75Å; M1613-L1660 HydrophobicContact CG-CD2 3.97Å; M1613-L1660 WeakPolarHBondContact O-CA 3.31Å; M1613-L1660 HydrophobicContact SD-CD1 3.84Å; M1613-L1660 HydrophobicContact SD-CD2 3.75Å; M1613-L1661 PolarHBondContact O-N 3.14Å
1614	N	92.6	Very high	82.3	Confident	6.6 Å²	6.6	30.7 Å²	30.7	4%	0.035	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.4	174.6	-168.8	-5.6	0	0	0	110.2	I1572 V1574 K1575 L1576 T1611 I1616 L1661	I1572-N1614 HydrophobicContact CG2-CB 4.24Å; V1574-N1614 PolarHBondContact O-N 2.95Å; K1575-N1614 CarbonylContact C-O 3.52Å; K1575-N1614 WeakPolarHBondContact CA-O 3.3Å; K1575-N1614 HydrophobicContact CG-CB 4.45Å; L1576-N1614 PolarHBondContact N-O 2.92Å; T1611-N1614 HydrophobicContact CG2-CB 3.8Å; N1614-I1616 VanDerWaalsContact OD1-CG1 3.23Å; N1614-I1616 WeakPolarHBondContact OD1-CG1 3.32Å; N1614-L1661 CarbonylContact C-O 3.53Å; N1614-L1661 VanDerWaalsContact CA-O 3.3Å; N1614-L1661 WeakPolarHBondContact CA-O 3.38Å; N1614-L1661 PolarHBondContact OD1-O 3.08Å
1615	I	92.8	Very high	80	Confident	0.2 Å²	0.2	38.7 Å²	38.7	0%	0.001	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.2	178	-56.5	173.8	0	0	0	107.5	L1576 M1613 Y1645 L1660 L1661 I1662 E1663 W1674 Y1676	L1576-I1615 HydrophobicContact CD1-CD1 4.43Å; L1576-I1615 HydrophobicContact CD1-CG1 4.25Å; L1576-I1615 WeakPolarHBondContact O-CA 3.27Å; M1613-I1615 HydrophobicContact CE-CD1 3.92Å; M1613-I1615 HydrophobicContact CE-CG1 4.07Å; M1613-I1615 HydrophobicContact CG-CD1 4.48Å; M1613-I1615 HydrophobicContact CG-CG1 4.28Å; M1613-I1615 HydrophobicContact SD-CD1 4.26Å; M1613-I1615 HydrophobicContact SD-CG1 4.46Å; I1615-Y1645 HydrophobicContact CD1-CD1 3.91Å; I1615-Y1645 HydrophobicContact CD1-CD2 4.35Å; I1615-Y1645 HydrophobicContact CD1-CE1 3.55Å; I1615-Y1645 VanDerWaalsContact CD1-CE1 3.45Å; I1615-Y1645 HydrophobicContact CD1-CE2 4.07Å; I1615-Y1645 HydrophobicContact CD1-CG 4.31Å; I1615-Y1645 HydrophobicContact CG1-CE1 4.27Å; I1615-Y1645 HydrophobicContact CG2-CE2 4.12Å; I1615-Y1645 WeakPolarHBondContact CG2-OH 3.28Å; I1615-L1660 HydrophobicContact CD1-CD1 4.05Å; I1615-L1660 HydrophobicContact CG1-CD1 4.46Å; I1615-L1661 PolarHBondContact N-O 3.12Å; I1615-I1662 HydrophobicContact CB-CG1 4.1Å; I1615-I1662 HydrophobicContact CB-CG2 4.35Å; I1615-I1662 HydrophobicContact CD1-CD1 4.45Å; I1615-I1662 HydrophobicContact CD1-CG1 4.07Å; I1615-I1662 HydrophobicContact CG1-CG1 4.4Å; I1615-I1662 HydrophobicContact CG2-CG2 4.44Å; I1615-I1662 CarbonylContact O-C 3.54Å; I1615-I1662 WeakPolarHBondContact O-CA 3.3Å; I1615-E1663 PolarHBondContact O-N 2.96Å; I1615-W1674 HydrophobicContact CG2-CH2 4.43Å; I1615-W1674 HydrophobicContact CG2-CZ3 4.11Å; I1615-Y1676 HydrophobicContact CD1-CE1 3.96Å
1616	I	88.2	Confident	77.8	Confident	23.8 Å²	23.8	45.5 Å²	45.5	12%	0.122	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.4	-169.9	-53.6	172.4	0	0	0	109.4	K1575 L1576 Y1577 H1578 N1614 V1618 E1663	K1575-I1616 HydrophobicContact CG-CD1 4.22Å; L1576-I1616 PolarHBondContact O-N 3.13Å; Y1577-I1616 CarbonylContact C-O 3.56Å; Y1577-I1616 WeakPolarHBondContact CA-O 3.25Å; Y1577-I1616 HydrophobicContact CD1-CB 4.11Å; Y1577-I1616 HydrophobicContact CD1-CD1 4.24Å; Y1577-I1616 HydrophobicContact CD1-CG2 4.26Å; Y1577-I1616 HydrophobicContact CE1-CB 4.38Å; Y1577-I1616 HydrophobicContact CE1-CD1 3.72Å; Y1577-I1616 HydrophobicContact CE1-CG2 4.38Å; Y1577-I1616 HydrophobicContact CE2-CD1 4.47Å; H1578-I1616 PolarHBondContact N-O 2.97Å; N1614-I1616 VanDerWaalsContact OD1-CG1 3.23Å; N1614-I1616 WeakPolarHBondContact OD1-CG1 3.32Å; I1616-V1618 HydrophobicContact CG2-CG2 3.93Å; I1616-E1663 CarbonylContact C-O 3.36Å; I1616-E1663 WeakPolarHBondContact CA-O 3.36Å
1617	S	84.7	Confident	75.8	Confident	4.4 Å²	4.4	47.2 Å²	47.2	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.4	167.5	-173.1	0	0	0	0	111.5	H1578 N1580 E1663 H1664 N1665	H1578-S1617 CarbonylContact O-C 3.56Å; H1578-S1617 VanDerWaalsContact O-CA 3.28Å; H1578-S1617 WeakPolarHBondContact O-CA 3.33Å; H1578-S1617 PolarHBondContact O-OG 3.04Å; N1580-S1617 PolarHBondContact ND2-OG 2.85Å; S1617-E1663 PolarHBondContact N-O 2.97Å; S1617-H1664 VanDerWaalsContact CB-CG 3.46Å; S1617-H1664 VanDerWaalsContact CB-ND1 3.33Å; S1617-H1664 WeakPolarHBondContact CB-ND1 3.26Å; S1617-H1664 PolarHBondContact OG-CE1 3.31Å; S1617-H1664 PolarHBondContact OG-ND1 3.06Å; S1617-N1665 VanDerWaalsContact O-CB 3.28Å; S1617-N1665 WeakPolarHBondContact O-CB 3.25Å; S1617-N1665 PolarHBondContact O-N 2.83Å; S1617-N1665 VanDerWaalsContact O-N 3.13Å
1618	V	80.9	Confident	74	Confident	16.6 Å²	16.6	44.9 Å²	44.9	10%	0.101	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.1	-173.4	-177.3	0	0	0	0	109.9	Y1577 H1578 Y1579 N1580 I1616 T1622	Y1577-V1618 HydrophobicContact CD1-CG2 3.88Å; Y1577-V1618 HydrophobicContact CE1-CG2 4.44Å; H1578-V1618 PolarHBondContact O-N 2.98Å; Y1579-V1618 WeakPolarHBondContact CA-O 3.26Å; Y1579-V1618 HydrophobicContact CD1-CB 3.72Å; Y1579-V1618 HydrophobicContact CD1-CG1 3.89Å; Y1579-V1618 HydrophobicContact CE1-CB 3.74Å; Y1579-V1618 HydrophobicContact CE1-CG1 3.7Å; Y1579-V1618 HydrophobicContact CE1-CG2 4.32Å; N1580-V1618 PolarHBondContact N-O 2.96Å; N1580-V1618 VanDerWaalsContact N-O 3.16Å; N1580-V1618 PolarHBondContact ND2-O 3.07Å; I1616-V1618 HydrophobicContact CG2-CG2 3.93Å; V1618-T1622 HydrophobicContact CG1-CG2 4Å; V1618-T1622 VanDerWaalsContact CG1-OG1 3.22Å; V1618-T1622 WeakPolarHBondContact CG1-OG1 3.3Å
1619	T	74.2	Confident	72.3	Confident	5.8 Å²	5.8	49.3 Å²	49.3	4%	0.036	24%	0.241	C	C	.	.			trans	-128.6	165.8	174.1	69.9	0	0	0	0	109.7	N1580 D1581 F1621 T1622 N1665 I1667	N1580-T1619 HydrophobicContact CB-CG2 4.03Å; N1580-T1619 WeakPolarHBondContact ND2-CG2 3.39Å; D1581-T1619 VanDerWaalsContact OD2-CA 3.29Å; D1581-T1619 WeakPolarHBondContact OD2-CA 3.37Å; D1581-T1619 VanDerWaalsContact OD2-CB 3.25Å; D1581-T1619 WeakPolarHBondContact OD2-CB 3.37Å; T1619-F1621 PolarHBondContact O-N 3.09Å; T1619-F1621 PolarHBondContact OG1-N 2.92Å; T1619-T1622 WeakPolarHBondContact O-CG2 3.28Å; T1619-T1622 PolarHBondContact O-N 3.08Å; T1619-T1622 VanDerWaalsContact O-N 3.09Å; T1619-T1622 PolarHBondContact O-OG1 3.04Å; T1619-T1622 VanDerWaalsContact O-OG1 3.09Å; T1619-T1622 PolarHBondContact OG1-N 3.4Å; T1619-N1665 HydrophobicContact CG2-CB 3.94Å; T1619-N1665 WeakPolarHBondContact CG2-ND2 3.39Å; T1619-N1665 PolarHBondContact OG1-ND2 3.02Å; T1619-I1667 VanDerWaalsContact CB-CD1 3.48Å; T1619-I1667 HydrophobicContact CG2-CD1 3.71Å; T1619-I1667 VanDerWaalsContact CG2-CD1 3.44Å; T1619-I1667 HydrophobicContact CG2-CG1 4.39Å; T1619-I1667 HydrophobicContact CG2-CG2 4.33Å; T1619-I1667 VanDerWaalsContact OG1-CD1 3.24Å; T1619-I1667 WeakPolarHBondContact OG1-CD1 3.35Å
1620	Q	68	Low	70.8	Confident	44.2 Å²	44.2	50.8 Å²	50.8	21%	0.207	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-13.3	176.1	64.9	176.5	-57.3	0	0	114.8	D1581 M1583 D1584 F1590	D1581-Q1620 HydrophobicContact CB-CB 4.11Å; D1581-Q1620 HydrophobicContact CB-CG 4.34Å; D1581-Q1620 PolarHBondContact OD1-NE2 3.07Å; D1581-Q1620 WeakPolarHBondContact OD2-CG 3.18Å; D1581-Q1620 PolarHBondContact OD2-N 2.95Å; M1583-Q1620 WeakPolarHBondContact O-CB 3.27Å; D1584-Q1620 HydrophobicContact CB-CB 4.33Å; F1590-Q1620 HydrophobicContact CE2-CB 4.5Å
1621	F	62.5	Low	69.5	Low	17.8 Å²	17.8	55.1 Å²	55.1	8%	0.078	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-3.4	-177.3	-49.4	-72.1	0	0	0	114.2	T1619 N1623 G1624 P1628 E1632 F1633 I1667 Y1669	T1619-F1621 PolarHBondContact O-N 3.09Å; T1619-F1621 PolarHBondContact OG1-N 2.92Å; F1621-N1623 VanDerWaalsContact C-N 3.27Å; F1621-N1623 PolarHBondContact O-N 3.11Å; F1621-N1623 VanDerWaalsContact O-N 3.09Å; F1621-G1624 PolarHBondContact O-N 3Å; F1621-G1624 VanDerWaalsContact O-O 3.1Å; F1621-P1628 HydrophobicContact CB-CG 4.08Å; F1621-P1628 HydrophobicContact CD1-CB 4.15Å; F1621-P1628 HydrophobicContact CD1-CG 3.69Å; F1621-P1628 HydrophobicContact CD2-CB 4.4Å; F1621-P1628 HydrophobicContact CD2-CG 3.87Å; F1621-P1628 HydrophobicContact CE1-CB 3.71Å; F1621-P1628 VanDerWaalsContact CE1-CB 3.5Å; F1621-P1628 HydrophobicContact CE1-CG 3.61Å; F1621-P1628 HydrophobicContact CE2-CB 4.2Å; F1621-P1628 HydrophobicContact CE2-CG 3.78Å; F1621-P1628 VanDerWaalsContact CE2-CG 3.46Å; F1621-P1628 HydrophobicContact CG-CB 4.4Å; F1621-P1628 HydrophobicContact CG-CG 3.82Å; F1621-P1628 HydrophobicContact CZ-CB 3.66Å; F1621-P1628 VanDerWaalsContact CZ-CB 3.46Å; F1621-P1628 HydrophobicContact CZ-CG 3.65Å; F1621-P1628 VanDerWaalsContact CZ-CG 3.42Å; F1621-E1632 HydrophobicContact CZ-CB 4.26Å; F1621-F1633 HydrophobicContact CD2-CD1 4.11Å; F1621-F1633 AromaticContact CD2-CD2 3.6Å; F1621-F1633 HydrophobicContact CD2-CD2 3.6Å; F1621-F1633 AromaticContact CD2-CE1 3.48Å; F1621-F1633 HydrophobicContact CD2-CE1 3.48Å; F1621-F1633 VanDerWaalsContact CD2-CE1 3.48Å; F1621-F1633 AromaticContact CD2-CE2 3.9Å; F1621-F1633 HydrophobicContact CD2-CE2 3.9Å; F1621-F1633 AromaticContact CD2-CZ 3.87Å; F1621-F1633 HydrophobicContact CD2-CZ 3.87Å; F1621-F1633 HydrophobicContact CE2-CB 4.47Å; F1621-F1633 AromaticContact CE2-CD1 3.77Å; F1621-F1633 HydrophobicContact CE2-CD1 3.77Å; F1621-F1633 AromaticContact CE2-CD2 3.47Å; F1621-F1633 HydrophobicContact CE2-CD2 3.47Å; F1621-F1633 VanDerWaalsContact CE2-CD2 3.47Å; F1621-F1633 AromaticContact CE2-CE1 3.64Å; F1621-F1633 HydrophobicContact CE2-CE1 3.64Å; F1621-F1633 HydrophobicContact CE2-CE2 4.24Å; F1621-F1633 HydrophobicContact CE2-CG 4.35Å; F1621-F1633 HydrophobicContact CE2-CZ 4.19Å; F1621-F1633 HydrophobicContact CZ-CD2 4.34Å; F1621-I1667 HydrophobicContact CB-CD1 3.94Å; F1621-I1667 HydrophobicContact CD2-CD1 3.77Å; F1621-I1667 VanDerWaalsContact CD2-CD1 3.43Å; F1621-I1667 HydrophobicContact CE2-CD1 4.27Å; F1621-I1667 HydrophobicContact CG-CD1 4.05Å; F1621-Y1669 WeakPolarHBondContact CE2-OH 3.44Å
1622	T	59.8	Low	68	Low	51.2 Å²	51.2	58.5 Å²	58.5	31%	0.314	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-31.3	-176.5	46.7	0	0	0	0	113.7	V1618 T1619 N1665 F1706	V1618-T1622 HydrophobicContact CG1-CG2 4Å; V1618-T1622 VanDerWaalsContact CG1-OG1 3.22Å; V1618-T1622 WeakPolarHBondContact CG1-OG1 3.3Å; T1619-T1622 WeakPolarHBondContact O-CG2 3.28Å; T1619-T1622 PolarHBondContact O-N 3.08Å; T1619-T1622 VanDerWaalsContact O-N 3.09Å; T1619-T1622 PolarHBondContact O-OG1 3.04Å; T1619-T1622 VanDerWaalsContact O-OG1 3.09Å; T1619-T1622 PolarHBondContact OG1-N 3.4Å; T1622-N1665 HydrophobicContact CG2-CB 4.27Å; T1622-N1665 VanDerWaalsContact CG2-CG 3.47Å; T1622-N1665 VanDerWaalsContact CG2-ND2 3.29Å; T1622-N1665 WeakPolarHBondContact CG2-ND2 3.41Å; T1622-F1706 VanDerWaalsContact O-CE1 3.3Å; T1622-F1706 WeakPolarHBondContact O-CE1 3.44Å; T1622-F1706 WeakPolarHBondContact O-CE2 3.38Å; T1622-F1706 WeakPolarHBondContact O-CZ 3.5Å
1623	N	56.4	Low	66.2	Low	136.2 Å²	136.2	60.3 Å²	60.3	73%	0.728	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	1.2	-175.8	-63.6	-10	0	0	0	113.3	F1621	F1621-N1623 VanDerWaalsContact C-N 3.27Å; F1621-N1623 PolarHBondContact O-N 3.11Å; F1621-N1623 VanDerWaalsContact O-N 3.09Å
1624	G	52	Low	64.2	Low	28 Å²	28	63.8 Å²	63.8	29%	0.289	30%	0.301	S	S	.	.			trans	-116.2	132	-175.3	0	0	0	0	0	113	F1621 F1626	F1621-G1624 PolarHBondContact O-N 3Å; F1621-G1624 VanDerWaalsContact O-O 3.1Å; G1624-F1626 PolarHBondContact O-N 2.92Å; G1624-F1626 VanDerWaalsContact O-N 3.09Å
1625	W	49.3	Very low	62.1	Low	224 Å²	224	67.5 Å²	67.5	85%	0.848	32%	0.318	S	S	*	.	S	Bend	trans	-66	-5.8	170.9	-74.7	57.1	0	0	0	113.6	H1627 S1703 S1705	W1625-H1627 PolarHBondContact O-N 3.02Å; W1625-H1627 PolarHBondContact O-ND1 3.1Å; W1625-S1703 VanDerWaalsContact CZ2-O 3.31Å; W1625-S1703 WeakPolarHBondContact CZ2-O 3.39Å; W1625-S1703 PolarHBondContact NE1-O 3.49Å; W1625-S1703 VanDerWaalsContact NE1-O 3.14Å; W1625-S1705 VanDerWaalsContact CD2-OG 3.31Å; W1625-S1705 WeakPolarHBondContact CZ3-OG 3.26Å
1626	F	49.9	Very low	60.3	Low	142.6 Å²	142.6	68.4 Å²	68.4	63%	0.625	32%	0.324	S	S	*	.	S	Bend	trans	-85.8	119.2	-177.4	-105.4	-85.4	0	0	0	111	R1585 G1624 E1632	R1585-F1626 VanDerWaalsContact CZ-CD1 3.43Å; R1585-F1626 VanDerWaalsContact NH1-CD2 3.26Å; R1585-F1626 PolarHBondContact NH1-O 2.85Å; R1585-F1626 PolarHBondContact NH2-O 2.76Å; G1624-F1626 PolarHBondContact O-N 2.92Å; G1624-F1626 VanDerWaalsContact O-N 3.09Å; F1626-E1632 WeakPolarHBondContact CE1-OE2 3.46Å
1627	H	52.7	Low	58.7	Low	92.8 Å²	92.8	71.4 Å²	71.4	43%	0.43	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-76.7	132	176.1	-65.2	13.3	0	0	0	110.4	R1585 W1625 M2174 L2193 Y2195 V2198	R1585-H1627 PolarHBondContact NH2-O 2.82Å; W1625-H1627 PolarHBondContact O-N 3.02Å; W1625-H1627 PolarHBondContact O-ND1 3.1Å; H1627-M2174 WeakPolarHBondContact CE1-CE 3.19Å; H1627-M2174 WeakPolarHBondContact NE2-CE 3.38Å; H1627-L2193 VanDerWaalsContact NE2-CD1 3.3Å; H1627-L2193 WeakPolarHBondContact NE2-CD1 3.5Å; H1627-Y2195 AromaticContact CD2-CE1 3.89Å; H1627-Y2195 PolarHBondContact CD2-O 3.45Å; H1627-V2198 VanDerWaalsContact NE2-CG2 3.33Å; H1627-V2198 WeakPolarHBondContact NE2-CG2 3.29Å
1628	P	54.9	Low	57.6	Low	11.6 Å²	11.6	72.5 Å²	72.5	8%	0.075	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-66.4	147.5	173.3	3.5	5.5	0	0	0	110.3	F1621 E1632 F1633	F1621-P1628 HydrophobicContact CB-CG 4.08Å; F1621-P1628 HydrophobicContact CD1-CB 4.15Å; F1621-P1628 HydrophobicContact CD1-CG 3.69Å; F1621-P1628 HydrophobicContact CD2-CB 4.4Å; F1621-P1628 HydrophobicContact CD2-CG 3.87Å; F1621-P1628 HydrophobicContact CE1-CB 3.71Å; F1621-P1628 VanDerWaalsContact CE1-CB 3.5Å; F1621-P1628 HydrophobicContact CE1-CG 3.61Å; F1621-P1628 HydrophobicContact CE2-CB 4.2Å; F1621-P1628 HydrophobicContact CE2-CG 3.78Å; F1621-P1628 VanDerWaalsContact CE2-CG 3.46Å; F1621-P1628 HydrophobicContact CG-CB 4.4Å; F1621-P1628 HydrophobicContact CG-CG 3.82Å; F1621-P1628 HydrophobicContact CZ-CB 3.66Å; F1621-P1628 VanDerWaalsContact CZ-CB 3.46Å; F1621-P1628 HydrophobicContact CZ-CG 3.65Å; F1621-P1628 VanDerWaalsContact CZ-CG 3.42Å; P1628-E1632 WeakPolarHBondContact CA-OE2 3.43Å; P1628-E1632 HydrophobicContact CB-CB 4.18Å; P1628-F1633 HydrophobicContact CB-CB 4.41Å; P1628-F1633 HydrophobicContact CB-CD2 3.75Å; P1628-F1633 HydrophobicContact CB-CE1 4.11Å; P1628-F1633 HydrophobicContact CB-CE2 3.59Å; P1628-F1633 VanDerWaalsContact CB-CE2 3.47Å; P1628-F1633 HydrophobicContact CB-CG 4.26Å; P1628-F1633 HydrophobicContact CB-CZ 3.89Å; P1628-F1633 VanDerWaalsContact CD-CE2 3.46Å; P1628-F1633 HydrophobicContact CG-CB 4.27Å; P1628-F1633 HydrophobicContact CG-CD2 3.92Å; P1628-F1633 HydrophobicContact CG-CE1 4.04Å; P1628-F1633 HydrophobicContact CG-CE2 3.77Å; P1628-F1633 VanDerWaalsContact CG-CE2 3.42Å; P1628-F1633 HydrophobicContact CG-CG 4.42Å; P1628-F1633 HydrophobicContact CG-CZ 3.73Å; P1628-F1633 VanDerWaalsContact CG-CZ 3.44Å; P1628-F1633 VanDerWaalsContact O-CE2 3.31Å; P1628-F1633 WeakPolarHBondContact O-CE2 3.29Å; P1628-F1633 WeakPolarHBondContact O-CZ 3.38Å
1629	N	56.8	Low	57.1	Low	93.6 Å²	93.6	73.2 Å²	73.2	50%	0.501	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-77.8	152	166	150.2	10.3	0	0	0	109.8	K1631 E1632 F1633	N1629-K1631 PolarHBondContact O-N 3.22Å; N1629-K1631 VanDerWaalsContact O-N 3.09Å; N1629-K1631 WeakPolarHBondContact OD1-CA 3.49Å; N1629-K1631 WeakPolarHBondContact OD1-CB 3.39Å; N1629-K1631 PolarHBondContact OD1-N 2.98Å; N1629-E1632 HydrophobicContact CB-CG 4.4Å; N1629-E1632 PolarHBondContact N-OE2 3.11Å; N1629-E1632 VanDerWaalsContact N-OE2 3.12Å; N1629-E1632 VanDerWaalsContact ND2-CD 3.27Å; N1629-E1632 PolarHBondContact ND2-OE1 3.24Å; N1629-E1632 WeakPolarHBondContact O-CA 3.39Å; N1629-E1632 WeakPolarHBondContact O-CB 3.35Å; N1629-E1632 PolarHBondContact O-N 3.02Å; N1629-E1632 WeakPolarHBondContact OD1-CG 3.29Å; N1629-E1632 PolarHBondContact OD1-N 3.29Å; N1629-F1633 WeakPolarHBondContact O-CD2 3.3Å; N1629-F1633 PolarHBondContact O-N 3.14Å
1630	Y	54.2	Low	57.4	Low	110.6 Å²	110.6	73.6 Å²	73.6	43%	0.434	35%	0.348	S	S	.	.	H	α-helix	trans	-47.8	-34	178.1	178	-98.8	0	0	0	113.9	E1632 F1633 K1634 E1668 Y1669 E2467	Y1630-E1632 PolarHBondContact O-N 3.05Å; Y1630-F1633 WeakPolarHBondContact O-CB 3.34Å; Y1630-F1633 PolarHBondContact O-N 2.94Å; Y1630-K1634 HydrophobicContact CE1-CB 4.37Å; Y1630-K1634 HydrophobicContact CE1-CD 4.06Å; Y1630-K1634 HydrophobicContact CE2-CD 4.47Å; Y1630-K1634 WeakPolarHBondContact O-CB 3.43Å; Y1630-K1634 PolarHBondContact O-N 3.01Å; Y1630-K1634 WeakPolarHBondContact OH-CE 3.17Å; Y1630-K1634 PolarHBondContact OH-NZ 3.1Å; Y1630-E1668 WeakPolarHBondContact CD2-OE2 3.41Å; Y1630-E1668 WeakPolarHBondContact CE2-OE1 3.36Å; Y1630-E1668 WeakPolarHBondContact CE2-OE2 3.48Å; Y1630-Y1669 AromaticContact CE2-CE2 3.79Å; Y1630-Y1669 HydrophobicContact CE2-CE2 4.01Å; Y1630-Y1669 PolarHBondContact OH-OH 2.97Å; Y1630-E2467 HydrophobicContact CD1-CB 3.92Å; Y1630-E2467 HydrophobicContact CD2-CB 3.83Å; Y1630-E2467 HydrophobicContact CE1-CB 3.54Å; Y1630-E2467 VanDerWaalsContact CE1-CD 3.41Å; Y1630-E2467 HydrophobicContact CE1-CG 4.06Å; Y1630-E2467 WeakPolarHBondContact CE1-OE2 3.4Å; Y1630-E2467 HydrophobicContact CE2-CB 3.44Å; Y1630-E2467 VanDerWaalsContact CE2-CB 3.44Å; Y1630-E2467 HydrophobicContact CG-CB 4.04Å; Y1630-E2467 PolarHBondContact OH-OE2 2.98Å
1631	K	55.6	Low	58.2	Low	143.8 Å²	143.8	71.6 Å²	71.6	63%	0.625	34%	0.339	S	S	*	.	H	α-helix	trans	-68.2	-35.4	176	-71	-175.7	178.1	178.8	0	113.6	P1445 N1629 F1633 K1634 Q1635	P1445-K1631 HydrophobicContact CG-CD 4.25Å; N1629-K1631 PolarHBondContact O-N 3.22Å; N1629-K1631 VanDerWaalsContact O-N 3.09Å; N1629-K1631 WeakPolarHBondContact OD1-CA 3.49Å; N1629-K1631 WeakPolarHBondContact OD1-CB 3.39Å; N1629-K1631 PolarHBondContact OD1-N 2.98Å; K1631-F1633 VanDerWaalsContact C-N 3.28Å; K1631-K1634 PolarHBondContact O-N 2.9Å; K1631-Q1635 VanDerWaalsContact O-CB 3.23Å; K1631-Q1635 WeakPolarHBondContact O-CB 3.44Å; K1631-Q1635 VanDerWaalsContact O-CD 3.3Å; K1631-Q1635 VanDerWaalsContact O-CG 3.27Å; K1631-Q1635 WeakPolarHBondContact O-CG 3.36Å; K1631-Q1635 PolarHBondContact O-N 3.11Å; K1631-Q1635 PolarHBondContact O-NE2 3.18Å; K1631-Q1635 PolarHBondContact O-OE1 3.11Å; K1631-Q1635 VanDerWaalsContact O-OE1 3.07Å
1632	E	56.5	Low	59.4	Low	73.6 Å²	73.6	73.5 Å²	73.5	34%	0.344	35%	0.347	S	S	.	.	H	α-helix	trans	-70.3	-33.8	173.7	-69.2	173.3	173.3	0	0	111.1	R1585 F1621 F1626 P1628 N1629 Y1630 K1634 Q1635	R1585-E1632 IonicContact CZ-OE2 2.79Å; R1585-E1632 IonicContact NH2-OE1 3.52Å; R1585-E1632 IonicContact NH2-OE2 3.88Å; R1585-E1632 PolarHBondContact NH2-OE2 3.46Å; F1621-E1632 HydrophobicContact CZ-CB 4.26Å; F1626-E1632 WeakPolarHBondContact CE1-OE2 3.46Å; P1628-E1632 WeakPolarHBondContact CA-OE2 3.43Å; P1628-E1632 HydrophobicContact CB-CB 4.18Å; N1629-E1632 HydrophobicContact CB-CG 4.4Å; N1629-E1632 PolarHBondContact N-OE2 3.11Å; N1629-E1632 VanDerWaalsContact N-OE2 3.12Å; N1629-E1632 VanDerWaalsContact ND2-CD 3.27Å; N1629-E1632 PolarHBondContact ND2-OE1 3.24Å; N1629-E1632 WeakPolarHBondContact O-CA 3.39Å; N1629-E1632 WeakPolarHBondContact O-CB 3.35Å; N1629-E1632 PolarHBondContact O-N 3.02Å; N1629-E1632 WeakPolarHBondContact OD1-CG 3.29Å; N1629-E1632 PolarHBondContact OD1-N 3.29Å; Y1630-E1632 PolarHBondContact O-N 3.05Å; E1632-K1634 VanDerWaalsContact C-N 3.28Å; E1632-K1634 PolarHBondContact O-N 3.29Å; E1632-Q1635 WeakPolarHBondContact O-CB 3.25Å; E1632-Q1635 PolarHBondContact O-N 3.08Å
1633	F	54.5	Low	60.9	Low	37.6 Å²	37.6	71.2 Å²	71.2	17%	0.165	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-33.7	176.7	-100.7	-88.8	0	0	0	113.6	F1621 P1628 N1629 Y1630 K1631 Q1635 I1667 E1668 Y1669 Y2195	F1621-F1633 HydrophobicContact CD2-CD1 4.11Å; F1621-F1633 AromaticContact CD2-CD2 3.6Å; F1621-F1633 HydrophobicContact CD2-CD2 3.6Å; F1621-F1633 AromaticContact CD2-CE1 3.48Å; F1621-F1633 HydrophobicContact CD2-CE1 3.48Å; F1621-F1633 VanDerWaalsContact CD2-CE1 3.48Å; F1621-F1633 AromaticContact CD2-CE2 3.9Å; F1621-F1633 HydrophobicContact CD2-CE2 3.9Å; F1621-F1633 AromaticContact CD2-CZ 3.87Å; F1621-F1633 HydrophobicContact CD2-CZ 3.87Å; F1621-F1633 HydrophobicContact CE2-CB 4.47Å; F1621-F1633 AromaticContact CE2-CD1 3.77Å; F1621-F1633 HydrophobicContact CE2-CD1 3.77Å; F1621-F1633 AromaticContact CE2-CD2 3.47Å; F1621-F1633 HydrophobicContact CE2-CD2 3.47Å; F1621-F1633 VanDerWaalsContact CE2-CD2 3.47Å; F1621-F1633 AromaticContact CE2-CE1 3.64Å; F1621-F1633 HydrophobicContact CE2-CE1 3.64Å; F1621-F1633 HydrophobicContact CE2-CE2 4.24Å; F1621-F1633 HydrophobicContact CE2-CG 4.35Å; F1621-F1633 HydrophobicContact CE2-CZ 4.19Å; F1621-F1633 HydrophobicContact CZ-CD2 4.34Å; P1628-F1633 HydrophobicContact CB-CB 4.41Å; P1628-F1633 HydrophobicContact CB-CD2 3.75Å; P1628-F1633 HydrophobicContact CB-CE1 4.11Å; P1628-F1633 HydrophobicContact CB-CE2 3.59Å; P1628-F1633 VanDerWaalsContact CB-CE2 3.47Å; P1628-F1633 HydrophobicContact CB-CG 4.26Å; P1628-F1633 HydrophobicContact CB-CZ 3.89Å; P1628-F1633 VanDerWaalsContact CD-CE2 3.46Å; P1628-F1633 HydrophobicContact CG-CB 4.27Å; P1628-F1633 HydrophobicContact CG-CD2 3.92Å; P1628-F1633 HydrophobicContact CG-CE1 4.04Å; P1628-F1633 HydrophobicContact CG-CE2 3.77Å; P1628-F1633 VanDerWaalsContact CG-CE2 3.42Å; P1628-F1633 HydrophobicContact CG-CG 4.42Å; P1628-F1633 HydrophobicContact CG-CZ 3.73Å; P1628-F1633 VanDerWaalsContact CG-CZ 3.44Å; P1628-F1633 VanDerWaalsContact O-CE2 3.31Å; P1628-F1633 WeakPolarHBondContact O-CE2 3.29Å; P1628-F1633 WeakPolarHBondContact O-CZ 3.38Å; N1629-F1633 WeakPolarHBondContact O-CD2 3.3Å; N1629-F1633 PolarHBondContact O-N 3.14Å; Y1630-F1633 WeakPolarHBondContact O-CB 3.34Å; Y1630-F1633 PolarHBondContact O-N 2.94Å; K1631-F1633 VanDerWaalsContact C-N 3.28Å; F1633-Q1635 VanDerWaalsContact C-N 3.3Å; F1633-Q1635 PolarHBondContact O-N 3.32Å; F1633-I1667 HydrophobicContact CD1-CG2 4.07Å; F1633-I1667 HydrophobicContact CE1-CB 4.46Å; F1633-I1667 HydrophobicContact CE1-CG1 4.45Å; F1633-I1667 HydrophobicContact CE1-CG2 3.96Å; F1633-I1667 HydrophobicContact CE2-CB 4.21Å; F1633-I1667 HydrophobicContact CE2-CD1 3.87Å; F1633-I1667 HydrophobicContact CE2-CG1 3.72Å; F1633-I1667 HydrophobicContact CE2-CG2 3.89Å; F1633-I1667 HydrophobicContact CZ-CB 3.64Å; F1633-I1667 HydrophobicContact CZ-CD1 4.21Å; F1633-I1667 HydrophobicContact CZ-CG1 3.59Å; F1633-I1667 HydrophobicContact CZ-CG2 3.7Å; F1633-E1668 HydrophobicContact CE1-CB 4.21Å; F1633-Y1669 HydrophobicContact CB-CE1 4.45Å; F1633-Y1669 AromaticContact CD1-CD1 3.21Å; F1633-Y1669 HydrophobicContact CD1-CD1 3.6Å; F1633-Y1669 AromaticContact CD1-CE1 3.34Å; F1633-Y1669 HydrophobicContact CD1-CE1 3.34Å; F1633-Y1669 AromaticContact CD1-CG 3.86Å; F1633-Y1669 HydrophobicContact CD1-CG 3.86Å; F1633-Y1669 AromaticContact CD1-CZ 3.78Å; F1633-Y1669 HydrophobicContact CD2-CE1 4.44Å; F1633-Y1669 AromaticContact CE1-CD1 3.33Å; F1633-Y1669 HydrophobicContact CE1-CD1 3.33Å; F1633-Y1669 AromaticContact CE1-CE1 3.22Å; F1633-Y1669 HydrophobicContact CE1-CE1 3.22Å; F1633-Y1669 HydrophobicContact CE1-CG 4.46Å; F1633-Y1669 HydrophobicContact CG-CD1 4.36Å; F1633-Y1669 AromaticContact CG-CE1 3.75Å; F1633-Y1669 HydrophobicContact CG-CE1 3.92Å; F1633-Y1669 HydrophobicContact CZ-CD1 4.35Å; F1633-Y1669 AromaticContact CZ-CE1 3.99Å; F1633-Y1669 HydrophobicContact CZ-CE1 4.21Å; F1633-Y1669 WeakPolarHBondContact O-CE1 3.36Å; F1633-Y2195 HydrophobicContact CZ-CD1 4.33Å; F1633-Y2195 HydrophobicContact CZ-CD2 4.35Å; F1633-Y2195 HydrophobicContact CZ-CG 4.19Å
1634	K	52	Low	62.7	Low	75.2 Å²	75.2	66.2 Å²	66.2	33%	0.327	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	7.6	-175.9	-143.3	-176.5	-177.2	-164.2	0	113.1	I1443 Y1630 K1631 E1632 S1636 E1726 F1727	I1443-K1634 WeakPolarHBondContact CG2-O 3.27Å; Y1630-K1634 HydrophobicContact CE1-CB 4.37Å; Y1630-K1634 HydrophobicContact CE1-CD 4.06Å; Y1630-K1634 HydrophobicContact CE2-CD 4.47Å; Y1630-K1634 WeakPolarHBondContact O-CB 3.43Å; Y1630-K1634 PolarHBondContact O-N 3.01Å; Y1630-K1634 WeakPolarHBondContact OH-CE 3.17Å; Y1630-K1634 PolarHBondContact OH-NZ 3.1Å; K1631-K1634 PolarHBondContact O-N 2.9Å; E1632-K1634 VanDerWaalsContact C-N 3.28Å; E1632-K1634 PolarHBondContact O-N 3.29Å; K1634-S1636 VanDerWaalsContact C-N 3.31Å; K1634-S1636 PolarHBondContact O-N 3.06Å; K1634-S1636 VanDerWaalsContact O-N 3.12Å; K1634-E1726 VanDerWaalsContact CE-CD 3.42Å; K1634-E1726 WeakPolarHBondContact CE-OE1 3.42Å; K1634-E1726 WeakPolarHBondContact CE-OE2 3.22Å; K1634-E1726 VanDerWaalsContact NZ-CD 3.25Å; K1634-E1726 IonicContact NZ-OE1 3.2Å; K1634-E1726 PolarHBondContact NZ-OE1 2.99Å; K1634-E1726 IonicContact NZ-OE2 3.22Å; K1634-E1726 PolarHBondContact NZ-OE2 3.19Å; K1634-F1727 WeakPolarHBondContact O-CE2 3.34Å; K1634-F1727 WeakPolarHBondContact O-CZ 3.41Å
1635	Q	48.8	Very low	64.8	Low	84 Å²	84	64.9 Å²	64.9	39%	0.393	29%	0.293	S	S	.	.			trans	-104.4	44	-168.3	-76.8	-176	2.3	0	0	114.8	I1443 K1631 E1632 F1633 I1637 N1671	I1443-Q1635 HydrophobicContact CB-CB 4.37Å; I1443-Q1635 HydrophobicContact CD1-CB 3.68Å; I1443-Q1635 VanDerWaalsContact CD1-CD 3.48Å; I1443-Q1635 HydrophobicContact CD1-CG 4.05Å; I1443-Q1635 HydrophobicContact CG1-CB 4.26Å; I1443-Q1635 HydrophobicContact CG2-CB 3.83Å; I1443-Q1635 HydrophobicContact CG2-CG 4.04Å; I1443-Q1635 WeakPolarHBondContact CG2-O 3.11Å; K1631-Q1635 VanDerWaalsContact O-CB 3.23Å; K1631-Q1635 WeakPolarHBondContact O-CB 3.44Å; K1631-Q1635 VanDerWaalsContact O-CD 3.3Å; K1631-Q1635 VanDerWaalsContact O-CG 3.27Å; K1631-Q1635 WeakPolarHBondContact O-CG 3.36Å; K1631-Q1635 PolarHBondContact O-N 3.11Å; K1631-Q1635 PolarHBondContact O-NE2 3.18Å; K1631-Q1635 PolarHBondContact O-OE1 3.11Å; K1631-Q1635 VanDerWaalsContact O-OE1 3.07Å; E1632-Q1635 WeakPolarHBondContact O-CB 3.25Å; E1632-Q1635 PolarHBondContact O-N 3.08Å; F1633-Q1635 VanDerWaalsContact C-N 3.3Å; F1633-Q1635 PolarHBondContact O-N 3.32Å; Q1635-I1637 VanDerWaalsContact C-N 3.29Å; Q1635-I1637 WeakPolarHBondContact O-CG1 3.28Å; Q1635-I1637 PolarHBondContact O-N 3.16Å; Q1635-N1671 PolarHBondContact OE1-ND2 3.08Å
1636	S	54	Low	67.1	Low	18.2 Å²	18.2	56.3 Å²	56.3	13%	0.127	26%	0.263	C	S	.	.			trans	-76	114.1	165.7	54.9	0	0	0	0	109.7	K1634 E1638 H1639 N1671 F1727	K1634-S1636 VanDerWaalsContact C-N 3.31Å; K1634-S1636 PolarHBondContact O-N 3.06Å; K1634-S1636 VanDerWaalsContact O-N 3.12Å; S1636-E1638 VanDerWaalsContact C-N 3.31Å; S1636-E1638 PolarHBondContact O-N 2.91Å; S1636-E1638 VanDerWaalsContact O-N 3.1Å; S1636-H1639 PolarHBondContact O-N 3.26Å; S1636-H1639 PolarHBondContact OG-CD2 3.09Å; S1636-N1671 WeakPolarHBondContact CB-ND2 3.19Å; S1636-N1671 PolarHBondContact OG-ND2 3.05Å; S1636-N1671 PolarHBondContact OG-OD1 2.98Å; S1636-N1671 VanDerWaalsContact OG-OD1 3.11Å; S1636-F1727 VanDerWaalsContact O-CE2 3.28Å; S1636-F1727 WeakPolarHBondContact O-CE2 3.29Å; S1636-F1727 WeakPolarHBondContact O-CZ 3.24Å
1637	I	54.1	Low	69.4	Low	87.4 Å²	87.4	49.6 Å²	49.6	45%	0.448	23%	0.234	S	C	.	.			trans	-66.4	-14	176.9	-61	163.4	0	0	0	111.3	I1443 K1495 Q1635 H1639 L1640 F1727	I1443-I1637 HydrophobicContact CB-CD1 4.04Å; I1443-I1637 HydrophobicContact CB-CG1 4.48Å; I1443-I1637 HydrophobicContact CD1-CD1 3.69Å; I1443-I1637 HydrophobicContact CD1-CG1 3.79Å; I1443-I1637 HydrophobicContact CG1-CD1 4.18Å; K1495-I1637 HydrophobicContact CB-CG2 4.29Å; K1495-I1637 HydrophobicContact CD-CG2 4.28Å; K1495-I1637 HydrophobicContact CG-CG2 4.19Å; Q1635-I1637 VanDerWaalsContact C-N 3.29Å; Q1635-I1637 WeakPolarHBondContact O-CG1 3.28Å; Q1635-I1637 PolarHBondContact O-N 3.16Å; I1637-H1639 PolarHBondContact O-N 3.48Å; I1637-L1640 HydrophobicContact CG2-CD1 4.28Å; I1637-L1640 PolarHBondContact O-N 3.31Å; I1637-L1640 VanDerWaalsContact O-N 3.12Å; I1637-F1727 HydrophobicContact CD1-CD2 3.95Å; I1637-F1727 HydrophobicContact CD1-CE2 4.23Å
1638	E	62.5	Low	71.5	Confident	27.4 Å²	27.4	45.8 Å²	45.8	13%	0.128	22%	0.217	C	C	.	.	S	Bend	trans	-71.4	144.5	-176.2	-58.6	-158.7	152.8	0	0	113.8	K1495 L1497 I1498 P1582 R1592 S1636	K1495-E1638 WeakPolarHBondContact CD-OE2 3.49Å; K1495-E1638 WeakPolarHBondContact CE-OE2 3.44Å; K1495-E1638 IonicContact NZ-OE1 3.34Å; K1495-E1638 PolarHBondContact NZ-OE1 3.48Å; K1495-E1638 IonicContact NZ-OE2 3.07Å; K1495-E1638 PolarHBondContact NZ-OE2 2.84Å; L1497-E1638 WeakPolarHBondContact CD1-OE1 3.36Å; I1498-E1638 WeakPolarHBondContact CD1-O 3.46Å; P1582-E1638 VanDerWaalsContact CB-OE1 3.27Å; P1582-E1638 WeakPolarHBondContact CB-OE1 3.32Å; P1582-E1638 WeakPolarHBondContact CD-OE1 3.45Å; P1582-E1638 WeakPolarHBondContact CD-OE2 3.42Å; P1582-E1638 HydrophobicContact CG-CG 4.36Å; P1582-E1638 VanDerWaalsContact CG-OE1 3.29Å; P1582-E1638 WeakPolarHBondContact CG-OE1 3.21Å; R1592-E1638 IonicContact CZ-OE2 3.46Å; R1592-E1638 IonicContact NH1-OE2 3.37Å; R1592-E1638 PolarHBondContact NH1-OE2 3.05Å; S1636-E1638 VanDerWaalsContact C-N 3.31Å; S1636-E1638 PolarHBondContact O-N 2.91Å; S1636-E1638 VanDerWaalsContact O-N 3.1Å
1639	H	71.4	Confident	73.5	Confident	31 Å²	31	48.4 Å²	48.4	14%	0.144	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-76	156.1	172.2	-66.7	-109.9	0	0	0	112.6	K1495 D1496 I1498 R1592 S1636 I1637 N1728	K1495-H1639 WeakPolarHBondContact CE-NE2 3.22Å; K1495-H1639 PolarHBondContact O-CE1 3.33Å; D1496-H1639 IonicContact OD1-CE1 3.37Å; D1496-H1639 PolarHBondContact OD1-CE1 3.06Å; D1496-H1639 IonicContact OD1-ND1 3.02Å; D1496-H1639 IonicContact OD1-NE2 3.15Å; I1498-H1639 HydrophobicContact CD1-CB 3.47Å; I1498-H1639 VanDerWaalsContact CD1-CB 3.47Å; I1498-H1639 WeakPolarHBondContact CD1-O 3.42Å; I1498-H1639 HydrophobicContact CG1-CB 4.26Å; R1592-H1639 PolarHBondContact NH1-O 3.12Å; R1592-H1639 VanDerWaalsContact NH1-O 3.14Å; R1592-H1639 PolarHBondContact NH2-O 3.21Å; S1636-H1639 PolarHBondContact O-N 3.26Å; S1636-H1639 PolarHBondContact OG-CD2 3.09Å; I1637-H1639 PolarHBondContact O-N 3.48Å; H1639-N1728 PolarHBondContact ND1-OD1 2.98Å
1640	L	79	Confident	75.5	Confident	15.4 Å²	15.4	44 Å²	44	8%	0.081	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-72.2	139.3	176.4	-62.4	173.7	0	0	0	111	I1498 I1637 N1671 I1673 I1723 S1724 N1725 N1728 I1736	I1498-L1640 VanDerWaalsContact CD1-O 3.3Å; I1498-L1640 WeakPolarHBondContact CD1-O 3.36Å; I1637-L1640 HydrophobicContact CG2-CD1 4.28Å; I1637-L1640 PolarHBondContact O-N 3.31Å; I1637-L1640 VanDerWaalsContact O-N 3.12Å; L1640-N1671 CarbonylContact C-O 3.57Å; L1640-N1671 VanDerWaalsContact CA-O 3.29Å; L1640-N1671 WeakPolarHBondContact CA-O 3.34Å; L1640-N1671 HydrophobicContact CD2-CB 4.4Å; L1640-I1673 HydrophobicContact CB-CD1 3.95Å; L1640-I1673 HydrophobicContact CB-CG1 4.34Å; L1640-I1673 HydrophobicContact CD1-CD1 3.95Å; L1640-I1673 HydrophobicContact CD1-CG1 4.38Å; L1640-I1673 HydrophobicContact CD2-CD1 4.45Å; L1640-I1673 HydrophobicContact CG-CD1 4.44Å; L1640-I1723 HydrophobicContact CD1-CG2 3.78Å; L1640-I1723 VanDerWaalsContact CD1-CG2 3.48Å; L1640-I1723 HydrophobicContact CD2-CG2 3.9Å; L1640-I1723 HydrophobicContact CG-CG2 4.42Å; L1640-S1724 WeakPolarHBondContact CD2-O 3.34Å; L1640-N1725 WeakPolarHBondContact CD1-OD1 3.29Å; L1640-N1728 WeakPolarHBondContact CB-ND2 3.37Å; L1640-N1728 HydrophobicContact CD1-CB 4.32Å; L1640-N1728 WeakPolarHBondContact CD1-ND2 3.37Å; L1640-N1728 HydrophobicContact CG-CB 4.49Å; L1640-N1728 VanDerWaalsContact CG-ND2 3.31Å; L1640-N1728 WeakPolarHBondContact CG-ND2 3.36Å; L1640-N1728 PolarHBondContact N-ND2 3.07Å; L1640-I1736 HydrophobicContact CD1-CD1 3.83Å
1641	S	84.3	Confident	77.5	Confident	1.6 Å²	1.6	40.7 Å²	40.7	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.2	172.2	171.7	0	0	0	0	110.1	N1593 E1594 N1671 N1672 I1673	N1593-S1641 VanDerWaalsContact O-CB 3.24Å; N1593-S1641 WeakPolarHBondContact O-CB 3.32Å; N1593-S1641 PolarHBondContact O-OG 3.09Å; E1594-S1641 CarbonylContact O-C 3.55Å; E1594-S1641 WeakPolarHBondContact O-CA 3.27Å; S1641-N1671 PolarHBondContact N-O 2.95Å; S1641-N1672 WeakPolarHBondContact CB-OD1 3.26Å; S1641-N1672 CarbonylContact O-C 3.44Å; S1641-N1672 WeakPolarHBondContact O-CA 3.31Å; S1641-I1673 PolarHBondContact O-N 3.13Å
1642	F	88.2	Confident	79.5	Confident	57 Å²	57	33.9 Å²	33.9	25%	0.25	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.6	174.4	-104.8	-92.9	0	0	0	110.6	E1594 H1595 E1596 N1644 I1673 S1675 Y1731 I1736	E1594-F1642 PolarHBondContact O-N 3.04Å; H1595-F1642 CarbonylContact C-O 3.55Å; H1595-F1642 VanDerWaalsContact CA-O 3.31Å; H1595-F1642 WeakPolarHBondContact CA-O 3.39Å; H1595-F1642 AromaticContact CD2-CD2 3.91Å; H1595-F1642 AromaticContact CD2-CG 3.98Å; H1595-F1642 AromaticContact CE1-CD1 3.08Å; H1595-F1642 WeakPolarHBondContact CE1-CD1 3.25Å; H1595-F1642 AromaticContact CE1-CD2 3.98Å; H1595-F1642 AromaticContact CE1-CE1 3.51Å; H1595-F1642 AromaticContact CE1-CG 3.97Å; H1595-F1642 AromaticContact ND1-CD1 3.29Å; H1595-F1642 VanDerWaalsContact ND1-CD1 3.29Å; H1595-F1642 WeakPolarHBondContact ND1-CD1 3.41Å; H1595-F1642 AromaticContact ND1-CG 3.79Å; H1595-F1642 AromaticContact NE2-CD2 3.67Å; H1595-F1642 AromaticContact NE2-CG 4Å; E1596-F1642 PolarHBondContact N-O 3.33Å; F1642-N1644 HydrophobicContact CD1-CB 4.3Å; F1642-N1644 HydrophobicContact CE1-CB 3.83Å; F1642-I1673 HydrophobicContact CD1-CB 4.02Å; F1642-I1673 HydrophobicContact CD1-CD1 3.93Å; F1642-I1673 HydrophobicContact CD1-CG2 4.11Å; F1642-I1673 HydrophobicContact CD2-CB 4.08Å; F1642-I1673 HydrophobicContact CD2-CD1 4.46Å; F1642-I1673 HydrophobicContact CD2-CG2 3.85Å; F1642-I1673 HydrophobicContact CE1-CB 4.29Å; F1642-I1673 HydrophobicContact CE1-CD1 3.45Å; F1642-I1673 HydrophobicContact CE1-CG1 4.36Å; F1642-I1673 HydrophobicContact CE1-CG2 4.27Å; F1642-I1673 HydrophobicContact CE2-CD1 4.26Å; F1642-I1673 HydrophobicContact CE2-CG2 4.12Å; F1642-I1673 HydrophobicContact CG-CD1 4.38Å; F1642-I1673 HydrophobicContact CZ-CD1 3.63Å; F1642-S1675 VanDerWaalsContact CZ-CB 3.48Å; F1642-Y1731 HydrophobicContact CE2-CE1 4.39Å; F1642-Y1731 HydrophobicContact CE2-CE2 4.34Å; F1642-Y1731 AromaticContact CE2-CZ 3.72Å; F1642-Y1731 WeakPolarHBondContact CE2-OH 3.32Å; F1642-Y1731 AromaticContact CZ-CE1 3.79Å; F1642-Y1731 HydrophobicContact CZ-CE1 3.79Å; F1642-Y1731 HydrophobicContact CZ-CE2 4.27Å; F1642-Y1731 AromaticContact CZ-CZ 3.54Å; F1642-Y1731 WeakPolarHBondContact CZ-OH 3.29Å; F1642-I1736 HydrophobicContact CE1-CG2 3.82Å; F1642-I1736 HydrophobicContact CZ-CD1 4.37Å; F1642-I1736 HydrophobicContact CZ-CG2 4.22Å
1643	I	91.6	Very high	81.3	Confident	2.6 Å²	2.6	31.3 Å²	31.3	1%	0.013	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.9	-178	-54.8	174.5	0	0	0	108.9	H1578 F1598 Y1645 N1672 I1673 W1674 S1675	H1578-I1643 HydrophobicContact CB-CD1 4.11Å; F1598-I1643 HydrophobicContact CD2-CG2 4.3Å; F1598-I1643 HydrophobicContact CE2-CG2 4.25Å; I1643-Y1645 HydrophobicContact CG2-CD2 4.09Å; I1643-Y1645 HydrophobicContact CG2-CE2 3.67Å; I1643-N1672 HydrophobicContact CD1-CB 3.76Å; I1643-N1672 HydrophobicContact CG1-CB 4.41Å; I1643-I1673 PolarHBondContact N-O 3.04Å; I1643-W1674 HydrophobicContact CB-CD2 4.33Å; I1643-W1674 HydrophobicContact CB-CE3 3.86Å; I1643-W1674 HydrophobicContact CB-CZ3 4.02Å; I1643-W1674 HydrophobicContact CD1-CD2 4.27Å; I1643-W1674 HydrophobicContact CD1-CE3 4.16Å; I1643-W1674 HydrophobicContact CD1-CH2 3.64Å; I1643-W1674 HydrophobicContact CD1-CZ2 4.02Å; I1643-W1674 HydrophobicContact CD1-CZ3 3.69Å; I1643-W1674 VanDerWaalsContact CD1-CZ3 3.44Å; I1643-W1674 HydrophobicContact CG1-CZ3 4.39Å; I1643-W1674 HydrophobicContact CG2-CE3 3.89Å; I1643-W1674 HydrophobicContact CG2-CZ3 3.73Å; I1643-S1675 PolarHBondContact O-N 3.25Å
1644	N	94.6	Very high	83.1	Confident	33 Å²	33	32.9 Å²	32.9	18%	0.176	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.6	-178.3	-156	26.4	0	0	0	111.9	E1596 T1597 F1598 F1642 N1646 S1675 H1677	E1596-N1644 PolarHBondContact O-N 3.07Å; T1597-N1644 CarbonylContact C-O 3.57Å; T1597-N1644 WeakPolarHBondContact CA-O 3.33Å; T1597-N1644 HydrophobicContact CG2-CB 4.4Å; F1598-N1644 PolarHBondContact N-O 3.09Å; F1642-N1644 HydrophobicContact CD1-CB 4.3Å; F1642-N1644 HydrophobicContact CE1-CB 3.83Å; N1644-N1646 PolarHBondContact ND2-OD1 2.96Å; N1644-S1675 CarbonylContact C-O 3.53Å; N1644-S1675 WeakPolarHBondContact CA-O 3.36Å; N1644-S1675 VanDerWaalsContact OD1-CB 3.25Å; N1644-S1675 WeakPolarHBondContact OD1-CB 3.37Å; N1644-S1675 PolarHBondContact OD1-O 2.89Å; N1644-S1675 PolarHBondContact OD1-OG 3.26Å; N1644-H1677 PolarHBondContact OD1-CD2 3.12Å; N1644-H1677 PolarHBondContact OD1-NE2 2.86Å
1645	Y	96.7	Very high	84.9	Confident	0.4 Å²	0.4	29.3 Å²	29.3	0%	0.002	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120	176.6	-85.7	-87.6	0	0	0	110.7	L1576 H1578 F1598 F1600 M1613 I1615 I1643 W1674 S1675 Y1676 H1677	L1576-Y1645 HydrophobicContact CD1-CE1 3.44Å; L1576-Y1645 VanDerWaalsContact CD1-CE1 3.44Å; L1576-Y1645 VanDerWaalsContact CD1-OH 3.24Å; L1576-Y1645 WeakPolarHBondContact CD1-OH 3.23Å; H1578-Y1645 PolarHBondContact CD2-OH 3.04Å; H1578-Y1645 AromaticContact NE2-CE2 3.77Å; H1578-Y1645 AromaticContact NE2-CZ 3.64Å; H1578-Y1645 PolarHBondContact NE2-OH 3.25Å; F1598-Y1645 HydrophobicContact CB-CD1 3.57Å; F1598-Y1645 HydrophobicContact CB-CE1 3.5Å; F1598-Y1645 VanDerWaalsContact CB-CE1 3.47Å; F1598-Y1645 HydrophobicContact CB-CG 4.23Å; F1598-Y1645 HydrophobicContact CD1-CE1 4.24Å; F1598-Y1645 HydrophobicContact CD2-CE1 4.24Å; F1598-Y1645 HydrophobicContact CD2-CE2 4.24Å; F1598-Y1645 AromaticContact CD2-CZ 3.93Å; F1598-Y1645 HydrophobicContact CG-CD1 4.27Å; F1598-Y1645 AromaticContact CG-CE1 3.73Å; F1598-Y1645 HydrophobicContact CG-CE1 3.73Å; F1598-Y1645 HydrophobicContact CG-CE2 4.45Å; F1598-Y1645 AromaticContact CG-CZ 3.9Å; F1598-Y1645 CarbonylContact O-C 3.53Å; F1598-Y1645 WeakPolarHBondContact O-CA 3.36Å; F1600-Y1645 HydrophobicContact CE2-CD1 4.44Å; F1600-Y1645 HydrophobicContact CE2-CE1 4.33Å; M1613-Y1645 HydrophobicContact CE-CD1 4.27Å; M1613-Y1645 HydrophobicContact CE-CE1 3.86Å; I1615-Y1645 HydrophobicContact CD1-CD1 3.91Å; I1615-Y1645 HydrophobicContact CD1-CD2 4.35Å; I1615-Y1645 HydrophobicContact CD1-CE1 3.55Å; I1615-Y1645 VanDerWaalsContact CD1-CE1 3.45Å; I1615-Y1645 HydrophobicContact CD1-CE2 4.07Å; I1615-Y1645 HydrophobicContact CD1-CG 4.31Å; I1615-Y1645 HydrophobicContact CG1-CE1 4.27Å; I1615-Y1645 HydrophobicContact CG2-CE2 4.12Å; I1615-Y1645 WeakPolarHBondContact CG2-OH 3.28Å; I1643-Y1645 HydrophobicContact CG2-CD2 4.09Å; I1643-Y1645 HydrophobicContact CG2-CE2 3.67Å; Y1645-W1674 HydrophobicContact CE2-CE3 4.4Å; Y1645-W1674 HydrophobicContact CE2-CZ3 4.16Å; Y1645-S1675 PolarHBondContact N-O 2.91Å; Y1645-Y1676 VanDerWaalsContact CB-CD1 3.43Å; Y1645-Y1676 HydrophobicContact CD1-CE1 4.4Å; Y1645-Y1676 AromaticContact CD2-CD1 3.92Å; Y1645-Y1676 HydrophobicContact CD2-CD1 3.94Å; Y1645-Y1676 AromaticContact CD2-CE1 3.52Å; Y1645-Y1676 HydrophobicContact CD2-CE1 3.52Å; Y1645-Y1676 VanDerWaalsContact CD2-CE1 3.4Å; Y1645-Y1676 AromaticContact CD2-CZ 3.98Å; Y1645-Y1676 HydrophobicContact CE2-CE1 4.13Å; Y1645-Y1676 AromaticContact CG-CD1 3.92Å; Y1645-Y1676 HydrophobicContact CG-CD1 3.92Å; Y1645-Y1676 AromaticContact CG-CE1 3.79Å; Y1645-Y1676 HydrophobicContact CG-CE1 3.89Å; Y1645-H1677 PolarHBondContact O-N 2.95Å
1646	N	97	Very high	86.6	Confident	43 Å²	43	26.6 Å²	26.6	23%	0.23	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	107.6	172.7	-66.7	-8.3	0	0	0	108.9	F1598 I1599 F1600 N1644 T1648 H1677	F1598-N1646 PolarHBondContact O-N 3.02Å; I1599-N1646 CarbonylContact C-O 3.54Å; I1599-N1646 VanDerWaalsContact CA-O 3.32Å; I1599-N1646 WeakPolarHBondContact CA-O 3.39Å; I1599-N1646 HydrophobicContact CG1-CB 4.15Å; I1599-N1646 HydrophobicContact CG2-CB 4.44Å; F1600-N1646 PolarHBondContact N-O 3.35Å; N1644-N1646 PolarHBondContact ND2-OD1 2.96Å; N1646-T1648 HydrophobicContact CB-CG2 4.27Å; N1646-H1677 CarbonylContact C-O 3.48Å; N1646-H1677 WeakPolarHBondContact CA-O 3.37Å; N1646-H1677 PolarHBondContact OD1-CD2 2.93Å; N1646-H1677 VanDerWaalsContact OD1-CD2 3.28Å
1647	I	97.4	Very high	87.6	Confident	1.6 Å²	1.6	28.2 Å²	28.2	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111.6	178.5	-53.8	176.9	0	0	0	107.6	F1600 M1613 C1650 F1652 L1660 H1677 I1678 F1679 N1681	F1600-I1647 HydrophobicContact CB-CG2 4.44Å; F1600-I1647 HydrophobicContact CD2-CG1 4.35Å; M1613-I1647 HydrophobicContact CE-CD1 4.35Å; M1613-I1647 HydrophobicContact SD-CD1 3.9Å; I1647-C1650 HydrophobicContact CG2-CB 4.04Å; I1647-F1652 HydrophobicContact CG2-CE2 4.3Å; I1647-F1652 HydrophobicContact CG2-CZ 4.46Å; I1647-L1660 HydrophobicContact CD1-CD1 4.14Å; I1647-L1660 HydrophobicContact CD1-CD2 4.22Å; I1647-H1677 PolarHBondContact N-O 3.05Å; I1647-I1678 HydrophobicContact CB-CG1 4.38Å; I1647-I1678 HydrophobicContact CD1-CD1 4.46Å; I1647-I1678 HydrophobicContact CD1-CG1 4.36Å; I1647-I1678 CarbonylContact O-C 3.54Å; I1647-I1678 WeakPolarHBondContact O-CA 3.31Å; I1647-F1679 PolarHBondContact O-N 3Å; I1647-N1681 PolarHBondContact O-ND2 3.15Å
1648	T	97.6	Very high	88.8	Confident	14 Å²	14	24.1 Å²	24.1	9%	0.086	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.9	-167.4	80	0	0	0	0	112.3	F1600 E1601 N1602 N1646 C1650 F1679	F1600-T1648 PolarHBondContact O-N 2.92Å; E1601-T1648 VanDerWaalsContact CA-O 3.31Å; E1601-T1648 WeakPolarHBondContact CA-O 3.31Å; E1601-T1648 WeakPolarHBondContact CA-OG1 3.31Å; E1601-T1648 VanDerWaalsContact CB-OG1 3.28Å; E1601-T1648 WeakPolarHBondContact CB-OG1 2.92Å; E1601-T1648 VanDerWaalsContact CG-OG1 3.25Å; E1601-T1648 WeakPolarHBondContact CG-OG1 3.37Å; N1602-T1648 PolarHBondContact N-O 3.31Å; N1602-T1648 VanDerWaalsContact N-O 3.1Å; N1646-T1648 HydrophobicContact CB-CG2 4.27Å; T1648-C1650 PolarHBondContact O-N 2.9Å; T1648-C1650 VanDerWaalsContact O-N 3.09Å; T1648-C1650 PolarHBondContact O-SG 3.25Å; T1648-F1679 VanDerWaalsContact CA-O 3.26Å; T1648-F1679 WeakPolarHBondContact CA-O 3.39Å; T1648-F1679 HydrophobicContact CG2-CB 4.14Å; T1648-F1679 HydrophobicContact CG2-CD1 4.23Å; T1648-F1679 HydrophobicContact CG2-CD2 4.31Å; T1648-F1679 HydrophobicContact CG2-CE1 3.35Å; T1648-F1679 VanDerWaalsContact CG2-CE1 3.42Å; T1648-F1679 HydrophobicContact CG2-CE2 3.62Å; T1648-F1679 VanDerWaalsContact CG2-CE2 3.45Å; T1648-F1679 HydrophobicContact CG2-CG 4.39Å; T1648-F1679 HydrophobicContact CG2-CZ 3.1Å
1649	N	97.8	Very high	90	Very high	65.4 Å²	65.4	22.8 Å²	22.8	35%	0.35	11%	0.112	S	C	.	.	S	Bend	trans	53.3	25.5	178.5	-55.6	-31.3	0	0	0	114.4	N1602 F1679 N1680 N1681	N1602-N1649 WeakPolarHBondContact CA-O 3.38Å; N1602-N1649 WeakPolarHBondContact OD1-CB 3.35Å; N1602-N1649 PolarHBondContact OD1-ND2 2.97Å; N1649-F1679 PolarHBondContact N-O 3.12Å; N1649-F1679 VanDerWaalsContact N-O 3.14Å; N1649-N1680 VanDerWaalsContact CA-O 3.32Å; N1649-N1680 WeakPolarHBondContact CA-O 3.34Å; N1649-N1680 WeakPolarHBondContact OD1-CB 3.38Å; N1649-N1680 PolarHBondContact OD1-ND2 2.97Å; N1649-N1680 VanDerWaalsContact OD1-ND2 3.11Å; N1649-N1681 PolarHBondContact N-OD1 3.06Å
1650	C	97.7	Very high	90.9	Very high	1.4 Å²	1.4	21.4 Å²	21.4	1%	0.009	11%	0.105	C	C	.	.			trans	-88.4	155.3	-179.2	-62.1	0	0	0	0	111.7	V1603 I1647 T1648 F1652 N1681 K1682	V1603-C1650 HydrophobicContact CB-CB 4.47Å; V1603-C1650 PolarHBondContact N-SG 3Å; V1603-C1650 VanDerWaalsContact N-SG 3.4Å; V1603-C1650 CarbonylContact O-C 3.54Å; V1603-C1650 VanDerWaalsContact O-CA 3.24Å; V1603-C1650 WeakPolarHBondContact O-CA 3.38Å; V1603-C1650 VanDerWaalsContact O-CB 3.27Å; V1603-C1650 WeakPolarHBondContact O-CB 3.33Å; I1647-C1650 HydrophobicContact CG2-CB 4.04Å; T1648-C1650 PolarHBondContact O-N 2.9Å; T1648-C1650 VanDerWaalsContact O-N 3.09Å; T1648-C1650 PolarHBondContact O-SG 3.25Å; C1650-F1652 HydrophobicContact CB-CE2 4Å; C1650-N1681 WeakPolarHBondContact CA-OD1 3.36Å; C1650-N1681 VanDerWaalsContact CB-OD1 3.24Å; C1650-N1681 WeakPolarHBondContact CB-OD1 3.31Å; C1650-N1681 PolarHBondContact N-OD1 3Å; C1650-N1681 CarbonylContact O-C 3.58Å; C1650-N1681 VanDerWaalsContact O-CA 3.3Å; C1650-N1681 WeakPolarHBondContact O-CA 3.35Å; C1650-N1681 WeakPolarHBondContact O-CB 3.4Å; C1650-K1682 PolarHBondContact O-N 2.95Å
1651	E	97	Very high	91.3	Very high	41 Å²	41	21 Å²	21	19%	0.192	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.4	179.1	-61.2	-172.4	152.2	0	0	110.8	V1603 Q1604 I1605 R1606 I1653 K1682	V1603-E1651 PolarHBondContact O-N 3.05Å; Q1604-E1651 HydrophobicContact CG-CB 4.47Å; Q1604-E1651 PolarHBondContact NE2-OE2 3.13Å; I1605-E1651 PolarHBondContact N-O 3.01Å; R1606-E1651 IonicContact CZ-OE2 3.45Å; R1606-E1651 IonicContact NH1-OE2 2.68Å; R1606-E1651 IonicContact NH2-OE2 3.05Å; R1606-E1651 PolarHBondContact NH2-OE2 3.15Å; E1651-I1653 HydrophobicContact CB-CD1 4.15Å; E1651-I1653 HydrophobicContact CB-CG1 4.31Å; E1651-K1682 WeakPolarHBondContact CA-O 3.34Å; E1651-K1682 HydrophobicContact CG-CB 4.4Å; E1651-K1682 HydrophobicContact CG-CD 4.41Å; E1651-K1682 WeakPolarHBondContact OE1-CD 3.31Å; E1651-K1682 IonicContact OE1-NZ 3.35Å; E1651-K1682 PolarHBondContact OE1-NZ 3.18Å
1652	F	96.1	Very high	91.5	Very high	1 Å²	1	21 Å²	21	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	108.8	174.9	-66.6	-101.1	0	0	0	108.9	I1605 M1613 I1647 C1650 S1659 L1660 K1682 F1683 I1684 N1686	I1605-F1652 HydrophobicContact CB-CD1 4.12Å; I1605-F1652 HydrophobicContact CB-CE1 4.34Å; I1605-F1652 HydrophobicContact CD1-CD1 4.35Å; I1605-F1652 HydrophobicContact CD1-CE1 3.69Å; I1605-F1652 HydrophobicContact CD1-CZ 3.96Å; I1605-F1652 HydrophobicContact CG1-CE1 4.47Å; I1605-F1652 HydrophobicContact CG2-CD1 4.3Å; I1605-F1652 HydrophobicContact CG2-CE1 4.36Å; I1605-F1652 WeakPolarHBondContact O-CA 3.34Å; M1613-F1652 HydrophobicContact CB-CE1 4.16Å; M1613-F1652 HydrophobicContact CE-CE1 4.48Å; M1613-F1652 HydrophobicContact CE-CZ 3.91Å; M1613-F1652 HydrophobicContact CG-CE1 3.81Å; M1613-F1652 HydrophobicContact CG-CZ 4.1Å; M1613-F1652 HydrophobicContact SD-CE1 4.1Å; M1613-F1652 HydrophobicContact SD-CZ 3.75Å; I1647-F1652 HydrophobicContact CG2-CE2 4.3Å; I1647-F1652 HydrophobicContact CG2-CZ 4.46Å; C1650-F1652 HydrophobicContact CB-CE2 4Å; F1652-S1659 WeakPolarHBondContact CD1-O 3.38Å; F1652-S1659 VanDerWaalsContact CE1-O 3.26Å; F1652-S1659 WeakPolarHBondContact CE1-O 3.39Å; F1652-L1660 HydrophobicContact CE1-CD2 3.77Å; F1652-L1660 HydrophobicContact CE1-CG 4.35Å; F1652-L1660 HydrophobicContact CZ-CD2 3.72Å; F1652-L1660 HydrophobicContact CZ-CG 4.34Å; F1652-K1682 PolarHBondContact N-O 3.03Å; F1652-F1683 HydrophobicContact CB-CD1 3.6Å; F1652-F1683 HydrophobicContact CB-CE1 4.04Å; F1652-F1683 HydrophobicContact CB-CG 4.43Å; F1652-F1683 HydrophobicContact CD1-CE1 4.29Å; F1652-F1683 AromaticContact CD2-CD1 3.73Å; F1652-F1683 HydrophobicContact CD2-CD1 3.73Å; F1652-F1683 AromaticContact CD2-CE1 3.31Å; F1652-F1683 HydrophobicContact CD2-CE1 3.31Å; F1652-F1683 AromaticContact CD2-CZ 3.9Å; F1652-F1683 HydrophobicContact CD2-CZ 3.9Å; F1652-F1683 AromaticContact CE2-CE1 3.73Å; F1652-F1683 HydrophobicContact CE2-CE1 3.73Å; F1652-F1683 AromaticContact CE2-CZ 3.98Å; F1652-F1683 HydrophobicContact CE2-CZ 4.04Å; F1652-F1683 AromaticContact CG-CD1 3.75Å; F1652-F1683 HydrophobicContact CG-CD1 3.75Å; F1652-F1683 AromaticContact CG-CE1 3.64Å; F1652-F1683 HydrophobicContact CG-CE1 3.64Å; F1652-F1683 HydrophobicContact CZ-CE1 4.36Å; F1652-F1683 WeakPolarHBondContact O-CA 3.35Å; F1652-I1684 PolarHBondContact O-N 3.13Å; F1652-N1686 PolarHBondContact O-ND2 2.92Å; F1652-N1686 PolarHBondContact O-OD1 3.14Å
1653	I	94.8	Very high	91.2	Very high	19 Å²	19	20.9 Å²	20.9	10%	0.097	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	131.6	-170.8	-49.1	-179.8	0	0	0	111.5	I1605 R1606 N1607 E1651 N1655 I1684	I1605-I1653 PolarHBondContact O-N 3.18Å; I1605-I1653 VanDerWaalsContact O-N 3.08Å; R1606-I1653 CarbonylContact C-O 3.53Å; R1606-I1653 WeakPolarHBondContact CA-O 3.34Å; R1606-I1653 HydrophobicContact CB-CB 4.48Å; R1606-I1653 HydrophobicContact CG-CB 4.05Å; R1606-I1653 HydrophobicContact CG-CG1 4.29Å; N1607-I1653 PolarHBondContact N-O 2.87Å; E1651-I1653 HydrophobicContact CB-CD1 4.15Å; E1651-I1653 HydrophobicContact CB-CG1 4.31Å; I1653-N1655 VanDerWaalsContact C-N 3.29Å; I1653-N1655 PolarHBondContact N-ND2 3.09Å; I1653-N1655 PolarHBondContact O-N 3.02Å; I1653-N1655 PolarHBondContact O-ND2 2.7Å; I1653-I1684 VanDerWaalsContact CA-O 3.3Å; I1653-I1684 WeakPolarHBondContact CA-O 3.29Å; I1653-I1684 HydrophobicContact CD1-CD1 4.42Å; I1653-I1684 HydrophobicContact CG1-CB 4.29Å; I1653-I1684 HydrophobicContact CG2-CB 4.32Å; I1653-I1684 HydrophobicContact CG2-CG2 4.31Å; I1653-I1684 WeakPolarHBondContact CG2-O 3.18Å
1654	H	92.3	Very high	90.4	Very high	71.8 Å²	71.8	21.4 Å²	21.4	33%	0.332	11%	0.105	S	C	.	.	S	Bend	trans	53.5	37.1	175.9	-56.8	113.7	0	0	0	114.8	N1607 I1684 E1685 N1686	N1607-H1654 VanDerWaalsContact CA-O 3.29Å; N1607-H1654 WeakPolarHBondContact CA-O 3.41Å; N1607-H1654 PolarHBondContact N-O 2.95Å; N1607-H1654 WeakPolarHBondContact OD1-CB 3.35Å; N1607-H1654 PolarHBondContact OD1-ND1 2.96Å; H1654-I1684 PolarHBondContact N-O 3.05Å; H1654-E1685 WeakPolarHBondContact CA-O 3.36Å; H1654-E1685 IonicContact CD2-OE2 3.18Å; H1654-E1685 IonicContact CE1-OE2 3.24Å; H1654-E1685 PolarHBondContact CE1-OE2 2.94Å; H1654-E1685 IonicContact ND1-OE2 3.8Å; H1654-E1685 IonicContact NE2-OE2 3.15Å; H1654-E1685 PolarHBondContact NE2-OE2 2.91Å; H1654-E1685 VanDerWaalsContact NE2-OE2 3.13Å; H1654-N1686 PolarHBondContact N-OD1 3.01Å
1655	N	90.4	Very high	89	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.			trans	-86.3	125.8	171.8	-58.6	-76.1	0	0	0	109.5	I1605 N1608 I1653 Y1657 G1658 N1686 G1687	I1605-N1655 PolarHBondContact O-ND2 3.29Å; N1608-N1655 WeakPolarHBondContact CB-OD1 3.34Å; N1608-N1655 PolarHBondContact N-OD1 2.9Å; N1608-N1655 PolarHBondContact ND2-OD1 3.13Å; I1653-N1655 VanDerWaalsContact C-N 3.29Å; I1653-N1655 PolarHBondContact N-ND2 3.09Å; I1653-N1655 PolarHBondContact O-N 3.02Å; I1653-N1655 PolarHBondContact O-ND2 2.7Å; N1655-Y1657 PolarHBondContact O-N 3.04Å; N1655-G1658 VanDerWaalsContact CB-O 3.31Å; N1655-G1658 WeakPolarHBondContact CB-O 3.27Å; N1655-G1658 PolarHBondContact O-N 2.75Å; N1655-N1686 WeakPolarHBondContact CB-OD1 3.32Å; N1655-N1686 PolarHBondContact N-OD1 3.11Å; N1655-N1686 PolarHBondContact ND2-OD1 3.11Å; N1655-N1686 CarbonylContact O-C 3.51Å; N1655-N1686 WeakPolarHBondContact O-CA 3.29Å; N1655-G1687 PolarHBondContact O-N 2.85Å
1656	N	84.5	Confident	87	Confident	25.4 Å²	25.4	25.4 Å²	25.4	14%	0.136	13%	0.131	C	C	.	.	S	Bend	trans	-65.2	-40.7	-164.3	-72.3	-9.8	0	0	0	115.1	N1608 L1609 Y1610 G1687 L1688 H1714	N1608-N1656 PolarHBondContact O-N 3.11Å; N1608-N1656 VanDerWaalsContact O-N 3.15Å; L1609-N1656 VanDerWaalsContact O-CB 3.26Å; L1609-N1656 WeakPolarHBondContact O-CB 3.3Å; L1609-N1656 PolarHBondContact O-ND2 3.03Å; L1609-N1656 VanDerWaalsContact O-ND2 3.14Å; Y1610-N1656 PolarHBondContact O-N 3.21Å; N1656-G1687 CarbonylContact O-C 3.53Å; N1656-G1687 VanDerWaalsContact O-C 3.29Å; N1656-G1687 VanDerWaalsContact O-CA 3.24Å; N1656-G1687 WeakPolarHBondContact O-CA 3.38Å; N1656-L1688 CarbonylContact C-O 3.45Å; N1656-L1688 WeakPolarHBondContact CA-O 3.35Å; N1656-L1688 HydrophobicContact CB-CD1 3.64Å; N1656-L1688 HydrophobicContact CB-CG 4Å; N1656-L1688 WeakPolarHBondContact CB-O 3.4Å; N1656-L1688 CarbonylContact O-C 3.54Å; N1656-L1688 WeakPolarHBondContact O-CG 3.33Å; N1656-L1688 PolarHBondContact O-N 3.24Å; N1656-L1688 VanDerWaalsContact O-N 3.1Å; N1656-L1688 VanDerWaalsContact O-O 3.08Å; N1656-L1688 PolarHBondContact OD1-O 2.9Å; N1656-H1714 PolarHBondContact O-ND1 3.18Å
1657	Y	74.6	Confident	85.2	Confident	52.8 Å²	52.8	24.2 Å²	24.2	21%	0.207	13%	0.125	C	C	.	.	S	Bend	trans	-103.6	-13.8	-175.7	-93.4	-96.9	0	0	0	113.1	Y1610 N1655 Y1709 S1711 F1712 H1714	Y1610-Y1657 HydrophobicContact CD2-CD1 4.17Å; Y1610-Y1657 AromaticContact CD2-CD2 3.59Å; Y1610-Y1657 HydrophobicContact CD2-CD2 3.59Å; Y1610-Y1657 VanDerWaalsContact CD2-CD2 3.48Å; Y1610-Y1657 HydrophobicContact CD2-CE2 4.06Å; Y1610-Y1657 AromaticContact CD2-CG 3.57Å; Y1610-Y1657 HydrophobicContact CD2-CG 3.57Å; Y1610-Y1657 VanDerWaalsContact CD2-CG 3.46Å; Y1610-Y1657 HydrophobicContact CE1-CD1 4.4Å; Y1610-Y1657 AromaticContact CE2-CD1 3.68Å; Y1610-Y1657 HydrophobicContact CE2-CD1 3.76Å; Y1610-Y1657 AromaticContact CE2-CD2 3.67Å; Y1610-Y1657 HydrophobicContact CE2-CD2 3.92Å; Y1610-Y1657 AromaticContact CE2-CE1 3.86Å; Y1610-Y1657 HydrophobicContact CE2-CE1 4.14Å; Y1610-Y1657 AromaticContact CE2-CE2 3.86Å; Y1610-Y1657 HydrophobicContact CE2-CE2 4.04Å; Y1610-Y1657 AromaticContact CE2-CG 3.58Å; Y1610-Y1657 HydrophobicContact CE2-CG 3.58Å; Y1610-Y1657 VanDerWaalsContact CE2-CG 3.46Å; Y1610-Y1657 AromaticContact CE2-CZ 4Å; Y1610-Y1657 HydrophobicContact CG-CD2 4.44Å; Y1610-Y1657 HydrophobicContact CG-CG 4.44Å; Y1610-Y1657 AromaticContact CZ-CD1 3.63Å; Y1610-Y1657 AromaticContact CZ-CE1 3.86Å; Y1610-Y1657 AromaticContact CZ-CG 3.94Å; Y1610-Y1657 WeakPolarHBondContact O-CA 3.32Å; Y1610-Y1657 WeakPolarHBondContact O-CB 3.41Å; Y1610-Y1657 PolarHBondContact O-N 2.67Å; Y1610-Y1657 WeakPolarHBondContact OH-CE1 3.23Å; N1655-Y1657 PolarHBondContact O-N 3.04Å; Y1657-Y1709 PolarHBondContact OH-O 3.08Å; Y1657-S1711 WeakPolarHBondContact CE1-OG 3.11Å; Y1657-S1711 PolarHBondContact OH-N 3.15Å; Y1657-S1711 PolarHBondContact OH-O 2.84Å; Y1657-S1711 PolarHBondContact OH-OG 2.82Å; Y1657-F1712 HydrophobicContact CE1-CD1 4.34Å; Y1657-H1714 WeakPolarHBondContact CA-ND1 3.39Å; Y1657-H1714 AromaticContact CD1-CE1 3.68Å; Y1657-H1714 VanDerWaalsContact CD1-CE1 3.47Å; Y1657-H1714 WeakPolarHBondContact CD1-CE1 3.38Å; Y1657-H1714 AromaticContact CD1-NE2 3.86Å; Y1657-H1714 AromaticContact CD2-CD2 3.97Å; Y1657-H1714 AromaticContact CD2-NE2 3.64Å; Y1657-H1714 AromaticContact CE1-CE1 3.74Å; Y1657-H1714 AromaticContact CE1-NE2 3.93Å; Y1657-H1714 AromaticContact CE2-NE2 3.74Å; Y1657-H1714 AromaticContact CG-CD2 3.97Å; Y1657-H1714 AromaticContact CG-CE1 3.97Å; Y1657-H1714 VanDerWaalsContact O-CA 3.24Å; Y1657-H1714 WeakPolarHBondContact O-CA 3.28Å; Y1657-H1714 WeakPolarHBondContact O-CB 3.4Å; Y1657-H1714 PolarHBondContact O-CD2 2.85Å; Y1657-H1714 VanDerWaalsContact O-CD2 3.22Å; Y1657-H1714 VanDerWaalsContact O-CG 3.31Å; Y1657-H1714 PolarHBondContact O-ND1 2.81Å
1658	G	78.5	Confident	83.3	Confident	1.8 Å²	1.8	28.1 Å²	28.1	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.5	-179.8	-179.5	0	0	0	0	0	113.3	T1611 G1612 N1655	T1611-G1658 WeakPolarHBondContact CA-O 3.46Å; T1611-G1658 PolarHBondContact OG1-O 2.99Å; G1612-G1658 PolarHBondContact N-O 3.12Å; G1612-G1658 VanDerWaalsContact N-O 3.12Å; N1655-G1658 VanDerWaalsContact CB-O 3.31Å; N1655-G1658 WeakPolarHBondContact CB-O 3.27Å; N1655-G1658 PolarHBondContact O-N 2.75Å
1659	S	87.7	Confident	81.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-52.3	-175.2	-16.3	0	0	0	0	112.1	G1612 M1613 F1652 F1683 N1686 G1715 L1716	G1612-S1659 CarbonylContact C-O 3.49Å; G1612-S1659 WeakPolarHBondContact CA-O 3.27Å; G1612-S1659 PolarHBondContact N-O 3.09Å; M1613-S1659 PolarHBondContact N-O 2.95Å; F1652-S1659 WeakPolarHBondContact CD1-O 3.38Å; F1652-S1659 VanDerWaalsContact CE1-O 3.26Å; F1652-S1659 WeakPolarHBondContact CE1-O 3.39Å; S1659-F1683 VanDerWaalsContact CB-CD1 3.45Å; S1659-F1683 WeakPolarHBondContact OG-CD1 3.4Å; S1659-N1686 PolarHBondContact OG-ND2 3.09Å; S1659-G1715 PolarHBondContact N-O 3.21Å; S1659-G1715 VanDerWaalsContact N-O 3.1Å; S1659-G1715 PolarHBondContact OG-O 2.99Å; S1659-L1716 WeakPolarHBondContact OG-CD1 3.37Å
1660	L	91.1	Very high	80.7	Confident	2.2 Å²	2.2	25.4 Å²	25.4	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	112.6	-176.7	-162.7	93.5	0	0	0	109.6	M1613 I1615 I1647 F1652 I1662 I1678 F1683 G1715 L1716 Q1717 F1718	M1613-L1660 HydrophobicContact CB-CD1 3.75Å; M1613-L1660 HydrophobicContact CB-CD2 3.67Å; M1613-L1660 HydrophobicContact CG-CD1 3.75Å; M1613-L1660 HydrophobicContact CG-CD2 3.97Å; M1613-L1660 WeakPolarHBondContact O-CA 3.31Å; M1613-L1660 HydrophobicContact SD-CD1 3.84Å; M1613-L1660 HydrophobicContact SD-CD2 3.75Å; I1615-L1660 HydrophobicContact CD1-CD1 4.05Å; I1615-L1660 HydrophobicContact CG1-CD1 4.46Å; I1647-L1660 HydrophobicContact CD1-CD1 4.14Å; I1647-L1660 HydrophobicContact CD1-CD2 4.22Å; F1652-L1660 HydrophobicContact CE1-CD2 3.77Å; F1652-L1660 HydrophobicContact CE1-CG 4.35Å; F1652-L1660 HydrophobicContact CZ-CD2 3.72Å; F1652-L1660 HydrophobicContact CZ-CG 4.34Å; L1660-I1662 HydrophobicContact CD1-CD1 4.47Å; L1660-I1662 HydrophobicContact CD1-CG1 4.33Å; L1660-I1662 HydrophobicContact CD2-CD1 3.87Å; L1660-I1662 VanDerWaalsContact CD2-CD1 3.49Å; L1660-I1662 HydrophobicContact CD2-CG1 4.06Å; L1660-I1662 HydrophobicContact CG-CD1 4.19Å; L1660-I1662 HydrophobicContact CG-CG1 4.17Å; L1660-I1678 HydrophobicContact CD1-CD1 3.63Å; L1660-I1678 HydrophobicContact CD2-CD1 3.65Å; L1660-I1678 VanDerWaalsContact CD2-CD1 3.47Å; L1660-F1683 HydrophobicContact CD1-CE1 4.33Å; L1660-F1683 HydrophobicContact CD1-CZ 4.31Å; L1660-F1683 HydrophobicContact CG-CE1 4.4Å; L1660-G1715 PolarHBondContact N-O 3.06Å; L1660-G1715 VanDerWaalsContact N-O 3.09Å; L1660-L1716 HydrophobicContact CB-CD2 3.9Å; L1660-L1716 HydrophobicContact CB-CG 4.18Å; L1660-L1716 HydrophobicContact CD1-CD2 3.97Å; L1660-L1716 HydrophobicContact CD1-CG 4.2Å; L1660-L1716 HydrophobicContact CD2-CD2 3.85Å; L1660-L1716 HydrophobicContact CG-CD2 4.23Å; L1660-L1716 HydrophobicContact CG-CG 4.47Å; L1660-L1716 WeakPolarHBondContact O-CA 3.34Å; L1660-Q1717 PolarHBondContact O-N 3.15Å; L1660-Q1717 VanDerWaalsContact O-N 3.13Å; L1660-F1718 HydrophobicContact CD2-CE1 4.28Å; L1660-F1718 HydrophobicContact CD2-CZ 4.07Å
1661	L	88.1	Confident	79.8	Confident	6.8 Å²	6.8	25.5 Å²	25.5	4%	0.036	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.3	177.9	178.5	58.2	0	0	0	108.6	Y1610 T1611 M1613 N1614 I1615 E1663 H1713 Q1717	Y1610-L1661 HydrophobicContact CE1-CD2 4.2Å; T1611-L1661 HydrophobicContact CG2-CB 4.27Å; T1611-L1661 HydrophobicContact CG2-CD2 4.43Å; M1613-L1661 PolarHBondContact O-N 3.14Å; N1614-L1661 CarbonylContact C-O 3.53Å; N1614-L1661 VanDerWaalsContact CA-O 3.3Å; N1614-L1661 WeakPolarHBondContact CA-O 3.38Å; N1614-L1661 PolarHBondContact OD1-O 3.08Å; I1615-L1661 PolarHBondContact N-O 3.12Å; L1661-E1663 HydrophobicContact CD1-CG 3.89Å; L1661-E1663 HydrophobicContact CD2-CG 4.33Å; L1661-E1663 VanDerWaalsContact CD2-OE1 3.27Å; L1661-E1663 WeakPolarHBondContact CD2-OE1 3.44Å; L1661-E1663 HydrophobicContact CG-CG 3.88Å; L1661-H1713 HydrophobicContact CD1-CB 3.89Å; L1661-H1713 HydrophobicContact CD2-CB 4.26Å; L1661-Q1717 HydrophobicContact CD1-CB 4.2Å; L1661-Q1717 HydrophobicContact CD1-CG 4.46Å
1662	I	88.6	Confident	79.3	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	102.1	178.1	-60.2	160.3	0	0	0	108.3	I1615 L1660 H1664 Y1676 Q1717 F1718 Y1719	I1615-I1662 HydrophobicContact CB-CG1 4.1Å; I1615-I1662 HydrophobicContact CB-CG2 4.35Å; I1615-I1662 HydrophobicContact CD1-CD1 4.45Å; I1615-I1662 HydrophobicContact CD1-CG1 4.07Å; I1615-I1662 HydrophobicContact CG1-CG1 4.4Å; I1615-I1662 HydrophobicContact CG2-CG2 4.44Å; I1615-I1662 CarbonylContact O-C 3.54Å; I1615-I1662 WeakPolarHBondContact O-CA 3.3Å; L1660-I1662 HydrophobicContact CD1-CD1 4.47Å; L1660-I1662 HydrophobicContact CD1-CG1 4.33Å; L1660-I1662 HydrophobicContact CD2-CD1 3.87Å; L1660-I1662 VanDerWaalsContact CD2-CD1 3.49Å; L1660-I1662 HydrophobicContact CD2-CG1 4.06Å; L1660-I1662 HydrophobicContact CG-CD1 4.19Å; L1660-I1662 HydrophobicContact CG-CG1 4.17Å; I1662-H1664 VanDerWaalsContact CG2-NE2 3.35Å; I1662-H1664 WeakPolarHBondContact CG2-NE2 3.26Å; I1662-Y1676 HydrophobicContact CD1-CD1 4Å; I1662-Y1676 HydrophobicContact CD1-CD2 4.41Å; I1662-Y1676 HydrophobicContact CD1-CE1 3.64Å; I1662-Y1676 VanDerWaalsContact CD1-CE1 3.47Å; I1662-Y1676 HydrophobicContact CD1-CE2 4.2Å; I1662-Y1676 HydrophobicContact CD1-CG 4.37Å; I1662-Y1676 HydrophobicContact CG1-CE1 4.28Å; I1662-Y1676 HydrophobicContact CG2-CE1 4.44Å; I1662-Y1676 HydrophobicContact CG2-CE2 4.22Å; I1662-Y1676 VanDerWaalsContact CG2-OH 3.23Å; I1662-Y1676 WeakPolarHBondContact CG2-OH 3.43Å; I1662-Q1717 WeakPolarHBondContact CA-O 3.17Å; I1662-Q1717 VanDerWaalsContact CB-O 3.28Å; I1662-Q1717 WeakPolarHBondContact CB-O 3.29Å; I1662-Q1717 PolarHBondContact N-O 3.1Å; I1662-Q1717 VanDerWaalsContact N-O 3.11Å; I1662-F1718 HydrophobicContact CB-CD1 4.41Å; I1662-F1718 HydrophobicContact CD1-CD1 3.26Å; I1662-F1718 VanDerWaalsContact CD1-CD1 3.42Å; I1662-F1718 HydrophobicContact CD1-CE1 3.21Å; I1662-F1718 HydrophobicContact CD1-CG 4.06Å; I1662-F1718 HydrophobicContact CD1-CZ 3.99Å; I1662-F1718 HydrophobicContact CG1-CD1 4.49Å; I1662-Y1719 WeakPolarHBondContact O-CD2 3.34Å; I1662-Y1719 PolarHBondContact O-N 3.14Å; I1662-Y1719 VanDerWaalsContact O-N 3.15Å
1663	E	80.4	Confident	78.9	Confident	55.2 Å²	55.2	24 Å²	24	26%	0.258	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113.5	-178	-68.4	178	156.2	0	0	109.9	I1615 I1616 S1617 L1661 N1665 H1713 Y1719	I1615-E1663 PolarHBondContact O-N 2.96Å; I1616-E1663 CarbonylContact C-O 3.36Å; I1616-E1663 WeakPolarHBondContact CA-O 3.36Å; S1617-E1663 PolarHBondContact N-O 2.97Å; L1661-E1663 HydrophobicContact CD1-CG 3.89Å; L1661-E1663 HydrophobicContact CD2-CG 4.33Å; L1661-E1663 VanDerWaalsContact CD2-OE1 3.27Å; L1661-E1663 WeakPolarHBondContact CD2-OE1 3.44Å; L1661-E1663 HydrophobicContact CG-CG 3.88Å; E1663-N1665 PolarHBondContact O-N 2.89Å; E1663-H1713 IonicContact OE1-CD2 3.95Å; E1663-H1713 IonicContact OE1-NE2 3.58Å; E1663-Y1719 HydrophobicContact CG-CD2 4.21Å; E1663-Y1719 HydrophobicContact CG-CE2 4.4Å
1664	H	75.5	Confident	78.7	Confident	11.8 Å²	11.8	23.2 Å²	23.2	6%	0.055	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.7	166.3	-65.1	-71.6	0	0	0	109.1	N1580 S1617 I1662 A1670 W1674 Y1676 Y1719 P1721	N1580-H1664 PolarHBondContact ND2-CE1 2.94Å; S1617-H1664 VanDerWaalsContact CB-CG 3.46Å; S1617-H1664 VanDerWaalsContact CB-ND1 3.33Å; S1617-H1664 WeakPolarHBondContact CB-ND1 3.26Å; S1617-H1664 PolarHBondContact OG-CE1 3.31Å; S1617-H1664 PolarHBondContact OG-ND1 3.06Å; I1662-H1664 VanDerWaalsContact CG2-NE2 3.35Å; I1662-H1664 WeakPolarHBondContact CG2-NE2 3.26Å; H1664-A1670 VanDerWaalsContact CE1-CB 3.46Å; H1664-A1670 WeakPolarHBondContact CE1-CB 3.32Å; H1664-W1674 AromaticContact CD2-CD1 3.61Å; H1664-W1674 AromaticContact CD2-CD2 3.74Å; H1664-W1674 AromaticContact CD2-CE2 3.63Å; H1664-W1674 AromaticContact CD2-CG 3.75Å; H1664-W1674 AromaticContact CD2-NE1 3.48Å; H1664-W1674 PolarHBondContact CD2-NE1 2.7Å; H1664-W1674 AromaticContact CE1-CD1 3.81Å; H1664-W1674 AromaticContact CE1-CD2 3.54Å; H1664-W1674 VanDerWaalsContact CE1-CD2 3.44Å; H1664-W1674 AromaticContact CE1-CE2 3.22Å; H1664-W1674 AromaticContact CE1-CE3 3.7Å; H1664-W1674 VanDerWaalsContact CE1-CE3 3.49Å; H1664-W1674 AromaticContact CE1-CG 3.89Å; H1664-W1674 AromaticContact CE1-CH2 3.55Å; H1664-W1674 WeakPolarHBondContact CE1-CH2 3.41Å; H1664-W1674 AromaticContact CE1-CZ2 3.27Å; H1664-W1674 WeakPolarHBondContact CE1-CZ2 3.41Å; H1664-W1674 AromaticContact CE1-CZ3 3.65Å; H1664-W1674 VanDerWaalsContact CE1-CZ3 3.44Å; H1664-W1674 WeakPolarHBondContact CE1-CZ3 3.36Å; H1664-W1674 AromaticContact CE1-NE1 3.54Å; H1664-W1674 PolarHBondContact CE1-NE1 2.94Å; H1664-W1674 VanDerWaalsContact CE1-NE1 3.35Å; H1664-W1674 AromaticContact CG-CE2 3.79Å; H1664-W1674 AromaticContact CG-CZ2 3.8Å; H1664-W1674 AromaticContact CG-NE1 3.73Å; H1664-W1674 AromaticContact ND1-CE2 3.62Å; H1664-W1674 VanDerWaalsContact ND1-CE2 3.34Å; H1664-W1674 AromaticContact ND1-CH2 3.82Å; H1664-W1674 AromaticContact ND1-CZ2 3.45Å; H1664-W1674 VanDerWaalsContact ND1-CZ2 3.26Å; H1664-W1674 WeakPolarHBondContact ND1-CZ2 3.37Å; H1664-W1674 AromaticContact ND1-NE1 3.73Å; H1664-W1674 PolarHBondContact ND1-NE1 3.4Å; H1664-W1674 AromaticContact NE2-CD1 3.73Å; H1664-W1674 AromaticContact NE2-CD2 3.21Å; H1664-W1674 AromaticContact NE2-CE2 3.3Å; H1664-W1674 AromaticContact NE2-CE3 3.62Å; H1664-W1674 AromaticContact NE2-CG 3.53Å; H1664-W1674 AromaticContact NE2-CH2 3.98Å; H1664-W1674 AromaticContact NE2-CZ2 3.77Å; H1664-W1674 AromaticContact NE2-CZ3 4Å; H1664-W1674 AromaticContact NE2-NE1 3.63Å; H1664-Y1676 PolarHBondContact CE1-OH 2.89Å; H1664-Y1676 VanDerWaalsContact CE1-OH 3.26Å; H1664-Y1676 AromaticContact NE2-CZ 3.84Å; H1664-Y1676 PolarHBondContact NE2-OH 3.17Å; H1664-Y1719 HydrophobicContact CB-CD1 3.63Å; H1664-Y1719 HydrophobicContact CB-CE1 3.86Å; H1664-Y1719 HydrophobicContact CB-CG 4.46Å; H1664-Y1719 VanDerWaalsContact CB-O 3.27Å; H1664-Y1719 WeakPolarHBondContact CB-O 3.27Å; H1664-Y1719 PolarHBondContact CD2-O 3.09Å; H1664-Y1719 VanDerWaalsContact CD2-O 3.24Å; H1664-Y1719 AromaticContact CG-CD1 3.99Å; H1664-Y1719 PolarHBondContact NE2-O 2.83Å; H1664-Y1719 WeakPolarHBondContact O-CD1 3.29Å; H1664-Y1719 VanDerWaalsContact O-CE1 3.28Å; H1664-Y1719 WeakPolarHBondContact O-CE1 3.3Å; H1664-P1721 HydrophobicContact CB-CB 4.4Å; H1664-P1721 HydrophobicContact CB-CG 4.13Å; H1664-P1721 WeakPolarHBondContact CD2-CB 3.12Å; H1664-P1721 WeakPolarHBondContact NE2-CB 3.3Å
1665	N	64.8	Low	78.8	Confident	36 Å²	36	20.6 Å²	20.6	19%	0.193	11%	0.106	C	C	.	.			trans	-51.6	138.7	-177.1	-165	17	0	0	0	111.2	S1617 T1619 T1622 E1663 I1667	S1617-N1665 VanDerWaalsContact O-CB 3.28Å; S1617-N1665 WeakPolarHBondContact O-CB 3.25Å; S1617-N1665 PolarHBondContact O-N 2.83Å; S1617-N1665 VanDerWaalsContact O-N 3.13Å; T1619-N1665 HydrophobicContact CG2-CB 3.94Å; T1619-N1665 WeakPolarHBondContact CG2-ND2 3.39Å; T1619-N1665 PolarHBondContact OG1-ND2 3.02Å; T1622-N1665 HydrophobicContact CG2-CB 4.27Å; T1622-N1665 VanDerWaalsContact CG2-CG 3.47Å; T1622-N1665 VanDerWaalsContact CG2-ND2 3.29Å; T1622-N1665 WeakPolarHBondContact CG2-ND2 3.41Å; E1663-N1665 PolarHBondContact O-N 2.89Å; N1665-I1667 HydrophobicContact CB-CD1 4.33Å; N1665-I1667 HydrophobicContact CB-CG1 4.39Å; N1665-I1667 WeakPolarHBondContact ND2-CD1 3.35Å; N1665-I1667 WeakPolarHBondContact ND2-CG1 3.2Å; N1665-I1667 PolarHBondContact O-N 2.97Å
1666	P	55.2	Low	79.1	Confident	81.4 Å²	81.4	20.6 Å²	20.6	53%	0.529	11%	0.106	S	C	.	.	S	Bend	trans	-71.4	34.8	-176.8	29.5	-37	0	0	0	114.1	Y1709 R2192 Y2195	P1666-Y1709 HydrophobicContact CG-CE2 4.49Å; P1666-R2192 HydrophobicContact CB-CB 4.26Å; P1666-Y2195 PolarHBondContact O-OH 2.83Å
1667	I	58	Low	79.7	Confident	18.6 Å²	18.6	22 Å²	22	10%	0.095	11%	0.112	C	C	.	.			trans	-83.7	141.9	175.3	-61.9	-177.7	0	0	0	107.7	T1619 F1621 F1633 N1665 Y1669	T1619-I1667 VanDerWaalsContact CB-CD1 3.48Å; T1619-I1667 HydrophobicContact CG2-CD1 3.71Å; T1619-I1667 VanDerWaalsContact CG2-CD1 3.44Å; T1619-I1667 HydrophobicContact CG2-CG1 4.39Å; T1619-I1667 HydrophobicContact CG2-CG2 4.33Å; T1619-I1667 VanDerWaalsContact OG1-CD1 3.24Å; T1619-I1667 WeakPolarHBondContact OG1-CD1 3.35Å; F1621-I1667 HydrophobicContact CB-CD1 3.94Å; F1621-I1667 HydrophobicContact CD2-CD1 3.77Å; F1621-I1667 VanDerWaalsContact CD2-CD1 3.43Å; F1621-I1667 HydrophobicContact CE2-CD1 4.27Å; F1621-I1667 HydrophobicContact CG-CD1 4.05Å; F1633-I1667 HydrophobicContact CD1-CG2 4.07Å; F1633-I1667 HydrophobicContact CE1-CB 4.46Å; F1633-I1667 HydrophobicContact CE1-CG1 4.45Å; F1633-I1667 HydrophobicContact CE1-CG2 3.96Å; F1633-I1667 HydrophobicContact CE2-CB 4.21Å; F1633-I1667 HydrophobicContact CE2-CD1 3.87Å; F1633-I1667 HydrophobicContact CE2-CG1 3.72Å; F1633-I1667 HydrophobicContact CE2-CG2 3.89Å; F1633-I1667 HydrophobicContact CZ-CB 3.64Å; F1633-I1667 HydrophobicContact CZ-CD1 4.21Å; F1633-I1667 HydrophobicContact CZ-CG1 3.59Å; F1633-I1667 HydrophobicContact CZ-CG2 3.7Å; N1665-I1667 HydrophobicContact CB-CD1 4.33Å; N1665-I1667 HydrophobicContact CB-CG1 4.39Å; N1665-I1667 WeakPolarHBondContact ND2-CD1 3.35Å; N1665-I1667 WeakPolarHBondContact ND2-CG1 3.2Å; N1665-I1667 PolarHBondContact O-N 2.97Å; I1667-Y1669 HydrophobicContact CG2-CD1 3.82Å; I1667-Y1669 HydrophobicContact CG2-CE1 3.72Å; I1667-Y1669 VanDerWaalsContact CG2-CE1 3.49Å; I1667-Y1669 VanDerWaalsContact CG2-O 3.3Å; I1667-Y1669 WeakPolarHBondContact CG2-O 3.37Å; I1667-Y1669 PolarHBondContact O-N 3.12Å; I1667-Y1669 VanDerWaalsContact O-N 3.16Å
1668	E	58.9	Low	80.7	Confident	84.4 Å²	84.4	19.6 Å²	19.6	39%	0.394	10%	0.102	S	C	.	.	S	Bend	trans	-60.7	-17.2	-174	-99.8	-176	162.8	0	0	113.3	Y1630 F1633 F1722 I2435 I2466 H2520	Y1630-E1668 WeakPolarHBondContact CD2-OE2 3.41Å; Y1630-E1668 WeakPolarHBondContact CE2-OE1 3.36Å; Y1630-E1668 WeakPolarHBondContact CE2-OE2 3.48Å; F1633-E1668 HydrophobicContact CE1-CB 4.21Å; E1668-F1722 WeakPolarHBondContact O-CB 3.4Å; E1668-F1722 WeakPolarHBondContact O-CD1 3.18Å; E1668-F1722 VanDerWaalsContact O-CG 3.3Å; E1668-F1722 WeakPolarHBondContact O-CG 3.43Å; E1668-F1722 PolarHBondContact O-N 2.95Å; E1668-I2435 HydrophobicContact CG-CD1 4.12Å; E1668-I2466 HydrophobicContact CG-CG1 4.48Å; E1668-I2466 WeakPolarHBondContact OE2-CA 3.36Å; E1668-H2520 IonicContact OE1-CD2 2.84Å; E1668-H2520 IonicContact OE1-CE1 2.63Å; E1668-H2520 IonicContact OE1-NE2 3.23Å; E1668-H2520 PolarHBondContact OE1-NE2 3.11Å
1669	Y	65.3	Low	81.6	Confident	21.2 Å²	21.2	22.2 Å²	22.2	8%	0.083	11%	0.113	C	C	.	.			trans	-139.1	144.2	178.4	28.2	-74.9	0	0	0	112.8	F1621 Y1630 F1633 I1667 F1722	F1621-Y1669 WeakPolarHBondContact CE2-OH 3.44Å; Y1630-Y1669 AromaticContact CE2-CE2 3.79Å; Y1630-Y1669 HydrophobicContact CE2-CE2 4.01Å; Y1630-Y1669 PolarHBondContact OH-OH 2.97Å; F1633-Y1669 HydrophobicContact CB-CE1 4.45Å; F1633-Y1669 AromaticContact CD1-CD1 3.21Å; F1633-Y1669 HydrophobicContact CD1-CD1 3.6Å; F1633-Y1669 AromaticContact CD1-CE1 3.34Å; F1633-Y1669 HydrophobicContact CD1-CE1 3.34Å; F1633-Y1669 AromaticContact CD1-CG 3.86Å; F1633-Y1669 HydrophobicContact CD1-CG 3.86Å; F1633-Y1669 AromaticContact CD1-CZ 3.78Å; F1633-Y1669 HydrophobicContact CD2-CE1 4.44Å; F1633-Y1669 AromaticContact CE1-CD1 3.33Å; F1633-Y1669 HydrophobicContact CE1-CD1 3.33Å; F1633-Y1669 AromaticContact CE1-CE1 3.22Å; F1633-Y1669 HydrophobicContact CE1-CE1 3.22Å; F1633-Y1669 HydrophobicContact CE1-CG 4.46Å; F1633-Y1669 HydrophobicContact CG-CD1 4.36Å; F1633-Y1669 AromaticContact CG-CE1 3.75Å; F1633-Y1669 HydrophobicContact CG-CE1 3.92Å; F1633-Y1669 HydrophobicContact CZ-CD1 4.35Å; F1633-Y1669 AromaticContact CZ-CE1 3.99Å; F1633-Y1669 HydrophobicContact CZ-CE1 4.21Å; F1633-Y1669 WeakPolarHBondContact O-CE1 3.36Å; I1667-Y1669 HydrophobicContact CG2-CD1 3.82Å; I1667-Y1669 HydrophobicContact CG2-CE1 3.72Å; I1667-Y1669 VanDerWaalsContact CG2-CE1 3.49Å; I1667-Y1669 VanDerWaalsContact CG2-O 3.3Å; I1667-Y1669 WeakPolarHBondContact CG2-O 3.37Å; I1667-Y1669 PolarHBondContact O-N 3.12Å; I1667-Y1669 VanDerWaalsContact O-N 3.16Å; Y1669-F1722 CarbonylContact C-O 3.51Å; Y1669-F1722 VanDerWaalsContact CA-O 3.29Å; Y1669-F1722 WeakPolarHBondContact CA-O 3.32Å; Y1669-F1722 HydrophobicContact CD1-CB 4.36Å; Y1669-F1722 HydrophobicContact CE1-CB 4.47Å
1670	A	74.7	Confident	82.1	Confident	1.6 Å²	1.6	25.5 Å²	25.5	1%	0.013	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-123.8	146.9	169.1	0	0	0	0	0	110.5	N1580 H1664 N1672 P1721 F1722 S1724	N1580-A1670 WeakPolarHBondContact OD1-CA 3.33Å; N1580-A1670 WeakPolarHBondContact OD1-CB 3.06Å; H1664-A1670 VanDerWaalsContact CE1-CB 3.46Å; H1664-A1670 WeakPolarHBondContact CE1-CB 3.32Å; A1670-N1672 VanDerWaalsContact C-N 3.3Å; A1670-P1721 HydrophobicContact CB-CB 3.53Å; A1670-P1721 VanDerWaalsContact CB-CB 3.46Å; A1670-P1721 HydrophobicContact CB-CG 3.34Å; A1670-F1722 PolarHBondContact N-O 3.06Å; A1670-S1724 PolarHBondContact O-N 2.9Å; A1670-S1724 VanDerWaalsContact O-N 3.14Å
1671	N	79.7	Confident	82.4	Confident	2.4 Å²	2.4	25.4 Å²	25.4	1%	0.013	13%	0.131	C	C	.	.	S	Bend	trans	-95.1	8.2	174.3	-64.1	-38.2	0	0	0	112.1	N1580 R1592 Q1635 S1636 L1640 S1641 S1724	N1580-N1671 HydrophobicContact CB-CB 4.49Å; N1580-N1671 PolarHBondContact O-ND2 3.05Å; N1580-N1671 PolarHBondContact OD1-N 3.1Å; N1580-N1671 VanDerWaalsContact OD1-N 3.11Å; R1592-N1671 VanDerWaalsContact NH2-C 3.32Å; R1592-N1671 VanDerWaalsContact NH2-CB 3.29Å; R1592-N1671 PolarHBondContact NH2-O 3.13Å; Q1635-N1671 PolarHBondContact OE1-ND2 3.08Å; S1636-N1671 WeakPolarHBondContact CB-ND2 3.19Å; S1636-N1671 PolarHBondContact OG-ND2 3.05Å; S1636-N1671 PolarHBondContact OG-OD1 2.98Å; S1636-N1671 VanDerWaalsContact OG-OD1 3.11Å; L1640-N1671 CarbonylContact C-O 3.57Å; L1640-N1671 VanDerWaalsContact CA-O 3.29Å; L1640-N1671 WeakPolarHBondContact CA-O 3.34Å; L1640-N1671 HydrophobicContact CD2-CB 4.4Å; S1641-N1671 PolarHBondContact N-O 2.95Å; N1671-S1724 PolarHBondContact OD1-OG 2.81Å
1672	N	85	Confident	82.9	Confident	1.8 Å²	1.8	28.9 Å²	28.9	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.1	-176.9	-64.2	-23	0	0	0	110.1	Y1579 N1580 R1592 S1641 I1643 A1670 W1674	Y1579-N1672 PolarHBondContact O-ND2 3.25Å; Y1579-N1672 PolarHBondContact O-OD1 3.37Å; N1580-N1672 PolarHBondContact OD1-ND2 2.9Å; N1580-N1672 VanDerWaalsContact OD1-ND2 3.11Å; R1592-N1672 PolarHBondContact NE-OD1 3.35Å; R1592-N1672 PolarHBondContact NH2-OD1 3.15Å; S1641-N1672 WeakPolarHBondContact CB-OD1 3.26Å; S1641-N1672 CarbonylContact O-C 3.44Å; S1641-N1672 WeakPolarHBondContact O-CA 3.31Å; I1643-N1672 HydrophobicContact CD1-CB 3.76Å; I1643-N1672 HydrophobicContact CG1-CB 4.41Å; A1670-N1672 VanDerWaalsContact C-N 3.3Å; N1672-W1674 HydrophobicContact CB-CH2 4.29Å; N1672-W1674 HydrophobicContact CB-CZ2 3.89Å; N1672-W1674 VanDerWaalsContact O-CD1 3.23Å; N1672-W1674 PolarHBondContact O-NE1 3.03Å; N1672-W1674 VanDerWaalsContact O-NE1 3.16Å
1673	I	87.6	Confident	83.2	Confident	8.8 Å²	8.8	28.9 Å²	28.9	5%	0.045	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.3	173.4	-58.9	150.8	0	0	0	108	L1640 S1641 F1642 I1643 I1723 I1736	L1640-I1673 HydrophobicContact CB-CD1 3.95Å; L1640-I1673 HydrophobicContact CB-CG1 4.34Å; L1640-I1673 HydrophobicContact CD1-CD1 3.95Å; L1640-I1673 HydrophobicContact CD1-CG1 4.38Å; L1640-I1673 HydrophobicContact CD2-CD1 4.45Å; L1640-I1673 HydrophobicContact CG-CD1 4.44Å; S1641-I1673 PolarHBondContact O-N 3.13Å; F1642-I1673 HydrophobicContact CD1-CB 4.02Å; F1642-I1673 HydrophobicContact CD1-CD1 3.93Å; F1642-I1673 HydrophobicContact CD1-CG2 4.11Å; F1642-I1673 HydrophobicContact CD2-CB 4.08Å; F1642-I1673 HydrophobicContact CD2-CD1 4.46Å; F1642-I1673 HydrophobicContact CD2-CG2 3.85Å; F1642-I1673 HydrophobicContact CE1-CB 4.29Å; F1642-I1673 HydrophobicContact CE1-CD1 3.45Å; F1642-I1673 HydrophobicContact CE1-CG1 4.36Å; F1642-I1673 HydrophobicContact CE1-CG2 4.27Å; F1642-I1673 HydrophobicContact CE2-CD1 4.26Å; F1642-I1673 HydrophobicContact CE2-CG2 4.12Å; F1642-I1673 HydrophobicContact CG-CD1 4.38Å; F1642-I1673 HydrophobicContact CZ-CD1 3.63Å; I1643-I1673 PolarHBondContact N-O 3.04Å; I1673-I1723 HydrophobicContact CG1-CD1 4.06Å; I1673-I1723 HydrophobicContact CG1-CG1 4.39Å; I1673-I1723 HydrophobicContact CG1-CG2 4.41Å; I1673-I1736 HydrophobicContact CD1-CG2 3.34Å; I1673-I1736 HydrophobicContact CG1-CG2 3.95Å; I1673-I1736 HydrophobicContact CG2-CG2 4.21Å
1674	W	91.4	Very high	83.9	Confident	1.6 Å²	1.6	28.2 Å²	28.2	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.1	-173.6	-55.1	96.3	0	0	0	112.3	H1578 I1615 I1643 Y1645 H1664 N1672 Y1676 H1738 Q1739	H1578-W1674 HydrophobicContact CB-CH2 3.5Å; H1578-W1674 VanDerWaalsContact CB-CH2 3.46Å; H1578-W1674 HydrophobicContact CB-CZ2 4.27Å; H1578-W1674 HydrophobicContact CB-CZ3 4.34Å; H1578-W1674 AromaticContact CD2-CH2 3.56Å; H1578-W1674 VanDerWaalsContact CD2-CH2 3.49Å; H1578-W1674 WeakPolarHBondContact CD2-CH2 3.46Å; H1578-W1674 AromaticContact CD2-CZ3 3.58Å; H1578-W1674 AromaticContact CG-CH2 3.6Å; H1578-W1674 AromaticContact CG-CZ3 3.94Å; I1615-W1674 HydrophobicContact CG2-CH2 4.43Å; I1615-W1674 HydrophobicContact CG2-CZ3 4.11Å; I1643-W1674 HydrophobicContact CB-CD2 4.33Å; I1643-W1674 HydrophobicContact CB-CE3 3.86Å; I1643-W1674 HydrophobicContact CB-CZ3 4.02Å; I1643-W1674 HydrophobicContact CD1-CD2 4.27Å; I1643-W1674 HydrophobicContact CD1-CE3 4.16Å; I1643-W1674 HydrophobicContact CD1-CH2 3.64Å; I1643-W1674 HydrophobicContact CD1-CZ2 4.02Å; I1643-W1674 HydrophobicContact CD1-CZ3 3.69Å; I1643-W1674 VanDerWaalsContact CD1-CZ3 3.44Å; I1643-W1674 HydrophobicContact CG1-CZ3 4.39Å; I1643-W1674 HydrophobicContact CG2-CE3 3.89Å; I1643-W1674 HydrophobicContact CG2-CZ3 3.73Å; Y1645-W1674 HydrophobicContact CE2-CE3 4.4Å; Y1645-W1674 HydrophobicContact CE2-CZ3 4.16Å; H1664-W1674 AromaticContact CD2-CD1 3.61Å; H1664-W1674 AromaticContact CD2-CD2 3.74Å; H1664-W1674 AromaticContact CD2-CE2 3.63Å; H1664-W1674 AromaticContact CD2-CG 3.75Å; H1664-W1674 AromaticContact CD2-NE1 3.48Å; H1664-W1674 PolarHBondContact CD2-NE1 2.7Å; H1664-W1674 AromaticContact CE1-CD1 3.81Å; H1664-W1674 AromaticContact CE1-CD2 3.54Å; H1664-W1674 VanDerWaalsContact CE1-CD2 3.44Å; H1664-W1674 AromaticContact CE1-CE2 3.22Å; H1664-W1674 AromaticContact CE1-CE3 3.7Å; H1664-W1674 VanDerWaalsContact CE1-CE3 3.49Å; H1664-W1674 AromaticContact CE1-CG 3.89Å; H1664-W1674 AromaticContact CE1-CH2 3.55Å; H1664-W1674 WeakPolarHBondContact CE1-CH2 3.41Å; H1664-W1674 AromaticContact CE1-CZ2 3.27Å; H1664-W1674 WeakPolarHBondContact CE1-CZ2 3.41Å; H1664-W1674 AromaticContact CE1-CZ3 3.65Å; H1664-W1674 VanDerWaalsContact CE1-CZ3 3.44Å; H1664-W1674 WeakPolarHBondContact CE1-CZ3 3.36Å; H1664-W1674 AromaticContact CE1-NE1 3.54Å; H1664-W1674 PolarHBondContact CE1-NE1 2.94Å; H1664-W1674 VanDerWaalsContact CE1-NE1 3.35Å; H1664-W1674 AromaticContact CG-CE2 3.79Å; H1664-W1674 AromaticContact CG-CZ2 3.8Å; H1664-W1674 AromaticContact CG-NE1 3.73Å; H1664-W1674 AromaticContact ND1-CE2 3.62Å; H1664-W1674 VanDerWaalsContact ND1-CE2 3.34Å; H1664-W1674 AromaticContact ND1-CH2 3.82Å; H1664-W1674 AromaticContact ND1-CZ2 3.45Å; H1664-W1674 VanDerWaalsContact ND1-CZ2 3.26Å; H1664-W1674 WeakPolarHBondContact ND1-CZ2 3.37Å; H1664-W1674 AromaticContact ND1-NE1 3.73Å; H1664-W1674 PolarHBondContact ND1-NE1 3.4Å; H1664-W1674 AromaticContact NE2-CD1 3.73Å; H1664-W1674 AromaticContact NE2-CD2 3.21Å; H1664-W1674 AromaticContact NE2-CE2 3.3Å; H1664-W1674 AromaticContact NE2-CE3 3.62Å; H1664-W1674 AromaticContact NE2-CG 3.53Å; H1664-W1674 AromaticContact NE2-CH2 3.98Å; H1664-W1674 AromaticContact NE2-CZ2 3.77Å; H1664-W1674 AromaticContact NE2-CZ3 4Å; H1664-W1674 AromaticContact NE2-NE1 3.63Å; N1672-W1674 HydrophobicContact CB-CH2 4.29Å; N1672-W1674 HydrophobicContact CB-CZ2 3.89Å; N1672-W1674 VanDerWaalsContact O-CD1 3.23Å; N1672-W1674 PolarHBondContact O-NE1 3.03Å; N1672-W1674 VanDerWaalsContact O-NE1 3.16Å; W1674-Y1676 HydrophobicContact CB-CD2 4.34Å; W1674-Y1676 HydrophobicContact CB-CE2 3.62Å; W1674-Y1676 HydrophobicContact CE3-CE1 4.4Å; W1674-Y1676 HydrophobicContact CE3-CE2 4.43Å; W1674-Y1676 AromaticContact CE3-CZ 3.85Å; W1674-Y1676 HydrophobicContact CG-CE2 4.35Å; W1674-Y1676 WeakPolarHBondContact CZ3-OH 3.44Å; W1674-H1738 AromaticContact CD1-CE1 3.54Å; W1674-H1738 VanDerWaalsContact CD1-CE1 3.47Å; W1674-H1738 AromaticContact CD1-ND1 3.66Å; W1674-H1738 AromaticContact CG-ND1 3.87Å; W1674-H1738 PolarHBondContact N-ND1 2.95Å; W1674-H1738 VanDerWaalsContact N-ND1 3.15Å; W1674-H1738 CarbonylContact O-C 3.56Å; W1674-H1738 VanDerWaalsContact O-CA 3.31Å; W1674-H1738 WeakPolarHBondContact O-CA 3.25Å; W1674-Q1739 PolarHBondContact O-N 3.05Å
1675	S	94.2	Very high	84.7	Confident	17.6 Å²	17.6	31.6 Å²	31.6	12%	0.123	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.7	170	-179.6	0	0	0	0	109.8	F1642 I1643 N1644 Y1645 H1677 Q1739	F1642-S1675 VanDerWaalsContact CZ-CB 3.48Å; I1643-S1675 PolarHBondContact O-N 3.25Å; N1644-S1675 CarbonylContact C-O 3.53Å; N1644-S1675 WeakPolarHBondContact CA-O 3.36Å; N1644-S1675 VanDerWaalsContact OD1-CB 3.25Å; N1644-S1675 WeakPolarHBondContact OD1-CB 3.37Å; N1644-S1675 PolarHBondContact OD1-O 2.89Å; N1644-S1675 PolarHBondContact OD1-OG 3.26Å; Y1645-S1675 PolarHBondContact N-O 2.91Å; S1675-H1677 PolarHBondContact OG-NE2 3.14Å; S1675-Q1739 CarbonylContact C-O 3.52Å; S1675-Q1739 VanDerWaalsContact CA-O 3.31Å; S1675-Q1739 WeakPolarHBondContact CA-O 3.33Å
1676	Y	96.5	Very high	85.9	Confident	1 Å²	1	30 Å²	30	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.5	178.9	-61.6	-81.4	0	0	0	110.4	I1615 Y1645 I1662 H1664 W1674 F1718 L1720 Q1739 I1740 S1741	I1615-Y1676 HydrophobicContact CD1-CE1 3.96Å; Y1645-Y1676 VanDerWaalsContact CB-CD1 3.43Å; Y1645-Y1676 HydrophobicContact CD1-CE1 4.4Å; Y1645-Y1676 AromaticContact CD2-CD1 3.92Å; Y1645-Y1676 HydrophobicContact CD2-CD1 3.94Å; Y1645-Y1676 AromaticContact CD2-CE1 3.52Å; Y1645-Y1676 HydrophobicContact CD2-CE1 3.52Å; Y1645-Y1676 VanDerWaalsContact CD2-CE1 3.4Å; Y1645-Y1676 AromaticContact CD2-CZ 3.98Å; Y1645-Y1676 HydrophobicContact CE2-CE1 4.13Å; Y1645-Y1676 AromaticContact CG-CD1 3.92Å; Y1645-Y1676 HydrophobicContact CG-CD1 3.92Å; Y1645-Y1676 AromaticContact CG-CE1 3.79Å; Y1645-Y1676 HydrophobicContact CG-CE1 3.89Å; I1662-Y1676 HydrophobicContact CD1-CD1 4Å; I1662-Y1676 HydrophobicContact CD1-CD2 4.41Å; I1662-Y1676 HydrophobicContact CD1-CE1 3.64Å; I1662-Y1676 VanDerWaalsContact CD1-CE1 3.47Å; I1662-Y1676 HydrophobicContact CD1-CE2 4.2Å; I1662-Y1676 HydrophobicContact CD1-CG 4.37Å; I1662-Y1676 HydrophobicContact CG1-CE1 4.28Å; I1662-Y1676 HydrophobicContact CG2-CE1 4.44Å; I1662-Y1676 HydrophobicContact CG2-CE2 4.22Å; I1662-Y1676 VanDerWaalsContact CG2-OH 3.23Å; I1662-Y1676 WeakPolarHBondContact CG2-OH 3.43Å; H1664-Y1676 PolarHBondContact CE1-OH 2.89Å; H1664-Y1676 VanDerWaalsContact CE1-OH 3.26Å; H1664-Y1676 AromaticContact NE2-CZ 3.84Å; H1664-Y1676 PolarHBondContact NE2-OH 3.17Å; W1674-Y1676 HydrophobicContact CB-CD2 4.34Å; W1674-Y1676 HydrophobicContact CB-CE2 3.62Å; W1674-Y1676 HydrophobicContact CE3-CE1 4.4Å; W1674-Y1676 HydrophobicContact CE3-CE2 4.43Å; W1674-Y1676 AromaticContact CE3-CZ 3.85Å; W1674-Y1676 HydrophobicContact CG-CE2 4.35Å; W1674-Y1676 WeakPolarHBondContact CZ3-OH 3.44Å; Y1676-F1718 HydrophobicContact CD1-CE1 4.28Å; Y1676-F1718 AromaticContact CD2-CD1 3.88Å; Y1676-F1718 HydrophobicContact CD2-CD1 3.88Å; Y1676-F1718 AromaticContact CD2-CE1 3.82Å; Y1676-F1718 HydrophobicContact CD2-CE1 3.88Å; Y1676-F1718 HydrophobicContact CE2-CD1 4.11Å; Y1676-F1718 HydrophobicContact CE2-CE1 4.32Å; Y1676-F1718 HydrophobicContact CG-CD1 4.27Å; Y1676-F1718 AromaticContact CG-CE1 3.79Å; Y1676-F1718 HydrophobicContact CG-CE1 3.79Å; Y1676-L1720 HydrophobicContact CE2-CD2 4.49Å; Y1676-Q1739 PolarHBondContact N-O 3.1Å; Y1676-I1740 HydrophobicContact CD2-CG1 4.14Å; Y1676-I1740 CarbonylContact O-C 3.35Å; Y1676-I1740 WeakPolarHBondContact O-CA 3.27Å; Y1676-S1741 PolarHBondContact O-N 2.91Å
1677	H	96.9	Very high	87.3	Confident	54.4 Å²	54.4	26.3 Å²	26.3	25%	0.252	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	102.9	174.5	-134.7	-84.5	0	0	0	109.6	N1644 Y1645 N1646 I1647 S1675 F1679 S1741	N1644-H1677 PolarHBondContact OD1-CD2 3.12Å; N1644-H1677 PolarHBondContact OD1-NE2 2.86Å; Y1645-H1677 PolarHBondContact O-N 2.95Å; N1646-H1677 CarbonylContact C-O 3.48Å; N1646-H1677 WeakPolarHBondContact CA-O 3.37Å; N1646-H1677 PolarHBondContact OD1-CD2 2.93Å; N1646-H1677 VanDerWaalsContact OD1-CD2 3.28Å; I1647-H1677 PolarHBondContact N-O 3.05Å; S1675-H1677 PolarHBondContact OG-NE2 3.14Å; H1677-F1679 VanDerWaalsContact CE1-CB 3.47Å; H1677-F1679 WeakPolarHBondContact CE1-CB 3.35Å; H1677-S1741 PolarHBondContact ND1-OG 2.6Å
1678	I	97.2	Very high	88.2	Confident	1.2 Å²	1.2	28.1 Å²	28.1	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	104.3	-176	-57.4	178.1	0	0	0	107.3	I1647 L1660 N1681 F1683 L1716 F1718 S1741 L1742 L1743 N1745	I1647-I1678 HydrophobicContact CB-CG1 4.38Å; I1647-I1678 HydrophobicContact CD1-CD1 4.46Å; I1647-I1678 HydrophobicContact CD1-CG1 4.36Å; I1647-I1678 CarbonylContact O-C 3.54Å; I1647-I1678 WeakPolarHBondContact O-CA 3.31Å; L1660-I1678 HydrophobicContact CD1-CD1 3.63Å; L1660-I1678 HydrophobicContact CD2-CD1 3.65Å; L1660-I1678 VanDerWaalsContact CD2-CD1 3.47Å; I1678-N1681 WeakPolarHBondContact CG2-ND2 3.3Å; I1678-F1683 HydrophobicContact CG2-CE2 4.42Å; I1678-F1683 HydrophobicContact CG2-CZ 4.27Å; I1678-L1716 HydrophobicContact CD1-CD2 4.41Å; I1678-F1718 HydrophobicContact CD1-CE1 4.36Å; I1678-F1718 HydrophobicContact CD1-CZ 3.81Å; I1678-S1741 PolarHBondContact N-O 2.98Å; I1678-L1742 HydrophobicContact CB-CD2 3.76Å; I1678-L1742 HydrophobicContact CD1-CD2 3.75Å; I1678-L1742 HydrophobicContact CG1-CD2 4.14Å; I1678-L1742 HydrophobicContact CG2-CD2 4.28Å; I1678-L1742 WeakPolarHBondContact O-CA 3.25Å; I1678-L1743 PolarHBondContact O-N 3Å; I1678-N1745 PolarHBondContact O-ND2 3.07Å; I1678-N1745 PolarHBondContact O-OD1 2.92Å
1679	F	97.2	Very high	88.5	Confident	57.2 Å²	57.2	26.2 Å²	26.2	25%	0.251	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.3	-172.2	135.8	-92.5	0	0	0	114.4	I1647 T1648 N1649 H1677 N1681 L1743 R1744	I1647-F1679 PolarHBondContact O-N 3Å; T1648-F1679 VanDerWaalsContact CA-O 3.26Å; T1648-F1679 WeakPolarHBondContact CA-O 3.39Å; T1648-F1679 HydrophobicContact CG2-CB 4.14Å; T1648-F1679 HydrophobicContact CG2-CD1 4.23Å; T1648-F1679 HydrophobicContact CG2-CD2 4.31Å; T1648-F1679 HydrophobicContact CG2-CE1 3.35Å; T1648-F1679 VanDerWaalsContact CG2-CE1 3.42Å; T1648-F1679 HydrophobicContact CG2-CE2 3.62Å; T1648-F1679 VanDerWaalsContact CG2-CE2 3.45Å; T1648-F1679 HydrophobicContact CG2-CG 4.39Å; T1648-F1679 HydrophobicContact CG2-CZ 3.1Å; N1649-F1679 PolarHBondContact N-O 3.12Å; N1649-F1679 VanDerWaalsContact N-O 3.14Å; H1677-F1679 VanDerWaalsContact CE1-CB 3.47Å; H1677-F1679 WeakPolarHBondContact CE1-CB 3.35Å; F1679-N1681 VanDerWaalsContact C-N 3.34Å; F1679-N1681 VanDerWaalsContact C-ND2 3.33Å; F1679-N1681 PolarHBondContact N-ND2 2.99Å; F1679-N1681 VanDerWaalsContact N-ND2 3.11Å; F1679-N1681 PolarHBondContact O-N 3.06Å; F1679-N1681 PolarHBondContact O-ND2 3.19Å; F1679-N1681 VanDerWaalsContact O-ND2 3.11Å; F1679-L1743 CarbonylContact C-O 3.47Å; F1679-L1743 VanDerWaalsContact CA-O 3.27Å; F1679-L1743 WeakPolarHBondContact CA-O 3.34Å; F1679-L1743 HydrophobicContact CB-CB 4.08Å; F1679-L1743 WeakPolarHBondContact CB-O 3.27Å; F1679-L1743 HydrophobicContact CD2-CB 3.7Å; F1679-L1743 HydrophobicContact CD2-CD1 4.4Å; F1679-L1743 HydrophobicContact CE2-CB 4.45Å; F1679-R1744 HydrophobicContact CE2-CB 4.48Å; F1679-R1744 HydrophobicContact CE2-CG 4.26Å
1680	N	97.8	Very high	88	Confident	69.2 Å²	69.2	28.7 Å²	28.7	37%	0.37	14%	0.143	S	C	.	.	S	Bend	trans	56.8	33.8	176	-126	23.1	0	0	0	114.9	N1649 L1743 R1744 N1745	N1649-N1680 VanDerWaalsContact CA-O 3.32Å; N1649-N1680 WeakPolarHBondContact CA-O 3.34Å; N1649-N1680 WeakPolarHBondContact OD1-CB 3.38Å; N1649-N1680 PolarHBondContact OD1-ND2 2.97Å; N1649-N1680 VanDerWaalsContact OD1-ND2 3.11Å; N1680-L1743 PolarHBondContact N-O 2.98Å; N1680-R1744 VanDerWaalsContact CA-O 3.32Å; N1680-R1744 WeakPolarHBondContact CA-O 3.44Å; N1680-R1744 VanDerWaalsContact OD1-CB 3.25Å; N1680-R1744 WeakPolarHBondContact OD1-CB 3.33Å; N1680-R1744 PolarHBondContact OD1-NE 2.85Å; N1680-R1744 PolarHBondContact OD1-NH2 3.14Å; N1680-N1745 PolarHBondContact N-OD1 3.25Å
1681	N	97.9	Very high	86.7	Confident	0.6 Å²	0.6	34.7 Å²	34.7	0%	0.003	18%	0.175	C	C	.	.			trans	-96.2	157.1	-179.7	-54.7	-79	0	0	0	112.1	I1647 N1649 C1650 I1678 F1679 F1683 N1745 Q1746	I1647-N1681 PolarHBondContact O-ND2 3.15Å; N1649-N1681 PolarHBondContact N-OD1 3.06Å; C1650-N1681 WeakPolarHBondContact CA-OD1 3.36Å; C1650-N1681 VanDerWaalsContact CB-OD1 3.24Å; C1650-N1681 WeakPolarHBondContact CB-OD1 3.31Å; C1650-N1681 PolarHBondContact N-OD1 3Å; C1650-N1681 CarbonylContact O-C 3.58Å; C1650-N1681 VanDerWaalsContact O-CA 3.3Å; C1650-N1681 WeakPolarHBondContact O-CA 3.35Å; C1650-N1681 WeakPolarHBondContact O-CB 3.4Å; I1678-N1681 WeakPolarHBondContact CG2-ND2 3.3Å; F1679-N1681 VanDerWaalsContact C-N 3.34Å; F1679-N1681 VanDerWaalsContact C-ND2 3.33Å; F1679-N1681 PolarHBondContact N-ND2 2.99Å; F1679-N1681 VanDerWaalsContact N-ND2 3.11Å; F1679-N1681 PolarHBondContact O-N 3.06Å; F1679-N1681 PolarHBondContact O-ND2 3.19Å; F1679-N1681 VanDerWaalsContact O-ND2 3.11Å; N1681-F1683 HydrophobicContact CB-CD2 4.44Å; N1681-F1683 HydrophobicContact CB-CE2 3.71Å; N1681-F1683 HydrophobicContact CB-CZ 4.12Å; N1681-N1745 VanDerWaalsContact CB-OD1 3.32Å; N1681-N1745 WeakPolarHBondContact CB-OD1 3.28Å; N1681-N1745 PolarHBondContact N-OD1 3.15Å; N1681-N1745 PolarHBondContact ND2-OD1 3.05Å; N1681-N1745 CarbonylContact O-C 3.52Å; N1681-N1745 VanDerWaalsContact O-CA 3.3Å; N1681-N1745 WeakPolarHBondContact O-CA 3.26Å; N1681-Q1746 PolarHBondContact O-N 2.99Å
1682	K	97.3	Very high	85.1	Confident	80.6 Å²	80.6	41.9 Å²	41.9	35%	0.35	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128	175.1	-60.7	178.8	-169.8	160.4	0	110.9	C1650 E1651 F1652 I1684 Q1746	C1650-K1682 PolarHBondContact O-N 2.95Å; E1651-K1682 WeakPolarHBondContact CA-O 3.34Å; E1651-K1682 HydrophobicContact CG-CB 4.4Å; E1651-K1682 HydrophobicContact CG-CD 4.41Å; E1651-K1682 WeakPolarHBondContact OE1-CD 3.31Å; E1651-K1682 IonicContact OE1-NZ 3.35Å; E1651-K1682 PolarHBondContact OE1-NZ 3.18Å; F1652-K1682 PolarHBondContact N-O 3.03Å; K1682-I1684 HydrophobicContact CB-CD1 4.18Å; K1682-I1684 HydrophobicContact CB-CG1 4.36Å; K1682-I1684 HydrophobicContact CD-CD1 4.42Å; K1682-Q1746 HydrophobicContact CG-CB 4.49Å
1683	F	96.2	Very high	83.2	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	102.6	176.8	-60	-90.3	0	0	0	108.3	F1652 S1659 L1660 I1678 N1681 L1716 N1745 Q1746 F1747 N1748 N1750	F1652-F1683 HydrophobicContact CB-CD1 3.6Å; F1652-F1683 HydrophobicContact CB-CE1 4.04Å; F1652-F1683 HydrophobicContact CB-CG 4.43Å; F1652-F1683 HydrophobicContact CD1-CE1 4.29Å; F1652-F1683 AromaticContact CD2-CD1 3.73Å; F1652-F1683 HydrophobicContact CD2-CD1 3.73Å; F1652-F1683 AromaticContact CD2-CE1 3.31Å; F1652-F1683 HydrophobicContact CD2-CE1 3.31Å; F1652-F1683 AromaticContact CD2-CZ 3.9Å; F1652-F1683 HydrophobicContact CD2-CZ 3.9Å; F1652-F1683 AromaticContact CE2-CE1 3.73Å; F1652-F1683 HydrophobicContact CE2-CE1 3.73Å; F1652-F1683 AromaticContact CE2-CZ 3.98Å; F1652-F1683 HydrophobicContact CE2-CZ 4.04Å; F1652-F1683 AromaticContact CG-CD1 3.75Å; F1652-F1683 HydrophobicContact CG-CD1 3.75Å; F1652-F1683 AromaticContact CG-CE1 3.64Å; F1652-F1683 HydrophobicContact CG-CE1 3.64Å; F1652-F1683 HydrophobicContact CZ-CE1 4.36Å; F1652-F1683 WeakPolarHBondContact O-CA 3.35Å; S1659-F1683 VanDerWaalsContact CB-CD1 3.45Å; S1659-F1683 WeakPolarHBondContact OG-CD1 3.4Å; L1660-F1683 HydrophobicContact CD1-CE1 4.33Å; L1660-F1683 HydrophobicContact CD1-CZ 4.31Å; L1660-F1683 HydrophobicContact CG-CE1 4.4Å; I1678-F1683 HydrophobicContact CG2-CE2 4.42Å; I1678-F1683 HydrophobicContact CG2-CZ 4.27Å; N1681-F1683 HydrophobicContact CB-CD2 4.44Å; N1681-F1683 HydrophobicContact CB-CE2 3.71Å; N1681-F1683 HydrophobicContact CB-CZ 4.12Å; F1683-L1716 HydrophobicContact CD1-CD1 4.2Å; F1683-L1716 HydrophobicContact CE1-CD1 4.13Å; F1683-L1716 HydrophobicContact CE1-CD2 4.41Å; F1683-L1716 HydrophobicContact CZ-CD1 4.41Å; F1683-L1716 HydrophobicContact CZ-CD2 4.25Å; F1683-N1745 HydrophobicContact CE2-CB 4.34Å; F1683-Q1746 PolarHBondContact N-O 3.2Å; F1683-F1747 HydrophobicContact CB-CD1 3.6Å; F1683-F1747 HydrophobicContact CB-CE1 4.08Å; F1683-F1747 HydrophobicContact CB-CG 4.46Å; F1683-F1747 HydrophobicContact CD1-CE1 4.32Å; F1683-F1747 AromaticContact CD2-CD1 3.49Å; F1683-F1747 HydrophobicContact CD2-CD1 3.49Å; F1683-F1747 VanDerWaalsContact CD2-CD1 3.47Å; F1683-F1747 AromaticContact CD2-CE1 3.12Å; F1683-F1747 HydrophobicContact CD2-CE1 3.12Å; F1683-F1747 HydrophobicContact CD2-CG 4.38Å; F1683-F1747 AromaticContact CD2-CZ 3.79Å; F1683-F1747 HydrophobicContact CD2-CZ 3.79Å; F1683-F1747 HydrophobicContact CE2-CD1 4.31Å; F1683-F1747 AromaticContact CE2-CE1 3.49Å; F1683-F1747 HydrophobicContact CE2-CE1 3.49Å; F1683-F1747 VanDerWaalsContact CE2-CE1 3.48Å; F1683-F1747 AromaticContact CE2-CZ 3.84Å; F1683-F1747 HydrophobicContact CE2-CZ 3.84Å; F1683-F1747 AromaticContact CG-CD1 3.67Å; F1683-F1747 HydrophobicContact CG-CD1 3.67Å; F1683-F1747 AromaticContact CG-CE1 3.6Å; F1683-F1747 HydrophobicContact CG-CE1 3.6Å; F1683-F1747 HydrophobicContact CZ-CE1 4.23Å; F1683-F1747 WeakPolarHBondContact O-CA 3.25Å; F1683-N1748 PolarHBondContact O-N 2.99Å; F1683-N1750 PolarHBondContact O-ND2 3.04Å; F1683-N1750 PolarHBondContact O-OD1 3.02Å
1684	I	94.9	Very high	81	Confident	40.8 Å²	40.8	50.2 Å²	50.2	21%	0.209	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.7	-169.4	-56.1	172.4	0	0	0	110.5	F1652 I1653 H1654 K1682 N1686 N1748	F1652-I1684 PolarHBondContact O-N 3.13Å; I1653-I1684 VanDerWaalsContact CA-O 3.3Å; I1653-I1684 WeakPolarHBondContact CA-O 3.29Å; I1653-I1684 HydrophobicContact CD1-CD1 4.42Å; I1653-I1684 HydrophobicContact CG1-CB 4.29Å; I1653-I1684 HydrophobicContact CG2-CB 4.32Å; I1653-I1684 HydrophobicContact CG2-CG2 4.31Å; I1653-I1684 WeakPolarHBondContact CG2-O 3.18Å; H1654-I1684 PolarHBondContact N-O 3.05Å; K1682-I1684 HydrophobicContact CB-CD1 4.18Å; K1682-I1684 HydrophobicContact CB-CG1 4.36Å; K1682-I1684 HydrophobicContact CD-CD1 4.42Å; I1684-N1686 PolarHBondContact N-ND2 2.97Å; I1684-N1686 VanDerWaalsContact N-ND2 3.19Å; I1684-N1686 PolarHBondContact O-N 2.9Å; I1684-N1686 VanDerWaalsContact O-N 3.09Å; I1684-N1686 PolarHBondContact O-ND2 3.01Å; I1684-N1748 WeakPolarHBondContact CA-O 3.41Å; I1684-N1748 HydrophobicContact CG1-CB 4.49Å
1685	E	92.3	Very high	78.6	Confident	82.2 Å²	82.2	55.4 Å²	55.4	38%	0.384	28%	0.278	S	S	.	.	S	Bend	trans	52.5	31.5	172	-65.4	-179.6	-178.5	0	0	114.8	H1654 N1748 F1749 N1750	H1654-E1685 WeakPolarHBondContact CA-O 3.36Å; H1654-E1685 IonicContact CD2-OE2 3.18Å; H1654-E1685 IonicContact CE1-OE2 3.24Å; H1654-E1685 PolarHBondContact CE1-OE2 2.94Å; H1654-E1685 IonicContact ND1-OE2 3.8Å; H1654-E1685 IonicContact NE2-OE2 3.15Å; H1654-E1685 PolarHBondContact NE2-OE2 2.91Å; H1654-E1685 VanDerWaalsContact NE2-OE2 3.13Å; E1685-N1748 PolarHBondContact N-O 3.19Å; E1685-N1748 VanDerWaalsContact N-O 3.1Å; E1685-F1749 WeakPolarHBondContact CA-O 3.36Å; E1685-F1749 HydrophobicContact CG-CB 3.84Å; E1685-N1750 PolarHBondContact N-OD1 3.07Å
1686	N	90.7	Very high	76	Confident	2.8 Å²	2.8	58.5 Å²	58.5	2%	0.015	30%	0.296	C	S	.	.			trans	-81.4	158.9	173.4	-56.3	-78.1	0	0	0	111	F1652 H1654 N1655 S1659 I1684 N1750 K1751	F1652-N1686 PolarHBondContact O-ND2 2.92Å; F1652-N1686 PolarHBondContact O-OD1 3.14Å; H1654-N1686 PolarHBondContact N-OD1 3.01Å; N1655-N1686 WeakPolarHBondContact CB-OD1 3.32Å; N1655-N1686 PolarHBondContact N-OD1 3.11Å; N1655-N1686 PolarHBondContact ND2-OD1 3.11Å; N1655-N1686 CarbonylContact O-C 3.51Å; N1655-N1686 WeakPolarHBondContact O-CA 3.29Å; S1659-N1686 PolarHBondContact OG-ND2 3.09Å; I1684-N1686 PolarHBondContact N-ND2 2.97Å; I1684-N1686 VanDerWaalsContact N-ND2 3.19Å; I1684-N1686 PolarHBondContact O-N 2.9Å; I1684-N1686 VanDerWaalsContact O-N 3.09Å; I1684-N1686 PolarHBondContact O-ND2 3.01Å; N1686-N1750 WeakPolarHBondContact CB-OD1 3.31Å; N1686-N1750 PolarHBondContact N-OD1 3.08Å; N1686-N1750 PolarHBondContact ND2-OD1 2.95Å; N1686-N1750 VanDerWaalsContact ND2-OD1 3.1Å; N1686-N1750 CarbonylContact O-C 3.48Å; N1686-N1750 WeakPolarHBondContact O-CA 3.37Å; N1686-K1751 PolarHBondContact O-N 3.09Å
1687	G	83.8	Confident	73.2	Confident	2.4 Å²	2.4	63.6 Å²	63.6	3%	0.025	32%	0.32	C	S	.	.			trans	89.1	26.5	175.5	0	0	0	0	0	115.2	N1655 N1656 I1689 K1751	N1655-G1687 PolarHBondContact O-N 2.85Å; N1656-G1687 CarbonylContact O-C 3.53Å; N1656-G1687 VanDerWaalsContact O-C 3.29Å; N1656-G1687 VanDerWaalsContact O-CA 3.24Å; N1656-G1687 WeakPolarHBondContact O-CA 3.38Å; G1687-I1689 PolarHBondContact O-N 3.12Å; G1687-I1689 VanDerWaalsContact O-N 3.15Å; G1687-K1751 VanDerWaalsContact CA-O 3.26Å; G1687-K1751 WeakPolarHBondContact CA-O 3.32Å; G1687-K1751 WeakPolarHBondContact O-CB 3.26Å
1688	L	76.9	Confident	70.4	Confident	57.6 Å²	57.6	64.6 Å²	64.6	30%	0.302	33%	0.331	S	S	.	.			trans	-86.2	115.9	175.7	-108.5	155	0	0	0	110.5	N1656 N1690 E1692 I1693 V1696 H1714 K1751	N1656-L1688 CarbonylContact C-O 3.45Å; N1656-L1688 WeakPolarHBondContact CA-O 3.35Å; N1656-L1688 HydrophobicContact CB-CD1 3.64Å; N1656-L1688 HydrophobicContact CB-CG 4Å; N1656-L1688 WeakPolarHBondContact CB-O 3.4Å; N1656-L1688 CarbonylContact O-C 3.54Å; N1656-L1688 WeakPolarHBondContact O-CG 3.33Å; N1656-L1688 PolarHBondContact O-N 3.24Å; N1656-L1688 VanDerWaalsContact O-N 3.1Å; N1656-L1688 VanDerWaalsContact O-O 3.08Å; N1656-L1688 PolarHBondContact OD1-O 2.9Å; L1688-N1690 WeakPolarHBondContact CD2-OD1 3.3Å; L1688-N1690 PolarHBondContact O-N 3.17Å; L1688-N1690 VanDerWaalsContact O-N 3.16Å; L1688-E1692 WeakPolarHBondContact CA-OE2 3.2Å; L1688-E1692 HydrophobicContact CB-CB 4.26Å; L1688-E1692 HydrophobicContact CD2-CB 4.07Å; L1688-E1692 VanDerWaalsContact CD2-OE2 3.25Å; L1688-E1692 WeakPolarHBondContact CD2-OE2 3.48Å; L1688-I1693 HydrophobicContact CB-CG1 4.26Å; L1688-V1696 HydrophobicContact CD1-CB 4.34Å; L1688-V1696 HydrophobicContact CD1-CG1 4.42Å; L1688-V1696 HydrophobicContact CD1-CG2 3.85Å; L1688-H1714 PolarHBondContact N-ND1 2.66Å; L1688-H1714 PolarHBondContact O-CE1 3.06Å; L1688-H1714 VanDerWaalsContact O-CE1 3.26Å; L1688-H1714 PolarHBondContact O-ND1 2.85Å; L1688-K1751 HydrophobicContact CB-CD 4.21Å; L1688-K1751 HydrophobicContact CD1-CD 3.85Å; L1688-K1751 HydrophobicContact CD2-CG 4.02Å; L1688-K1751 HydrophobicContact CG-CD 3.91Å; L1688-K1751 HydrophobicContact CG-CG 4.25Å
1689	I	64.3	Low	67.6	Low	43.6 Å²	43.6	70.8 Å²	70.8	22%	0.224	36%	0.358	C	S	.	.			trans	-84.5	113.7	172.4	-54.4	171.5	0	0	0	108.2	G1687 N1691 E1692 I1693 K1751 N1752 L1780 F1781	G1687-I1689 PolarHBondContact O-N 3.12Å; G1687-I1689 VanDerWaalsContact O-N 3.15Å; I1689-N1691 PolarHBondContact O-N 3.14Å; I1689-E1692 PolarHBondContact N-OE2 2.88Å; I1689-E1692 WeakPolarHBondContact O-CA 3.28Å; I1689-E1692 WeakPolarHBondContact O-CB 3.35Å; I1689-E1692 PolarHBondContact O-N 3.11Å; I1689-I1693 PolarHBondContact O-N 2.83Å; I1689-K1751 HydrophobicContact CD1-CD 4.22Å; I1689-K1751 HydrophobicContact CD1-CG 4.33Å; I1689-K1751 HydrophobicContact CG1-CB 4.07Å; I1689-K1751 HydrophobicContact CG1-CD 4.14Å; I1689-K1751 HydrophobicContact CG1-CG 4.24Å; I1689-N1752 WeakPolarHBondContact CD1-ND2 3.32Å; I1689-L1780 HydrophobicContact CD1-CD1 4.12Å; I1689-F1781 HydrophobicContact CD1-CE2 4.03Å; I1689-F1781 HydrophobicContact CD1-CZ 4.27Å
1690	N	55.3	Low	64.5	Low	75 Å²	75	72.4 Å²	72.4	40%	0.401	38%	0.375	S	S	.	.			trans	-70.2	104.1	170	-72.5	-11.1	0	0	0	110	L1688 E1692 I1693 Q1777	L1688-N1690 WeakPolarHBondContact CD2-OD1 3.3Å; L1688-N1690 PolarHBondContact O-N 3.17Å; L1688-N1690 VanDerWaalsContact O-N 3.16Å; N1690-E1692 PolarHBondContact O-N 3.18Å; N1690-I1693 HydrophobicContact CB-CD1 4.41Å; N1690-I1693 HydrophobicContact CB-CG1 4.45Å; N1690-I1693 PolarHBondContact O-N 3.28Å; N1690-I1693 VanDerWaalsContact O-N 3.12Å; N1690-I1693 WeakPolarHBondContact OD1-CD1 3.41Å; N1690-Q1777 VanDerWaalsContact CB-NE2 3.34Å; N1690-Q1777 PolarHBondContact ND2-NE2 3.01Å
1691	N	47.7	Very low	61.4	Low	126.4 Å²	126.4	76 Å²	76	68%	0.676	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-16.7	178.2	-73.3	-12.7	0	0	0	113.9	I1689 I1693	I1689-N1691 PolarHBondContact O-N 3.14Å; N1691-I1693 PolarHBondContact O-N 2.79Å
1692	E	45.9	Very low	58.2	Low	154.2 Å²	154.2	79.4 Å²	79.4	72%	0.721	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-20.8	179.3	-62.3	-174.9	159.6	0	0	113.3	L1688 I1689 N1690 N1694 M1695 V1696 K1751	L1688-E1692 WeakPolarHBondContact CA-OE2 3.2Å; L1688-E1692 HydrophobicContact CB-CB 4.26Å; L1688-E1692 HydrophobicContact CD2-CB 4.07Å; L1688-E1692 VanDerWaalsContact CD2-OE2 3.25Å; L1688-E1692 WeakPolarHBondContact CD2-OE2 3.48Å; I1689-E1692 PolarHBondContact N-OE2 2.88Å; I1689-E1692 WeakPolarHBondContact O-CA 3.28Å; I1689-E1692 WeakPolarHBondContact O-CB 3.35Å; I1689-E1692 PolarHBondContact O-N 3.11Å; N1690-E1692 PolarHBondContact O-N 3.18Å; E1692-N1694 VanDerWaalsContact C-N 3.31Å; E1692-N1694 PolarHBondContact O-N 2.98Å; E1692-N1694 VanDerWaalsContact O-N 3.09Å; E1692-M1695 WeakPolarHBondContact O-CB 3.46Å; E1692-M1695 PolarHBondContact O-N 3.06Å; E1692-V1696 WeakPolarHBondContact O-CG2 3.22Å; E1692-V1696 PolarHBondContact O-N 2.81Å; E1692-K1751 IonicContact OE1-NZ 3.63Å; E1692-K1751 PolarHBondContact OE1-NZ 2.81Å; E1692-K1751 IonicContact OE2-NZ 3.33Å; E1692-K1751 PolarHBondContact OE2-NZ 3.11Å
1693	I	45.9	Very low	55	Low	58.6 Å²	58.6	80.4 Å²	80.4	30%	0.301	43%	0.428	S	S	.	.			trans	-83.9	60.7	178.8	-54.1	178.1	0	0	0	109.1	L1609 L1688 I1689 N1690 N1691 M1695 V1696	L1609-I1693 HydrophobicContact CD2-CD1 4.27Å; L1688-I1693 HydrophobicContact CB-CG1 4.26Å; I1689-I1693 PolarHBondContact O-N 2.83Å; N1690-I1693 HydrophobicContact CB-CD1 4.41Å; N1690-I1693 HydrophobicContact CB-CG1 4.45Å; N1690-I1693 PolarHBondContact O-N 3.28Å; N1690-I1693 VanDerWaalsContact O-N 3.12Å; N1690-I1693 WeakPolarHBondContact OD1-CD1 3.41Å; N1691-I1693 PolarHBondContact O-N 2.79Å; I1693-M1695 VanDerWaalsContact C-N 3.26Å; I1693-M1695 HydrophobicContact CB-CB 4.45Å; I1693-M1695 HydrophobicContact CB-CG 4.01Å; I1693-M1695 HydrophobicContact CB-SD 4.22Å; I1693-M1695 HydrophobicContact CD1-SD 4.44Å; I1693-M1695 HydrophobicContact CG1-CG 4.37Å; I1693-M1695 HydrophobicContact CG1-SD 3.96Å; I1693-M1695 HydrophobicContact CG2-CB 3.42Å; I1693-M1695 VanDerWaalsContact CG2-CB 3.42Å; I1693-M1695 HydrophobicContact CG2-CG 3.41Å; I1693-M1695 VanDerWaalsContact CG2-CG 3.41Å; I1693-M1695 HydrophobicContact CG2-SD 3.64Å; I1693-M1695 PolarHBondContact O-N 3.24Å; I1693-M1695 VanDerWaalsContact O-N 3.1Å; I1693-V1696 HydrophobicContact CG2-CG2 3.98Å; I1693-V1696 PolarHBondContact O-N 3.09Å
1694	N	41	Very low	51.9	Low	125.8 Å²	125.8	84.5 Å²	84.5	67%	0.673	46%	0.456	S	S	*	.			trans	-55.5	83.7	163	-79.8	-33.8	0	0	0	109.7	S1138 E1692 V1696	S1138-N1694 VanDerWaalsContact CB-ND2 3.29Å; S1138-N1694 WeakPolarHBondContact CB-ND2 3.45Å; S1138-N1694 PolarHBondContact OG-ND2 3.39Å; S1138-N1694 VanDerWaalsContact OG-ND2 3.15Å; E1692-N1694 VanDerWaalsContact C-N 3.31Å; E1692-N1694 PolarHBondContact O-N 2.98Å; E1692-N1694 VanDerWaalsContact O-N 3.09Å; N1694-V1696 VanDerWaalsContact C-N 3.26Å; N1694-V1696 PolarHBondContact O-N 2.98Å; N1694-V1696 VanDerWaalsContact O-N 3.14Å
1695	M	40.8	Very low	48.8	Very low	110.2 Å²	110.2	85.8 Å²	85.8	54%	0.543	47%	0.469	S	S	.	.			trans	-52.9	82.7	-177	-67.2	-177.1	77.6	0	0	113.4	E1692 I1693 H1697 M1708	E1692-M1695 WeakPolarHBondContact O-CB 3.46Å; E1692-M1695 PolarHBondContact O-N 3.06Å; I1693-M1695 VanDerWaalsContact C-N 3.26Å; I1693-M1695 HydrophobicContact CB-CB 4.45Å; I1693-M1695 HydrophobicContact CB-CG 4.01Å; I1693-M1695 HydrophobicContact CB-SD 4.22Å; I1693-M1695 HydrophobicContact CD1-SD 4.44Å; I1693-M1695 HydrophobicContact CG1-CG 4.37Å; I1693-M1695 HydrophobicContact CG1-SD 3.96Å; I1693-M1695 HydrophobicContact CG2-CB 3.42Å; I1693-M1695 VanDerWaalsContact CG2-CB 3.42Å; I1693-M1695 HydrophobicContact CG2-CG 3.41Å; I1693-M1695 VanDerWaalsContact CG2-CG 3.41Å; I1693-M1695 HydrophobicContact CG2-SD 3.64Å; I1693-M1695 PolarHBondContact O-N 3.24Å; I1693-M1695 VanDerWaalsContact O-N 3.1Å; M1695-H1697 VanDerWaalsContact CE-CE1 3.41Å; M1695-H1697 WeakPolarHBondContact CE-CE1 3.43Å; M1695-H1697 WeakPolarHBondContact CE-NE2 3.3Å; M1695-H1697 PolarHBondContact O-N 3.1Å; M1695-M1708 HydrophobicContact CE-CB 3.76Å; M1695-M1708 HydrophobicContact CE-CG 3.71Å; M1695-M1708 HydrophobicContact CG-CE 4.15Å; M1695-M1708 HydrophobicContact SD-CB 3.55Å; M1695-M1708 VanDerWaalsContact SD-CB 3.55Å; M1695-M1708 HydrophobicContact SD-CE 3.16Å; M1695-M1708 WeakPolarHBondContact SD-CE 3.4Å; M1695-M1708 HydrophobicContact SD-CG 3.28Å; M1695-M1708 WeakPolarHBondContact SD-CG 3.47Å; M1695-M1708 HydrophobicContact SD-SD 3.76Å
1696	V	39.1	Very low	45.8	Very low	83.6 Å²	83.6	86.8 Å²	86.8	51%	0.507	47%	0.473	S	S	.	.			trans	-60.4	74	159.3	-176.2	0	0	0	0	108.2	L1571 L1688 E1692 I1693 N1694 P1698	L1571-V1696 HydrophobicContact CD1-CB 4.31Å; L1571-V1696 HydrophobicContact CD1-CG1 3.74Å; L1688-V1696 HydrophobicContact CD1-CB 4.34Å; L1688-V1696 HydrophobicContact CD1-CG1 4.42Å; L1688-V1696 HydrophobicContact CD1-CG2 3.85Å; E1692-V1696 WeakPolarHBondContact O-CG2 3.22Å; E1692-V1696 PolarHBondContact O-N 2.81Å; I1693-V1696 HydrophobicContact CG2-CG2 3.98Å; I1693-V1696 PolarHBondContact O-N 3.09Å; N1694-V1696 VanDerWaalsContact C-N 3.26Å; N1694-V1696 PolarHBondContact O-N 2.98Å; N1694-V1696 VanDerWaalsContact O-N 3.14Å; V1696-P1698 VanDerWaalsContact O-CD 3.31Å; V1696-P1698 WeakPolarHBondContact O-CD 3.34Å
1697	H	39	Very low	43	Very low	107.8 Å²	107.8	90.3 Å²	90.3	50%	0.499	50%	0.495	S	S	.	.			trans	-63.4	117	163.4	-80.6	-77.1	0	0	0	108.1	M1695 F1699 M1708	M1695-H1697 VanDerWaalsContact CE-CE1 3.41Å; M1695-H1697 WeakPolarHBondContact CE-CE1 3.43Å; M1695-H1697 WeakPolarHBondContact CE-NE2 3.3Å; M1695-H1697 PolarHBondContact O-N 3.1Å; H1697-F1699 PolarHBondContact O-N 3.02Å; H1697-M1708 WeakPolarHBondContact NE2-CE 3.25Å; H1697-M1708 WeakPolarHBondContact NE2-CG 3.19Å
1698	P	37.4	Very low	40.4	Very low	74.8 Å²	74.8	96.3 Å²	96.3	49%	0.486	52%	0.524	S	S	.	.	S	Bend	trans	-73.4	15.2	174.8	26.1	-27.8	0	0	0	113.2	V1696 P1700	V1696-P1698 VanDerWaalsContact O-CD 3.31Å; V1696-P1698 WeakPolarHBondContact O-CD 3.34Å; P1698-P1700 VanDerWaalsContact O-CD 3.23Å; P1698-P1700 WeakPolarHBondContact O-CD 3.34Å
1699	F	37.7	Very low	38.4	Very low	132.6 Å²	132.6	99 Å²	99	58%	0.582	53%	0.531	S	S	*	.			trans	-121.5	101	176.9	-67	-75.1	0	0	0	109.8	L1571 H1697 F1701	L1571-F1699 HydrophobicContact CD1-CE2 3.93Å; L1571-F1699 HydrophobicContact CD1-CZ 4.02Å; H1697-F1699 PolarHBondContact O-N 3.02Å; F1699-F1701 PolarHBondContact O-N 3.12Å; F1699-F1701 VanDerWaalsContact O-N 3.14Å
1700	P	33	Very low	37.4	Very low	91.2 Å²	91.2	102.4 Å²	102.4	59%	0.592	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-6.2	176.5	12.8	-13.7	0	0	0	114	K1131 P1698 S1702	K1131-P1700 HydrophobicContact CB-CG 4.43Å; K1131-P1700 VanDerWaalsContact O-CB 3.3Å; K1131-P1700 WeakPolarHBondContact O-CB 3.42Å; K1131-P1700 WeakPolarHBondContact O-CG 3.4Å; P1698-P1700 VanDerWaalsContact O-CD 3.23Å; P1698-P1700 WeakPolarHBondContact O-CD 3.34Å; P1700-S1702 VanDerWaalsContact C-N 3.29Å; P1700-S1702 PolarHBondContact O-N 3.04Å; P1700-S1702 VanDerWaalsContact O-N 3.15Å
1701	F	33.2	Very low	36.9	Very low	144.8 Å²	144.8	101 Å²	101	64%	0.635	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	53.9	-177.4	-65.9	-77.3	0	0	0	113.3	S1130 K1131 W1133 F1699 S1703	S1130-F1701 WeakPolarHBondContact O-CE1 3.45Å; S1130-F1701 WeakPolarHBondContact O-CZ 3.18Å; K1131-F1701 HydrophobicContact CB-CE2 3.94Å; K1131-F1701 HydrophobicContact CB-CZ 4.26Å; K1131-F1701 HydrophobicContact CG-CE2 3.76Å; K1131-F1701 HydrophobicContact CG-CZ 4.03Å; W1133-F1701 HydrophobicContact CZ2-CZ 4.26Å; W1133-F1701 AromaticContact NE1-CZ 3.77Å; F1699-F1701 PolarHBondContact O-N 3.12Å; F1699-F1701 VanDerWaalsContact O-N 3.14Å; F1701-S1703 VanDerWaalsContact C-N 3.28Å; F1701-S1703 PolarHBondContact O-N 2.95Å; F1701-S1703 VanDerWaalsContact O-N 3.13Å
1702	S	29.9	Very low	37.2	Very low	70.8 Å²	70.8	98.5 Å²	98.5	50%	0.495	52%	0.524	S	S	.	.			trans	-86.3	88.6	168.2	84.2	0	0	0	0	109.7	P1700 S1704 S1705 F1706	P1700-S1702 VanDerWaalsContact C-N 3.29Å; P1700-S1702 PolarHBondContact O-N 3.04Å; P1700-S1702 VanDerWaalsContact O-N 3.15Å; S1702-S1704 PolarHBondContact O-N 3.13Å; S1702-S1704 PolarHBondContact OG-OG 3.45Å; S1702-S1705 PolarHBondContact O-N 3.12Å; S1702-S1705 PolarHBondContact O-OG 3.47Å; S1702-F1706 VanDerWaalsContact CB-CD2 3.47Å; S1702-F1706 WeakPolarHBondContact OG-CD2 3.46Å
1703	S	29.9	Very low	37.9	Very low	102.8 Å²	102.8	93.1 Å²	93.1	72%	0.719	50%	0.499	S	S	*	.			trans	-56.7	82.1	166	56.6	0	0	0	0	110.8	W1625 F1701 S1705	W1625-S1703 VanDerWaalsContact CZ2-O 3.31Å; W1625-S1703 WeakPolarHBondContact CZ2-O 3.39Å; W1625-S1703 PolarHBondContact NE1-O 3.49Å; W1625-S1703 VanDerWaalsContact NE1-O 3.14Å; F1701-S1703 VanDerWaalsContact C-N 3.28Å; F1701-S1703 PolarHBondContact O-N 2.95Å; F1701-S1703 VanDerWaalsContact O-N 3.13Å; S1703-S1705 PolarHBondContact O-N 3.15Å
1704	S	30.5	Very low	39.2	Very low	85.8 Å²	85.8	90.7 Å²	90.7	60%	0.6	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	90.8	174.2	56.6	0	0	0	0	114.3	S1702 F1706	S1702-S1704 PolarHBondContact O-N 3.13Å; S1702-S1704 PolarHBondContact OG-OG 3.45Å; S1704-F1706 VanDerWaalsContact O-CD2 3.3Å; S1704-F1706 WeakPolarHBondContact O-CD2 3.36Å; S1704-F1706 PolarHBondContact O-N 2.92Å
1705	S	30.6	Very low	41.3	Very low	68 Å²	68	85 Å²	85	48%	0.476	46%	0.457	S	S	.	.			trans	-74.9	37.8	173.5	51.7	0	0	0	0	114.6	W1625 S1702 S1703 P1707	W1625-S1705 VanDerWaalsContact CD2-OG 3.31Å; W1625-S1705 WeakPolarHBondContact CZ3-OG 3.26Å; S1702-S1705 PolarHBondContact O-N 3.12Å; S1702-S1705 PolarHBondContact O-OG 3.47Å; S1703-S1705 PolarHBondContact O-N 3.15Å; S1705-P1707 VanDerWaalsContact O-CD 3.28Å; S1705-P1707 WeakPolarHBondContact O-CD 3.38Å
1706	F	29.9	Very low	43.7	Very low	105 Å²	105	79.8 Å²	79.8	46%	0.461	43%	0.431	S	S	.	.			trans	-94.9	123.4	155.1	-76.1	-78.1	0	0	0	107.6	T1622 S1702 S1704 M1708 Y2116	T1622-F1706 VanDerWaalsContact O-CE1 3.3Å; T1622-F1706 WeakPolarHBondContact O-CE1 3.44Å; T1622-F1706 WeakPolarHBondContact O-CE2 3.38Å; T1622-F1706 WeakPolarHBondContact O-CZ 3.5Å; S1702-F1706 VanDerWaalsContact CB-CD2 3.47Å; S1702-F1706 WeakPolarHBondContact OG-CD2 3.46Å; S1704-F1706 VanDerWaalsContact O-CD2 3.3Å; S1704-F1706 WeakPolarHBondContact O-CD2 3.36Å; S1704-F1706 PolarHBondContact O-N 2.92Å; F1706-M1708 VanDerWaalsContact C-N 3.27Å; F1706-M1708 PolarHBondContact O-N 3.03Å; F1706-Y2116 HydrophobicContact CD1-CD2 4.46Å; F1706-Y2116 HydrophobicContact CE1-CD2 4.49Å
1707	P	30.7	Very low	46	Very low	75 Å²	75	76.6 Å²	76.6	49%	0.487	41%	0.411	S	S	.	.			trans	-62.2	107.7	167.1	15.4	-11.7	0	0	0	106.1	S1705 Y1709	S1705-P1707 VanDerWaalsContact O-CD 3.28Å; S1705-P1707 WeakPolarHBondContact O-CD 3.38Å; P1707-Y1709 VanDerWaalsContact C-N 3.25Å; P1707-Y1709 HydrophobicContact CB-CD2 4.15Å; P1707-Y1709 HydrophobicContact CB-CE2 3.8Å; P1707-Y1709 HydrophobicContact CG-CD2 4.36Å; P1707-Y1709 HydrophobicContact CG-CE2 3.95Å; P1707-Y1709 VanDerWaalsContact O-CD2 3.25Å; P1707-Y1709 WeakPolarHBondContact O-CD2 3.36Å; P1707-Y1709 PolarHBondContact O-N 3.16Å
1708	M	30.4	Very low	48.5	Very low	128.2 Å²	128.2	71.5 Å²	71.5	63%	0.632	39%	0.387	S	S	*	.			trans	-60.1	92	170.5	-139.6	-179.8	113.8	0	0	106.3	M1695 H1697 F1706 K1710	M1695-M1708 HydrophobicContact CE-CB 3.76Å; M1695-M1708 HydrophobicContact CE-CG 3.71Å; M1695-M1708 HydrophobicContact CG-CE 4.15Å; M1695-M1708 HydrophobicContact SD-CB 3.55Å; M1695-M1708 VanDerWaalsContact SD-CB 3.55Å; M1695-M1708 HydrophobicContact SD-CE 3.16Å; M1695-M1708 WeakPolarHBondContact SD-CE 3.4Å; M1695-M1708 HydrophobicContact SD-CG 3.28Å; M1695-M1708 WeakPolarHBondContact SD-CG 3.47Å; M1695-M1708 HydrophobicContact SD-SD 3.76Å; H1697-M1708 WeakPolarHBondContact NE2-CE 3.25Å; H1697-M1708 WeakPolarHBondContact NE2-CG 3.19Å; F1706-M1708 VanDerWaalsContact C-N 3.27Å; F1706-M1708 PolarHBondContact O-N 3.03Å; M1708-K1710 VanDerWaalsContact C-N 3.29Å; M1708-K1710 HydrophobicContact CE-CD 4.41Å; M1708-K1710 HydrophobicContact CE-CG 4.28Å; M1708-K1710 PolarHBondContact O-N 3.16Å; M1708-K1710 VanDerWaalsContact O-N 3.14Å
1709	Y	35	Very low	50.8	Low	115 Å²	115	70.3 Å²	70.3	45%	0.451	37%	0.373	S	S	.	.			trans	-62.6	101.3	173.9	-75.5	-86.2	0	0	0	106.4	Y1610 Y1657 P1666 P1707 S1711 N2097 K2185 A2187 Y2188	Y1610-Y1709 WeakPolarHBondContact OH-CB 3.48Å; Y1657-Y1709 PolarHBondContact OH-O 3.08Å; P1666-Y1709 HydrophobicContact CG-CE2 4.49Å; P1707-Y1709 VanDerWaalsContact C-N 3.25Å; P1707-Y1709 HydrophobicContact CB-CD2 4.15Å; P1707-Y1709 HydrophobicContact CB-CE2 3.8Å; P1707-Y1709 HydrophobicContact CG-CD2 4.36Å; P1707-Y1709 HydrophobicContact CG-CE2 3.95Å; P1707-Y1709 VanDerWaalsContact O-CD2 3.25Å; P1707-Y1709 WeakPolarHBondContact O-CD2 3.36Å; P1707-Y1709 PolarHBondContact O-N 3.16Å; Y1709-S1711 PolarHBondContact O-N 3.13Å; Y1709-S1711 VanDerWaalsContact O-N 3.15Å; Y1709-N2097 PolarHBondContact OH-ND2 3.45Å; Y1709-K2185 HydrophobicContact CE1-CD 3.66Å; Y1709-A2187 HydrophobicContact CD1-CB 3.71Å; Y1709-A2187 HydrophobicContact CD2-CB 3.04Å; Y1709-A2187 HydrophobicContact CE1-CB 4.11Å; Y1709-A2187 HydrophobicContact CE2-CB 3.47Å; Y1709-A2187 VanDerWaalsContact CE2-CB 3.47Å; Y1709-A2187 HydrophobicContact CG-CB 3.15Å; Y1709-Y2188 HydrophobicContact CD1-CE1 4.02Å
1710	K	41.7	Very low	53.1	Low	113.8 Å²	113.8	64.2 Å²	64.2	50%	0.495	35%	0.347	S	S	.	.			trans	-67	76	168.6	-78.2	-176.6	176.6	-179	0	107.9	M1708 F1712 E1783	M1708-K1710 VanDerWaalsContact C-N 3.29Å; M1708-K1710 HydrophobicContact CE-CD 4.41Å; M1708-K1710 HydrophobicContact CE-CG 4.28Å; M1708-K1710 PolarHBondContact O-N 3.16Å; M1708-K1710 VanDerWaalsContact O-N 3.14Å; K1710-F1712 VanDerWaalsContact C-N 3.3Å; K1710-F1712 HydrophobicContact CB-CD2 4.45Å; K1710-F1712 HydrophobicContact CB-CE2 3.86Å; K1710-F1712 HydrophobicContact CB-CZ 4.27Å; K1710-F1712 HydrophobicContact CD-CZ 4.26Å; K1710-F1712 HydrophobicContact CG-CE2 4.03Å; K1710-F1712 WeakPolarHBondContact O-CD2 3.38Å; K1710-F1712 WeakPolarHBondContact O-CE2 3.44Å; K1710-F1712 PolarHBondContact O-N 3.11Å; K1710-F1712 VanDerWaalsContact O-N 3.09Å; K1710-E1783 IonicContact NZ-OE1 2.67Å; K1710-E1783 PolarHBondContact NZ-OE1 3.05Å; K1710-E1783 IonicContact NZ-OE2 3.72Å; K1710-E1783 PolarHBondContact NZ-OE2 2.92Å
1711	S	46.3	Very low	55.5	Low	46.6 Å²	46.6	60.1 Å²	60.1	33%	0.326	32%	0.32	S	S	.	.			trans	-61.2	104.8	165.8	46.6	0	0	0	0	107.8	Y1657 Y1709 H1713 H1714	Y1657-S1711 WeakPolarHBondContact CE1-OG 3.11Å; Y1657-S1711 PolarHBondContact OH-N 3.15Å; Y1657-S1711 PolarHBondContact OH-O 2.84Å; Y1657-S1711 PolarHBondContact OH-OG 2.82Å; Y1709-S1711 PolarHBondContact O-N 3.13Å; Y1709-S1711 VanDerWaalsContact O-N 3.15Å; S1711-H1713 WeakPolarHBondContact CB-CD2 3.24Å; S1711-H1713 WeakPolarHBondContact CB-CE1 3.36Å; S1711-H1713 PolarHBondContact O-CD2 2.81Å; S1711-H1713 PolarHBondContact O-N 3.05Å; S1711-H1713 PolarHBondContact O-ND1 2.81Å; S1711-H1713 PolarHBondContact OG-CE1 2.78Å; S1711-H1713 PolarHBondContact OG-ND1 3.48Å; S1711-H1713 VanDerWaalsContact OG-ND1 3.17Å; S1711-H1714 PolarHBondContact O-CE1 2.91Å
1712	F	52.7	Low	57.6	Low	74 Å²	74	55.9 Å²	55.9	33%	0.325	30%	0.302	S	S	.	.			trans	-67.7	44.1	-178.8	-63.2	-85	0	0	0	112.2	Y1657 K1710 H1714 N1752 I1779 F1781 I1786 T1787 Y2188	Y1657-F1712 HydrophobicContact CE1-CD1 4.34Å; K1710-F1712 VanDerWaalsContact C-N 3.3Å; K1710-F1712 HydrophobicContact CB-CD2 4.45Å; K1710-F1712 HydrophobicContact CB-CE2 3.86Å; K1710-F1712 HydrophobicContact CB-CZ 4.27Å; K1710-F1712 HydrophobicContact CD-CZ 4.26Å; K1710-F1712 HydrophobicContact CG-CE2 4.03Å; K1710-F1712 WeakPolarHBondContact O-CD2 3.38Å; K1710-F1712 WeakPolarHBondContact O-CE2 3.44Å; K1710-F1712 PolarHBondContact O-N 3.11Å; K1710-F1712 VanDerWaalsContact O-N 3.09Å; F1712-H1714 VanDerWaalsContact C-N 3.26Å; F1712-H1714 VanDerWaalsContact C-ND1 3.32Å; F1712-H1714 WeakPolarHBondContact CB-CE1 3.46Å; F1712-H1714 PolarHBondContact O-N 2.83Å; F1712-H1714 PolarHBondContact O-ND1 3Å; F1712-N1752 PolarHBondContact O-ND2 3.15Å; F1712-I1779 HydrophobicContact CB-CD1 3.23Å; F1712-I1779 HydrophobicContact CB-CG1 3.67Å; F1712-I1779 HydrophobicContact CB-CG2 4.33Å; F1712-I1779 HydrophobicContact CD1-CG2 4.3Å; F1712-I1779 HydrophobicContact CG-CD1 4.21Å; F1712-I1779 HydrophobicContact CG-CG1 4.42Å; F1712-I1779 HydrophobicContact CG-CG2 4.21Å; F1712-F1781 AromaticContact CD2-CE2 3.88Å; F1712-F1781 HydrophobicContact CD2-CE2 3.88Å; F1712-F1781 AromaticContact CD2-CZ 3.53Å; F1712-F1781 HydrophobicContact CD2-CZ 3.53Å; F1712-F1781 HydrophobicContact CE1-CE1 4.42Å; F1712-F1781 HydrophobicContact CE1-CZ 4.21Å; F1712-F1781 AromaticContact CE2-CE1 3.78Å; F1712-F1781 HydrophobicContact CE2-CE1 3.78Å; F1712-F1781 AromaticContact CE2-CE2 3.91Å; F1712-F1781 HydrophobicContact CE2-CE2 3.91Å; F1712-F1781 AromaticContact CE2-CZ 3.07Å; F1712-F1781 HydrophobicContact CE2-CZ 3.07Å; F1712-F1781 HydrophobicContact CG-CE2 4.48Å; F1712-F1781 HydrophobicContact CG-CZ 4.34Å; F1712-F1781 AromaticContact CZ-CE1 3.66Å; F1712-F1781 HydrophobicContact CZ-CE1 3.66Å; F1712-F1781 HydrophobicContact CZ-CE2 4.38Å; F1712-F1781 AromaticContact CZ-CZ 3.42Å; F1712-F1781 HydrophobicContact CZ-CZ 3.42Å; F1712-F1781 VanDerWaalsContact CZ-CZ 3.42Å; F1712-I1786 HydrophobicContact CD1-CD1 4.48Å; F1712-I1786 HydrophobicContact CE1-CD1 3.67Å; F1712-I1786 HydrophobicContact CE1-CG1 4.17Å; F1712-T1787 HydrophobicContact CE2-CG2 4.12Å; F1712-T1787 HydrophobicContact CZ-CG2 4.01Å; F1712-Y2188 HydrophobicContact CE2-CD1 4.1Å; F1712-Y2188 HydrophobicContact CE2-CE1 4.41Å; F1712-Y2188 HydrophobicContact CZ-CD1 4.4Å
1713	H	60.4	Low	59.7	Low	41.2 Å²	41.2	52.8 Å²	52.8	19%	0.191	28%	0.279	C	S	.	.			trans	-93.3	104	-175.9	-55.3	-64.8	0	0	0	109.5	L1661 E1663 S1711 Q1717 H1754 I1779 N1789	L1661-H1713 HydrophobicContact CD1-CB 3.89Å; L1661-H1713 HydrophobicContact CD2-CB 4.26Å; E1663-H1713 IonicContact OE1-CD2 3.95Å; E1663-H1713 IonicContact OE1-NE2 3.58Å; S1711-H1713 WeakPolarHBondContact CB-CD2 3.24Å; S1711-H1713 WeakPolarHBondContact CB-CE1 3.36Å; S1711-H1713 PolarHBondContact O-CD2 2.81Å; S1711-H1713 PolarHBondContact O-N 3.05Å; S1711-H1713 PolarHBondContact O-ND1 2.81Å; S1711-H1713 PolarHBondContact OG-CE1 2.78Å; S1711-H1713 PolarHBondContact OG-ND1 3.48Å; S1711-H1713 VanDerWaalsContact OG-ND1 3.17Å; H1713-Q1717 VanDerWaalsContact CB-NE2 3.33Å; H1713-Q1717 PolarHBondContact CD2-OE1 2.86Å; H1713-Q1717 PolarHBondContact ND1-OE1 3.17Å; H1713-Q1717 PolarHBondContact O-NE2 3.02Å; H1713-H1754 AromaticContact ND1-CE1 3.68Å; H1713-H1754 AromaticContact ND1-ND1 3.91Å; H1713-H1754 AromaticContact ND1-NE2 3.74Å; H1713-I1779 VanDerWaalsContact CE1-CD1 3.49Å; H1713-I1779 WeakPolarHBondContact CE1-CD1 3.39Å; H1713-N1789 PolarHBondContact CE1-ND2 3.05Å; H1713-N1789 PolarHBondContact CE1-OD1 2.87Å; H1713-N1789 VanDerWaalsContact CE1-OD1 3.23Å; H1713-N1789 PolarHBondContact ND1-ND2 2.94Å; H1713-N1789 PolarHBondContact ND1-OD1 3.13Å
1714	H	74	Confident	61.3	Low	8 Å²	8	48.9 Å²	48.9	4%	0.037	25%	0.252	C	S	.	.			trans	-119.7	150.9	-179	-56.4	142.9	0	0	0	111.6	N1656 Y1657 L1688 S1711 F1712 N1752 F1753 H1754	N1656-H1714 PolarHBondContact O-ND1 3.18Å; Y1657-H1714 WeakPolarHBondContact CA-ND1 3.39Å; Y1657-H1714 AromaticContact CD1-CE1 3.68Å; Y1657-H1714 VanDerWaalsContact CD1-CE1 3.47Å; Y1657-H1714 WeakPolarHBondContact CD1-CE1 3.38Å; Y1657-H1714 AromaticContact CD1-NE2 3.86Å; Y1657-H1714 AromaticContact CD2-CD2 3.97Å; Y1657-H1714 AromaticContact CD2-NE2 3.64Å; Y1657-H1714 AromaticContact CE1-CE1 3.74Å; Y1657-H1714 AromaticContact CE1-NE2 3.93Å; Y1657-H1714 AromaticContact CE2-NE2 3.74Å; Y1657-H1714 AromaticContact CG-CD2 3.97Å; Y1657-H1714 AromaticContact CG-CE1 3.97Å; Y1657-H1714 VanDerWaalsContact O-CA 3.24Å; Y1657-H1714 WeakPolarHBondContact O-CA 3.28Å; Y1657-H1714 WeakPolarHBondContact O-CB 3.4Å; Y1657-H1714 PolarHBondContact O-CD2 2.85Å; Y1657-H1714 VanDerWaalsContact O-CD2 3.22Å; Y1657-H1714 VanDerWaalsContact O-CG 3.31Å; Y1657-H1714 PolarHBondContact O-ND1 2.81Å; L1688-H1714 PolarHBondContact N-ND1 2.66Å; L1688-H1714 PolarHBondContact O-CE1 3.06Å; L1688-H1714 VanDerWaalsContact O-CE1 3.26Å; L1688-H1714 PolarHBondContact O-ND1 2.85Å; S1711-H1714 PolarHBondContact O-CE1 2.91Å; F1712-H1714 VanDerWaalsContact C-N 3.26Å; F1712-H1714 VanDerWaalsContact C-ND1 3.32Å; F1712-H1714 WeakPolarHBondContact CB-CE1 3.46Å; F1712-H1714 PolarHBondContact O-N 2.83Å; F1712-H1714 PolarHBondContact O-ND1 3Å; H1714-N1752 CarbonylContact C-O 3.55Å; H1714-N1752 WeakPolarHBondContact CA-O 3.42Å; H1714-N1752 HydrophobicContact CB-CB 4.22Å; H1714-N1752 VanDerWaalsContact CB-O 3.32Å; H1714-N1752 WeakPolarHBondContact CB-O 3.33Å; H1714-N1752 PolarHBondContact CD2-ND2 3.14Å; H1714-N1752 PolarHBondContact CE1-ND2 2.97Å; H1714-N1752 PolarHBondContact N-O 2.79Å; H1714-N1752 VanDerWaalsContact N-O 3.16Å; H1714-N1752 PolarHBondContact ND1-ND2 3.39Å; H1714-N1752 VanDerWaalsContact ND1-ND2 3.14Å; H1714-N1752 PolarHBondContact NE2-ND2 2.86Å; H1714-N1752 VanDerWaalsContact NE2-ND2 3.11Å; H1714-F1753 CarbonylContact O-C 3.59Å; H1714-F1753 WeakPolarHBondContact O-CA 3.48Å; H1714-H1754 PolarHBondContact O-CD2 2.97Å; H1714-H1754 PolarHBondContact O-N 3.28Å
1715	G	84.4	Confident	62.5	Low	5.8 Å²	5.8	48 Å²	48	6%	0.06	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.2	-121.9	177.9	0	0	0	0	0	113.9	S1659 L1660 H1754	S1659-G1715 PolarHBondContact N-O 3.21Å; S1659-G1715 VanDerWaalsContact N-O 3.1Å; S1659-G1715 PolarHBondContact OG-O 2.99Å; L1660-G1715 PolarHBondContact N-O 3.06Å; L1660-G1715 VanDerWaalsContact N-O 3.09Å; G1715-H1754 CarbonylContact C-O 3.52Å; G1715-H1754 WeakPolarHBondContact CA-O 3.29Å
1716	L	91.7	Very high	63.6	Low	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.1	178.9	-83	93.3	0	0	0	109.4	S1659 L1660 I1678 F1683 F1718 L1742 F1747 F1753 H1754 L1755 Q1756	S1659-L1716 WeakPolarHBondContact OG-CD1 3.37Å; L1660-L1716 HydrophobicContact CB-CD2 3.9Å; L1660-L1716 HydrophobicContact CB-CG 4.18Å; L1660-L1716 HydrophobicContact CD1-CD2 3.97Å; L1660-L1716 HydrophobicContact CD1-CG 4.2Å; L1660-L1716 HydrophobicContact CD2-CD2 3.85Å; L1660-L1716 HydrophobicContact CG-CD2 4.23Å; L1660-L1716 HydrophobicContact CG-CG 4.47Å; L1660-L1716 WeakPolarHBondContact O-CA 3.34Å; I1678-L1716 HydrophobicContact CD1-CD2 4.41Å; F1683-L1716 HydrophobicContact CD1-CD1 4.2Å; F1683-L1716 HydrophobicContact CE1-CD1 4.13Å; F1683-L1716 HydrophobicContact CE1-CD2 4.41Å; F1683-L1716 HydrophobicContact CZ-CD1 4.41Å; F1683-L1716 HydrophobicContact CZ-CD2 4.25Å; L1716-F1718 HydrophobicContact CB-CE2 4.16Å; L1716-F1718 HydrophobicContact CD2-CE2 4.26Å; L1716-F1718 HydrophobicContact CD2-CZ 4.18Å; L1716-L1742 HydrophobicContact CD2-CD2 4.46Å; L1716-F1747 HydrophobicContact CD1-CD1 4.27Å; L1716-F1747 HydrophobicContact CD1-CE1 3.52Å; L1716-F1747 VanDerWaalsContact CD1-CE1 3.45Å; L1716-F1747 HydrophobicContact CD1-CZ 4.12Å; L1716-F1747 HydrophobicContact CD2-CE1 4.05Å; L1716-F1747 HydrophobicContact CD2-CZ 4.11Å; L1716-F1747 HydrophobicContact CG-CE1 4.43Å; L1716-F1753 HydrophobicContact CD1-CE2 3.63Å; L1716-F1753 HydrophobicContact CD1-CZ 3.89Å; L1716-F1753 VanDerWaalsContact CD1-CZ 3.49Å; L1716-H1754 PolarHBondContact N-O 2.95Å; L1716-L1755 HydrophobicContact CB-CB 4.49Å; L1716-L1755 HydrophobicContact CB-CD1 3.71Å; L1716-L1755 HydrophobicContact CD1-CD1 4.27Å; L1716-L1755 HydrophobicContact CD2-CD1 4.37Å; L1716-L1755 CarbonylContact O-C 3.56Å; L1716-L1755 WeakPolarHBondContact O-CA 3.38Å; L1716-Q1756 PolarHBondContact O-N 2.9Å
1717	Q	88.2	Confident	64.5	Low	17.2 Å²	17.2	49.2 Å²	49.2	8%	0.08	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.4	-178.6	-138	174.2	-6.5	0	0	110.8	L1660 L1661 I1662 H1713 Y1719 Q1756 F1758	L1660-Q1717 PolarHBondContact O-N 3.15Å; L1660-Q1717 VanDerWaalsContact O-N 3.13Å; L1661-Q1717 HydrophobicContact CD1-CB 4.2Å; L1661-Q1717 HydrophobicContact CD1-CG 4.46Å; I1662-Q1717 WeakPolarHBondContact CA-O 3.17Å; I1662-Q1717 VanDerWaalsContact CB-O 3.28Å; I1662-Q1717 WeakPolarHBondContact CB-O 3.29Å; I1662-Q1717 PolarHBondContact N-O 3.1Å; I1662-Q1717 VanDerWaalsContact N-O 3.11Å; H1713-Q1717 VanDerWaalsContact CB-NE2 3.33Å; H1713-Q1717 PolarHBondContact CD2-OE1 2.86Å; H1713-Q1717 PolarHBondContact ND1-OE1 3.17Å; H1713-Q1717 PolarHBondContact O-NE2 3.02Å; Q1717-Y1719 HydrophobicContact CB-CE2 4.18Å; Q1717-Q1756 CarbonylContact C-O 3.52Å; Q1717-Q1756 WeakPolarHBondContact CA-O 3.32Å; Q1717-Q1756 HydrophobicContact CB-CB 4.47Å; Q1717-Q1756 HydrophobicContact CG-CB 4.3Å; Q1717-F1758 HydrophobicContact CG-CD2 4.4Å; Q1717-F1758 HydrophobicContact CG-CE1 3.63Å; Q1717-F1758 HydrophobicContact CG-CE2 4.27Å; Q1717-F1758 HydrophobicContact CG-CZ 4.37Å; Q1717-F1758 VanDerWaalsContact NE2-CE1 3.3Å; Q1717-F1758 VanDerWaalsContact NE2-CZ 3.33Å
1718	F	90.1	Very high	65.3	Low	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.1	176.4	-61.4	-98	0	0	0	109.4	L1660 I1662 Y1676 I1678 L1716 L1720 I1740 L1742 L1755 Q1756 I1757 F1758	L1660-F1718 HydrophobicContact CD2-CE1 4.28Å; L1660-F1718 HydrophobicContact CD2-CZ 4.07Å; I1662-F1718 HydrophobicContact CB-CD1 4.41Å; I1662-F1718 HydrophobicContact CD1-CD1 3.26Å; I1662-F1718 VanDerWaalsContact CD1-CD1 3.42Å; I1662-F1718 HydrophobicContact CD1-CE1 3.21Å; I1662-F1718 HydrophobicContact CD1-CG 4.06Å; I1662-F1718 HydrophobicContact CD1-CZ 3.99Å; I1662-F1718 HydrophobicContact CG1-CD1 4.49Å; Y1676-F1718 HydrophobicContact CD1-CE1 4.28Å; Y1676-F1718 AromaticContact CD2-CD1 3.88Å; Y1676-F1718 HydrophobicContact CD2-CD1 3.88Å; Y1676-F1718 AromaticContact CD2-CE1 3.82Å; Y1676-F1718 HydrophobicContact CD2-CE1 3.88Å; Y1676-F1718 HydrophobicContact CE2-CD1 4.11Å; Y1676-F1718 HydrophobicContact CE2-CE1 4.32Å; Y1676-F1718 HydrophobicContact CG-CD1 4.27Å; Y1676-F1718 AromaticContact CG-CE1 3.79Å; Y1676-F1718 HydrophobicContact CG-CE1 3.79Å; I1678-F1718 HydrophobicContact CD1-CE1 4.36Å; I1678-F1718 HydrophobicContact CD1-CZ 3.81Å; L1716-F1718 HydrophobicContact CB-CE2 4.16Å; L1716-F1718 HydrophobicContact CD2-CE2 4.26Å; L1716-F1718 HydrophobicContact CD2-CZ 4.18Å; F1718-L1720 HydrophobicContact CB-CD2 4.48Å; F1718-I1740 HydrophobicContact CB-CD1 3.85Å; F1718-I1740 HydrophobicContact CD1-CD1 3.63Å; F1718-I1740 HydrophobicContact CD1-CG1 4.09Å; F1718-I1740 HydrophobicContact CD2-CD1 4.29Å; F1718-I1740 HydrophobicContact CE1-CD1 4.26Å; F1718-I1740 HydrophobicContact CE1-CG1 4.28Å; F1718-I1740 HydrophobicContact CE1-CG2 4.2Å; F1718-I1740 HydrophobicContact CE2-CG2 4.43Å; F1718-I1740 HydrophobicContact CG-CD1 3.69Å; F1718-I1740 HydrophobicContact CZ-CG2 4.21Å; F1718-L1742 HydrophobicContact CZ-CD2 4.43Å; F1718-L1755 HydrophobicContact CD2-CD1 4.23Å; F1718-L1755 HydrophobicContact CE2-CD1 3.88Å; F1718-Q1756 PolarHBondContact N-O 3.04Å; F1718-I1757 HydrophobicContact CB-CG1 4.31Å; F1718-I1757 HydrophobicContact CB-CG2 4.46Å; F1718-I1757 HydrophobicContact CD2-CG1 4.04Å; F1718-I1757 HydrophobicContact CG-CG1 4.45Å; F1718-I1757 WeakPolarHBondContact O-CA 3.3Å; F1718-F1758 WeakPolarHBondContact O-CD1 3.1Å; F1718-F1758 WeakPolarHBondContact O-CE1 3.34Å; F1718-F1758 PolarHBondContact O-N 2.96Å
1719	Y	86.2	Confident	65.9	Low	51 Å²	51	48.2 Å²	48.2	20%	0.2	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	110.3	168.7	-137.7	-104.1	0	0	0	109.7	I1662 E1663 H1664 Q1717 P1721 F1758 R2190	I1662-Y1719 WeakPolarHBondContact O-CD2 3.34Å; I1662-Y1719 PolarHBondContact O-N 3.14Å; I1662-Y1719 VanDerWaalsContact O-N 3.15Å; E1663-Y1719 HydrophobicContact CG-CD2 4.21Å; E1663-Y1719 HydrophobicContact CG-CE2 4.4Å; H1664-Y1719 HydrophobicContact CB-CD1 3.63Å; H1664-Y1719 HydrophobicContact CB-CE1 3.86Å; H1664-Y1719 HydrophobicContact CB-CG 4.46Å; H1664-Y1719 VanDerWaalsContact CB-O 3.27Å; H1664-Y1719 WeakPolarHBondContact CB-O 3.27Å; H1664-Y1719 PolarHBondContact CD2-O 3.09Å; H1664-Y1719 VanDerWaalsContact CD2-O 3.24Å; H1664-Y1719 AromaticContact CG-CD1 3.99Å; H1664-Y1719 PolarHBondContact NE2-O 2.83Å; H1664-Y1719 WeakPolarHBondContact O-CD1 3.29Å; H1664-Y1719 VanDerWaalsContact O-CE1 3.28Å; H1664-Y1719 WeakPolarHBondContact O-CE1 3.3Å; Q1717-Y1719 HydrophobicContact CB-CE2 4.18Å; Y1719-P1721 VanDerWaalsContact O-CD 3.29Å; Y1719-P1721 WeakPolarHBondContact O-CD 3.41Å; Y1719-F1758 CarbonylContact C-O 3.46Å; Y1719-F1758 VanDerWaalsContact CB-CZ 3.41Å; Y1719-F1758 HydrophobicContact CD1-CB 4.01Å; Y1719-F1758 AromaticContact CD1-CD2 3.82Å; Y1719-F1758 HydrophobicContact CD1-CD2 3.82Å; Y1719-F1758 HydrophobicContact CD1-CG 4.23Å; Y1719-F1758 HydrophobicContact CD2-CB 3.87Å; Y1719-F1758 AromaticContact CD2-CD2 3.26Å; Y1719-F1758 HydrophobicContact CD2-CD2 3.26Å; Y1719-F1758 HydrophobicContact CD2-CE1 4.46Å; Y1719-F1758 AromaticContact CD2-CE2 3.04Å; Y1719-F1758 HydrophobicContact CD2-CE2 3.04Å; Y1719-F1758 HydrophobicContact CD2-CG 4.1Å; Y1719-F1758 AromaticContact CD2-CZ 3.72Å; Y1719-F1758 HydrophobicContact CD2-CZ 3.72Å; Y1719-F1758 HydrophobicContact CE1-CB 4.36Å; Y1719-F1758 AromaticContact CE1-CD2 3.37Å; Y1719-F1758 HydrophobicContact CE1-CD2 3.37Å; Y1719-F1758 VanDerWaalsContact CE1-CD2 3.43Å; Y1719-F1758 AromaticContact CE1-CE2 3.88Å; Y1719-F1758 HydrophobicContact CE1-CE2 4.01Å; Y1719-F1758 HydrophobicContact CE1-CG 4.24Å; Y1719-F1758 HydrophobicContact CE2-CB 4.34Å; Y1719-F1758 AromaticContact CE2-CD2 3.87Å; Y1719-F1758 HydrophobicContact CE2-CD2 4.08Å; Y1719-F1758 AromaticContact CE2-CE2 3.76Å; Y1719-F1758 HydrophobicContact CE2-CE2 3.76Å; Y1719-F1758 HydrophobicContact CG-CD2 4.16Å; Y1719-F1758 AromaticContact CG-CE2 3.53Å; Y1719-F1758 HydrophobicContact CG-CE2 3.53Å; Y1719-F1758 AromaticContact CG-CZ 3.75Å; Y1719-F1758 HydrophobicContact CG-CZ 3.75Å; Y1719-F1758 AromaticContact CZ-CD2 3.78Å; Y1719-R2190 PolarHBondContact OH-NH2 3.14Å
1720	L	86.8	Confident	66.3	Low	3.4 Å²	3.4	48.9 Å²	48.9	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.8	-175.7	-58.7	178	0	0	0	110.5	Y1676 F1718 H1738 I1740 I1757 F1758 G1759 Y1760 A1762	Y1676-L1720 HydrophobicContact CE2-CD2 4.49Å; F1718-L1720 HydrophobicContact CB-CD2 4.48Å; L1720-H1738 HydrophobicContact CD1-CB 4.08Å; L1720-H1738 HydrophobicContact CD2-CB 4.09Å; L1720-I1740 HydrophobicContact CD1-CD1 4.03Å; L1720-I1740 HydrophobicContact CD2-CD1 4.33Å; L1720-I1740 HydrophobicContact CG-CD1 4.47Å; L1720-I1757 HydrophobicContact CD1-CG2 4.13Å; L1720-F1758 VanDerWaalsContact CB-O 3.31Å; L1720-F1758 WeakPolarHBondContact CB-O 3.33Å; L1720-F1758 PolarHBondContact N-O 3.05Å; L1720-G1759 CarbonylContact O-C 3.47Å; L1720-G1759 VanDerWaalsContact O-CA 3.27Å; L1720-G1759 WeakPolarHBondContact O-CA 3.37Å; L1720-Y1760 PolarHBondContact O-N 3.12Å; L1720-A1762 HydrophobicContact CD1-CB 3.55Å; L1720-A1762 VanDerWaalsContact CD1-CB 3.47Å
1721	P	82.3	Confident	66.5	Low	5.4 Å²	5.4	49.6 Å²	49.6	4%	0.035	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-76.1	162.8	-177.5	32.4	-35.8	0	0	0	112.5	H1664 A1670 Y1719 H1738 Y1760	H1664-P1721 HydrophobicContact CB-CB 4.4Å; H1664-P1721 HydrophobicContact CB-CG 4.13Å; H1664-P1721 WeakPolarHBondContact CD2-CB 3.12Å; H1664-P1721 WeakPolarHBondContact NE2-CB 3.3Å; A1670-P1721 HydrophobicContact CB-CB 3.53Å; A1670-P1721 VanDerWaalsContact CB-CB 3.46Å; A1670-P1721 HydrophobicContact CB-CG 3.34Å; Y1719-P1721 VanDerWaalsContact O-CD 3.29Å; Y1719-P1721 WeakPolarHBondContact O-CD 3.41Å; P1721-H1738 PolarHBondContact O-NE2 3.03Å; P1721-H1738 VanDerWaalsContact O-NE2 3.12Å; P1721-Y1760 VanDerWaalsContact O-CB 3.25Å; P1721-Y1760 WeakPolarHBondContact O-CB 3.39Å
1722	F	77.5	Confident	66.4	Low	56.4 Å²	56.4	54 Å²	54	25%	0.247	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-71.2	145.6	171.7	-147.4	-103.2	0	0	0	110.6	E1668 Y1669 A1670 Y1760 M1797 I2435 H2520	E1668-F1722 WeakPolarHBondContact O-CB 3.4Å; E1668-F1722 WeakPolarHBondContact O-CD1 3.18Å; E1668-F1722 VanDerWaalsContact O-CG 3.3Å; E1668-F1722 WeakPolarHBondContact O-CG 3.43Å; E1668-F1722 PolarHBondContact O-N 2.95Å; Y1669-F1722 CarbonylContact C-O 3.51Å; Y1669-F1722 VanDerWaalsContact CA-O 3.29Å; Y1669-F1722 WeakPolarHBondContact CA-O 3.32Å; Y1669-F1722 HydrophobicContact CD1-CB 4.36Å; Y1669-F1722 HydrophobicContact CE1-CB 4.47Å; A1670-F1722 PolarHBondContact N-O 3.06Å; F1722-Y1760 HydrophobicContact CB-CD2 3.92Å; F1722-Y1760 HydrophobicContact CB-CE2 4.08Å; F1722-Y1760 HydrophobicContact CB-CG 4.27Å; F1722-Y1760 AromaticContact CD1-CD2 3.29Å; F1722-Y1760 HydrophobicContact CD1-CD2 3.29Å; F1722-Y1760 AromaticContact CD1-CE2 3.3Å; F1722-Y1760 HydrophobicContact CD1-CE2 3.3Å; F1722-Y1760 HydrophobicContact CD1-CG 4.48Å; F1722-Y1760 AromaticContact CD2-CD2 3.6Å; F1722-Y1760 HydrophobicContact CD2-CD2 3.7Å; F1722-Y1760 VanDerWaalsContact CD2-CD2 3.44Å; F1722-Y1760 HydrophobicContact CD2-CE1 4.44Å; F1722-Y1760 AromaticContact CD2-CE2 3.21Å; F1722-Y1760 HydrophobicContact CD2-CE2 3.21Å; F1722-Y1760 HydrophobicContact CD2-CG 4.43Å; F1722-Y1760 AromaticContact CD2-CZ 3.8Å; F1722-Y1760 AromaticContact CE1-CD2 3.76Å; F1722-Y1760 HydrophobicContact CE1-CD2 3.76Å; F1722-Y1760 AromaticContact CE1-CE2 3.69Å; F1722-Y1760 HydrophobicContact CE1-CE2 3.86Å; F1722-Y1760 HydrophobicContact CE2-CD2 4.3Å; F1722-Y1760 AromaticContact CE2-CE2 3.6Å; F1722-Y1760 HydrophobicContact CE2-CE2 3.6Å; F1722-Y1760 AromaticContact CE2-CZ 3.83Å; F1722-Y1760 AromaticContact CG-CD2 3.36Å; F1722-Y1760 HydrophobicContact CG-CD2 3.88Å; F1722-Y1760 AromaticContact CG-CE2 3.78Å; F1722-Y1760 HydrophobicContact CG-CE2 4.03Å; F1722-Y1760 HydrophobicContact CG-CG 4.23Å; F1722-Y1760 HydrophobicContact CZ-CD2 4.25Å; F1722-Y1760 HydrophobicContact CZ-CE2 4.47Å; F1722-M1797 HydrophobicContact CD1-SD 4.11Å; F1722-M1797 HydrophobicContact CE1-CE 4.25Å; F1722-M1797 HydrophobicContact CE1-SD 3.38Å; F1722-M1797 WeakPolarHBondContact CE1-SD 3.35Å; F1722-M1797 HydrophobicContact CE2-SD 4.31Å; F1722-M1797 HydrophobicContact CZ-CG 4.41Å; F1722-M1797 HydrophobicContact CZ-SD 3.58Å; F1722-M1797 WeakPolarHBondContact CZ-SD 3.32Å; F1722-I2435 HydrophobicContact CD2-CD1 4.21Å; F1722-I2435 HydrophobicContact CE1-CG2 3.87Å; F1722-I2435 HydrophobicContact CE2-CB 3.78Å; F1722-I2435 HydrophobicContact CE2-CD1 3.85Å; F1722-I2435 HydrophobicContact CE2-CG1 4.41Å; F1722-I2435 HydrophobicContact CE2-CG2 3.97Å; F1722-I2435 HydrophobicContact CZ-CB 3.61Å; F1722-I2435 HydrophobicContact CZ-CD1 4.39Å; F1722-I2435 HydrophobicContact CZ-CG2 3.39Å; F1722-H2520 AromaticContact CD1-CE1 3.96Å; F1722-H2520 AromaticContact CE1-CE1 3.64Å
1723	I	74.5	Confident	65.9	Low	5.8 Å²	5.8	56.8 Å²	56.8	3%	0.03	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-98.9	124.6	178.4	-57.7	165	0	0	0	109	L1640 I1673 N1725 I1736 H1738 Y1760	L1640-I1723 HydrophobicContact CD1-CG2 3.78Å; L1640-I1723 VanDerWaalsContact CD1-CG2 3.48Å; L1640-I1723 HydrophobicContact CD2-CG2 3.9Å; L1640-I1723 HydrophobicContact CG-CG2 4.42Å; I1673-I1723 HydrophobicContact CG1-CD1 4.06Å; I1673-I1723 HydrophobicContact CG1-CG1 4.39Å; I1673-I1723 HydrophobicContact CG1-CG2 4.41Å; I1723-N1725 WeakPolarHBondContact CG2-OD1 3.28Å; I1723-N1725 PolarHBondContact O-N 2.98Å; I1723-N1725 VanDerWaalsContact O-N 3.08Å; I1723-N1725 PolarHBondContact O-OD1 3.27Å; I1723-I1736 HydrophobicContact CD1-CG2 4.2Å; I1723-I1736 HydrophobicContact CG2-CG2 4.27Å; I1723-H1738 WeakPolarHBondContact CD1-NE2 3.4Å; I1723-H1738 WeakPolarHBondContact CG1-NE2 3.32Å; I1723-Y1760 HydrophobicContact CB-CD1 4.49Å; I1723-Y1760 HydrophobicContact CB-CE1 4.16Å; I1723-Y1760 HydrophobicContact CD1-CD1 4.22Å; I1723-Y1760 HydrophobicContact CD1-CE1 4.08Å; I1723-Y1760 HydrophobicContact CG1-CD1 4.19Å; I1723-Y1760 HydrophobicContact CG1-CE1 4.11Å
1724	S	62.6	Low	65.4	Low	20.6 Å²	20.6	57.5 Å²	57.5	14%	0.144	29%	0.287	C	S	.	.			trans	-76.9	102.2	175	106.7	0	0	0	0	110.6	L1640 A1670 N1671 E1726	L1640-S1724 WeakPolarHBondContact CD2-O 3.34Å; A1670-S1724 PolarHBondContact O-N 2.9Å; A1670-S1724 VanDerWaalsContact O-N 3.14Å; N1671-S1724 PolarHBondContact OD1-OG 2.81Å; S1724-E1726 PolarHBondContact O-N 2.8Å; S1724-E1726 VanDerWaalsContact O-N 3.17Å
1725	N	56.5	Low	64.5	Low	67 Å²	67	60.5 Å²	60.5	36%	0.358	31%	0.306	S	S	.	.			trans	-93	8.8	-178	-30.6	-9.9	0	0	0	113.8	L1640 I1723 F1727 N1728 I1736 R1827	L1640-N1725 WeakPolarHBondContact CD1-OD1 3.29Å; I1723-N1725 WeakPolarHBondContact CG2-OD1 3.28Å; I1723-N1725 PolarHBondContact O-N 2.98Å; I1723-N1725 VanDerWaalsContact O-N 3.08Å; I1723-N1725 PolarHBondContact O-OD1 3.27Å; N1725-F1727 PolarHBondContact O-N 3.05Å; N1725-F1727 VanDerWaalsContact O-N 3.1Å; N1725-N1728 PolarHBondContact O-N 3.08Å; N1725-I1736 HydrophobicContact CB-CD1 4.2Å; N1725-R1827 PolarHBondContact OD1-NH1 2.93Å
1726	E	53	Low	63.6	Low	105.6 Å²	105.6	62.7 Å²	62.7	49%	0.493	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.2	-174.2	-82.8	-170.7	171.3	0	0	114	K1634 S1724 R1827	K1634-E1726 VanDerWaalsContact CE-CD 3.42Å; K1634-E1726 WeakPolarHBondContact CE-OE1 3.42Å; K1634-E1726 WeakPolarHBondContact CE-OE2 3.22Å; K1634-E1726 VanDerWaalsContact NZ-CD 3.25Å; K1634-E1726 IonicContact NZ-OE1 3.2Å; K1634-E1726 PolarHBondContact NZ-OE1 2.99Å; K1634-E1726 IonicContact NZ-OE2 3.22Å; K1634-E1726 PolarHBondContact NZ-OE2 3.19Å; S1724-E1726 PolarHBondContact O-N 2.8Å; S1724-E1726 VanDerWaalsContact O-N 3.17Å; E1726-R1827 IonicContact OE1-NH2 2.75Å
1727	F	49.3	Very low	63	Low	94.2 Å²	94.2	64.4 Å²	64.4	41%	0.413	33%	0.327	S	S	.	.	S	Bend	trans	-110.9	31.4	-173.4	-65.8	-75.3	0	0	0	114.7	P1429 K1634 S1636 I1637 N1725 W1729	P1429-F1727 HydrophobicContact CB-CD1 4.2Å; P1429-F1727 HydrophobicContact CB-CE1 4.44Å; K1634-F1727 WeakPolarHBondContact O-CE2 3.34Å; K1634-F1727 WeakPolarHBondContact O-CZ 3.41Å; S1636-F1727 VanDerWaalsContact O-CE2 3.28Å; S1636-F1727 WeakPolarHBondContact O-CE2 3.29Å; S1636-F1727 WeakPolarHBondContact O-CZ 3.24Å; I1637-F1727 HydrophobicContact CD1-CD2 3.95Å; I1637-F1727 HydrophobicContact CD1-CE2 4.23Å; N1725-F1727 PolarHBondContact O-N 3.05Å; N1725-F1727 VanDerWaalsContact O-N 3.1Å; F1727-W1729 PolarHBondContact O-N 3.28Å
1728	N	47.7	Very low	63.1	Low	48.4 Å²	48.4	63.6 Å²	63.6	26%	0.259	32%	0.324	S	S	.	.			trans	-86.8	68	175	-130.9	-7.1	0	0	0	113.2	H1639 L1640 N1725 R1730 Y1731	H1639-N1728 PolarHBondContact ND1-OD1 2.98Å; L1640-N1728 WeakPolarHBondContact CB-ND2 3.37Å; L1640-N1728 HydrophobicContact CD1-CB 4.32Å; L1640-N1728 WeakPolarHBondContact CD1-ND2 3.37Å; L1640-N1728 HydrophobicContact CG-CB 4.49Å; L1640-N1728 VanDerWaalsContact CG-ND2 3.31Å; L1640-N1728 WeakPolarHBondContact CG-ND2 3.36Å; L1640-N1728 PolarHBondContact N-ND2 3.07Å; N1725-N1728 PolarHBondContact O-N 3.08Å; N1728-R1730 PolarHBondContact O-N 3.32Å; N1728-R1730 VanDerWaalsContact O-N 3.12Å; N1728-R1730 WeakPolarHBondContact OD1-CD 3.42Å; N1728-R1730 WeakPolarHBondContact OD1-CG 3.29Å; N1728-Y1731 HydrophobicContact CB-CD2 3.87Å; N1728-Y1731 HydrophobicContact CB-CE2 4.07Å; N1728-Y1731 WeakPolarHBondContact ND2-CE2 3.45Å; N1728-Y1731 PolarHBondContact O-N 2.83Å; N1728-Y1731 VanDerWaalsContact O-N 3.14Å
1729	W	43.7	Very low	63.3	Low	132 Å²	132	67.1 Å²	67.1	50%	0.5	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-57.1	-11.9	176.3	63.3	-91.1	0	0	0	114.7	I1433 I1437 F1727 Y1731 E1732 T2479	I1433-W1729 HydrophobicContact CB-CZ2 3.71Å; I1433-W1729 HydrophobicContact CD1-CZ2 3.59Å; I1433-W1729 HydrophobicContact CG1-CZ2 4.22Å; I1433-W1729 HydrophobicContact CG2-CH2 4.47Å; I1433-W1729 HydrophobicContact CG2-CZ2 3.78Å; I1437-W1729 HydrophobicContact CD1-CH2 4.4Å; I1437-W1729 HydrophobicContact CD1-CZ2 3.54Å; F1727-W1729 PolarHBondContact O-N 3.28Å; W1729-Y1731 VanDerWaalsContact C-N 3.28Å; W1729-Y1731 PolarHBondContact O-N 3.17Å; W1729-Y1731 VanDerWaalsContact O-N 3.11Å; W1729-E1732 VanDerWaalsContact O-CB 3.31Å; W1729-E1732 WeakPolarHBondContact O-CB 3.36Å; W1729-E1732 VanDerWaalsContact O-CG 3.23Å; W1729-E1732 WeakPolarHBondContact O-CG 3.28Å; W1729-E1732 PolarHBondContact O-N 3.39Å; W1729-T2479 HydrophobicContact CH2-CG2 3.84Å; W1729-T2479 HydrophobicContact CZ2-CG2 3.74Å
1730	R	42.3	Very low	63.7	Low	131.2 Å²	131.2	64.8 Å²	64.8	50%	0.495	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-71.8	-11.6	-178.8	-74.1	-172	178.2	147.1	-1.3	114.9	I1433 R1499 N1728 E1732	I1433-R1730 HydrophobicContact CD1-CG 4.48Å; I1433-R1730 PolarHBondContact O-NH2 2.69Å; R1499-R1730 VanDerWaalsContact NH2-NH1 3.19Å; N1728-R1730 PolarHBondContact O-N 3.32Å; N1728-R1730 VanDerWaalsContact O-N 3.12Å; N1728-R1730 WeakPolarHBondContact OD1-CD 3.42Å; N1728-R1730 WeakPolarHBondContact OD1-CG 3.29Å; R1730-E1732 PolarHBondContact O-N 3.26Å
1731	Y	45.8	Very low	64.2	Low	127.4 Å²	127.4	64.9 Å²	64.9	50%	0.5	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-109.1	22.8	-179.5	-64.6	-75.9	0	0	0	113.3	E1594 F1642 N1728 W1729 S1733 G1734 I1736	E1594-Y1731 PolarHBondContact OE1-OH 3.02Å; F1642-Y1731 HydrophobicContact CE2-CE1 4.39Å; F1642-Y1731 HydrophobicContact CE2-CE2 4.34Å; F1642-Y1731 AromaticContact CE2-CZ 3.72Å; F1642-Y1731 WeakPolarHBondContact CE2-OH 3.32Å; F1642-Y1731 AromaticContact CZ-CE1 3.79Å; F1642-Y1731 HydrophobicContact CZ-CE1 3.79Å; F1642-Y1731 HydrophobicContact CZ-CE2 4.27Å; F1642-Y1731 AromaticContact CZ-CZ 3.54Å; F1642-Y1731 WeakPolarHBondContact CZ-OH 3.29Å; N1728-Y1731 HydrophobicContact CB-CD2 3.87Å; N1728-Y1731 HydrophobicContact CB-CE2 4.07Å; N1728-Y1731 WeakPolarHBondContact ND2-CE2 3.45Å; N1728-Y1731 PolarHBondContact O-N 2.83Å; N1728-Y1731 VanDerWaalsContact O-N 3.14Å; W1729-Y1731 VanDerWaalsContact C-N 3.28Å; W1729-Y1731 PolarHBondContact O-N 3.17Å; W1729-Y1731 VanDerWaalsContact O-N 3.11Å; Y1731-S1733 PolarHBondContact O-N 2.92Å; Y1731-G1734 PolarHBondContact O-N 2.85Å; Y1731-G1734 VanDerWaalsContact O-N 3.16Å; Y1731-I1736 HydrophobicContact CD1-CD1 4.11Å; Y1731-I1736 HydrophobicContact CD1-CG1 4.2Å; Y1731-I1736 HydrophobicContact CD2-CD1 3.79Å; Y1731-I1736 HydrophobicContact CE2-CD1 4.42Å; Y1731-I1736 HydrophobicContact CG-CD1 3.48Å; Y1731-I1736 VanDerWaalsContact CG-CD1 3.43Å; Y1731-I1736 HydrophobicContact CG-CG1 4.24Å
1732	E	43.8	Very low	64.9	Low	138.8 Å²	138.8	64.6 Å²	64.6	65%	0.649	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	81.4	178.5	-75.2	-178.9	167.2	0	0	113.2	K1430 W1729 R1730 G1734 V1735	K1430-E1732 WeakPolarHBondContact CE-OE1 3.5Å; K1430-E1732 IonicContact NZ-OE1 2.71Å; K1430-E1732 PolarHBondContact NZ-OE1 2.6Å; K1430-E1732 IonicContact NZ-OE2 2.73Å; W1729-E1732 VanDerWaalsContact O-CB 3.31Å; W1729-E1732 WeakPolarHBondContact O-CB 3.36Å; W1729-E1732 VanDerWaalsContact O-CG 3.23Å; W1729-E1732 WeakPolarHBondContact O-CG 3.28Å; W1729-E1732 PolarHBondContact O-N 3.39Å; R1730-E1732 PolarHBondContact O-N 3.26Å; E1732-G1734 VanDerWaalsContact C-N 3.35Å; E1732-G1734 PolarHBondContact O-N 3.04Å; E1732-G1734 VanDerWaalsContact O-N 3.12Å; E1732-V1735 WeakPolarHBondContact O-CG2 3.25Å
1733	S	42.2	Very low	65.9	Low	133.4 Å²	133.4	63.7 Å²	63.7	93%	0.933	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	38.1	174.5	-48.5	0	0	0	0	114.4	Y1731	Y1731-S1733 PolarHBondContact O-N 2.92Å
1734	G	51.6	Low	67	Low	55.6 Å²	55.6	70.3 Å²	70.3	57%	0.573	35%	0.352	S	S	*	.	S	Bend	trans	-164.6	133.3	-179.7	0	0	0	0	0	114	Y1731 E1732 I1736	Y1731-G1734 PolarHBondContact O-N 2.85Å; Y1731-G1734 VanDerWaalsContact O-N 3.16Å; E1732-G1734 VanDerWaalsContact C-N 3.35Å; E1732-G1734 PolarHBondContact O-N 3.04Å; E1732-G1734 VanDerWaalsContact O-N 3.12Å; G1734-I1736 PolarHBondContact O-N 3.15Å; G1734-I1736 VanDerWaalsContact O-N 3.13Å
1735	V	54.7	Low	68.7	Low	71.6 Å²	71.6	69.4 Å²	69.4	43%	0.434	35%	0.346	S	S	.	.			trans	-61.3	104.8	172.4	-177.5	0	0	0	0	109.1	E1732 S1737 D1828 V1830	E1732-V1735 WeakPolarHBondContact O-CG2 3.25Å; V1735-S1737 PolarHBondContact O-N 3Å; V1735-S1737 VanDerWaalsContact O-N 3.15Å; V1735-D1828 HydrophobicContact CG1-CB 4.34Å; V1735-D1828 WeakPolarHBondContact CG1-OD2 3.29Å; V1735-D1828 HydrophobicContact CG2-CB 4.13Å; V1735-D1828 WeakPolarHBondContact CG2-OD1 3.26Å; V1735-D1828 WeakPolarHBondContact CG2-OD2 3.29Å; V1735-V1830 HydrophobicContact CG2-CG2 4.2Å
1736	I	65.7	Low	70.6	Confident	52.6 Å²	52.6	69.6 Å²	69.6	27%	0.27	35%	0.345	S	S	.	.			trans	-74.5	108.9	173.7	-55.7	171.1	0	0	0	107.7	L1640 F1642 I1673 I1723 N1725 Y1731 G1734	L1640-I1736 HydrophobicContact CD1-CD1 3.83Å; F1642-I1736 HydrophobicContact CE1-CG2 3.82Å; F1642-I1736 HydrophobicContact CZ-CD1 4.37Å; F1642-I1736 HydrophobicContact CZ-CG2 4.22Å; I1673-I1736 HydrophobicContact CD1-CG2 3.34Å; I1673-I1736 HydrophobicContact CG1-CG2 3.95Å; I1673-I1736 HydrophobicContact CG2-CG2 4.21Å; I1723-I1736 HydrophobicContact CD1-CG2 4.2Å; I1723-I1736 HydrophobicContact CG2-CG2 4.27Å; N1725-I1736 HydrophobicContact CB-CD1 4.2Å; Y1731-I1736 HydrophobicContact CD1-CD1 4.11Å; Y1731-I1736 HydrophobicContact CD1-CG1 4.2Å; Y1731-I1736 HydrophobicContact CD2-CD1 3.79Å; Y1731-I1736 HydrophobicContact CE2-CD1 4.42Å; Y1731-I1736 HydrophobicContact CG-CD1 3.48Å; Y1731-I1736 VanDerWaalsContact CG-CD1 3.43Å; Y1731-I1736 HydrophobicContact CG-CG1 4.24Å; G1734-I1736 PolarHBondContact O-N 3.15Å; G1734-I1736 VanDerWaalsContact O-N 3.13Å
1737	S	79.4	Confident	72.7	Confident	34.8 Å²	34.8	64.6 Å²	64.6	24%	0.243	32%	0.321	C	S	.	.			trans	-130.9	162	179.8	60.3	0	0	0	0	110.7	V1735	V1735-S1737 PolarHBondContact O-N 3Å; V1735-S1737 VanDerWaalsContact O-N 3.15Å
1738	H	89.9	Confident	74.9	Confident	0.2 Å²	0.2	61.1 Å²	61.1	0%	0.001	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	154.8	172.9	-60.8	-62.7	0	0	0	110.9	W1674 L1720 P1721 I1723 T1761 A1762 K1763	W1674-H1738 AromaticContact CD1-CE1 3.54Å; W1674-H1738 VanDerWaalsContact CD1-CE1 3.47Å; W1674-H1738 AromaticContact CD1-ND1 3.66Å; W1674-H1738 AromaticContact CG-ND1 3.87Å; W1674-H1738 PolarHBondContact N-ND1 2.95Å; W1674-H1738 VanDerWaalsContact N-ND1 3.15Å; W1674-H1738 CarbonylContact O-C 3.56Å; W1674-H1738 VanDerWaalsContact O-CA 3.31Å; W1674-H1738 WeakPolarHBondContact O-CA 3.25Å; L1720-H1738 HydrophobicContact CD1-CB 4.08Å; L1720-H1738 HydrophobicContact CD2-CB 4.09Å; P1721-H1738 PolarHBondContact O-NE2 3.03Å; P1721-H1738 VanDerWaalsContact O-NE2 3.12Å; I1723-H1738 WeakPolarHBondContact CD1-NE2 3.4Å; I1723-H1738 WeakPolarHBondContact CG1-NE2 3.32Å; H1738-T1761 PolarHBondContact N-O 2.88Å; H1738-A1762 HydrophobicContact CB-CB 3.89Å; H1738-A1762 CarbonylContact O-C 3.54Å; H1738-A1762 WeakPolarHBondContact O-CA 3.44Å; H1738-A1762 VanDerWaalsContact O-CB 3.32Å; H1738-A1762 WeakPolarHBondContact O-CB 3.3Å; H1738-K1763 PolarHBondContact O-N 2.99Å
1739	Q	92.9	Very high	77.1	Confident	74.6 Å²	74.6	62.7 Å²	62.7	35%	0.349	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.1	177.1	-175.8	173.2	-12.2	0	0	111.1	W1674 S1675 Y1676 S1741 K1763	W1674-Q1739 PolarHBondContact O-N 3.05Å; S1675-Q1739 CarbonylContact C-O 3.52Å; S1675-Q1739 VanDerWaalsContact CA-O 3.31Å; S1675-Q1739 WeakPolarHBondContact CA-O 3.33Å; Y1676-Q1739 PolarHBondContact N-O 3.1Å; Q1739-S1741 PolarHBondContact NE2-OG 3.09Å; Q1739-K1763 CarbonylContact C-O 3.52Å; Q1739-K1763 WeakPolarHBondContact CA-O 3.36Å; Q1739-K1763 HydrophobicContact CG-CB 4.43Å
1740	I	96	Very high	79.4	Confident	0.8 Å²	0.8	56.4 Å²	56.4	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.6	171.4	-60.2	170.2	0	0	0	107.7	Y1676 F1718 L1720 L1742 I1757 K1763 L1764 N1765	Y1676-I1740 HydrophobicContact CD2-CG1 4.14Å; Y1676-I1740 CarbonylContact O-C 3.35Å; Y1676-I1740 WeakPolarHBondContact O-CA 3.27Å; F1718-I1740 HydrophobicContact CB-CD1 3.85Å; F1718-I1740 HydrophobicContact CD1-CD1 3.63Å; F1718-I1740 HydrophobicContact CD1-CG1 4.09Å; F1718-I1740 HydrophobicContact CD2-CD1 4.29Å; F1718-I1740 HydrophobicContact CE1-CD1 4.26Å; F1718-I1740 HydrophobicContact CE1-CG1 4.28Å; F1718-I1740 HydrophobicContact CE1-CG2 4.2Å; F1718-I1740 HydrophobicContact CE2-CG2 4.43Å; F1718-I1740 HydrophobicContact CG-CD1 3.69Å; F1718-I1740 HydrophobicContact CZ-CG2 4.21Å; L1720-I1740 HydrophobicContact CD1-CD1 4.03Å; L1720-I1740 HydrophobicContact CD2-CD1 4.33Å; L1720-I1740 HydrophobicContact CG-CD1 4.47Å; I1740-L1742 HydrophobicContact CG2-CD2 4.23Å; I1740-L1742 HydrophobicContact CG2-CG 4.2Å; I1740-I1757 HydrophobicContact CD1-CD1 4.34Å; I1740-I1757 HydrophobicContact CD1-CG1 4.3Å; I1740-I1757 HydrophobicContact CD1-CG2 3.87Å; I1740-K1763 PolarHBondContact N-O 3.11Å; I1740-L1764 HydrophobicContact CB-CD1 3.86Å; I1740-L1764 HydrophobicContact CD1-CD1 4.23Å; I1740-L1764 HydrophobicContact CG2-CD1 3.9Å; I1740-L1764 CarbonylContact O-C 3.57Å; I1740-L1764 WeakPolarHBondContact O-CA 3.33Å; I1740-N1765 PolarHBondContact O-N 3.04Å
1741	S	96.9	Very high	81.6	Confident	6 Å²	6	53.3 Å²	53.3	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	110	177.6	-58.3	0	0	0	0	109.4	Y1676 H1677 I1678 Q1739 N1765	Y1676-S1741 PolarHBondContact O-N 2.91Å; H1677-S1741 PolarHBondContact ND1-OG 2.6Å; I1678-S1741 PolarHBondContact N-O 2.98Å; Q1739-S1741 PolarHBondContact NE2-OG 3.09Å; S1741-N1765 CarbonylContact C-O 3.52Å; S1741-N1765 VanDerWaalsContact CA-O 3.3Å; S1741-N1765 WeakPolarHBondContact CA-O 3.32Å
1742	L	97.3	Very high	83.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	105.5	174.1	-54.7	-177.1	0	0	0	108.1	I1678 L1716 F1718 I1740 L1755 N1765 I1766 E1767 N1769	I1678-L1742 HydrophobicContact CB-CD2 3.76Å; I1678-L1742 HydrophobicContact CD1-CD2 3.75Å; I1678-L1742 HydrophobicContact CG1-CD2 4.14Å; I1678-L1742 HydrophobicContact CG2-CD2 4.28Å; I1678-L1742 WeakPolarHBondContact O-CA 3.25Å; L1716-L1742 HydrophobicContact CD2-CD2 4.46Å; F1718-L1742 HydrophobicContact CZ-CD2 4.43Å; I1740-L1742 HydrophobicContact CG2-CD2 4.23Å; I1740-L1742 HydrophobicContact CG2-CG 4.2Å; L1742-L1755 HydrophobicContact CD1-CD1 3.87Å; L1742-L1755 HydrophobicContact CD1-CD2 3.49Å; L1742-L1755 VanDerWaalsContact CD1-CD2 3.47Å; L1742-L1755 HydrophobicContact CD1-CG 4.35Å; L1742-N1765 PolarHBondContact N-O 3.07Å; L1742-I1766 HydrophobicContact CB-CG1 4.3Å; L1742-I1766 HydrophobicContact CB-CG2 4.35Å; L1742-I1766 HydrophobicContact CD1-CD1 4.29Å; L1742-I1766 HydrophobicContact CD1-CG1 4.12Å; L1742-I1766 HydrophobicContact CG-CG1 4.37Å; L1742-I1766 WeakPolarHBondContact O-CA 3.36Å; L1742-E1767 PolarHBondContact O-N 3.2Å; L1742-N1769 PolarHBondContact O-ND2 3.22Å; L1742-N1769 PolarHBondContact O-OD1 2.83Å
1743	L	97.6	Very high	85.6	Confident	37.4 Å²	37.4	41.3 Å²	41.3	20%	0.196	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126	-171.6	-58.1	176.2	0	0	0	111.4	I1678 F1679 N1680 N1745 E1767	I1678-L1743 PolarHBondContact O-N 3Å; F1679-L1743 CarbonylContact C-O 3.47Å; F1679-L1743 VanDerWaalsContact CA-O 3.27Å; F1679-L1743 WeakPolarHBondContact CA-O 3.34Å; F1679-L1743 HydrophobicContact CB-CB 4.08Å; F1679-L1743 WeakPolarHBondContact CB-O 3.27Å; F1679-L1743 HydrophobicContact CD2-CB 3.7Å; F1679-L1743 HydrophobicContact CD2-CD1 4.4Å; F1679-L1743 HydrophobicContact CE2-CB 4.45Å; N1680-L1743 PolarHBondContact N-O 2.98Å; L1743-N1745 VanDerWaalsContact C-N 3.28Å; L1743-N1745 PolarHBondContact N-ND2 3.12Å; L1743-N1745 VanDerWaalsContact N-ND2 3.13Å; L1743-N1745 PolarHBondContact O-N 2.88Å; L1743-N1745 PolarHBondContact O-ND2 3.04Å; L1743-E1767 CarbonylContact C-O 3.47Å; L1743-E1767 VanDerWaalsContact CA-O 3.31Å; L1743-E1767 WeakPolarHBondContact CA-O 3.4Å; L1743-E1767 HydrophobicContact CD2-CB 3.64Å; L1743-E1767 HydrophobicContact CD2-CG 3.8Å
1744	R	97.9	Very high	87.8	Confident	144.4 Å²	144.4	35.1 Å²	35.1	55%	0.545	18%	0.183	S	C	.	.	S	Bend	trans	58.1	30.2	173.6	-56.8	-177.5	-136.9	175.1	-0.5	115.1	F1679 N1680 E1767 N1768 N1769	F1679-R1744 HydrophobicContact CE2-CB 4.48Å; F1679-R1744 HydrophobicContact CE2-CG 4.26Å; N1680-R1744 VanDerWaalsContact CA-O 3.32Å; N1680-R1744 WeakPolarHBondContact CA-O 3.44Å; N1680-R1744 VanDerWaalsContact OD1-CB 3.25Å; N1680-R1744 WeakPolarHBondContact OD1-CB 3.33Å; N1680-R1744 PolarHBondContact OD1-NE 2.85Å; N1680-R1744 PolarHBondContact OD1-NH2 3.14Å; R1744-E1767 PolarHBondContact N-O 3.04Å; R1744-N1768 VanDerWaalsContact CA-O 3.26Å; R1744-N1768 WeakPolarHBondContact CA-O 3.2Å; R1744-N1768 HydrophobicContact CG-CB 3.85Å; R1744-N1769 PolarHBondContact N-OD1 3.18Å
1745	N	98.1	Very high	89.8	Confident	0.6 Å²	0.6	32.5 Å²	32.5	0%	0.003	16%	0.156	C	C	.	.			trans	-90.3	154.6	178.9	-54.4	-77.2	0	0	0	112.2	I1678 N1680 N1681 F1683 L1743 F1747 N1769 Q1770	I1678-N1745 PolarHBondContact O-ND2 3.07Å; I1678-N1745 PolarHBondContact O-OD1 2.92Å; N1680-N1745 PolarHBondContact N-OD1 3.25Å; N1681-N1745 VanDerWaalsContact CB-OD1 3.32Å; N1681-N1745 WeakPolarHBondContact CB-OD1 3.28Å; N1681-N1745 PolarHBondContact N-OD1 3.15Å; N1681-N1745 PolarHBondContact ND2-OD1 3.05Å; N1681-N1745 CarbonylContact O-C 3.52Å; N1681-N1745 VanDerWaalsContact O-CA 3.3Å; N1681-N1745 WeakPolarHBondContact O-CA 3.26Å; F1683-N1745 HydrophobicContact CE2-CB 4.34Å; L1743-N1745 VanDerWaalsContact C-N 3.28Å; L1743-N1745 PolarHBondContact N-ND2 3.12Å; L1743-N1745 VanDerWaalsContact N-ND2 3.13Å; L1743-N1745 PolarHBondContact O-N 2.88Å; L1743-N1745 PolarHBondContact O-ND2 3.04Å; N1745-F1747 HydrophobicContact CB-CD2 4.48Å; N1745-F1747 HydrophobicContact CB-CE2 3.73Å; N1745-F1747 HydrophobicContact CB-CZ 3.92Å; N1745-N1769 VanDerWaalsContact CB-OD1 3.3Å; N1745-N1769 WeakPolarHBondContact CB-OD1 3.29Å; N1745-N1769 PolarHBondContact N-OD1 3.25Å; N1745-N1769 PolarHBondContact ND2-OD1 2.97Å; N1745-N1769 CarbonylContact O-C 3.46Å; N1745-N1769 VanDerWaalsContact O-CA 3.29Å; N1745-N1769 WeakPolarHBondContact O-CA 3.33Å; N1745-Q1770 PolarHBondContact O-N 3.21Å
1746	Q	97.7	Very high	91.5	Very high	72.4 Å²	72.4	29.8 Å²	29.8	34%	0.338	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.3	176.8	-63.7	-178.7	-26	0	0	110.4	N1681 K1682 F1683	N1681-Q1746 PolarHBondContact O-N 2.99Å; K1682-Q1746 HydrophobicContact CG-CB 4.49Å; F1683-Q1746 PolarHBondContact N-O 3.2Å
1747	F	96.6	Very high	92.7	Very high	0.2 Å²	0.2	27.3 Å²	27.3	0%	0.001	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	99.9	176.1	-56.4	-85	0	0	0	108.6	F1683 L1716 N1745 F1753 N1769 Q1770 F1771 L1772 N1774	F1683-F1747 HydrophobicContact CB-CD1 3.6Å; F1683-F1747 HydrophobicContact CB-CE1 4.08Å; F1683-F1747 HydrophobicContact CB-CG 4.46Å; F1683-F1747 HydrophobicContact CD1-CE1 4.32Å; F1683-F1747 AromaticContact CD2-CD1 3.49Å; F1683-F1747 HydrophobicContact CD2-CD1 3.49Å; F1683-F1747 VanDerWaalsContact CD2-CD1 3.47Å; F1683-F1747 AromaticContact CD2-CE1 3.12Å; F1683-F1747 HydrophobicContact CD2-CE1 3.12Å; F1683-F1747 HydrophobicContact CD2-CG 4.38Å; F1683-F1747 AromaticContact CD2-CZ 3.79Å; F1683-F1747 HydrophobicContact CD2-CZ 3.79Å; F1683-F1747 HydrophobicContact CE2-CD1 4.31Å; F1683-F1747 AromaticContact CE2-CE1 3.49Å; F1683-F1747 HydrophobicContact CE2-CE1 3.49Å; F1683-F1747 VanDerWaalsContact CE2-CE1 3.48Å; F1683-F1747 AromaticContact CE2-CZ 3.84Å; F1683-F1747 HydrophobicContact CE2-CZ 3.84Å; F1683-F1747 AromaticContact CG-CD1 3.67Å; F1683-F1747 HydrophobicContact CG-CD1 3.67Å; F1683-F1747 AromaticContact CG-CE1 3.6Å; F1683-F1747 HydrophobicContact CG-CE1 3.6Å; F1683-F1747 HydrophobicContact CZ-CE1 4.23Å; F1683-F1747 WeakPolarHBondContact O-CA 3.25Å; L1716-F1747 HydrophobicContact CD1-CD1 4.27Å; L1716-F1747 HydrophobicContact CD1-CE1 3.52Å; L1716-F1747 VanDerWaalsContact CD1-CE1 3.45Å; L1716-F1747 HydrophobicContact CD1-CZ 4.12Å; L1716-F1747 HydrophobicContact CD2-CE1 4.05Å; L1716-F1747 HydrophobicContact CD2-CZ 4.11Å; L1716-F1747 HydrophobicContact CG-CE1 4.43Å; N1745-F1747 HydrophobicContact CB-CD2 4.48Å; N1745-F1747 HydrophobicContact CB-CE2 3.73Å; N1745-F1747 HydrophobicContact CB-CZ 3.92Å; F1747-F1753 HydrophobicContact CB-CE1 4.41Å; F1747-F1753 HydrophobicContact CB-CZ 4.3Å; F1747-F1753 HydrophobicContact CD1-CE1 4.18Å; F1747-F1753 AromaticContact CD1-CE2 3.82Å; F1747-F1753 HydrophobicContact CD1-CE2 3.82Å; F1747-F1753 AromaticContact CD1-CZ 3.33Å; F1747-F1753 HydrophobicContact CD1-CZ 3.33Å; F1747-F1753 HydrophobicContact CE1-CE2 4.33Å; F1747-F1753 AromaticContact CE1-CZ 3.83Å; F1747-F1753 HydrophobicContact CE1-CZ 3.83Å; F1747-F1753 HydrophobicContact CG-CE1 4.4Å; F1747-F1753 HydrophobicContact CG-CE2 4.5Å; F1747-F1753 AromaticContact CG-CZ 3.91Å; F1747-F1753 HydrophobicContact CG-CZ 3.96Å; F1747-N1769 HydrophobicContact CE2-CB 4.41Å; F1747-Q1770 PolarHBondContact N-O 3.01Å; F1747-F1771 HydrophobicContact CB-CD1 3.74Å; F1747-F1771 HydrophobicContact CB-CE1 4.18Å; F1747-F1771 HydrophobicContact CB-CG 4.4Å; F1747-F1771 HydrophobicContact CD1-CE1 4.45Å; F1747-F1771 AromaticContact CD2-CD1 3.58Å; F1747-F1771 HydrophobicContact CD2-CD1 3.58Å; F1747-F1771 HydrophobicContact CD2-CD2 4.41Å; F1747-F1771 AromaticContact CD2-CE1 3.27Å; F1747-F1771 HydrophobicContact CD2-CE1 3.27Å; F1747-F1771 HydrophobicContact CD2-CE2 4.16Å; F1747-F1771 HydrophobicContact CD2-CG 4.15Å; F1747-F1771 AromaticContact CD2-CZ 3.6Å; F1747-F1771 HydrophobicContact CD2-CZ 3.6Å; F1747-F1771 HydrophobicContact CE2-CD1 4.41Å; F1747-F1771 AromaticContact CE2-CE1 3.67Å; F1747-F1771 HydrophobicContact CE2-CE1 3.67Å; F1747-F1771 HydrophobicContact CE2-CE2 4.35Å; F1747-F1771 AromaticContact CE2-CZ 3.63Å; F1747-F1771 HydrophobicContact CE2-CZ 3.63Å; F1747-F1771 AromaticContact CG-CD1 3.82Å; F1747-F1771 HydrophobicContact CG-CD1 3.82Å; F1747-F1771 AromaticContact CG-CE1 3.73Å; F1747-F1771 HydrophobicContact CG-CE1 3.73Å; F1747-F1771 HydrophobicContact CG-CZ 4.46Å; F1747-F1771 HydrophobicContact CZ-CE1 4.41Å; F1747-F1771 HydrophobicContact CZ-CZ 4.49Å; F1747-F1771 WeakPolarHBondContact O-CA 3.23Å; F1747-L1772 PolarHBondContact O-N 3.07Å; F1747-N1774 PolarHBondContact O-ND2 2.93Å; F1747-N1774 PolarHBondContact O-OD1 3.02Å
1748	N	95.6	Very high	93	Very high	20.8 Å²	20.8	26.9 Å²	26.9	11%	0.111	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133	-170.9	-60.1	-16.5	0	0	0	111.7	F1683 I1684 E1685 N1750 Q1770 L1772	F1683-N1748 PolarHBondContact O-N 2.99Å; I1684-N1748 WeakPolarHBondContact CA-O 3.41Å; I1684-N1748 HydrophobicContact CG1-CB 4.49Å; E1685-N1748 PolarHBondContact N-O 3.19Å; E1685-N1748 VanDerWaalsContact N-O 3.1Å; N1748-N1750 PolarHBondContact N-ND2 3.05Å; N1748-N1750 PolarHBondContact O-N 3.14Å; N1748-N1750 PolarHBondContact O-ND2 2.95Å; N1748-Q1770 PolarHBondContact OD1-NE2 2.83Å; N1748-L1772 VanDerWaalsContact CA-O 3.32Å; N1748-L1772 WeakPolarHBondContact CA-O 3.21Å; N1748-L1772 WeakPolarHBondContact OD1-CB 3.21Å
1749	F	94.1	Very high	92.7	Very high	81.8 Å²	81.8	27.9 Å²	27.9	36%	0.359	13%	0.13	S	C	.	.	S	Bend	trans	56.3	20.4	170.7	-49.4	-74.4	0	0	0	115.5	E1685 L1772 E1773	E1685-F1749 WeakPolarHBondContact CA-O 3.36Å; E1685-F1749 HydrophobicContact CG-CB 3.84Å; F1749-L1772 HydrophobicContact CZ-CD2 4.49Å; F1749-L1772 PolarHBondContact N-O 2.9Å; F1749-E1773 WeakPolarHBondContact CA-O 3.38Å; F1749-E1773 HydrophobicContact CD1-CB 3.73Å; F1749-E1773 HydrophobicContact CE1-CB 3.81Å; F1749-E1773 HydrophobicContact CE1-CG 4.23Å; F1749-E1773 VanDerWaalsContact CE1-OE2 3.29Å; F1749-E1773 WeakPolarHBondContact CE1-OE2 3.29Å
1750	N	92.3	Very high	92.2	Very high	0.2 Å²	0.2	25.2 Å²	25.2	0%	0.001	12%	0.117	C	C	.	.			trans	-72.4	147.9	179.6	-58.3	-77.8	0	0	0	110.6	F1683 E1685 N1686 N1748 F1753 N1774 Y1775	F1683-N1750 PolarHBondContact O-ND2 3.04Å; F1683-N1750 PolarHBondContact O-OD1 3.02Å; E1685-N1750 PolarHBondContact N-OD1 3.07Å; N1686-N1750 WeakPolarHBondContact CB-OD1 3.31Å; N1686-N1750 PolarHBondContact N-OD1 3.08Å; N1686-N1750 PolarHBondContact ND2-OD1 2.95Å; N1686-N1750 VanDerWaalsContact ND2-OD1 3.1Å; N1686-N1750 CarbonylContact O-C 3.48Å; N1686-N1750 WeakPolarHBondContact O-CA 3.37Å; N1748-N1750 PolarHBondContact N-ND2 3.05Å; N1748-N1750 PolarHBondContact O-N 3.14Å; N1748-N1750 PolarHBondContact O-ND2 2.95Å; N1750-F1753 HydrophobicContact CB-CB 3.58Å; N1750-F1753 HydrophobicContact CB-CD2 3.72Å; N1750-F1753 HydrophobicContact CB-CG 3.8Å; N1750-N1774 WeakPolarHBondContact CB-OD1 3.37Å; N1750-N1774 PolarHBondContact N-OD1 2.9Å; N1750-N1774 VanDerWaalsContact N-OD1 3.12Å; N1750-N1774 PolarHBondContact ND2-OD1 3.17Å; N1750-N1774 CarbonylContact O-C 3.52Å; N1750-N1774 WeakPolarHBondContact O-CA 3.41Å; N1750-Y1775 PolarHBondContact O-N 2.97Å
1751	K	87.9	Confident	91.7	Very high	65.4 Å²	65.4	25.8 Å²	25.8	28%	0.284	12%	0.121	S	C	.	.	S	Bend	trans	-106	140.1	180	-60.4	-100.8	-179.4	-179.1	0	110.1	N1686 G1687 L1688 I1689 E1692 F1753 Y1775	N1686-K1751 PolarHBondContact O-N 3.09Å; G1687-K1751 VanDerWaalsContact CA-O 3.26Å; G1687-K1751 WeakPolarHBondContact CA-O 3.32Å; G1687-K1751 WeakPolarHBondContact O-CB 3.26Å; L1688-K1751 HydrophobicContact CB-CD 4.21Å; L1688-K1751 HydrophobicContact CD1-CD 3.85Å; L1688-K1751 HydrophobicContact CD2-CG 4.02Å; L1688-K1751 HydrophobicContact CG-CD 3.91Å; L1688-K1751 HydrophobicContact CG-CG 4.25Å; I1689-K1751 HydrophobicContact CD1-CD 4.22Å; I1689-K1751 HydrophobicContact CD1-CG 4.33Å; I1689-K1751 HydrophobicContact CG1-CB 4.07Å; I1689-K1751 HydrophobicContact CG1-CD 4.14Å; I1689-K1751 HydrophobicContact CG1-CG 4.24Å; E1692-K1751 IonicContact OE1-NZ 3.63Å; E1692-K1751 PolarHBondContact OE1-NZ 2.81Å; E1692-K1751 IonicContact OE2-NZ 3.33Å; E1692-K1751 PolarHBondContact OE2-NZ 3.11Å; K1751-F1753 PolarHBondContact O-N 3.08Å; K1751-F1753 VanDerWaalsContact O-N 3.14Å; K1751-Y1775 CarbonylContact C-O 3.5Å; K1751-Y1775 HydrophobicContact CD-CD2 3.84Å; K1751-Y1775 HydrophobicContact CD-CG 4.02Å
1752	N	84.1	Confident	91.3	Very high	12.2 Å²	12.2	25.7 Å²	25.7	7%	0.065	12%	0.12	C	C	.	.	S	Bend	trans	50.6	38.7	-174.4	-123.4	10.6	0	0	0	113.2	I1689 F1712 H1714 H1754 Y1775 C1776 Q1777 N1778	I1689-N1752 WeakPolarHBondContact CD1-ND2 3.32Å; F1712-N1752 PolarHBondContact O-ND2 3.15Å; H1714-N1752 CarbonylContact C-O 3.55Å; H1714-N1752 WeakPolarHBondContact CA-O 3.42Å; H1714-N1752 HydrophobicContact CB-CB 4.22Å; H1714-N1752 VanDerWaalsContact CB-O 3.32Å; H1714-N1752 WeakPolarHBondContact CB-O 3.33Å; H1714-N1752 PolarHBondContact CD2-ND2 3.14Å; H1714-N1752 PolarHBondContact CE1-ND2 2.97Å; H1714-N1752 PolarHBondContact N-O 2.79Å; H1714-N1752 VanDerWaalsContact N-O 3.16Å; H1714-N1752 PolarHBondContact ND1-ND2 3.39Å; H1714-N1752 VanDerWaalsContact ND1-ND2 3.14Å; H1714-N1752 PolarHBondContact NE2-ND2 2.86Å; H1714-N1752 VanDerWaalsContact NE2-ND2 3.11Å; N1752-H1754 PolarHBondContact O-CD2 2.99Å; N1752-H1754 VanDerWaalsContact O-CD2 3.26Å; N1752-H1754 PolarHBondContact O-NE2 3.15Å; N1752-H1754 PolarHBondContact OD1-NE2 3.41Å; N1752-Y1775 CarbonylContact C-O 3.55Å; N1752-Y1775 VanDerWaalsContact CA-O 3.28Å; N1752-Y1775 WeakPolarHBondContact CA-O 3.29Å; N1752-Y1775 PolarHBondContact N-O 3.17Å; N1752-C1776 CarbonylContact C-O 3.26Å; N1752-C1776 WeakPolarHBondContact CA-O 3.26Å; N1752-C1776 PolarHBondContact OD1-O 3.01Å; N1752-Q1777 HydrophobicContact CB-CB 3.88Å; N1752-Q1777 WeakPolarHBondContact OD1-CB 3.36Å; N1752-Q1777 PolarHBondContact OD1-N 3.12Å; N1752-N1778 HydrophobicContact CB-CB 4.49Å; N1752-N1778 PolarHBondContact ND2-ND2 3.33Å; N1752-N1778 WeakPolarHBondContact OD1-CA 3.26Å; N1752-N1778 WeakPolarHBondContact OD1-CB 3.28Å; N1752-N1778 PolarHBondContact OD1-N 3.07Å
1753	F	89.3	Confident	91.1	Very high	2.2 Å²	2.2	29.3 Å²	29.3	1%	0.01	14%	0.136	C	C	.	.			trans	-90.9	129.6	-167.7	178.8	-88.9	0	0	0	112.7	H1714 L1716 F1747 N1750 K1751 F1771 N1774 Y1775 L1791	H1714-F1753 CarbonylContact O-C 3.59Å; H1714-F1753 WeakPolarHBondContact O-CA 3.48Å; L1716-F1753 HydrophobicContact CD1-CE2 3.63Å; L1716-F1753 HydrophobicContact CD1-CZ 3.89Å; L1716-F1753 VanDerWaalsContact CD1-CZ 3.49Å; F1747-F1753 HydrophobicContact CB-CE1 4.41Å; F1747-F1753 HydrophobicContact CB-CZ 4.3Å; F1747-F1753 HydrophobicContact CD1-CE1 4.18Å; F1747-F1753 AromaticContact CD1-CE2 3.82Å; F1747-F1753 HydrophobicContact CD1-CE2 3.82Å; F1747-F1753 AromaticContact CD1-CZ 3.33Å; F1747-F1753 HydrophobicContact CD1-CZ 3.33Å; F1747-F1753 HydrophobicContact CE1-CE2 4.33Å; F1747-F1753 AromaticContact CE1-CZ 3.83Å; F1747-F1753 HydrophobicContact CE1-CZ 3.83Å; F1747-F1753 HydrophobicContact CG-CE1 4.4Å; F1747-F1753 HydrophobicContact CG-CE2 4.5Å; F1747-F1753 AromaticContact CG-CZ 3.91Å; F1747-F1753 HydrophobicContact CG-CZ 3.96Å; N1750-F1753 HydrophobicContact CB-CB 3.58Å; N1750-F1753 HydrophobicContact CB-CD2 3.72Å; N1750-F1753 HydrophobicContact CB-CG 3.8Å; K1751-F1753 PolarHBondContact O-N 3.08Å; K1751-F1753 VanDerWaalsContact O-N 3.14Å; F1753-F1771 HydrophobicContact CE1-CD1 4.17Å; F1753-F1771 AromaticContact CE1-CE1 3.96Å; F1753-F1771 HydrophobicContact CE1-CE1 4.07Å; F1753-F1771 HydrophobicContact CZ-CE1 4.43Å; F1753-N1774 HydrophobicContact CB-CB 4.32Å; F1753-N1774 HydrophobicContact CD1-CB 4.39Å; F1753-N1774 HydrophobicContact CG-CB 4.5Å; F1753-Y1775 PolarHBondContact N-O 3.22Å; F1753-Y1775 VanDerWaalsContact N-O 3.09Å; F1753-L1791 HydrophobicContact CD1-CD1 3.77Å; F1753-L1791 HydrophobicContact CE1-CD1 4.2Å
1754	H	88.5	Confident	90.9	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.014	13%	0.127	C	C	.	.			trans	-136.3	139.4	177.1	-49	-74.3	0	0	0	110.8	H1713 H1714 G1715 L1716 N1752 Q1756 C1776 N1789 G1790	H1713-H1754 AromaticContact ND1-CE1 3.68Å; H1713-H1754 AromaticContact ND1-ND1 3.91Å; H1713-H1754 AromaticContact ND1-NE2 3.74Å; H1714-H1754 PolarHBondContact O-CD2 2.97Å; H1714-H1754 PolarHBondContact O-N 3.28Å; G1715-H1754 CarbonylContact C-O 3.52Å; G1715-H1754 WeakPolarHBondContact CA-O 3.29Å; L1716-H1754 PolarHBondContact N-O 2.95Å; N1752-H1754 PolarHBondContact O-CD2 2.99Å; N1752-H1754 VanDerWaalsContact O-CD2 3.26Å; N1752-H1754 PolarHBondContact O-NE2 3.15Å; N1752-H1754 PolarHBondContact OD1-NE2 3.41Å; H1754-Q1756 HydrophobicContact CB-CG 3.83Å; H1754-C1776 PolarHBondContact CE1-O 2.96Å; H1754-C1776 PolarHBondContact NE2-O 3.12Å; H1754-C1776 VanDerWaalsContact NE2-O 3.09Å; H1754-N1789 WeakPolarHBondContact CE1-CB 3.45Å; H1754-N1789 PolarHBondContact NE2-ND2 3.16Å; H1754-G1790 PolarHBondContact ND1-O 2.82Å
1755	L	93.1	Very high	90.8	Very high	0.6 Å²	0.6	22.2 Å²	22.2	0%	0.003	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	105.2	162.5	172	61.8	0	0	0	108.3	L1716 F1718 L1742 I1757 I1766 F1771 L1791 I1792 Q1793	L1716-L1755 HydrophobicContact CB-CB 4.49Å; L1716-L1755 HydrophobicContact CB-CD1 3.71Å; L1716-L1755 HydrophobicContact CD1-CD1 4.27Å; L1716-L1755 HydrophobicContact CD2-CD1 4.37Å; L1716-L1755 CarbonylContact O-C 3.56Å; L1716-L1755 WeakPolarHBondContact O-CA 3.38Å; F1718-L1755 HydrophobicContact CD2-CD1 4.23Å; F1718-L1755 HydrophobicContact CE2-CD1 3.88Å; L1742-L1755 HydrophobicContact CD1-CD1 3.87Å; L1742-L1755 HydrophobicContact CD1-CD2 3.49Å; L1742-L1755 VanDerWaalsContact CD1-CD2 3.47Å; L1742-L1755 HydrophobicContact CD1-CG 4.35Å; L1755-I1757 HydrophobicContact CD1-CD1 4.24Å; L1755-I1757 HydrophobicContact CD1-CG1 4.47Å; L1755-I1757 HydrophobicContact CD2-CD1 4.4Å; L1755-I1757 HydrophobicContact CG-CD1 3.91Å; L1755-I1766 HydrophobicContact CD2-CD1 3.96Å; L1755-F1771 HydrophobicContact CD2-CZ 4.43Å; L1755-L1791 PolarHBondContact N-O 2.96Å; L1755-I1792 HydrophobicContact CB-CG1 4.25Å; L1755-I1792 HydrophobicContact CD2-CD1 4.09Å; L1755-I1792 HydrophobicContact CD2-CG1 4.11Å; L1755-I1792 HydrophobicContact CD2-CG2 4.29Å; L1755-I1792 CarbonylContact O-C 3.51Å; L1755-I1792 WeakPolarHBondContact O-CA 3.33Å; L1755-Q1793 PolarHBondContact O-N 3.18Å
1756	Q	90.1	Very high	90.8	Very high	15.6 Å²	15.6	22.2 Å²	22.2	7%	0.073	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.9	-173.5	-66.9	-178	-39.5	0	0	111.1	L1716 Q1717 F1718 H1754 F1758 Q1793	L1716-Q1756 PolarHBondContact O-N 2.9Å; Q1717-Q1756 CarbonylContact C-O 3.52Å; Q1717-Q1756 WeakPolarHBondContact CA-O 3.32Å; Q1717-Q1756 HydrophobicContact CB-CB 4.47Å; Q1717-Q1756 HydrophobicContact CG-CB 4.3Å; F1718-Q1756 PolarHBondContact N-O 3.04Å; H1754-Q1756 HydrophobicContact CB-CG 3.83Å; Q1756-F1758 HydrophobicContact CB-CD2 4.2Å; Q1756-F1758 HydrophobicContact CB-CE1 3.98Å; Q1756-F1758 HydrophobicContact CB-CE2 3.56Å; Q1756-F1758 VanDerWaalsContact CB-CE2 3.42Å; Q1756-F1758 HydrophobicContact CB-CZ 3.61Å; Q1756-F1758 VanDerWaalsContact CD-CZ 3.41Å; Q1756-F1758 HydrophobicContact CG-CE1 4.02Å; Q1756-F1758 HydrophobicContact CG-CE2 4.17Å; Q1756-F1758 HydrophobicContact CG-CZ 3.89Å; Q1756-Q1793 CarbonylContact C-O 3.51Å; Q1756-Q1793 WeakPolarHBondContact CA-O 3.41Å; Q1756-Q1793 HydrophobicContact CG-CB 4.39Å
1757	I	91.1	Very high	90.8	Very high	0.8 Å²	0.8	21.4 Å²	21.4	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.3	179.5	-56.7	155	0	0	0	108.9	F1718 L1720 I1740 L1755 L1764 Q1793 S1794 Y1795 R1799	F1718-I1757 HydrophobicContact CB-CG1 4.31Å; F1718-I1757 HydrophobicContact CB-CG2 4.46Å; F1718-I1757 HydrophobicContact CD2-CG1 4.04Å; F1718-I1757 HydrophobicContact CG-CG1 4.45Å; F1718-I1757 WeakPolarHBondContact O-CA 3.3Å; L1720-I1757 HydrophobicContact CD1-CG2 4.13Å; I1740-I1757 HydrophobicContact CD1-CD1 4.34Å; I1740-I1757 HydrophobicContact CD1-CG1 4.3Å; I1740-I1757 HydrophobicContact CD1-CG2 3.87Å; L1755-I1757 HydrophobicContact CD1-CD1 4.24Å; L1755-I1757 HydrophobicContact CD1-CG1 4.47Å; L1755-I1757 HydrophobicContact CD2-CD1 4.4Å; L1755-I1757 HydrophobicContact CG-CD1 3.91Å; I1757-L1764 HydrophobicContact CB-CD1 4.4Å; I1757-L1764 HydrophobicContact CD1-CD1 3.54Å; I1757-L1764 VanDerWaalsContact CD1-CD1 3.49Å; I1757-L1764 HydrophobicContact CD1-CD2 3.57Å; I1757-L1764 VanDerWaalsContact CD1-CD2 3.45Å; I1757-L1764 HydrophobicContact CD1-CG 4.18Å; I1757-L1764 HydrophobicContact CG1-CD1 3.75Å; I1757-L1764 HydrophobicContact CG2-CD1 4.25Å; I1757-Q1793 PolarHBondContact N-O 2.96Å; I1757-S1794 CarbonylContact O-C 3.57Å; I1757-S1794 VanDerWaalsContact O-CA 3.28Å; I1757-S1794 WeakPolarHBondContact O-CA 3.36Å; I1757-Y1795 PolarHBondContact O-N 3.16Å; I1757-R1799 PolarHBondContact O-NH1 3.06Å
1758	F	86.2	Confident	90.8	Very high	26 Å²	26	24.8 Å²	24.8	11%	0.114	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.1	-171.9	-45.2	-54.4	0	0	0	112.7	Q1717 F1718 Y1719 L1720 Q1756 Q1793 Y1795 R1799	Q1717-F1758 HydrophobicContact CG-CD2 4.4Å; Q1717-F1758 HydrophobicContact CG-CE1 3.63Å; Q1717-F1758 HydrophobicContact CG-CE2 4.27Å; Q1717-F1758 HydrophobicContact CG-CZ 4.37Å; Q1717-F1758 VanDerWaalsContact NE2-CE1 3.3Å; Q1717-F1758 VanDerWaalsContact NE2-CZ 3.33Å; F1718-F1758 WeakPolarHBondContact O-CD1 3.1Å; F1718-F1758 WeakPolarHBondContact O-CE1 3.34Å; F1718-F1758 PolarHBondContact O-N 2.96Å; Y1719-F1758 CarbonylContact C-O 3.46Å; Y1719-F1758 VanDerWaalsContact CB-CZ 3.41Å; Y1719-F1758 HydrophobicContact CD1-CB 4.01Å; Y1719-F1758 AromaticContact CD1-CD2 3.82Å; Y1719-F1758 HydrophobicContact CD1-CD2 3.82Å; Y1719-F1758 HydrophobicContact CD1-CG 4.23Å; Y1719-F1758 HydrophobicContact CD2-CB 3.87Å; Y1719-F1758 AromaticContact CD2-CD2 3.26Å; Y1719-F1758 HydrophobicContact CD2-CD2 3.26Å; Y1719-F1758 HydrophobicContact CD2-CE1 4.46Å; Y1719-F1758 AromaticContact CD2-CE2 3.04Å; Y1719-F1758 HydrophobicContact CD2-CE2 3.04Å; Y1719-F1758 HydrophobicContact CD2-CG 4.1Å; Y1719-F1758 AromaticContact CD2-CZ 3.72Å; Y1719-F1758 HydrophobicContact CD2-CZ 3.72Å; Y1719-F1758 HydrophobicContact CE1-CB 4.36Å; Y1719-F1758 AromaticContact CE1-CD2 3.37Å; Y1719-F1758 HydrophobicContact CE1-CD2 3.37Å; Y1719-F1758 VanDerWaalsContact CE1-CD2 3.43Å; Y1719-F1758 AromaticContact CE1-CE2 3.88Å; Y1719-F1758 HydrophobicContact CE1-CE2 4.01Å; Y1719-F1758 HydrophobicContact CE1-CG 4.24Å; Y1719-F1758 HydrophobicContact CE2-CB 4.34Å; Y1719-F1758 AromaticContact CE2-CD2 3.87Å; Y1719-F1758 HydrophobicContact CE2-CD2 4.08Å; Y1719-F1758 AromaticContact CE2-CE2 3.76Å; Y1719-F1758 HydrophobicContact CE2-CE2 3.76Å; Y1719-F1758 HydrophobicContact CG-CD2 4.16Å; Y1719-F1758 AromaticContact CG-CE2 3.53Å; Y1719-F1758 HydrophobicContact CG-CE2 3.53Å; Y1719-F1758 AromaticContact CG-CZ 3.75Å; Y1719-F1758 HydrophobicContact CG-CZ 3.75Å; Y1719-F1758 AromaticContact CZ-CD2 3.78Å; L1720-F1758 VanDerWaalsContact CB-O 3.31Å; L1720-F1758 WeakPolarHBondContact CB-O 3.33Å; L1720-F1758 PolarHBondContact N-O 3.05Å; Q1756-F1758 HydrophobicContact CB-CD2 4.2Å; Q1756-F1758 HydrophobicContact CB-CE1 3.98Å; Q1756-F1758 HydrophobicContact CB-CE2 3.56Å; Q1756-F1758 VanDerWaalsContact CB-CE2 3.42Å; Q1756-F1758 HydrophobicContact CB-CZ 3.61Å; Q1756-F1758 VanDerWaalsContact CD-CZ 3.41Å; Q1756-F1758 HydrophobicContact CG-CE1 4.02Å; Q1756-F1758 HydrophobicContact CG-CE2 4.17Å; Q1756-F1758 HydrophobicContact CG-CZ 3.89Å; F1758-Q1793 HydrophobicContact CE1-CG 4.31Å; F1758-Y1795 CarbonylContact C-O 3.52Å; F1758-Y1795 VanDerWaalsContact CA-O 3.27Å; F1758-Y1795 WeakPolarHBondContact CA-O 3.25Å; F1758-Y1795 HydrophobicContact CB-CD1 3.71Å; F1758-Y1795 HydrophobicContact CB-CD2 3.92Å; F1758-Y1795 HydrophobicContact CB-CE1 3.44Å; F1758-Y1795 VanDerWaalsContact CB-CE1 3.44Å; F1758-Y1795 HydrophobicContact CB-CE2 3.46Å; F1758-Y1795 HydrophobicContact CB-CG 3.83Å; F1758-Y1795 VanDerWaalsContact CD1-CB 3.42Å; F1758-Y1795 AromaticContact CD1-CD1 3.57Å; F1758-Y1795 HydrophobicContact CD1-CD1 3.57Å; F1758-Y1795 AromaticContact CD1-CD2 3.72Å; F1758-Y1795 HydrophobicContact CD1-CD2 3.72Å; F1758-Y1795 AromaticContact CD1-CE1 2.93Å; F1758-Y1795 HydrophobicContact CD1-CE1 3.5Å; F1758-Y1795 AromaticContact CD1-CE2 3.47Å; F1758-Y1795 HydrophobicContact CD1-CE2 3.47Å; F1758-Y1795 VanDerWaalsContact CD1-CE2 3.47Å; F1758-Y1795 AromaticContact CD1-CG 3.51Å; F1758-Y1795 HydrophobicContact CD1-CG 4.11Å; F1758-Y1795 AromaticContact CD1-CZ 3.44Å; F1758-Y1795 WeakPolarHBondContact CD1-OH 3.16Å; F1758-Y1795 HydrophobicContact CD2-CE1 4.04Å; F1758-Y1795 AromaticContact CD2-CE2 3.91Å; F1758-Y1795 HydrophobicContact CD2-CE2 4.12Å; F1758-Y1795 AromaticContact CD2-CZ 3.67Å; F1758-Y1795 WeakPolarHBondContact CD2-OH 3.26Å; F1758-Y1795 AromaticContact CE1-CD1 3.08Å; F1758-Y1795 HydrophobicContact CE1-CD1 3.7Å; F1758-Y1795 AromaticContact CE1-CD2 3.96Å; F1758-Y1795 HydrophobicContact CE1-CD2 4.21Å; F1758-Y1795 AromaticContact CE1-CE1 2.77Å; F1758-Y1795 HydrophobicContact CE1-CE1 2.77Å; F1758-Y1795 HydrophobicContact CE1-CE2 4.21Å; F1758-Y1795 AromaticContact CE1-CG 3.93Å; F1758-Y1795 HydrophobicContact CE1-CG 4.08Å; F1758-Y1795 AromaticContact CE1-CZ 3.35Å; F1758-Y1795 AromaticContact CE2-CE1 3.83Å; F1758-Y1795 HydrophobicContact CE2-CE1 3.83Å; F1758-Y1795 AromaticContact CE2-CZ 3.77Å; F1758-Y1795 WeakPolarHBondContact CE2-OH 3.37Å; F1758-Y1795 HydrophobicContact CG-CD1 4.17Å; F1758-Y1795 HydrophobicContact CG-CD2 4.18Å; F1758-Y1795 AromaticContact CG-CE1 3.72Å; F1758-Y1795 HydrophobicContact CG-CE1 3.72Å; F1758-Y1795 AromaticContact CG-CE2 3.65Å; F1758-Y1795 HydrophobicContact CG-CE2 3.65Å; F1758-Y1795 HydrophobicContact CG-CG 4.4Å; F1758-Y1795 AromaticContact CG-CZ 3.24Å; F1758-Y1795 VanDerWaalsContact CG-OH 3.27Å; F1758-Y1795 WeakPolarHBondContact CG-OH 3.45Å; F1758-Y1795 AromaticContact CZ-CD1 3.94Å; F1758-Y1795 HydrophobicContact CZ-CD1 3.94Å; F1758-Y1795 AromaticContact CZ-CE1 3.18Å; F1758-Y1795 HydrophobicContact CZ-CE1 3.18Å; F1758-Y1795 AromaticContact CZ-CZ 3.63Å; F1758-R1799 VanDerWaalsContact C-NH2 3.32Å; F1758-R1799 PolarHBondContact O-NH2 3.4Å
1759	G	82.9	Confident	90.9	Very high	21.6 Å²	21.6	23.9 Å²	23.9	22%	0.223	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.9	-132.7	169.3	0	0	0	0	0	114.8	L1720 Y1795 M1797 R1799	L1720-G1759 CarbonylContact O-C 3.47Å; L1720-G1759 VanDerWaalsContact O-CA 3.27Å; L1720-G1759 WeakPolarHBondContact O-CA 3.37Å; G1759-Y1795 PolarHBondContact N-O 3.21Å; G1759-M1797 PolarHBondContact O-N 2.98Å; G1759-R1799 VanDerWaalsContact C-NH2 3.28Å; G1759-R1799 VanDerWaalsContact N-NH2 3.16Å; G1759-R1799 PolarHBondContact O-NH2 3.16Å
1760	Y	83.3	Confident	91.1	Very high	18 Å²	18	22.8 Å²	22.8	7%	0.071	11%	0.114	C	C	.	.	S	Bend	trans	-73.6	174.7	-171.3	-159.4	-118.9	0	0	0	113.9	L1720 P1721 F1722 I1723 M1797 R1799	L1720-Y1760 PolarHBondContact O-N 3.12Å; P1721-Y1760 VanDerWaalsContact O-CB 3.25Å; P1721-Y1760 WeakPolarHBondContact O-CB 3.39Å; F1722-Y1760 HydrophobicContact CB-CD2 3.92Å; F1722-Y1760 HydrophobicContact CB-CE2 4.08Å; F1722-Y1760 HydrophobicContact CB-CG 4.27Å; F1722-Y1760 AromaticContact CD1-CD2 3.29Å; F1722-Y1760 HydrophobicContact CD1-CD2 3.29Å; F1722-Y1760 AromaticContact CD1-CE2 3.3Å; F1722-Y1760 HydrophobicContact CD1-CE2 3.3Å; F1722-Y1760 HydrophobicContact CD1-CG 4.48Å; F1722-Y1760 AromaticContact CD2-CD2 3.6Å; F1722-Y1760 HydrophobicContact CD2-CD2 3.7Å; F1722-Y1760 VanDerWaalsContact CD2-CD2 3.44Å; F1722-Y1760 HydrophobicContact CD2-CE1 4.44Å; F1722-Y1760 AromaticContact CD2-CE2 3.21Å; F1722-Y1760 HydrophobicContact CD2-CE2 3.21Å; F1722-Y1760 HydrophobicContact CD2-CG 4.43Å; F1722-Y1760 AromaticContact CD2-CZ 3.8Å; F1722-Y1760 AromaticContact CE1-CD2 3.76Å; F1722-Y1760 HydrophobicContact CE1-CD2 3.76Å; F1722-Y1760 AromaticContact CE1-CE2 3.69Å; F1722-Y1760 HydrophobicContact CE1-CE2 3.86Å; F1722-Y1760 HydrophobicContact CE2-CD2 4.3Å; F1722-Y1760 AromaticContact CE2-CE2 3.6Å; F1722-Y1760 HydrophobicContact CE2-CE2 3.6Å; F1722-Y1760 AromaticContact CE2-CZ 3.83Å; F1722-Y1760 AromaticContact CG-CD2 3.36Å; F1722-Y1760 HydrophobicContact CG-CD2 3.88Å; F1722-Y1760 AromaticContact CG-CE2 3.78Å; F1722-Y1760 HydrophobicContact CG-CE2 4.03Å; F1722-Y1760 HydrophobicContact CG-CG 4.23Å; F1722-Y1760 HydrophobicContact CZ-CD2 4.25Å; F1722-Y1760 HydrophobicContact CZ-CE2 4.47Å; I1723-Y1760 HydrophobicContact CB-CD1 4.49Å; I1723-Y1760 HydrophobicContact CB-CE1 4.16Å; I1723-Y1760 HydrophobicContact CD1-CD1 4.22Å; I1723-Y1760 HydrophobicContact CD1-CE1 4.08Å; I1723-Y1760 HydrophobicContact CG1-CD1 4.19Å; I1723-Y1760 HydrophobicContact CG1-CE1 4.11Å; Y1760-M1797 HydrophobicContact CD2-CE 4.26Å; Y1760-M1797 HydrophobicContact CD2-SD 3.23Å; Y1760-M1797 WeakPolarHBondContact CD2-SD 3.31Å; Y1760-M1797 HydrophobicContact CE2-CE 3.87Å; Y1760-M1797 HydrophobicContact CE2-SD 3.4Å; Y1760-M1797 WeakPolarHBondContact CE2-SD 3.36Å; Y1760-M1797 HydrophobicContact CG-SD 4.3Å; Y1760-R1799 PolarHBondContact O-NE 3.17Å; Y1760-R1799 PolarHBondContact O-NH2 2.94Å
1761	T	85.1	Confident	91.3	Very high	13 Å²	13	22.8 Å²	22.8	8%	0.08	11%	0.114	C	C	.	.			trans	-65.8	145.2	179.6	178.2	0	0	0	0	111.9	H1738 M1797 E1798	H1738-T1761 PolarHBondContact N-O 2.88Å; T1761-M1797 HydrophobicContact CG2-CB 3.87Å; T1761-M1797 HydrophobicContact CG2-CE 3.95Å; T1761-M1797 HydrophobicContact CG2-SD 4.33Å; T1761-E1798 VanDerWaalsContact CB-O 3.27Å; T1761-E1798 WeakPolarHBondContact CB-O 3.3Å; T1761-E1798 WeakPolarHBondContact CG2-O 3.23Å; T1761-E1798 PolarHBondContact OG1-O 2.92Å
1762	A	89.1	Confident	91.7	Very high	2.8 Å²	2.8	20.7 Å²	20.7	2%	0.023	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	157.9	-175.5	0	0	0	0	0	112.1	L1720 H1738 R1799 E1800	L1720-A1762 HydrophobicContact CD1-CB 3.55Å; L1720-A1762 VanDerWaalsContact CD1-CB 3.47Å; H1738-A1762 HydrophobicContact CB-CB 3.89Å; H1738-A1762 CarbonylContact O-C 3.54Å; H1738-A1762 WeakPolarHBondContact O-CA 3.44Å; H1738-A1762 VanDerWaalsContact O-CB 3.32Å; H1738-A1762 WeakPolarHBondContact O-CB 3.3Å; A1762-R1799 HydrophobicContact CB-CG 4.43Å; A1762-R1799 WeakPolarHBondContact O-CA 3.38Å; A1762-R1799 VanDerWaalsContact O-CB 3.29Å; A1762-R1799 WeakPolarHBondContact O-CB 3.3Å; A1762-E1800 PolarHBondContact O-N 3.11Å; A1762-E1800 VanDerWaalsContact O-N 3.09Å
1763	K	91.9	Very high	92.2	Very high	76.2 Å²	76.2	22.1 Å²	22.1	33%	0.331	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.4	164.8	-161.6	176.7	-171.8	158.6	0	109.9	H1738 Q1739 I1740 E1800	H1738-K1763 PolarHBondContact O-N 2.99Å; Q1739-K1763 CarbonylContact C-O 3.52Å; Q1739-K1763 WeakPolarHBondContact CA-O 3.36Å; Q1739-K1763 HydrophobicContact CG-CB 4.43Å; I1740-K1763 PolarHBondContact N-O 3.11Å; K1763-E1800 VanDerWaalsContact CD-OE2 3.28Å; K1763-E1800 WeakPolarHBondContact CD-OE2 3.34Å; K1763-E1800 WeakPolarHBondContact CE-OE2 3.33Å; K1763-E1800 HydrophobicContact CG-CB 4.36Å; K1763-E1800 WeakPolarHBondContact CG-OE2 3.4Å; K1763-E1800 IonicContact NZ-OE1 3.74Å; K1763-E1800 PolarHBondContact NZ-OE1 2.87Å; K1763-E1800 IonicContact NZ-OE2 3.1Å; K1763-E1800 PolarHBondContact NZ-OE2 2.45Å
1764	L	94.5	Very high	92.4	Very high	3 Å²	3	22 Å²	22	2%	0.016	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.4	-178.5	-177.9	66.8	0	0	0	110.1	I1740 I1757 I1766 E1800 I1801 F1802	I1740-L1764 HydrophobicContact CB-CD1 3.86Å; I1740-L1764 HydrophobicContact CD1-CD1 4.23Å; I1740-L1764 HydrophobicContact CG2-CD1 3.9Å; I1740-L1764 CarbonylContact O-C 3.57Å; I1740-L1764 WeakPolarHBondContact O-CA 3.33Å; I1757-L1764 HydrophobicContact CB-CD1 4.4Å; I1757-L1764 HydrophobicContact CD1-CD1 3.54Å; I1757-L1764 VanDerWaalsContact CD1-CD1 3.49Å; I1757-L1764 HydrophobicContact CD1-CD2 3.57Å; I1757-L1764 VanDerWaalsContact CD1-CD2 3.45Å; I1757-L1764 HydrophobicContact CD1-CG 4.18Å; I1757-L1764 HydrophobicContact CG1-CD1 3.75Å; I1757-L1764 HydrophobicContact CG2-CD1 4.25Å; L1764-I1766 HydrophobicContact CD1-CD1 3.91Å; L1764-I1766 HydrophobicContact CD1-CG1 3.79Å; L1764-I1766 HydrophobicContact CD2-CD1 3.83Å; L1764-I1766 HydrophobicContact CD2-CG1 4.36Å; L1764-I1766 HydrophobicContact CG-CD1 4Å; L1764-I1766 HydrophobicContact CG-CG1 4Å; L1764-E1800 PolarHBondContact N-O 3.07Å; L1764-I1801 HydrophobicContact CB-CG1 4.3Å; L1764-I1801 HydrophobicContact CD2-CG1 4.32Å; L1764-I1801 HydrophobicContact CD2-CG2 4.16Å; L1764-I1801 WeakPolarHBondContact O-CA 3.43Å; L1764-F1802 PolarHBondContact O-N 3.13Å
1765	N	95.8	Very high	92.4	Very high	29.4 Å²	29.4	24.8 Å²	24.8	16%	0.157	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.6	173.5	-147.5	22.3	0	0	0	110	I1740 S1741 L1742 E1767 F1802	I1740-N1765 PolarHBondContact O-N 3.04Å; S1741-N1765 CarbonylContact C-O 3.52Å; S1741-N1765 VanDerWaalsContact CA-O 3.3Å; S1741-N1765 WeakPolarHBondContact CA-O 3.32Å; L1742-N1765 PolarHBondContact N-O 3.07Å; N1765-E1767 VanDerWaalsContact CG-OE1 3.25Å; N1765-E1767 VanDerWaalsContact ND2-CD 3.33Å; N1765-E1767 PolarHBondContact ND2-OE1 2.84Å; N1765-E1767 PolarHBondContact ND2-OE2 3.06Å; N1765-E1767 WeakPolarHBondContact OD1-CG 3.37Å; N1765-E1767 PolarHBondContact OD1-OE1 2.94Å; N1765-E1767 PolarHBondContact OD1-OE2 3.32Å; N1765-F1802 VanDerWaalsContact OD1-CB 3.29Å; N1765-F1802 WeakPolarHBondContact OD1-CB 3.35Å; N1765-F1802 WeakPolarHBondContact OD1-CD2 3.44Å
1766	I	97.1	Very high	92	Very high	0.4 Å²	0.4	24.8 Å²	24.8	0%	0.002	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	100.6	177.7	-59.3	177.6	0	0	0	106.8	L1742 L1755 L1764 N1769 F1802 L1803 S1804 N1806	L1742-I1766 HydrophobicContact CB-CG1 4.3Å; L1742-I1766 HydrophobicContact CB-CG2 4.35Å; L1742-I1766 HydrophobicContact CD1-CD1 4.29Å; L1742-I1766 HydrophobicContact CD1-CG1 4.12Å; L1742-I1766 HydrophobicContact CG-CG1 4.37Å; L1742-I1766 WeakPolarHBondContact O-CA 3.36Å; L1755-I1766 HydrophobicContact CD2-CD1 3.96Å; L1764-I1766 HydrophobicContact CD1-CD1 3.91Å; L1764-I1766 HydrophobicContact CD1-CG1 3.79Å; L1764-I1766 HydrophobicContact CD2-CD1 3.83Å; L1764-I1766 HydrophobicContact CD2-CG1 4.36Å; L1764-I1766 HydrophobicContact CG-CD1 4Å; L1764-I1766 HydrophobicContact CG-CG1 4Å; I1766-N1769 VanDerWaalsContact CG2-ND2 3.32Å; I1766-N1769 WeakPolarHBondContact CG2-ND2 3.35Å; I1766-F1802 PolarHBondContact N-O 3.22Å; I1766-L1803 HydrophobicContact CB-CD2 3.78Å; I1766-L1803 HydrophobicContact CD1-CD2 3.95Å; I1766-L1803 HydrophobicContact CG1-CD2 4.32Å; I1766-L1803 HydrophobicContact CG2-CD2 4.09Å; I1766-L1803 WeakPolarHBondContact O-CA 3.29Å; I1766-S1804 PolarHBondContact O-N 3.1Å; I1766-N1806 PolarHBondContact O-ND2 3.06Å
1767	E	97.1	Very high	91.3	Very high	57 Å²	57	25.5 Å²	25.5	27%	0.266	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140.9	-173.3	-43.9	-174.1	135.4	0	0	113.8	L1742 L1743 R1744 N1765 N1769 S1804	L1742-E1767 PolarHBondContact O-N 3.2Å; L1743-E1767 CarbonylContact C-O 3.47Å; L1743-E1767 VanDerWaalsContact CA-O 3.31Å; L1743-E1767 WeakPolarHBondContact CA-O 3.4Å; L1743-E1767 HydrophobicContact CD2-CB 3.64Å; L1743-E1767 HydrophobicContact CD2-CG 3.8Å; R1744-E1767 PolarHBondContact N-O 3.04Å; N1765-E1767 VanDerWaalsContact CG-OE1 3.25Å; N1765-E1767 VanDerWaalsContact ND2-CD 3.33Å; N1765-E1767 PolarHBondContact ND2-OE1 2.84Å; N1765-E1767 PolarHBondContact ND2-OE2 3.06Å; N1765-E1767 WeakPolarHBondContact OD1-CG 3.37Å; N1765-E1767 PolarHBondContact OD1-OE1 2.94Å; N1765-E1767 PolarHBondContact OD1-OE2 3.32Å; E1767-N1769 PolarHBondContact N-ND2 2.93Å; E1767-N1769 VanDerWaalsContact N-ND2 3.16Å; E1767-N1769 PolarHBondContact O-N 3.05Å; E1767-N1769 VanDerWaalsContact O-N 3.12Å; E1767-N1769 PolarHBondContact O-ND2 3.03Å; E1767-N1769 VanDerWaalsContact O-ND2 3.08Å; E1767-S1804 CarbonylContact C-O 3.57Å; E1767-S1804 WeakPolarHBondContact CA-O 3.35Å; E1767-S1804 WeakPolarHBondContact CB-OG 3.23Å; E1767-S1804 VanDerWaalsContact CD-OG 3.23Å; E1767-S1804 WeakPolarHBondContact CG-OG 3.38Å; E1767-S1804 PolarHBondContact OE1-OG 3.32Å
1768	N	97.3	Very high	89.9	Confident	71.2 Å²	71.2	27.7 Å²	27.7	38%	0.381	14%	0.138	S	C	.	.	S	Bend	trans	56.8	26.3	173.8	-74.3	-53.7	0	0	0	114.4	R1744 S1804 E1805 N1806	R1744-N1768 VanDerWaalsContact CA-O 3.26Å; R1744-N1768 WeakPolarHBondContact CA-O 3.2Å; R1744-N1768 HydrophobicContact CG-CB 3.85Å; N1768-S1804 PolarHBondContact N-O 3.07Å; N1768-E1805 VanDerWaalsContact CA-O 3.29Å; N1768-E1805 WeakPolarHBondContact CA-O 3.29Å; N1768-E1805 PolarHBondContact ND2-OE2 2.83Å; N1768-E1805 VanDerWaalsContact OD1-CB 3.28Å; N1768-E1805 WeakPolarHBondContact OD1-CB 3.22Å; N1768-E1805 PolarHBondContact OD1-OE2 2.94Å; N1768-N1806 PolarHBondContact N-OD1 3.22Å
1769	N	97.9	Very high	88.3	Confident	1.2 Å²	1.2	30.4 Å²	30.4	1%	0.006	15%	0.153	C	C	.	.			trans	-90.1	153.5	178.1	-53.7	-83.5	0	0	0	111.7	L1742 R1744 N1745 F1747 I1766 E1767 F1771 N1806 H1807	L1742-N1769 PolarHBondContact O-ND2 3.22Å; L1742-N1769 PolarHBondContact O-OD1 2.83Å; R1744-N1769 PolarHBondContact N-OD1 3.18Å; N1745-N1769 VanDerWaalsContact CB-OD1 3.3Å; N1745-N1769 WeakPolarHBondContact CB-OD1 3.29Å; N1745-N1769 PolarHBondContact N-OD1 3.25Å; N1745-N1769 PolarHBondContact ND2-OD1 2.97Å; N1745-N1769 CarbonylContact O-C 3.46Å; N1745-N1769 VanDerWaalsContact O-CA 3.29Å; N1745-N1769 WeakPolarHBondContact O-CA 3.33Å; F1747-N1769 HydrophobicContact CE2-CB 4.41Å; I1766-N1769 VanDerWaalsContact CG2-ND2 3.32Å; I1766-N1769 WeakPolarHBondContact CG2-ND2 3.35Å; E1767-N1769 PolarHBondContact N-ND2 2.93Å; E1767-N1769 VanDerWaalsContact N-ND2 3.16Å; E1767-N1769 PolarHBondContact O-N 3.05Å; E1767-N1769 VanDerWaalsContact O-N 3.12Å; E1767-N1769 PolarHBondContact O-ND2 3.03Å; E1767-N1769 VanDerWaalsContact O-ND2 3.08Å; N1769-F1771 HydrophobicContact CB-CD2 4.48Å; N1769-F1771 HydrophobicContact CB-CE2 3.87Å; N1769-F1771 HydrophobicContact CB-CZ 4.47Å; N1769-N1806 VanDerWaalsContact CB-OD1 3.3Å; N1769-N1806 WeakPolarHBondContact CB-OD1 3.4Å; N1769-N1806 PolarHBondContact N-OD1 3.04Å; N1769-N1806 PolarHBondContact ND2-OD1 2.96Å; N1769-N1806 CarbonylContact O-C 3.54Å; N1769-N1806 VanDerWaalsContact O-CA 3.28Å; N1769-N1806 WeakPolarHBondContact O-CA 3.25Å; N1769-H1807 PolarHBondContact O-N 3.12Å
1770	Q	97.5	Very high	86.6	Confident	58.6 Å²	58.6	33.6 Å²	33.6	27%	0.274	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.8	175.8	-177.7	-179.4	-28.5	0	0	110.3	N1745 F1747 N1748 L1772 H1807	N1745-Q1770 PolarHBondContact O-N 3.21Å; F1747-Q1770 PolarHBondContact N-O 3.01Å; N1748-Q1770 PolarHBondContact OD1-NE2 2.83Å; Q1770-L1772 HydrophobicContact CG-CB 4.35Å; Q1770-H1807 CarbonylContact C-O 3.58Å; Q1770-H1807 HydrophobicContact CG-CB 4.44Å
1771	F	97.3	Very high	84.7	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	101.8	172.9	-62.2	-95.7	0	0	0	108.8	F1747 F1753 L1755 N1769 L1791 I1792 H1807 F1808 L1809 N1811	F1747-F1771 HydrophobicContact CB-CD1 3.74Å; F1747-F1771 HydrophobicContact CB-CE1 4.18Å; F1747-F1771 HydrophobicContact CB-CG 4.4Å; F1747-F1771 HydrophobicContact CD1-CE1 4.45Å; F1747-F1771 AromaticContact CD2-CD1 3.58Å; F1747-F1771 HydrophobicContact CD2-CD1 3.58Å; F1747-F1771 HydrophobicContact CD2-CD2 4.41Å; F1747-F1771 AromaticContact CD2-CE1 3.27Å; F1747-F1771 HydrophobicContact CD2-CE1 3.27Å; F1747-F1771 HydrophobicContact CD2-CE2 4.16Å; F1747-F1771 HydrophobicContact CD2-CG 4.15Å; F1747-F1771 AromaticContact CD2-CZ 3.6Å; F1747-F1771 HydrophobicContact CD2-CZ 3.6Å; F1747-F1771 HydrophobicContact CE2-CD1 4.41Å; F1747-F1771 AromaticContact CE2-CE1 3.67Å; F1747-F1771 HydrophobicContact CE2-CE1 3.67Å; F1747-F1771 HydrophobicContact CE2-CE2 4.35Å; F1747-F1771 AromaticContact CE2-CZ 3.63Å; F1747-F1771 HydrophobicContact CE2-CZ 3.63Å; F1747-F1771 AromaticContact CG-CD1 3.82Å; F1747-F1771 HydrophobicContact CG-CD1 3.82Å; F1747-F1771 AromaticContact CG-CE1 3.73Å; F1747-F1771 HydrophobicContact CG-CE1 3.73Å; F1747-F1771 HydrophobicContact CG-CZ 4.46Å; F1747-F1771 HydrophobicContact CZ-CE1 4.41Å; F1747-F1771 HydrophobicContact CZ-CZ 4.49Å; F1747-F1771 WeakPolarHBondContact O-CA 3.23Å; F1753-F1771 HydrophobicContact CE1-CD1 4.17Å; F1753-F1771 AromaticContact CE1-CE1 3.96Å; F1753-F1771 HydrophobicContact CE1-CE1 4.07Å; F1753-F1771 HydrophobicContact CZ-CE1 4.43Å; L1755-F1771 HydrophobicContact CD2-CZ 4.43Å; N1769-F1771 HydrophobicContact CB-CD2 4.48Å; N1769-F1771 HydrophobicContact CB-CE2 3.87Å; N1769-F1771 HydrophobicContact CB-CZ 4.47Å; F1771-L1791 HydrophobicContact CB-CD2 3.91Å; F1771-L1791 HydrophobicContact CD1-CD1 4.4Å; F1771-L1791 HydrophobicContact CD1-CD2 4.02Å; F1771-L1791 HydrophobicContact CD1-CG 4.34Å; F1771-L1791 HydrophobicContact CG-CD2 4.04Å; F1771-I1792 HydrophobicContact CE2-CD1 4.23Å; F1771-I1792 HydrophobicContact CZ-CD1 4.04Å; F1771-H1807 PolarHBondContact N-O 2.88Å; F1771-F1808 HydrophobicContact CB-CD1 3.85Å; F1771-F1808 HydrophobicContact CB-CE1 4.34Å; F1771-F1808 AromaticContact CD2-CD1 3.59Å; F1771-F1808 HydrophobicContact CD2-CD1 3.59Å; F1771-F1808 AromaticContact CD2-CE1 3.25Å; F1771-F1808 HydrophobicContact CD2-CE1 3.25Å; F1771-F1808 HydrophobicContact CD2-CG 4.49Å; F1771-F1808 AromaticContact CD2-CZ 3.95Å; F1771-F1808 HydrophobicContact CD2-CZ 3.95Å; F1771-F1808 HydrophobicContact CE2-CD1 4.34Å; F1771-F1808 AromaticContact CE2-CE1 3.55Å; F1771-F1808 HydrophobicContact CE2-CE1 3.55Å; F1771-F1808 AromaticContact CE2-CZ 3.97Å; F1771-F1808 HydrophobicContact CE2-CZ 3.97Å; F1771-F1808 AromaticContact CG-CD1 3.86Å; F1771-F1808 HydrophobicContact CG-CD1 3.86Å; F1771-F1808 AromaticContact CG-CE1 3.84Å; F1771-F1808 HydrophobicContact CG-CE1 3.84Å; F1771-F1808 HydrophobicContact CZ-CE1 4.33Å; F1771-L1809 PolarHBondContact O-N 2.94Å; F1771-N1811 PolarHBondContact O-ND2 2.94Å
1772	L	96.6	Very high	82.6	Confident	22.6 Å²	22.6	46.4 Å²	46.4	12%	0.118	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.1	-173	-179.2	67.9	0	0	0	111.9	F1747 N1748 F1749 Q1770 N1774 L1809	F1747-L1772 PolarHBondContact O-N 3.07Å; N1748-L1772 VanDerWaalsContact CA-O 3.32Å; N1748-L1772 WeakPolarHBondContact CA-O 3.21Å; N1748-L1772 WeakPolarHBondContact OD1-CB 3.21Å; F1749-L1772 HydrophobicContact CZ-CD2 4.49Å; F1749-L1772 PolarHBondContact N-O 2.9Å; Q1770-L1772 HydrophobicContact CG-CB 4.35Å; L1772-N1774 PolarHBondContact N-ND2 2.96Å; L1772-N1774 PolarHBondContact O-N 3.16Å; L1772-N1774 VanDerWaalsContact O-N 3.09Å; L1772-N1774 PolarHBondContact O-ND2 2.89Å; L1772-L1809 WeakPolarHBondContact CA-O 3.14Å; L1772-L1809 HydrophobicContact CD1-CB 3.72Å; L1772-L1809 HydrophobicContact CD1-CD1 4.39Å
1773	E	94.8	Very high	80.3	Confident	41.4 Å²	41.4	52.4 Å²	52.4	19%	0.193	25%	0.254	C	S	.	.	S	Bend	trans	53.2	31.7	171.6	-65.2	-169.3	-144.6	0	0	115	F1749 Y1775 L1809 R1810	F1749-E1773 WeakPolarHBondContact CA-O 3.38Å; F1749-E1773 HydrophobicContact CD1-CB 3.73Å; F1749-E1773 HydrophobicContact CE1-CB 3.81Å; F1749-E1773 HydrophobicContact CE1-CG 4.23Å; F1749-E1773 VanDerWaalsContact CE1-OE2 3.29Å; F1749-E1773 WeakPolarHBondContact CE1-OE2 3.29Å; E1773-Y1775 WeakPolarHBondContact O-CD2 2.97Å; E1773-L1809 PolarHBondContact N-O 3.12Å; E1773-L1809 VanDerWaalsContact N-O 3.1Å; E1773-R1810 WeakPolarHBondContact CA-O 3.27Å; E1773-R1810 HydrophobicContact CG-CB 3.89Å; E1773-R1810 IonicContact OE1-CZ 3.13Å; E1773-R1810 VanDerWaalsContact OE1-CZ 3.23Å; E1773-R1810 IonicContact OE1-NE 3.19Å; E1773-R1810 PolarHBondContact OE1-NE 2.79Å; E1773-R1810 IonicContact OE1-NH1 2.9Å; E1773-R1810 PolarHBondContact OE1-NH1 3.05Å; E1773-R1810 IonicContact OE1-NH2 3.79Å; E1773-R1810 PolarHBondContact OE1-NH2 3.13Å; E1773-R1810 VanDerWaalsContact OE1-NH2 3.11Å
1774	N	92.9	Very high	77.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.269	C	S	.	.			trans	-78.2	145.7	172.6	-54.8	-75.7	0	0	0	110.2	F1747 N1750 F1753 L1772 L1791 N1811 K1812	F1747-N1774 PolarHBondContact O-ND2 2.93Å; F1747-N1774 PolarHBondContact O-OD1 3.02Å; N1750-N1774 WeakPolarHBondContact CB-OD1 3.37Å; N1750-N1774 PolarHBondContact N-OD1 2.9Å; N1750-N1774 VanDerWaalsContact N-OD1 3.12Å; N1750-N1774 PolarHBondContact ND2-OD1 3.17Å; N1750-N1774 CarbonylContact O-C 3.52Å; N1750-N1774 WeakPolarHBondContact O-CA 3.41Å; F1753-N1774 HydrophobicContact CB-CB 4.32Å; F1753-N1774 HydrophobicContact CD1-CB 4.39Å; F1753-N1774 HydrophobicContact CG-CB 4.5Å; L1772-N1774 PolarHBondContact N-ND2 2.96Å; L1772-N1774 PolarHBondContact O-N 3.16Å; L1772-N1774 VanDerWaalsContact O-N 3.09Å; L1772-N1774 PolarHBondContact O-ND2 2.89Å; N1774-L1791 HydrophobicContact CB-CD1 4.14Å; N1774-N1811 VanDerWaalsContact CB-OD1 3.31Å; N1774-N1811 WeakPolarHBondContact CB-OD1 3.38Å; N1774-N1811 PolarHBondContact N-OD1 3.22Å; N1774-N1811 VanDerWaalsContact N-OD1 3.09Å; N1774-N1811 PolarHBondContact ND2-OD1 3.01Å; N1774-N1811 CarbonylContact O-C 3.56Å; N1774-N1811 VanDerWaalsContact O-CA 3.29Å; N1774-N1811 WeakPolarHBondContact O-CA 3.23Å; N1774-N1811 WeakPolarHBondContact O-CB 3.4Å; N1774-K1812 PolarHBondContact O-N 3.02Å
1775	Y	89.1	Confident	75.5	Confident	62.4 Å²	62.4	59.2 Å²	59.2	25%	0.245	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-104.2	117.7	176.8	-104.5	-102.4	0	0	0	109.2	N1750 K1751 N1752 F1753 E1773 Q1777 K1812 N1813	N1750-Y1775 PolarHBondContact O-N 2.97Å; K1751-Y1775 CarbonylContact C-O 3.5Å; K1751-Y1775 HydrophobicContact CD-CD2 3.84Å; K1751-Y1775 HydrophobicContact CD-CG 4.02Å; N1752-Y1775 CarbonylContact C-O 3.55Å; N1752-Y1775 VanDerWaalsContact CA-O 3.28Å; N1752-Y1775 WeakPolarHBondContact CA-O 3.29Å; N1752-Y1775 PolarHBondContact N-O 3.17Å; F1753-Y1775 PolarHBondContact N-O 3.22Å; F1753-Y1775 VanDerWaalsContact N-O 3.09Å; E1773-Y1775 WeakPolarHBondContact O-CD2 2.97Å; Y1775-Q1777 HydrophobicContact CD1-CB 4.39Å; Y1775-Q1777 VanDerWaalsContact CD1-O 3.28Å; Y1775-Q1777 WeakPolarHBondContact CD1-O 3.43Å; Y1775-Q1777 HydrophobicContact CE1-CB 4.07Å; Y1775-Q1777 WeakPolarHBondContact CE1-O 3.32Å; Y1775-K1812 CarbonylContact C-O 3.57Å; Y1775-K1812 WeakPolarHBondContact CA-O 3.33Å; Y1775-K1812 HydrophobicContact CD1-CB 3.93Å; Y1775-K1812 HydrophobicContact CD1-CD 4.42Å; Y1775-K1812 HydrophobicContact CD2-CB 4.01Å; Y1775-K1812 HydrophobicContact CE1-CB 3.89Å; Y1775-K1812 HydrophobicContact CE1-CD 3.83Å; Y1775-K1812 HydrophobicContact CE1-CG 4.4Å; Y1775-K1812 HydrophobicContact CE2-CD 4.27Å; Y1775-K1812 HydrophobicContact CG-CB 4.4Å; Y1775-K1812 WeakPolarHBondContact OH-CD 3.19Å; Y1775-K1812 PolarHBondContact OH-NZ 2.92Å; Y1775-N1813 HydrophobicContact CD2-CB 4.11Å; Y1775-N1813 HydrophobicContact CE2-CB 3.51Å; Y1775-N1813 PolarHBondContact OH-ND2 3.28Å
1776	C	85.5	Confident	73.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-75	-31.9	177.4	-65.7	0	0	0	0	111.4	N1752 H1754 G1790 L1791 K1812 N1813 C1814	N1752-C1776 CarbonylContact C-O 3.26Å; N1752-C1776 WeakPolarHBondContact CA-O 3.26Å; N1752-C1776 PolarHBondContact OD1-O 3.01Å; H1754-C1776 PolarHBondContact CE1-O 2.96Å; H1754-C1776 PolarHBondContact NE2-O 3.12Å; H1754-C1776 VanDerWaalsContact NE2-O 3.09Å; C1776-G1790 VanDerWaalsContact SG-C 3.58Å; C1776-L1791 PolarHBondContact SG-N 3.35Å; C1776-K1812 PolarHBondContact N-O 3.16Å; C1776-N1813 WeakPolarHBondContact CB-O 3.33Å; C1776-N1813 WeakPolarHBondContact O-CB 3.36Å; C1776-N1813 PolarHBondContact O-ND2 3.16Å; C1776-C1814 HydrophobicContact CB-CB 3.76Å; C1776-C1814 WeakPolarHBondContact CB-SG 3.36Å; C1776-C1814 WeakPolarHBondContact SG-CB 3.28Å; C1776-C1814 CovalentContact SG-SG 2.05Å; C1776-C1814 PolarHBondContact SG-SG 3.09Å
1777	Q	74.9	Confident	70.9	Confident	29.8 Å²	29.8	64 Å²	64	14%	0.139	31%	0.311	C	S	.	.			trans	-128.3	129	177.9	-167.1	177.7	14.2	0	0	111.3	N1690 N1752 Y1775 Q1785 I1786 N1789 N1813 N1849	N1690-Q1777 VanDerWaalsContact CB-NE2 3.34Å; N1690-Q1777 PolarHBondContact ND2-NE2 3.01Å; N1752-Q1777 HydrophobicContact CB-CB 3.88Å; N1752-Q1777 WeakPolarHBondContact OD1-CB 3.36Å; N1752-Q1777 PolarHBondContact OD1-N 3.12Å; Y1775-Q1777 HydrophobicContact CD1-CB 4.39Å; Y1775-Q1777 VanDerWaalsContact CD1-O 3.28Å; Y1775-Q1777 WeakPolarHBondContact CD1-O 3.43Å; Y1775-Q1777 HydrophobicContact CE1-CB 4.07Å; Y1775-Q1777 WeakPolarHBondContact CE1-O 3.32Å; Q1777-Q1785 PolarHBondContact NE2-O 2.98Å; Q1777-I1786 PolarHBondContact NE2-O 2.83Å; Q1777-N1789 PolarHBondContact O-ND2 3.45Å; Q1777-N1813 HydrophobicContact CB-CB 4.25Å; Q1777-N1813 PolarHBondContact N-O 3.37Å; Q1777-N1813 WeakPolarHBondContact O-CB 3.35Å; Q1777-N1813 PolarHBondContact O-ND2 3.03Å; Q1777-N1813 VanDerWaalsContact O-ND2 3.08Å; Q1777-N1849 PolarHBondContact OE1-ND2 3.12Å
1778	N	61.2	Low	69.1	Low	47.2 Å²	47.2	64.7 Å²	64.7	25%	0.252	31%	0.314	S	S	.	.			trans	-87	126.8	170.8	-112.5	-1.2	0	0	0	109.7	N1752 L1780 N1789 S1815 R1853	N1752-N1778 HydrophobicContact CB-CB 4.49Å; N1752-N1778 PolarHBondContact ND2-ND2 3.33Å; N1752-N1778 WeakPolarHBondContact OD1-CA 3.26Å; N1752-N1778 WeakPolarHBondContact OD1-CB 3.28Å; N1752-N1778 PolarHBondContact OD1-N 3.07Å; N1778-L1780 PolarHBondContact O-N 2.97Å; N1778-N1789 WeakPolarHBondContact OD1-CB 3.07Å; N1778-S1815 PolarHBondContact ND2-OG 3.28Å; N1778-R1853 PolarHBondContact ND2-NH2 2.91Å
1779	I	52.1	Low	67.9	Low	83.6 Å²	83.6	62.2 Å²	62.2	43%	0.429	30%	0.301	S	S	.	.			trans	-73.6	89.4	-178.4	-58	160.7	0	0	0	108.7	F1712 H1713 F1781 N1813	F1712-I1779 HydrophobicContact CB-CD1 3.23Å; F1712-I1779 HydrophobicContact CB-CG1 3.67Å; F1712-I1779 HydrophobicContact CB-CG2 4.33Å; F1712-I1779 HydrophobicContact CD1-CG2 4.3Å; F1712-I1779 HydrophobicContact CG-CD1 4.21Å; F1712-I1779 HydrophobicContact CG-CG1 4.42Å; F1712-I1779 HydrophobicContact CG-CG2 4.21Å; H1713-I1779 VanDerWaalsContact CE1-CD1 3.49Å; H1713-I1779 WeakPolarHBondContact CE1-CD1 3.39Å; I1779-F1781 VanDerWaalsContact C-N 3.31Å; I1779-F1781 HydrophobicContact CB-CD2 4.45Å; I1779-F1781 HydrophobicContact CG2-CD2 3.45Å; I1779-F1781 VanDerWaalsContact CG2-CD2 3.45Å; I1779-F1781 HydrophobicContact CG2-CE2 3.54Å; I1779-F1781 HydrophobicContact CG2-CG 4.28Å; I1779-F1781 HydrophobicContact CG2-CZ 4.43Å; I1779-F1781 PolarHBondContact O-N 3.04Å; I1779-N1813 VanDerWaalsContact CG1-ND2 3.33Å; I1779-N1813 WeakPolarHBondContact CG1-ND2 3.45Å
1780	L	47.9	Very low	67.3	Low	87.2 Å²	87.2	62.2 Å²	62.2	46%	0.457	30%	0.301	S	S	.	.			trans	-79.2	105.1	168.6	-79.4	155.1	0	0	0	109.1	I1689 N1778 D1782 E1783 Q1785	I1689-L1780 HydrophobicContact CD1-CD1 4.12Å; N1778-L1780 PolarHBondContact O-N 2.97Å; L1780-D1782 VanDerWaalsContact C-N 3.35Å; L1780-D1782 PolarHBondContact O-N 2.82Å; L1780-D1782 VanDerWaalsContact O-N 3.11Å; L1780-E1783 PolarHBondContact O-N 3.48Å; L1780-Q1785 HydrophobicContact CD2-CB 3.66Å; L1780-Q1785 HydrophobicContact CD2-CG 4.09Å; L1780-Q1785 HydrophobicContact CG-CB 4.13Å; L1780-Q1785 HydrophobicContact CG-CG 4.06Å
1781	F	43.3	Very low	67	Low	152.2 Å²	152.2	59.4 Å²	59.4	67%	0.668	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	25.5	-175.7	-83.8	-84.2	0	0	0	114	I1689 F1712 I1779 E1783 K1784 Y2188	I1689-F1781 HydrophobicContact CD1-CE2 4.03Å; I1689-F1781 HydrophobicContact CD1-CZ 4.27Å; F1712-F1781 AromaticContact CD2-CE2 3.88Å; F1712-F1781 HydrophobicContact CD2-CE2 3.88Å; F1712-F1781 AromaticContact CD2-CZ 3.53Å; F1712-F1781 HydrophobicContact CD2-CZ 3.53Å; F1712-F1781 HydrophobicContact CE1-CE1 4.42Å; F1712-F1781 HydrophobicContact CE1-CZ 4.21Å; F1712-F1781 AromaticContact CE2-CE1 3.78Å; F1712-F1781 HydrophobicContact CE2-CE1 3.78Å; F1712-F1781 AromaticContact CE2-CE2 3.91Å; F1712-F1781 HydrophobicContact CE2-CE2 3.91Å; F1712-F1781 AromaticContact CE2-CZ 3.07Å; F1712-F1781 HydrophobicContact CE2-CZ 3.07Å; F1712-F1781 HydrophobicContact CG-CE2 4.48Å; F1712-F1781 HydrophobicContact CG-CZ 4.34Å; F1712-F1781 AromaticContact CZ-CE1 3.66Å; F1712-F1781 HydrophobicContact CZ-CE1 3.66Å; F1712-F1781 HydrophobicContact CZ-CE2 4.38Å; F1712-F1781 AromaticContact CZ-CZ 3.42Å; F1712-F1781 HydrophobicContact CZ-CZ 3.42Å; F1712-F1781 VanDerWaalsContact CZ-CZ 3.42Å; I1779-F1781 VanDerWaalsContact C-N 3.31Å; I1779-F1781 HydrophobicContact CB-CD2 4.45Å; I1779-F1781 HydrophobicContact CG2-CD2 3.45Å; I1779-F1781 VanDerWaalsContact CG2-CD2 3.45Å; I1779-F1781 HydrophobicContact CG2-CE2 3.54Å; I1779-F1781 HydrophobicContact CG2-CG 4.28Å; I1779-F1781 HydrophobicContact CG2-CZ 4.43Å; I1779-F1781 PolarHBondContact O-N 3.04Å; F1781-E1783 VanDerWaalsContact C-N 3.29Å; F1781-E1783 PolarHBondContact O-N 2.87Å; F1781-K1784 PolarHBondContact N-O 3.1Å; F1781-K1784 CarbonylContact O-C 3.57Å; F1781-K1784 PolarHBondContact O-N 2.81Å; F1781-Y2188 VanDerWaalsContact C-OH 3.32Å; F1781-Y2188 HydrophobicContact CB-CD1 4.34Å; F1781-Y2188 HydrophobicContact CB-CE1 3.43Å; F1781-Y2188 VanDerWaalsContact CB-CE1 3.43Å; F1781-Y2188 HydrophobicContact CB-CE2 4.45Å; F1781-Y2188 VanDerWaalsContact CB-CZ 3.49Å; F1781-Y2188 VanDerWaalsContact CB-OH 3.31Å; F1781-Y2188 WeakPolarHBondContact CB-OH 3.3Å; F1781-Y2188 HydrophobicContact CD1-CE1 4.05Å; F1781-Y2188 HydrophobicContact CD2-CE1 4.49Å; F1781-Y2188 HydrophobicContact CG-CD1 4.49Å; F1781-Y2188 AromaticContact CG-CE1 3.81Å; F1781-Y2188 HydrophobicContact CG-CE1 3.81Å; F1781-Y2188 PolarHBondContact O-OH 3.09Å; F1781-Y2188 VanDerWaalsContact O-OH 3.05Å
1782	D	40.1	Very low	66.8	Low	148.6 Å²	148.6	59.6 Å²	59.6	80%	0.795	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	21.2	-174.8	-92.3	-24.4	0	0	0	115.1	L1780 K1784 K2185 Y2188	L1780-D1782 VanDerWaalsContact C-N 3.35Å; L1780-D1782 PolarHBondContact O-N 2.82Å; L1780-D1782 VanDerWaalsContact O-N 3.11Å; D1782-K1784 PolarHBondContact O-N 3.08Å; D1782-K2185 IonicContact OD2-NZ 3.14Å; D1782-K2185 PolarHBondContact OD2-NZ 3.29Å; D1782-Y2188 WeakPolarHBondContact CB-OH 3.47Å
1783	E	40.8	Very low	66.6	Low	128.8 Å²	128.8	59.5 Å²	59.5	60%	0.602	29%	0.288	S	S	*	.			trans	-131	94.3	174.1	-73.1	-166.4	170.5	0	0	112.7	K1710 L1780 F1781 Q1785	K1710-E1783 IonicContact NZ-OE1 2.67Å; K1710-E1783 PolarHBondContact NZ-OE1 3.05Å; K1710-E1783 IonicContact NZ-OE2 3.72Å; K1710-E1783 PolarHBondContact NZ-OE2 2.92Å; L1780-E1783 PolarHBondContact O-N 3.48Å; F1781-E1783 VanDerWaalsContact C-N 3.29Å; F1781-E1783 PolarHBondContact O-N 2.87Å; E1783-Q1785 HydrophobicContact CB-CG 4.06Å; E1783-Q1785 PolarHBondContact O-N 3.13Å; E1783-Q1785 VanDerWaalsContact O-N 3.12Å; E1783-Q1785 PolarHBondContact OE1-NE2 3.19Å; E1783-Q1785 PolarHBondContact OE2-NE2 3.19Å
1784	K	42.8	Very low	66.4	Low	149.6 Å²	149.6	57.6 Å²	57.6	65%	0.65	28%	0.279	S	S	*	.			trans	-62.1	65.6	170.2	-66.7	-178.7	179.9	176.4	0	112.9	F1781 D1782 I1786 N2142 S2184	F1781-K1784 PolarHBondContact N-O 3.1Å; F1781-K1784 CarbonylContact O-C 3.57Å; F1781-K1784 PolarHBondContact O-N 2.81Å; D1782-K1784 PolarHBondContact O-N 3.08Å; K1784-I1786 PolarHBondContact O-N 2.87Å; K1784-N2142 PolarHBondContact NZ-OD1 2.88Å; K1784-S2184 VanDerWaalsContact CB-OG 3.3Å; K1784-S2184 WeakPolarHBondContact CB-OG 3.41Å
1785	Q	43.6	Very low	66.1	Low	71.8 Å²	71.8	60.2 Å²	60.2	34%	0.336	29%	0.289	S	S	.	.			trans	-83.6	109.3	178.4	-87.7	-179.8	8.3	0	0	111.8	Q1777 L1780 E1783 T1787 N1849 Y2188	Q1777-Q1785 PolarHBondContact NE2-O 2.98Å; L1780-Q1785 HydrophobicContact CD2-CB 3.66Å; L1780-Q1785 HydrophobicContact CD2-CG 4.09Å; L1780-Q1785 HydrophobicContact CG-CB 4.13Å; L1780-Q1785 HydrophobicContact CG-CG 4.06Å; E1783-Q1785 HydrophobicContact CB-CG 4.06Å; E1783-Q1785 PolarHBondContact O-N 3.13Å; E1783-Q1785 VanDerWaalsContact O-N 3.12Å; E1783-Q1785 PolarHBondContact OE1-NE2 3.19Å; E1783-Q1785 PolarHBondContact OE2-NE2 3.19Å; Q1785-T1787 HydrophobicContact CB-CG2 4.29Å; Q1785-T1787 PolarHBondContact O-N 3.02Å; Q1785-N1849 PolarHBondContact NE2-O 2.8Å; Q1785-Y2188 PolarHBondContact NE2-OH 3.13Å
1786	I	45.5	Very low	65.8	Low	84.8 Å²	84.8	58 Å²	58	44%	0.435	29%	0.285	S	S	.	.			trans	-98.1	93.2	163.7	-51.9	163.4	0	0	0	107.8	F1712 Q1777 K1784 E1788 F2182 E2183	F1712-I1786 HydrophobicContact CD1-CD1 4.48Å; F1712-I1786 HydrophobicContact CE1-CD1 3.67Å; F1712-I1786 HydrophobicContact CE1-CG1 4.17Å; Q1777-I1786 PolarHBondContact NE2-O 2.83Å; K1784-I1786 PolarHBondContact O-N 2.87Å; I1786-E1788 PolarHBondContact O-N 3.01Å; I1786-F2182 VanDerWaalsContact CD1-O 3.25Å; I1786-F2182 WeakPolarHBondContact CD1-O 3.49Å; I1786-E2183 VanDerWaalsContact CD1-CA 3.5Å; I1786-E2183 HydrophobicContact CD1-CB 4.49Å
1787	T	50.9	Low	65.8	Low	45.2 Å²	45.2	59.3 Å²	59.3	28%	0.277	29%	0.292	S	S	.	.			trans	-97.4	107.3	169.8	47.6	0	0	0	0	109.3	F1712 Q1785 N1789	F1712-T1787 HydrophobicContact CE2-CG2 4.12Å; F1712-T1787 HydrophobicContact CZ-CG2 4.01Å; Q1785-T1787 HydrophobicContact CB-CG2 4.29Å; Q1785-T1787 PolarHBondContact O-N 3.02Å; T1787-N1789 VanDerWaalsContact C-N 3.29Å; T1787-N1789 VanDerWaalsContact CB-OD1 3.29Å; T1787-N1789 WeakPolarHBondContact CB-OD1 3.34Å; T1787-N1789 WeakPolarHBondContact O-CB 3.46Å; T1787-N1789 PolarHBondContact O-N 3.18Å; T1787-N1789 VanDerWaalsContact O-N 3.09Å; T1787-N1789 PolarHBondContact O-OD1 3.32Å; T1787-N1789 PolarHBondContact OG1-ND2 2.97Å; T1787-N1789 VanDerWaalsContact OG1-ND2 3.16Å; T1787-N1789 PolarHBondContact OG1-OD1 3.06Å
1788	E	59.2	Low	66.3	Low	72.4 Å²	72.4	59.2 Å²	59.2	34%	0.338	29%	0.292	S	S	.	.			trans	-76.7	75.9	179.3	-68.2	177.6	-178	0	0	111	I1786 Q1793 Y1816	I1786-E1788 PolarHBondContact O-N 3.01Å; E1788-Q1793 PolarHBondContact O-NE2 2.85Å; E1788-Y1816 HydrophobicContact CB-CE1 4.26Å; E1788-Y1816 WeakPolarHBondContact O-CE1 3.5Å; E1788-Y1816 PolarHBondContact O-OH 3.18Å
1789	N	72.2	Confident	67.6	Low	18.6 Å²	18.6	57.2 Å²	57.2	10%	0.099	28%	0.28	C	S	.	.			trans	-110.6	121.7	-171.3	-74.5	9.8	0	0	0	110.9	H1713 H1754 Q1777 N1778 T1787 S1815	H1713-N1789 PolarHBondContact CE1-ND2 3.05Å; H1713-N1789 PolarHBondContact CE1-OD1 2.87Å; H1713-N1789 VanDerWaalsContact CE1-OD1 3.23Å; H1713-N1789 PolarHBondContact ND1-ND2 2.94Å; H1713-N1789 PolarHBondContact ND1-OD1 3.13Å; H1754-N1789 WeakPolarHBondContact CE1-CB 3.45Å; H1754-N1789 PolarHBondContact NE2-ND2 3.16Å; Q1777-N1789 PolarHBondContact O-ND2 3.45Å; N1778-N1789 WeakPolarHBondContact OD1-CB 3.07Å; T1787-N1789 VanDerWaalsContact C-N 3.29Å; T1787-N1789 VanDerWaalsContact CB-OD1 3.29Å; T1787-N1789 WeakPolarHBondContact CB-OD1 3.34Å; T1787-N1789 WeakPolarHBondContact O-CB 3.46Å; T1787-N1789 PolarHBondContact O-N 3.18Å; T1787-N1789 VanDerWaalsContact O-N 3.09Å; T1787-N1789 PolarHBondContact O-OD1 3.32Å; T1787-N1789 PolarHBondContact OG1-ND2 2.97Å; T1787-N1789 VanDerWaalsContact OG1-ND2 3.16Å; T1787-N1789 PolarHBondContact OG1-OD1 3.06Å; N1789-S1815 PolarHBondContact N-OG 3.37Å; N1789-S1815 VanDerWaalsContact O-CB 3.26Å; N1789-S1815 WeakPolarHBondContact O-CB 3.26Å; N1789-S1815 PolarHBondContact O-N 3.12Å; N1789-S1815 VanDerWaalsContact O-N 3.15Å
1790	G	84.5	Confident	69.4	Low	1.6 Å²	1.6	55.1 Å²	55.1	2%	0.016	27%	0.269	C	S	.	.			trans	-126.9	-178.3	176.1	0	0	0	0	0	113.5	H1754 C1776 Y1816	H1754-G1790 PolarHBondContact ND1-O 2.82Å; C1776-G1790 VanDerWaalsContact SG-C 3.58Å; G1790-Y1816 CarbonylContact C-O 3.55Å; G1790-Y1816 VanDerWaalsContact CA-CE2 3.47Å; G1790-Y1816 WeakPolarHBondContact CA-O 3.29Å; G1790-Y1816 PolarHBondContact N-OH 2.8Å
1791	L	91.9	Very high	71.6	Confident	0.2 Å²	0.2	51 Å²	51	0%	0.001	25%	0.247	C	C	.	.	S	Bend	trans	-76	-52	-171.5	-174.6	75.3	0	0	0	112.6	F1753 L1755 F1771 N1774 C1776 F1808 Y1816 I1817	F1753-L1791 HydrophobicContact CD1-CD1 3.77Å; F1753-L1791 HydrophobicContact CE1-CD1 4.2Å; L1755-L1791 PolarHBondContact N-O 2.96Å; F1771-L1791 HydrophobicContact CB-CD2 3.91Å; F1771-L1791 HydrophobicContact CD1-CD1 4.4Å; F1771-L1791 HydrophobicContact CD1-CD2 4.02Å; F1771-L1791 HydrophobicContact CD1-CG 4.34Å; F1771-L1791 HydrophobicContact CG-CD2 4.04Å; N1774-L1791 HydrophobicContact CB-CD1 4.14Å; C1776-L1791 PolarHBondContact SG-N 3.35Å; L1791-F1808 HydrophobicContact CD2-CD1 3.57Å; L1791-F1808 VanDerWaalsContact CD2-CD1 3.49Å; L1791-F1808 HydrophobicContact CD2-CE1 3.96Å; L1791-Y1816 PolarHBondContact N-O 2.91Å; L1791-I1817 HydrophobicContact CB-CG2 4.4Å; L1791-I1817 WeakPolarHBondContact CB-O 3.32Å; L1791-I1817 HydrophobicContact CD2-CG2 3.97Å
1792	I	94.2	Very high	74.1	Confident	2.6 Å²	2.6	45.9 Å²	45.9	1%	0.013	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.7	175.6	-58.5	-171.5	0	0	0	109.4	L1755 F1771 F1808 Y1816 I1817 I1818 Q1819	L1755-I1792 HydrophobicContact CB-CG1 4.25Å; L1755-I1792 HydrophobicContact CD2-CD1 4.09Å; L1755-I1792 HydrophobicContact CD2-CG1 4.11Å; L1755-I1792 HydrophobicContact CD2-CG2 4.29Å; L1755-I1792 CarbonylContact O-C 3.51Å; L1755-I1792 WeakPolarHBondContact O-CA 3.33Å; F1771-I1792 HydrophobicContact CE2-CD1 4.23Å; F1771-I1792 HydrophobicContact CZ-CD1 4.04Å; I1792-F1808 HydrophobicContact CD1-CE1 3.51Å; I1792-F1808 VanDerWaalsContact CD1-CE1 3.46Å; I1792-F1808 HydrophobicContact CD1-CZ 3.62Å; I1792-F1808 HydrophobicContact CG1-CE1 4.21Å; I1792-Y1816 WeakPolarHBondContact O-CE2 3.48Å; I1792-I1817 PolarHBondContact N-O 3.08Å; I1792-I1818 HydrophobicContact CB-CG1 4.4Å; I1792-I1818 HydrophobicContact CB-CG2 4.43Å; I1792-I1818 HydrophobicContact CG2-CG2 4.42Å; I1792-I1818 CarbonylContact O-C 3.55Å; I1792-I1818 WeakPolarHBondContact O-CA 3.33Å; I1792-Q1819 PolarHBondContact O-N 3.19Å
1793	Q	91	Very high	76.8	Confident	20.8 Å²	20.8	38.9 Å²	38.9	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.2	177.8	-152.1	-179.2	20	0	0	110.7	L1755 Q1756 I1757 F1758 E1788 Y1795 Y1816 Q1819	L1755-Q1793 PolarHBondContact O-N 3.18Å; Q1756-Q1793 CarbonylContact C-O 3.51Å; Q1756-Q1793 WeakPolarHBondContact CA-O 3.41Å; Q1756-Q1793 HydrophobicContact CG-CB 4.39Å; I1757-Q1793 PolarHBondContact N-O 2.96Å; F1758-Q1793 HydrophobicContact CE1-CG 4.31Å; E1788-Q1793 PolarHBondContact O-NE2 2.85Å; Q1793-Y1795 HydrophobicContact CB-CD2 4.06Å; Q1793-Y1795 HydrophobicContact CB-CE2 3.95Å; Q1793-Y1795 HydrophobicContact CG-CD1 4.13Å; Q1793-Y1795 HydrophobicContact CG-CE2 4.1Å; Q1793-Y1816 HydrophobicContact CB-CE2 4.31Å; Q1793-Y1816 VanDerWaalsContact CD-OH 3.3Å; Q1793-Y1816 HydrophobicContact CG-CE2 4.17Å; Q1793-Y1816 WeakPolarHBondContact CG-OH 3.11Å; Q1793-Y1816 PolarHBondContact NE2-OH 3.03Å; Q1793-Y1816 VanDerWaalsContact NE2-OH 3.14Å; Q1793-Y1816 PolarHBondContact OE1-OH 3.27Å; Q1793-Q1819 CarbonylContact C-O 3.57Å; Q1793-Q1819 WeakPolarHBondContact CA-O 3.23Å; Q1793-Q1819 HydrophobicContact CG-CB 4.32Å
1794	S	91	Very high	79.4	Confident	1.6 Å²	1.6	33.2 Å²	33.2	1%	0.011	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.8	168.5	-176.8	0	0	0	0	109.2	I1757 R1799 Q1819 K1821	I1757-S1794 CarbonylContact O-C 3.57Å; I1757-S1794 VanDerWaalsContact O-CA 3.28Å; I1757-S1794 WeakPolarHBondContact O-CA 3.36Å; S1794-R1799 PolarHBondContact OG-NH1 3Å; S1794-Q1819 PolarHBondContact N-O 3.02Å; S1794-K1821 PolarHBondContact O-N 3.2Å
1795	Y	86.6	Confident	81.9	Confident	55.4 Å²	55.4	29.1 Å²	29.1	22%	0.217	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.6	-178.1	156.5	-101.5	0	0	0	112.6	I1757 F1758 G1759 Q1793 R1799 Y1816 Q1819 K1821 D1823 W2431 L2432	I1757-Y1795 PolarHBondContact O-N 3.16Å; F1758-Y1795 CarbonylContact C-O 3.52Å; F1758-Y1795 VanDerWaalsContact CA-O 3.27Å; F1758-Y1795 WeakPolarHBondContact CA-O 3.25Å; F1758-Y1795 HydrophobicContact CB-CD1 3.71Å; F1758-Y1795 HydrophobicContact CB-CD2 3.92Å; F1758-Y1795 HydrophobicContact CB-CE1 3.44Å; F1758-Y1795 VanDerWaalsContact CB-CE1 3.44Å; F1758-Y1795 HydrophobicContact CB-CE2 3.46Å; F1758-Y1795 HydrophobicContact CB-CG 3.83Å; F1758-Y1795 VanDerWaalsContact CD1-CB 3.42Å; F1758-Y1795 AromaticContact CD1-CD1 3.57Å; F1758-Y1795 HydrophobicContact CD1-CD1 3.57Å; F1758-Y1795 AromaticContact CD1-CD2 3.72Å; F1758-Y1795 HydrophobicContact CD1-CD2 3.72Å; F1758-Y1795 AromaticContact CD1-CE1 2.93Å; F1758-Y1795 HydrophobicContact CD1-CE1 3.5Å; F1758-Y1795 AromaticContact CD1-CE2 3.47Å; F1758-Y1795 HydrophobicContact CD1-CE2 3.47Å; F1758-Y1795 VanDerWaalsContact CD1-CE2 3.47Å; F1758-Y1795 AromaticContact CD1-CG 3.51Å; F1758-Y1795 HydrophobicContact CD1-CG 4.11Å; F1758-Y1795 AromaticContact CD1-CZ 3.44Å; F1758-Y1795 WeakPolarHBondContact CD1-OH 3.16Å; F1758-Y1795 HydrophobicContact CD2-CE1 4.04Å; F1758-Y1795 AromaticContact CD2-CE2 3.91Å; F1758-Y1795 HydrophobicContact CD2-CE2 4.12Å; F1758-Y1795 AromaticContact CD2-CZ 3.67Å; F1758-Y1795 WeakPolarHBondContact CD2-OH 3.26Å; F1758-Y1795 AromaticContact CE1-CD1 3.08Å; F1758-Y1795 HydrophobicContact CE1-CD1 3.7Å; F1758-Y1795 AromaticContact CE1-CD2 3.96Å; F1758-Y1795 HydrophobicContact CE1-CD2 4.21Å; F1758-Y1795 AromaticContact CE1-CE1 2.77Å; F1758-Y1795 HydrophobicContact CE1-CE1 2.77Å; F1758-Y1795 HydrophobicContact CE1-CE2 4.21Å; F1758-Y1795 AromaticContact CE1-CG 3.93Å; F1758-Y1795 HydrophobicContact CE1-CG 4.08Å; F1758-Y1795 AromaticContact CE1-CZ 3.35Å; F1758-Y1795 AromaticContact CE2-CE1 3.83Å; F1758-Y1795 HydrophobicContact CE2-CE1 3.83Å; F1758-Y1795 AromaticContact CE2-CZ 3.77Å; F1758-Y1795 WeakPolarHBondContact CE2-OH 3.37Å; F1758-Y1795 HydrophobicContact CG-CD1 4.17Å; F1758-Y1795 HydrophobicContact CG-CD2 4.18Å; F1758-Y1795 AromaticContact CG-CE1 3.72Å; F1758-Y1795 HydrophobicContact CG-CE1 3.72Å; F1758-Y1795 AromaticContact CG-CE2 3.65Å; F1758-Y1795 HydrophobicContact CG-CE2 3.65Å; F1758-Y1795 HydrophobicContact CG-CG 4.4Å; F1758-Y1795 AromaticContact CG-CZ 3.24Å; F1758-Y1795 VanDerWaalsContact CG-OH 3.27Å; F1758-Y1795 WeakPolarHBondContact CG-OH 3.45Å; F1758-Y1795 AromaticContact CZ-CD1 3.94Å; F1758-Y1795 HydrophobicContact CZ-CD1 3.94Å; F1758-Y1795 AromaticContact CZ-CE1 3.18Å; F1758-Y1795 HydrophobicContact CZ-CE1 3.18Å; F1758-Y1795 AromaticContact CZ-CZ 3.63Å; G1759-Y1795 PolarHBondContact N-O 3.21Å; Q1793-Y1795 HydrophobicContact CB-CD2 4.06Å; Q1793-Y1795 HydrophobicContact CB-CE2 3.95Å; Q1793-Y1795 HydrophobicContact CG-CD1 4.13Å; Q1793-Y1795 HydrophobicContact CG-CE2 4.1Å; Y1795-R1799 VanDerWaalsContact O-CZ 3.3Å; Y1795-R1799 PolarHBondContact O-NH1 3.24Å; Y1795-R1799 PolarHBondContact O-NH2 3.28Å; Y1795-R1799 VanDerWaalsContact O-NH2 3.11Å; Y1795-Y1816 PolarHBondContact OH-OH 2.92Å; Y1795-Q1819 PolarHBondContact OH-NE2 3.01Å; Y1795-Q1819 PolarHBondContact OH-OE1 3.33Å; Y1795-K1821 VanDerWaalsContact CA-O 3.25Å; Y1795-K1821 WeakPolarHBondContact CA-O 3.38Å; Y1795-K1821 HydrophobicContact CD1-CB 3.88Å; Y1795-K1821 HydrophobicContact CD1-CD 3.61Å; Y1795-K1821 HydrophobicContact CD1-CG 4.09Å; Y1795-K1821 HydrophobicContact CD2-CB 4.13Å; Y1795-K1821 HydrophobicContact CD2-CD 4.08Å; Y1795-K1821 HydrophobicContact CD2-CG 4.24Å; Y1795-K1821 HydrophobicContact CE1-CB 4.14Å; Y1795-K1821 HydrophobicContact CE1-CD 3.44Å; Y1795-K1821 VanDerWaalsContact CE1-CD 3.44Å; Y1795-K1821 HydrophobicContact CE1-CG 4.31Å; Y1795-K1821 HydrophobicContact CE2-CB 4.45Å; Y1795-K1821 HydrophobicContact CE2-CD 3.53Å; Y1795-K1821 HydrophobicContact CE2-CG 4.15Å; Y1795-K1821 HydrophobicContact CG-CB 4.32Å; Y1795-K1821 PolarHBondContact OH-NZ 3.24Å; Y1795-D1823 VanDerWaalsContact CD1-OD2 3.32Å; Y1795-D1823 WeakPolarHBondContact CD1-OD2 3.48Å; Y1795-D1823 WeakPolarHBondContact CE1-OD2 3.24Å; Y1795-W2431 PolarHBondContact OH-O 2.94Å; Y1795-L2432 WeakPolarHBondContact CE1-O 3.42Å
1796	G	83.6	Confident	84.5	Confident	15.6 Å²	15.6	25.7 Å²	25.7	16%	0.161	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.8	-138.7	-176.3	0	0	0	0	0	112.2	K1821 G1822 D1823	G1796-K1821 PolarHBondContact N-O 2.9Å; G1796-G1822 CarbonylContact O-C 3.55Å; G1796-G1822 WeakPolarHBondContact O-CA 3.32Å; G1796-D1823 PolarHBondContact O-N 2.87Å
1797	M	84	Confident	86.9	Confident	27.6 Å²	27.6	25.1 Å²	25.1	14%	0.136	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-73.8	157	-178.7	-65.4	-177.5	70.8	0	0	112.4	F1722 G1759 Y1760 T1761 R1799 Q1825	F1722-M1797 HydrophobicContact CD1-SD 4.11Å; F1722-M1797 HydrophobicContact CE1-CE 4.25Å; F1722-M1797 HydrophobicContact CE1-SD 3.38Å; F1722-M1797 WeakPolarHBondContact CE1-SD 3.35Å; F1722-M1797 HydrophobicContact CE2-SD 4.31Å; F1722-M1797 HydrophobicContact CZ-CG 4.41Å; F1722-M1797 HydrophobicContact CZ-SD 3.58Å; F1722-M1797 WeakPolarHBondContact CZ-SD 3.32Å; G1759-M1797 PolarHBondContact O-N 2.98Å; Y1760-M1797 HydrophobicContact CD2-CE 4.26Å; Y1760-M1797 HydrophobicContact CD2-SD 3.23Å; Y1760-M1797 WeakPolarHBondContact CD2-SD 3.31Å; Y1760-M1797 HydrophobicContact CE2-CE 3.87Å; Y1760-M1797 HydrophobicContact CE2-SD 3.4Å; Y1760-M1797 WeakPolarHBondContact CE2-SD 3.36Å; Y1760-M1797 HydrophobicContact CG-SD 4.3Å; T1761-M1797 HydrophobicContact CG2-CB 3.87Å; T1761-M1797 HydrophobicContact CG2-CE 3.95Å; T1761-M1797 HydrophobicContact CG2-SD 4.33Å; M1797-R1799 WeakPolarHBondContact O-CG 3.29Å; M1797-R1799 PolarHBondContact O-NH1 3.13Å; M1797-Q1825 VanDerWaalsContact CE-C 3.43Å; M1797-Q1825 WeakPolarHBondContact CE-O 3.26Å
1798	E	86.2	Confident	89	Confident	28.8 Å²	28.8	23 Å²	23	14%	0.135	11%	0.111	C	C	.	.			trans	-55.6	146.1	177	61.3	174.8	-174.9	0	0	112.6	T1761 G1824 Q1825 S1826 L1832 K2414	T1761-E1798 VanDerWaalsContact CB-O 3.27Å; T1761-E1798 WeakPolarHBondContact CB-O 3.3Å; T1761-E1798 WeakPolarHBondContact CG2-O 3.23Å; T1761-E1798 PolarHBondContact OG1-O 2.92Å; E1798-G1824 PolarHBondContact N-O 3.23Å; E1798-Q1825 WeakPolarHBondContact OE1-CA 3.48Å; E1798-Q1825 WeakPolarHBondContact OE1-CB 3.23Å; E1798-Q1825 WeakPolarHBondContact OE2-CA 3.4Å; E1798-Q1825 WeakPolarHBondContact OE2-CB 3.32Å; E1798-S1826 VanDerWaalsContact CD-N 3.33Å; E1798-S1826 WeakPolarHBondContact OE1-CA 3.29Å; E1798-S1826 VanDerWaalsContact OE1-CB 3.29Å; E1798-S1826 WeakPolarHBondContact OE1-CB 3.43Å; E1798-S1826 PolarHBondContact OE1-N 3.1Å; E1798-S1826 PolarHBondContact OE1-OG 3.18Å; E1798-S1826 PolarHBondContact OE2-N 2.91Å; E1798-S1826 VanDerWaalsContact OE2-N 3.12Å; E1798-L1832 HydrophobicContact CG-CD1 4.07Å; E1798-K2414 VanDerWaalsContact CD-CE 3.49Å; E1798-K2414 VanDerWaalsContact CD-NZ 3.31Å; E1798-K2414 WeakPolarHBondContact OE1-CE 3.21Å; E1798-K2414 IonicContact OE1-NZ 2.75Å; E1798-K2414 PolarHBondContact OE1-NZ 2.92Å; E1798-K2414 WeakPolarHBondContact OE2-CE 3.38Å; E1798-K2414 IonicContact OE2-NZ 2.81Å; E1798-K2414 PolarHBondContact OE2-NZ 2.87Å
1799	R	88.6	Confident	90.7	Very high	3.4 Å²	3.4	21.3 Å²	21.3	1%	0.013	10%	0.104	C	C	.	.			trans	-132.8	155.2	-176.2	-64.2	-174.1	-178.1	87.9	11.5	111.7	I1757 F1758 G1759 Y1760 A1762 S1794 Y1795 M1797 I1801 S1834 Q1871	I1757-R1799 PolarHBondContact O-NH1 3.06Å; F1758-R1799 VanDerWaalsContact C-NH2 3.32Å; F1758-R1799 PolarHBondContact O-NH2 3.4Å; G1759-R1799 VanDerWaalsContact C-NH2 3.28Å; G1759-R1799 VanDerWaalsContact N-NH2 3.16Å; G1759-R1799 PolarHBondContact O-NH2 3.16Å; Y1760-R1799 PolarHBondContact O-NE 3.17Å; Y1760-R1799 PolarHBondContact O-NH2 2.94Å; A1762-R1799 HydrophobicContact CB-CG 4.43Å; A1762-R1799 WeakPolarHBondContact O-CA 3.38Å; A1762-R1799 VanDerWaalsContact O-CB 3.29Å; A1762-R1799 WeakPolarHBondContact O-CB 3.3Å; S1794-R1799 PolarHBondContact OG-NH1 3Å; Y1795-R1799 VanDerWaalsContact O-CZ 3.3Å; Y1795-R1799 PolarHBondContact O-NH1 3.24Å; Y1795-R1799 PolarHBondContact O-NH2 3.28Å; Y1795-R1799 VanDerWaalsContact O-NH2 3.11Å; M1797-R1799 WeakPolarHBondContact O-CG 3.29Å; M1797-R1799 PolarHBondContact O-NH1 3.13Å; R1799-I1801 HydrophobicContact CB-CD1 4.18Å; R1799-I1801 HydrophobicContact CB-CG1 3.82Å; R1799-S1834 PolarHBondContact O-OG 3.09Å; R1799-S1834 VanDerWaalsContact O-OG 3.12Å; R1799-Q1871 PolarHBondContact O-NE2 3.09Å; R1799-Q1871 PolarHBondContact O-OE1 2.99Å
1800	E	90.3	Very high	91.7	Very high	40.2 Å²	40.2	25.8 Å²	25.8	19%	0.188	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	109.1	166.8	-169.6	-172.3	-161	0	0	107.8	A1762 K1763 L1764 F1802 L1832 Q1833	A1762-E1800 PolarHBondContact O-N 3.11Å; A1762-E1800 VanDerWaalsContact O-N 3.09Å; K1763-E1800 VanDerWaalsContact CD-OE2 3.28Å; K1763-E1800 WeakPolarHBondContact CD-OE2 3.34Å; K1763-E1800 WeakPolarHBondContact CE-OE2 3.33Å; K1763-E1800 HydrophobicContact CG-CB 4.36Å; K1763-E1800 WeakPolarHBondContact CG-OE2 3.4Å; K1763-E1800 IonicContact NZ-OE1 3.74Å; K1763-E1800 PolarHBondContact NZ-OE1 2.87Å; K1763-E1800 IonicContact NZ-OE2 3.1Å; K1763-E1800 PolarHBondContact NZ-OE2 2.45Å; L1764-E1800 PolarHBondContact N-O 3.07Å; E1800-F1802 VanDerWaalsContact CD-CE2 3.48Å; E1800-F1802 VanDerWaalsContact CD-CZ 3.42Å; E1800-F1802 HydrophobicContact CG-CD2 4.41Å; E1800-F1802 HydrophobicContact CG-CE1 4.18Å; E1800-F1802 HydrophobicContact CG-CE2 3.63Å; E1800-F1802 HydrophobicContact CG-CZ 3.88Å; E1800-F1802 VanDerWaalsContact OE1-CE2 3.31Å; E1800-F1802 WeakPolarHBondContact OE1-CE2 3.31Å; E1800-F1802 VanDerWaalsContact OE1-CZ 3.28Å; E1800-F1802 WeakPolarHBondContact OE1-CZ 3.31Å; E1800-L1832 HydrophobicContact CB-CB 4.23Å; E1800-L1832 HydrophobicContact CB-CD1 4.38Å; E1800-L1832 HydrophobicContact CB-CD2 4.07Å; E1800-L1832 HydrophobicContact CB-CG 4.36Å; E1800-L1832 HydrophobicContact CG-CB 4.21Å; E1800-L1832 HydrophobicContact CG-CD2 4.39Å; E1800-Q1833 VanDerWaalsContact CG-O 3.31Å; E1800-Q1833 WeakPolarHBondContact CG-O 3.29Å
1801	I	94	Very high	92.1	Very high	0.4 Å²	0.4	25.8 Å²	25.8	0%	0.002	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.8	-170.8	-56.5	178	0	0	0	110.5	L1764 R1799 L1803 L1820 S1834 F1835 Q1871 I1873	L1764-I1801 HydrophobicContact CB-CG1 4.3Å; L1764-I1801 HydrophobicContact CD2-CG1 4.32Å; L1764-I1801 HydrophobicContact CD2-CG2 4.16Å; L1764-I1801 WeakPolarHBondContact O-CA 3.43Å; R1799-I1801 HydrophobicContact CB-CD1 4.18Å; R1799-I1801 HydrophobicContact CB-CG1 3.82Å; I1801-L1803 HydrophobicContact CG2-CD1 3.86Å; I1801-L1803 HydrophobicContact CG2-CD2 4.2Å; I1801-L1803 HydrophobicContact CG2-CG 3.84Å; I1801-L1820 HydrophobicContact CD1-CD1 4.08Å; I1801-L1820 HydrophobicContact CD1-CD2 3.92Å; I1801-L1820 HydrophobicContact CD1-CG 4.42Å; I1801-L1820 HydrophobicContact CG2-CD1 4.4Å; I1801-S1834 PolarHBondContact N-OG 3.05Å; I1801-S1834 CarbonylContact O-C 3.51Å; I1801-S1834 WeakPolarHBondContact O-CA 3.36Å; I1801-S1834 VanDerWaalsContact O-CB 3.29Å; I1801-S1834 WeakPolarHBondContact O-CB 3.24Å; I1801-F1835 PolarHBondContact O-N 2.91Å; I1801-Q1871 HydrophobicContact CD1-CG 4.42Å; I1801-I1873 HydrophobicContact CG2-CD1 4.36Å
1802	F	95.9	Very high	91.9	Very high	46.8 Å²	46.8	29.2 Å²	29.2	21%	0.205	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.3	171.2	-58.8	-77.1	0	0	0	109.2	L1764 N1765 I1766 E1800 Q1833 F1835	L1764-F1802 PolarHBondContact O-N 3.13Å; N1765-F1802 VanDerWaalsContact OD1-CB 3.29Å; N1765-F1802 WeakPolarHBondContact OD1-CB 3.35Å; N1765-F1802 WeakPolarHBondContact OD1-CD2 3.44Å; I1766-F1802 PolarHBondContact N-O 3.22Å; E1800-F1802 VanDerWaalsContact CD-CE2 3.48Å; E1800-F1802 VanDerWaalsContact CD-CZ 3.42Å; E1800-F1802 HydrophobicContact CG-CD2 4.41Å; E1800-F1802 HydrophobicContact CG-CE1 4.18Å; E1800-F1802 HydrophobicContact CG-CE2 3.63Å; E1800-F1802 HydrophobicContact CG-CZ 3.88Å; E1800-F1802 VanDerWaalsContact OE1-CE2 3.31Å; E1800-F1802 WeakPolarHBondContact OE1-CE2 3.31Å; E1800-F1802 VanDerWaalsContact OE1-CZ 3.28Å; E1800-F1802 WeakPolarHBondContact OE1-CZ 3.31Å; F1802-Q1833 VanDerWaalsContact CE1-O 3.28Å; F1802-Q1833 WeakPolarHBondContact CE1-O 3.46Å; F1802-F1835 WeakPolarHBondContact CA-O 3.37Å; F1802-F1835 HydrophobicContact CB-CD2 4.25Å; F1802-F1835 HydrophobicContact CB-CE2 3.67Å; F1802-F1835 HydrophobicContact CB-CZ 3.99Å; F1802-F1835 HydrophobicContact CD1-CB 4.45Å; F1802-F1835 AromaticContact CD1-CD1 3.34Å; F1802-F1835 HydrophobicContact CD1-CD1 3.34Å; F1802-F1835 AromaticContact CD1-CD2 3.66Å; F1802-F1835 HydrophobicContact CD1-CD2 4.07Å; F1802-F1835 AromaticContact CD1-CE1 2.98Å; F1802-F1835 HydrophobicContact CD1-CE1 2.98Å; F1802-F1835 AromaticContact CD1-CE2 3.29Å; F1802-F1835 HydrophobicContact CD1-CE2 3.29Å; F1802-F1835 AromaticContact CD1-CG 3.68Å; F1802-F1835 HydrophobicContact CD1-CG 3.68Å; F1802-F1835 AromaticContact CD1-CZ 2.93Å; F1802-F1835 HydrophobicContact CD1-CZ 2.93Å; F1802-F1835 AromaticContact CE1-CD1 3.37Å; F1802-F1835 HydrophobicContact CE1-CD1 3.37Å; F1802-F1835 AromaticContact CE1-CD2 3.79Å; F1802-F1835 HydrophobicContact CE1-CD2 3.79Å; F1802-F1835 AromaticContact CE1-CE1 2.91Å; F1802-F1835 HydrophobicContact CE1-CE1 2.91Å; F1802-F1835 HydrophobicContact CE1-CE2 4.29Å; F1802-F1835 HydrophobicContact CE1-CG 4.17Å; F1802-F1835 AromaticContact CE1-CZ 3.35Å; F1802-F1835 HydrophobicContact CE1-CZ 3.35Å; F1802-F1835 HydrophobicContact CG-CD2 4.39Å; F1802-F1835 HydrophobicContact CG-CE1 4.05Å; F1802-F1835 AromaticContact CG-CE2 3.76Å; F1802-F1835 HydrophobicContact CG-CE2 3.76Å; F1802-F1835 AromaticContact CG-CZ 3.57Å; F1802-F1835 HydrophobicContact CG-CZ 3.57Å; F1802-F1835 AromaticContact CZ-CE1 3.96Å; F1802-F1835 HydrophobicContact CZ-CE1 3.96Å; F1802-F1835 HydrophobicContact CZ-CZ 4.28Å
1803	L	96.1	Very high	91.4	Very high	1.6 Å²	1.6	30.2 Å²	30.2	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	98	176.7	-75.7	162.6	0	0	0	108.2	I1766 I1801 I1818 L1820 F1835 M1836 Q1837 N1839 I1873	I1766-L1803 HydrophobicContact CB-CD2 3.78Å; I1766-L1803 HydrophobicContact CD1-CD2 3.95Å; I1766-L1803 HydrophobicContact CG1-CD2 4.32Å; I1766-L1803 HydrophobicContact CG2-CD2 4.09Å; I1766-L1803 WeakPolarHBondContact O-CA 3.29Å; I1801-L1803 HydrophobicContact CG2-CD1 3.86Å; I1801-L1803 HydrophobicContact CG2-CD2 4.2Å; I1801-L1803 HydrophobicContact CG2-CG 3.84Å; L1803-I1818 HydrophobicContact CD1-CD1 4.36Å; L1803-I1818 HydrophobicContact CD1-CG2 4.38Å; L1803-L1820 HydrophobicContact CD1-CD1 4.33Å; L1803-F1835 PolarHBondContact N-O 3.28Å; L1803-M1836 HydrophobicContact CB-CB 4.16Å; L1803-M1836 HydrophobicContact CB-CG 3.95Å; L1803-M1836 HydrophobicContact CD1-CB 4.44Å; L1803-M1836 HydrophobicContact CD1-CG 4.26Å; L1803-M1836 HydrophobicContact CD1-SD 4.06Å; L1803-M1836 CarbonylContact O-C 3.56Å; L1803-M1836 VanDerWaalsContact O-CA 3.27Å; L1803-M1836 WeakPolarHBondContact O-CA 3.35Å; L1803-Q1837 PolarHBondContact O-N 3.02Å; L1803-N1839 PolarHBondContact O-ND2 3Å; L1803-I1873 HydrophobicContact CD1-CD1 4.41Å
1804	S	95.6	Very high	91.1	Very high	8.2 Å²	8.2	29.3 Å²	29.3	6%	0.057	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.5	-175	75.4	0	0	0	0	114.4	I1766 E1767 N1768 N1806 Q1837	I1766-S1804 PolarHBondContact O-N 3.1Å; E1767-S1804 CarbonylContact C-O 3.57Å; E1767-S1804 WeakPolarHBondContact CA-O 3.35Å; E1767-S1804 WeakPolarHBondContact CB-OG 3.23Å; E1767-S1804 VanDerWaalsContact CD-OG 3.23Å; E1767-S1804 WeakPolarHBondContact CG-OG 3.38Å; E1767-S1804 PolarHBondContact OE1-OG 3.32Å; N1768-S1804 PolarHBondContact N-O 3.07Å; S1804-N1806 PolarHBondContact N-ND2 3.06Å; S1804-N1806 PolarHBondContact O-N 3.01Å; S1804-N1806 PolarHBondContact O-ND2 3.02Å; S1804-N1806 VanDerWaalsContact O-ND2 3.1Å; S1804-Q1837 VanDerWaalsContact CA-O 3.27Å; S1804-Q1837 WeakPolarHBondContact CA-O 3.35Å
1805	E	95.6	Very high	90.7	Very high	63.8 Å²	63.8	30.1 Å²	30.1	30%	0.298	14%	0.141	S	C	.	.	S	Bend	trans	57.5	27.4	169.6	-58.7	179	177.8	0	0	114.5	N1768 Q1837 K1838 N1839	N1768-E1805 VanDerWaalsContact CA-O 3.29Å; N1768-E1805 WeakPolarHBondContact CA-O 3.29Å; N1768-E1805 PolarHBondContact ND2-OE2 2.83Å; N1768-E1805 VanDerWaalsContact OD1-CB 3.28Å; N1768-E1805 WeakPolarHBondContact OD1-CB 3.22Å; N1768-E1805 PolarHBondContact OD1-OE2 2.94Å; E1805-Q1837 PolarHBondContact N-O 3.06Å; E1805-Q1837 VanDerWaalsContact N-O 3.09Å; E1805-K1838 WeakPolarHBondContact CA-O 3.18Å; E1805-K1838 HydrophobicContact CG-CB 3.84Å; E1805-K1838 HydrophobicContact CG-CD 3.78Å; E1805-K1838 HydrophobicContact CG-CG 4.46Å; E1805-K1838 VanDerWaalsContact OE1-CD 3.24Å; E1805-K1838 WeakPolarHBondContact OE1-CD 3.32Å; E1805-K1838 IonicContact OE1-NZ 3.24Å; E1805-K1838 PolarHBondContact OE1-NZ 2.95Å; E1805-N1839 PolarHBondContact N-OD1 3.18Å
1806	N	97.2	Very high	90.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.			trans	-91.3	148.4	177.9	-54.4	-79.5	0	0	0	112.3	I1766 N1768 N1769 S1804 F1808 N1839 I1840	I1766-N1806 PolarHBondContact O-ND2 3.06Å; N1768-N1806 PolarHBondContact N-OD1 3.22Å; N1769-N1806 VanDerWaalsContact CB-OD1 3.3Å; N1769-N1806 WeakPolarHBondContact CB-OD1 3.4Å; N1769-N1806 PolarHBondContact N-OD1 3.04Å; N1769-N1806 PolarHBondContact ND2-OD1 2.96Å; N1769-N1806 CarbonylContact O-C 3.54Å; N1769-N1806 VanDerWaalsContact O-CA 3.28Å; N1769-N1806 WeakPolarHBondContact O-CA 3.25Å; S1804-N1806 PolarHBondContact N-ND2 3.06Å; S1804-N1806 PolarHBondContact O-N 3.01Å; S1804-N1806 PolarHBondContact O-ND2 3.02Å; S1804-N1806 VanDerWaalsContact O-ND2 3.1Å; N1806-F1808 HydrophobicContact CB-CD2 4.39Å; N1806-F1808 HydrophobicContact CB-CE2 3.66Å; N1806-F1808 HydrophobicContact CB-CZ 4.06Å; N1806-N1839 VanDerWaalsContact CB-OD1 3.29Å; N1806-N1839 WeakPolarHBondContact CB-OD1 3.34Å; N1806-N1839 PolarHBondContact N-OD1 3.09Å; N1806-N1839 PolarHBondContact ND2-OD1 2.93Å; N1806-N1839 CarbonylContact O-C 3.57Å; N1806-N1839 VanDerWaalsContact O-CA 3.28Å; N1806-N1839 WeakPolarHBondContact O-CA 3.37Å; N1806-I1840 PolarHBondContact O-N 3.04Å
1807	H	96.4	Very high	91.2	Very high	72.6 Å²	72.6	26.8 Å²	26.8	34%	0.336	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114	179	-69.4	-108.4	0	0	0	111	N1769 Q1770 F1771 L1809 I1840	N1769-H1807 PolarHBondContact O-N 3.12Å; Q1770-H1807 CarbonylContact C-O 3.58Å; Q1770-H1807 HydrophobicContact CG-CB 4.44Å; F1771-H1807 PolarHBondContact N-O 2.88Å; H1807-L1809 HydrophobicContact CB-CD1 4.24Å; H1807-L1809 HydrophobicContact CB-CG 4.27Å; H1807-I1840 WeakPolarHBondContact CE1-CD1 3.31Å; H1807-I1840 WeakPolarHBondContact ND1-CD1 3.42Å
1808	F	96.1	Very high	91.7	Very high	0.2 Å²	0.2	25.5 Å²	25.5	0%	0.001	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	99	175.6	-58.7	-86	0	0	0	109.1	F1771 L1791 I1792 N1806 I1817 I1818 I1840 L1841 Q1842 N1844	F1771-F1808 HydrophobicContact CB-CD1 3.85Å; F1771-F1808 HydrophobicContact CB-CE1 4.34Å; F1771-F1808 AromaticContact CD2-CD1 3.59Å; F1771-F1808 HydrophobicContact CD2-CD1 3.59Å; F1771-F1808 AromaticContact CD2-CE1 3.25Å; F1771-F1808 HydrophobicContact CD2-CE1 3.25Å; F1771-F1808 HydrophobicContact CD2-CG 4.49Å; F1771-F1808 AromaticContact CD2-CZ 3.95Å; F1771-F1808 HydrophobicContact CD2-CZ 3.95Å; F1771-F1808 HydrophobicContact CE2-CD1 4.34Å; F1771-F1808 AromaticContact CE2-CE1 3.55Å; F1771-F1808 HydrophobicContact CE2-CE1 3.55Å; F1771-F1808 AromaticContact CE2-CZ 3.97Å; F1771-F1808 HydrophobicContact CE2-CZ 3.97Å; F1771-F1808 AromaticContact CG-CD1 3.86Å; F1771-F1808 HydrophobicContact CG-CD1 3.86Å; F1771-F1808 AromaticContact CG-CE1 3.84Å; F1771-F1808 HydrophobicContact CG-CE1 3.84Å; F1771-F1808 HydrophobicContact CZ-CE1 4.33Å; L1791-F1808 HydrophobicContact CD2-CD1 3.57Å; L1791-F1808 VanDerWaalsContact CD2-CD1 3.49Å; L1791-F1808 HydrophobicContact CD2-CE1 3.96Å; I1792-F1808 HydrophobicContact CD1-CE1 3.51Å; I1792-F1808 VanDerWaalsContact CD1-CE1 3.46Å; I1792-F1808 HydrophobicContact CD1-CZ 3.62Å; I1792-F1808 HydrophobicContact CG1-CE1 4.21Å; N1806-F1808 HydrophobicContact CB-CD2 4.39Å; N1806-F1808 HydrophobicContact CB-CE2 3.66Å; N1806-F1808 HydrophobicContact CB-CZ 4.06Å; F1808-I1817 HydrophobicContact CB-CG2 4.16Å; F1808-I1817 HydrophobicContact CD1-CG2 3.85Å; F1808-I1817 HydrophobicContact CE1-CG2 4.44Å; F1808-I1817 HydrophobicContact CG-CG2 4.07Å; F1808-I1818 HydrophobicContact CE1-CD1 4.46Å; F1808-I1818 HydrophobicContact CE2-CD1 3.93Å; F1808-I1818 HydrophobicContact CZ-CD1 3.93Å; F1808-I1818 HydrophobicContact CZ-CG1 4.38Å; F1808-I1840 PolarHBondContact N-O 3.12Å; F1808-L1841 HydrophobicContact CB-CB 4.5Å; F1808-L1841 HydrophobicContact CB-CG 4.18Å; F1808-L1841 HydrophobicContact CD2-CD1 4.42Å; F1808-L1841 HydrophobicContact CD2-CD2 4.18Å; F1808-L1841 HydrophobicContact CD2-CG 3.82Å; F1808-L1841 HydrophobicContact CG-CD2 4.48Å; F1808-L1841 HydrophobicContact CG-CG 4.31Å; F1808-Q1842 PolarHBondContact O-N 3.16Å; F1808-N1844 PolarHBondContact O-ND2 3.17Å; F1808-N1844 PolarHBondContact O-OD1 2.78Å
1809	L	94.6	Very high	91.9	Very high	37 Å²	37	24.7 Å²	24.7	19%	0.194	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.2	-168.6	-54.8	176.7	0	0	0	110.9	F1771 L1772 E1773 H1807 N1811 I1840 Q1842	F1771-L1809 PolarHBondContact O-N 2.94Å; L1772-L1809 WeakPolarHBondContact CA-O 3.14Å; L1772-L1809 HydrophobicContact CD1-CB 3.72Å; L1772-L1809 HydrophobicContact CD1-CD1 4.39Å; E1773-L1809 PolarHBondContact N-O 3.12Å; E1773-L1809 VanDerWaalsContact N-O 3.1Å; H1807-L1809 HydrophobicContact CB-CD1 4.24Å; H1807-L1809 HydrophobicContact CB-CG 4.27Å; L1809-N1811 PolarHBondContact N-ND2 3.16Å; L1809-N1811 PolarHBondContact O-N 3.09Å; L1809-N1811 VanDerWaalsContact O-N 3.1Å; L1809-N1811 PolarHBondContact O-ND2 3.23Å; L1809-I1840 HydrophobicContact CD2-CG2 4.23Å; L1809-Q1842 WeakPolarHBondContact CA-O 3.37Å; L1809-Q1842 HydrophobicContact CD2-CB 3.99Å
1810	R	93.3	Very high	92.1	Very high	114 Å²	114	24.6 Å²	24.6	43%	0.43	11%	0.113	S	C	.	.	S	Bend	trans	56	27.4	168.4	-59.6	-176.3	-68.8	157	2.2	115.2	E1773 K1812 Q1842 D1843 N1844	E1773-R1810 WeakPolarHBondContact CA-O 3.27Å; E1773-R1810 HydrophobicContact CG-CB 3.89Å; E1773-R1810 IonicContact OE1-CZ 3.13Å; E1773-R1810 VanDerWaalsContact OE1-CZ 3.23Å; E1773-R1810 IonicContact OE1-NE 3.19Å; E1773-R1810 PolarHBondContact OE1-NE 2.79Å; E1773-R1810 IonicContact OE1-NH1 2.9Å; E1773-R1810 PolarHBondContact OE1-NH1 3.05Å; E1773-R1810 IonicContact OE1-NH2 3.79Å; E1773-R1810 PolarHBondContact OE1-NH2 3.13Å; E1773-R1810 VanDerWaalsContact OE1-NH2 3.11Å; R1810-K1812 WeakPolarHBondContact O-CG 3.45Å; R1810-Q1842 PolarHBondContact N-O 3.08Å; R1810-Q1842 VanDerWaalsContact N-O 3.14Å; R1810-D1843 VanDerWaalsContact CA-O 3.27Å; R1810-D1843 WeakPolarHBondContact CA-O 3.31Å; R1810-D1843 HydrophobicContact CG-CB 3.87Å; R1810-N1844 PolarHBondContact N-OD1 3.06Å
1811	N	92.2	Very high	92	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.			trans	-70.8	145.7	173	-58.6	-77.7	0	0	0	109.7	F1771 N1774 L1809 I1817 N1844 D1845	F1771-N1811 PolarHBondContact O-ND2 2.94Å; N1774-N1811 VanDerWaalsContact CB-OD1 3.31Å; N1774-N1811 WeakPolarHBondContact CB-OD1 3.38Å; N1774-N1811 PolarHBondContact N-OD1 3.22Å; N1774-N1811 VanDerWaalsContact N-OD1 3.09Å; N1774-N1811 PolarHBondContact ND2-OD1 3.01Å; N1774-N1811 CarbonylContact O-C 3.56Å; N1774-N1811 VanDerWaalsContact O-CA 3.29Å; N1774-N1811 WeakPolarHBondContact O-CA 3.23Å; N1774-N1811 WeakPolarHBondContact O-CB 3.4Å; L1809-N1811 PolarHBondContact N-ND2 3.16Å; L1809-N1811 PolarHBondContact O-N 3.09Å; L1809-N1811 VanDerWaalsContact O-N 3.1Å; L1809-N1811 PolarHBondContact O-ND2 3.23Å; N1811-I1817 HydrophobicContact CB-CD1 4.45Å; N1811-N1844 WeakPolarHBondContact CB-OD1 3.37Å; N1811-N1844 PolarHBondContact N-OD1 2.98Å; N1811-N1844 PolarHBondContact ND2-OD1 2.97Å; N1811-N1844 CarbonylContact O-C 3.54Å; N1811-N1844 WeakPolarHBondContact O-CA 3.25Å; N1811-D1845 PolarHBondContact O-N 3.04Å
1812	K	88	Confident	91.7	Very high	73 Å²	73	24 Å²	24	32%	0.317	11%	0.11	S	C	.	.	B	Isolated β-bridge	trans	-126.2	154.1	-166.6	-62	-179.1	-177.5	173.8	0	113.7	N1774 Y1775 C1776 R1810 C1814 D1845	N1774-K1812 PolarHBondContact O-N 3.02Å; Y1775-K1812 CarbonylContact C-O 3.57Å; Y1775-K1812 WeakPolarHBondContact CA-O 3.33Å; Y1775-K1812 HydrophobicContact CD1-CB 3.93Å; Y1775-K1812 HydrophobicContact CD1-CD 4.42Å; Y1775-K1812 HydrophobicContact CD2-CB 4.01Å; Y1775-K1812 HydrophobicContact CE1-CB 3.89Å; Y1775-K1812 HydrophobicContact CE1-CD 3.83Å; Y1775-K1812 HydrophobicContact CE1-CG 4.4Å; Y1775-K1812 HydrophobicContact CE2-CD 4.27Å; Y1775-K1812 HydrophobicContact CG-CB 4.4Å; Y1775-K1812 WeakPolarHBondContact OH-CD 3.19Å; Y1775-K1812 PolarHBondContact OH-NZ 2.92Å; C1776-K1812 PolarHBondContact N-O 3.16Å; R1810-K1812 WeakPolarHBondContact O-CG 3.45Å; K1812-C1814 VanDerWaalsContact C-N 3.27Å; K1812-C1814 PolarHBondContact O-N 3.17Å; K1812-C1814 PolarHBondContact O-SG 3.02Å; K1812-C1814 VanDerWaalsContact O-SG 3.37Å; K1812-D1845 HydrophobicContact CB-CB 4.32Å; K1812-D1845 HydrophobicContact CG-CB 4.3Å
1813	N	83.2	Confident	90.9	Very high	23.4 Å²	23.4	24.2 Å²	24.2	13%	0.125	11%	0.113	C	C	.	.	S	Bend	trans	54.5	36.4	177.7	-79.2	7.3	0	0	0	113.5	Y1775 C1776 Q1777 I1779 D1845 M1848	Y1775-N1813 HydrophobicContact CD2-CB 4.11Å; Y1775-N1813 HydrophobicContact CE2-CB 3.51Å; Y1775-N1813 PolarHBondContact OH-ND2 3.28Å; C1776-N1813 WeakPolarHBondContact CB-O 3.33Å; C1776-N1813 WeakPolarHBondContact O-CB 3.36Å; C1776-N1813 PolarHBondContact O-ND2 3.16Å; Q1777-N1813 HydrophobicContact CB-CB 4.25Å; Q1777-N1813 PolarHBondContact N-O 3.37Å; Q1777-N1813 WeakPolarHBondContact O-CB 3.35Å; Q1777-N1813 PolarHBondContact O-ND2 3.03Å; Q1777-N1813 VanDerWaalsContact O-ND2 3.08Å; I1779-N1813 VanDerWaalsContact CG1-ND2 3.33Å; I1779-N1813 WeakPolarHBondContact CG1-ND2 3.45Å; N1813-D1845 PolarHBondContact N-O 3.03Å; N1813-M1848 HydrophobicContact CB-CB 4.34Å; N1813-M1848 PolarHBondContact OD1-O 3.01Å; N1813-M1848 PolarHBondContact OD1-SD 2.96Å
1814	C	84.4	Confident	90.2	Very high	1.8 Å²	1.8	24.5 Å²	24.5	1%	0.012	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-97.3	133.8	179	-57.6	0	0	0	0	110	C1776 K1812 Y1816 I1817 D1845 I1846 C1847	C1776-C1814 HydrophobicContact CB-CB 3.76Å; C1776-C1814 WeakPolarHBondContact CB-SG 3.36Å; C1776-C1814 WeakPolarHBondContact SG-CB 3.28Å; C1776-C1814 CovalentContact SG-SG 2.05Å; C1776-C1814 PolarHBondContact SG-SG 3.09Å; K1812-C1814 VanDerWaalsContact C-N 3.27Å; K1812-C1814 PolarHBondContact O-N 3.17Å; K1812-C1814 PolarHBondContact O-SG 3.02Å; K1812-C1814 VanDerWaalsContact O-SG 3.37Å; C1814-Y1816 VanDerWaalsContact C-N 3.3Å; C1814-Y1816 WeakPolarHBondContact CB-O 3.01Å; C1814-I1817 HydrophobicContact CB-CD1 3.96Å; C1814-D1845 PolarHBondContact N-O 3.2Å; C1814-I1846 WeakPolarHBondContact O-CA 3.31Å; C1814-I1846 VanDerWaalsContact O-CG2 3.25Å; C1814-I1846 WeakPolarHBondContact O-CG2 3.41Å; C1814-C1847 PolarHBondContact O-N 3.08Å; C1814-C1847 VanDerWaalsContact O-N 3.12Å
1815	S	81.7	Confident	89.5	Confident	17.6 Å²	17.6	26.9 Å²	26.9	12%	0.123	13%	0.127	C	C	.	.	S	Bend	trans	-65.6	-41.4	165.2	-71.9	0	0	0	0	109.8	N1778 N1789 I1846 E1861 C1862 Y1863	N1778-S1815 PolarHBondContact ND2-OG 3.28Å; N1789-S1815 PolarHBondContact N-OG 3.37Å; N1789-S1815 VanDerWaalsContact O-CB 3.26Å; N1789-S1815 WeakPolarHBondContact O-CB 3.26Å; N1789-S1815 PolarHBondContact O-N 3.12Å; N1789-S1815 VanDerWaalsContact O-N 3.15Å; S1815-I1846 VanDerWaalsContact O-CG2 3.31Å; S1815-I1846 WeakPolarHBondContact O-CG2 3.31Å; S1815-E1861 VanDerWaalsContact CB-O 3.3Å; S1815-E1861 WeakPolarHBondContact CB-O 3.42Å; S1815-E1861 PolarHBondContact OG-O 3.01Å; S1815-C1862 VanDerWaalsContact O-CA 3.31Å; S1815-C1862 WeakPolarHBondContact O-CA 3.34Å; S1815-Y1863 PolarHBondContact O-N 2.94Å; S1815-Y1863 VanDerWaalsContact O-N 3.12Å
1816	Y	88.1	Confident	88.6	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.8	173.5	53.2	-94.5	0	0	0	113	E1788 G1790 L1791 I1792 Q1793 Y1795 C1814 Q1819 Y1863	E1788-Y1816 HydrophobicContact CB-CE1 4.26Å; E1788-Y1816 WeakPolarHBondContact O-CE1 3.5Å; E1788-Y1816 PolarHBondContact O-OH 3.18Å; G1790-Y1816 CarbonylContact C-O 3.55Å; G1790-Y1816 VanDerWaalsContact CA-CE2 3.47Å; G1790-Y1816 WeakPolarHBondContact CA-O 3.29Å; G1790-Y1816 PolarHBondContact N-OH 2.8Å; L1791-Y1816 PolarHBondContact N-O 2.91Å; I1792-Y1816 WeakPolarHBondContact O-CE2 3.48Å; Q1793-Y1816 HydrophobicContact CB-CE2 4.31Å; Q1793-Y1816 VanDerWaalsContact CD-OH 3.3Å; Q1793-Y1816 HydrophobicContact CG-CE2 4.17Å; Q1793-Y1816 WeakPolarHBondContact CG-OH 3.11Å; Q1793-Y1816 PolarHBondContact NE2-OH 3.03Å; Q1793-Y1816 VanDerWaalsContact NE2-OH 3.14Å; Q1793-Y1816 PolarHBondContact OE1-OH 3.27Å; Y1795-Y1816 PolarHBondContact OH-OH 2.92Å; C1814-Y1816 VanDerWaalsContact C-N 3.3Å; C1814-Y1816 WeakPolarHBondContact CB-O 3.01Å; Y1816-Q1819 HydrophobicContact CD2-CB 3.55Å; Y1816-Q1819 HydrophobicContact CE1-CB 4.44Å; Y1816-Q1819 HydrophobicContact CE2-CB 3.39Å; Y1816-Q1819 HydrophobicContact CE2-CG 4.4Å; Y1816-Q1819 HydrophobicContact CG-CB 4.25Å; Y1816-Q1819 VanDerWaalsContact CZ-OE1 3.24Å; Y1816-Q1819 PolarHBondContact OH-OE1 2.93Å; Y1816-Q1819 VanDerWaalsContact OH-OE1 3.1Å; Y1816-Y1863 WeakPolarHBondContact CA-O 3.34Å; Y1816-Y1863 VanDerWaalsContact CB-CD2 3.48Å; Y1816-Y1863 VanDerWaalsContact CB-CE2 3.45Å; Y1816-Y1863 WeakPolarHBondContact CB-O 3.39Å; Y1816-Y1863 HydrophobicContact CD1-CE1 4.29Å; Y1816-Y1863 HydrophobicContact CD1-CE2 4.2Å; Y1816-Y1863 AromaticContact CD1-CZ 3.87Å; Y1816-Y1863 HydrophobicContact CD2-CE2 4.4Å; Y1816-Y1863 HydrophobicContact CG-CD2 4.42Å; Y1816-Y1863 AromaticContact CG-CE2 3.77Å; Y1816-Y1863 HydrophobicContact CG-CE2 3.77Å; Y1816-Y1863 AromaticContact CG-CZ 3.96Å
1817	I	92.9	Very high	87.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-46.9	176.1	-52.1	-57.9	0	0	0	110.5	L1791 I1792 F1808 N1811 C1814 L1841 N1844 I1846 T1864	L1791-I1817 HydrophobicContact CB-CG2 4.4Å; L1791-I1817 WeakPolarHBondContact CB-O 3.32Å; L1791-I1817 HydrophobicContact CD2-CG2 3.97Å; I1792-I1817 PolarHBondContact N-O 3.08Å; F1808-I1817 HydrophobicContact CB-CG2 4.16Å; F1808-I1817 HydrophobicContact CD1-CG2 3.85Å; F1808-I1817 HydrophobicContact CE1-CG2 4.44Å; F1808-I1817 HydrophobicContact CG-CG2 4.07Å; N1811-I1817 HydrophobicContact CB-CD1 4.45Å; C1814-I1817 HydrophobicContact CB-CD1 3.96Å; I1817-L1841 HydrophobicContact CB-CD2 4.4Å; I1817-L1841 HydrophobicContact CG2-CD2 4.12Å; I1817-N1844 HydrophobicContact CD1-CB 3.66Å; I1817-N1844 HydrophobicContact CG1-CB 4.06Å; I1817-I1846 HydrophobicContact CD1-CG1 4.38Å; I1817-I1846 HydrophobicContact CD1-CG2 4.11Å; I1817-I1846 HydrophobicContact CG1-CD1 4.33Å; I1817-I1846 HydrophobicContact CG1-CG1 4.27Å; I1817-I1846 HydrophobicContact CG1-CG2 4.18Å; I1817-T1864 WeakPolarHBondContact CA-O 3.35Å; I1817-T1864 HydrophobicContact CB-CG2 4.22Å; I1817-T1864 WeakPolarHBondContact CB-O 3.43Å; I1817-T1864 HydrophobicContact CG1-CG2 4.09Å; I1817-T1864 PolarHBondContact N-O 3Å; I1817-T1864 VanDerWaalsContact N-O 3.11Å
1818	I	94.5	Very high	85.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.8	179.6	-52.8	178.6	0	0	0	109.6	I1792 L1803 F1808 L1820 M1836 L1841 T1864 M1865 G1866	I1792-I1818 HydrophobicContact CB-CG1 4.4Å; I1792-I1818 HydrophobicContact CB-CG2 4.43Å; I1792-I1818 HydrophobicContact CG2-CG2 4.42Å; I1792-I1818 CarbonylContact O-C 3.55Å; I1792-I1818 WeakPolarHBondContact O-CA 3.33Å; L1803-I1818 HydrophobicContact CD1-CD1 4.36Å; L1803-I1818 HydrophobicContact CD1-CG2 4.38Å; F1808-I1818 HydrophobicContact CE1-CD1 4.46Å; F1808-I1818 HydrophobicContact CE2-CD1 3.93Å; F1808-I1818 HydrophobicContact CZ-CD1 3.93Å; F1808-I1818 HydrophobicContact CZ-CG1 4.38Å; I1818-L1820 HydrophobicContact CG2-CD2 4.13Å; I1818-L1820 HydrophobicContact CG2-CG 4.19Å; I1818-M1836 HydrophobicContact CD1-CE 3.93Å; I1818-M1836 HydrophobicContact CD1-SD 4.44Å; I1818-L1841 HydrophobicContact CD1-CD2 4.11Å; I1818-L1841 HydrophobicContact CG1-CD2 4.49Å; I1818-T1864 PolarHBondContact N-O 3.22Å; I1818-M1865 HydrophobicContact CB-CG 4.37Å; I1818-M1865 HydrophobicContact CB-SD 3.49Å; I1818-M1865 WeakPolarHBondContact CB-SD 3.46Å; I1818-M1865 HydrophobicContact CD1-SD 4.26Å; I1818-M1865 HydrophobicContact CG1-SD 4.41Å; I1818-M1865 HydrophobicContact CG2-CE 4.07Å; I1818-M1865 HydrophobicContact CG2-CG 4.49Å; I1818-M1865 HydrophobicContact CG2-SD 3.44Å; I1818-M1865 WeakPolarHBondContact CG2-SD 3.46Å; I1818-M1865 CarbonylContact O-C 3.54Å; I1818-M1865 VanDerWaalsContact O-CA 3.27Å; I1818-M1865 WeakPolarHBondContact O-CA 3.24Å; I1818-G1866 PolarHBondContact O-N 3.1Å
1819	Q	92.1	Very high	84.2	Confident	12.8 Å²	12.8	32.2 Å²	32.2	6%	0.06	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.7	170.3	-177.5	-178.1	-14.7	0	0	110.3	I1792 Q1793 S1794 Y1795 Y1816 Y1863 G1866 F1868	I1792-Q1819 PolarHBondContact O-N 3.19Å; Q1793-Q1819 CarbonylContact C-O 3.57Å; Q1793-Q1819 WeakPolarHBondContact CA-O 3.23Å; Q1793-Q1819 HydrophobicContact CG-CB 4.32Å; S1794-Q1819 PolarHBondContact N-O 3.02Å; Y1795-Q1819 PolarHBondContact OH-NE2 3.01Å; Y1795-Q1819 PolarHBondContact OH-OE1 3.33Å; Y1816-Q1819 HydrophobicContact CD2-CB 3.55Å; Y1816-Q1819 HydrophobicContact CE1-CB 4.44Å; Y1816-Q1819 HydrophobicContact CE2-CB 3.39Å; Y1816-Q1819 HydrophobicContact CE2-CG 4.4Å; Y1816-Q1819 HydrophobicContact CG-CB 4.25Å; Y1816-Q1819 VanDerWaalsContact CZ-OE1 3.24Å; Y1816-Q1819 PolarHBondContact OH-OE1 2.93Å; Y1816-Q1819 VanDerWaalsContact OH-OE1 3.1Å; Q1819-Y1863 HydrophobicContact CB-CE2 4.37Å; Q1819-Y1863 VanDerWaalsContact CD-OH 3.28Å; Q1819-Y1863 VanDerWaalsContact CG-OH 3.31Å; Q1819-Y1863 WeakPolarHBondContact CG-OH 3.39Å; Q1819-Y1863 PolarHBondContact NE2-OH 2.88Å; Q1819-Y1863 VanDerWaalsContact NE2-OH 3.08Å; Q1819-Y1863 PolarHBondContact OE1-OH 3.26Å; Q1819-G1866 WeakPolarHBondContact CA-O 3.13Å; Q1819-F1868 HydrophobicContact CG-CD2 4.12Å; Q1819-F1868 HydrophobicContact CG-CE2 4.16Å
1820	L	92.6	Very high	82.7	Confident	1.8 Å²	1.8	34.9 Å²	34.9	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.5	174.5	-53.8	-177.4	0	0	0	108.5	I1801 L1803 I1818 M1865 G1866 V1867 F1868 Q1871 I1873	I1801-L1820 HydrophobicContact CD1-CD1 4.08Å; I1801-L1820 HydrophobicContact CD1-CD2 3.92Å; I1801-L1820 HydrophobicContact CD1-CG 4.42Å; I1801-L1820 HydrophobicContact CG2-CD1 4.4Å; L1803-L1820 HydrophobicContact CD1-CD1 4.33Å; I1818-L1820 HydrophobicContact CG2-CD2 4.13Å; I1818-L1820 HydrophobicContact CG2-CG 4.19Å; L1820-M1865 HydrophobicContact CD1-CE 3.93Å; L1820-M1865 HydrophobicContact CG-CE 3.93Å; L1820-G1866 PolarHBondContact N-O 3.02Å; L1820-V1867 CarbonylContact O-C 3.51Å; L1820-V1867 VanDerWaalsContact O-CA 3.31Å; L1820-V1867 WeakPolarHBondContact O-CA 3.31Å; L1820-F1868 PolarHBondContact O-N 3.28Å; L1820-Q1871 HydrophobicContact CB-CG 4.22Å; L1820-I1873 HydrophobicContact CD1-CD1 3.66Å; L1820-I1873 HydrophobicContact CD1-CG2 4.44Å
1821	K	88	Confident	81.3	Confident	26.4 Å²	26.4	34.2 Å²	34.2	12%	0.115	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.6	-177.7	-178.2	172.9	177.6	-166.3	0	110.8	S1794 Y1795 G1796 D1823 F1868 W2431 L2432	S1794-K1821 PolarHBondContact O-N 3.2Å; Y1795-K1821 VanDerWaalsContact CA-O 3.25Å; Y1795-K1821 WeakPolarHBondContact CA-O 3.38Å; Y1795-K1821 HydrophobicContact CD1-CB 3.88Å; Y1795-K1821 HydrophobicContact CD1-CD 3.61Å; Y1795-K1821 HydrophobicContact CD1-CG 4.09Å; Y1795-K1821 HydrophobicContact CD2-CB 4.13Å; Y1795-K1821 HydrophobicContact CD2-CD 4.08Å; Y1795-K1821 HydrophobicContact CD2-CG 4.24Å; Y1795-K1821 HydrophobicContact CE1-CB 4.14Å; Y1795-K1821 HydrophobicContact CE1-CD 3.44Å; Y1795-K1821 VanDerWaalsContact CE1-CD 3.44Å; Y1795-K1821 HydrophobicContact CE1-CG 4.31Å; Y1795-K1821 HydrophobicContact CE2-CB 4.45Å; Y1795-K1821 HydrophobicContact CE2-CD 3.53Å; Y1795-K1821 HydrophobicContact CE2-CG 4.15Å; Y1795-K1821 HydrophobicContact CG-CB 4.32Å; Y1795-K1821 PolarHBondContact OH-NZ 3.24Å; G1796-K1821 PolarHBondContact N-O 2.9Å; K1821-D1823 VanDerWaalsContact CE-OD1 3.26Å; K1821-D1823 WeakPolarHBondContact CE-OD1 3.34Å; K1821-D1823 VanDerWaalsContact CG-OD1 3.23Å; K1821-D1823 WeakPolarHBondContact CG-OD1 3.32Å; K1821-D1823 IonicContact NZ-OD1 2.86Å; K1821-D1823 PolarHBondContact NZ-OD1 3.13Å; K1821-D1823 VanDerWaalsContact NZ-OD1 3.15Å; K1821-D1823 IonicContact NZ-OD2 2.93Å; K1821-F1868 WeakPolarHBondContact CA-O 3.38Å; K1821-F1868 HydrophobicContact CB-CB 4.18Å; K1821-F1868 HydrophobicContact CD-CB 4.39Å; K1821-F1868 HydrophobicContact CG-CB 3.97Å; K1821-W2431 HydrophobicContact CD-CZ3 4.24Å; K1821-W2431 PolarHBondContact NZ-O 2.93Å; K1821-L2432 HydrophobicContact CD-CD1 4.24Å; K1821-L2432 HydrophobicContact CG-CD1 4.35Å
1822	G	86.5	Confident	80.2	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.7	173	0	0	0	0	0	111	G1796 F1868 G1869 T1870	G1796-G1822 CarbonylContact O-C 3.55Å; G1796-G1822 WeakPolarHBondContact O-CA 3.32Å; G1822-F1868 PolarHBondContact N-O 2.99Å; G1822-G1869 CarbonylContact O-C 3.56Å; G1822-G1869 VanDerWaalsContact O-CA 3.24Å; G1822-G1869 WeakPolarHBondContact O-CA 3.37Å; G1822-T1870 VanDerWaalsContact CA-OG1 3.29Å; G1822-T1870 WeakPolarHBondContact CA-OG1 3.26Å; G1822-T1870 PolarHBondContact O-N 3.17Å; G1822-T1870 PolarHBondContact O-OG1 3.15Å
1823	D	79.6	Confident	79.8	Confident	50 Å²	50	39.8 Å²	39.8	27%	0.267	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-1.5	178.7	-65.4	-25.7	0	0	0	112.3	Y1795 G1796 K1821 L2432 H2436	Y1795-D1823 VanDerWaalsContact CD1-OD2 3.32Å; Y1795-D1823 WeakPolarHBondContact CD1-OD2 3.48Å; Y1795-D1823 WeakPolarHBondContact CE1-OD2 3.24Å; G1796-D1823 PolarHBondContact O-N 2.87Å; K1821-D1823 VanDerWaalsContact CE-OD1 3.26Å; K1821-D1823 WeakPolarHBondContact CE-OD1 3.34Å; K1821-D1823 VanDerWaalsContact CG-OD1 3.23Å; K1821-D1823 WeakPolarHBondContact CG-OD1 3.32Å; K1821-D1823 IonicContact NZ-OD1 2.86Å; K1821-D1823 PolarHBondContact NZ-OD1 3.13Å; K1821-D1823 VanDerWaalsContact NZ-OD1 3.15Å; K1821-D1823 IonicContact NZ-OD2 2.93Å; D1823-L2432 HydrophobicContact CB-CB 4.05Å; D1823-L2432 HydrophobicContact CB-CD1 4.07Å; D1823-L2432 HydrophobicContact CB-CD2 4.29Å; D1823-L2432 HydrophobicContact CB-CG 4.33Å; D1823-L2432 VanDerWaalsContact CG-CD1 3.46Å; D1823-L2432 WeakPolarHBondContact OD1-CD2 3.43Å; D1823-L2432 WeakPolarHBondContact OD2-CB 3.39Å; D1823-L2432 WeakPolarHBondContact OD2-CD1 3.32Å; D1823-L2432 WeakPolarHBondContact OD2-CG 3.42Å; D1823-H2436 PolarHBondContact O-ND1 3.06Å; D1823-H2436 IonicContact OD2-CE1 3.06Å
1824	G	81.2	Confident	80.2	Confident	9 Å²	9	38.9 Å²	38.9	9%	0.093	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-160.6	165.4	-178.2	0	0	0	0	0	112.7	E1798 T1870 S2437	E1798-G1824 PolarHBondContact N-O 3.23Å; G1824-T1870 PolarHBondContact O-OG1 3.16Å; G1824-T1870 VanDerWaalsContact O-OG1 3.08Å; G1824-S2437 CarbonylContact C-O 3.56Å; G1824-S2437 WeakPolarHBondContact CA-O 3.33Å
1825	Q	80.1	Confident	80.7	Confident	59 Å²	59	42.2 Å²	42.2	28%	0.276	22%	0.222	S	C	.	.			trans	-110.8	145.3	-178.5	-60.5	-172.6	-54.8	0	0	111	M1797 E1798 T1870 S2411 S2412 S2437 T2439	M1797-Q1825 VanDerWaalsContact CE-C 3.43Å; M1797-Q1825 WeakPolarHBondContact CE-O 3.26Å; E1798-Q1825 WeakPolarHBondContact OE1-CA 3.48Å; E1798-Q1825 WeakPolarHBondContact OE1-CB 3.23Å; E1798-Q1825 WeakPolarHBondContact OE2-CA 3.4Å; E1798-Q1825 WeakPolarHBondContact OE2-CB 3.32Å; Q1825-T1870 HydrophobicContact CG-CG2 3.79Å; Q1825-S2411 PolarHBondContact NE2-O 2.78Å; Q1825-S2411 PolarHBondContact OE1-O 2.64Å; Q1825-S2412 PolarHBondContact NE2-O 3Å; Q1825-S2437 PolarHBondContact N-O 2.93Å; Q1825-T2439 PolarHBondContact OE1-O 3.13Å; Q1825-T2439 VanDerWaalsContact OE1-O 3.07Å
1826	S	77.1	Confident	81.4	Confident	7.2 Å²	7.2	41.4 Å²	41.4	5%	0.05	22%	0.216	C	C	.	.			trans	-66.9	155.3	170.5	74.9	0	0	0	0	110.3	E1798 D1828 K2414 T2439	E1798-S1826 VanDerWaalsContact CD-N 3.33Å; E1798-S1826 WeakPolarHBondContact OE1-CA 3.29Å; E1798-S1826 VanDerWaalsContact OE1-CB 3.29Å; E1798-S1826 WeakPolarHBondContact OE1-CB 3.43Å; E1798-S1826 PolarHBondContact OE1-N 3.1Å; E1798-S1826 PolarHBondContact OE1-OG 3.18Å; E1798-S1826 PolarHBondContact OE2-N 2.91Å; E1798-S1826 VanDerWaalsContact OE2-N 3.12Å; S1826-D1828 WeakPolarHBondContact CB-OD2 3.42Å; S1826-D1828 PolarHBondContact O-N 2.92Å; S1826-D1828 WeakPolarHBondContact OG-CB 3.42Å; S1826-D1828 PolarHBondContact OG-N 3.03Å; S1826-D1828 PolarHBondContact OG-O 2.98Å; S1826-D1828 PolarHBondContact OG-OD2 3.46Å; S1826-K2414 PolarHBondContact OG-NZ 3.11Å; S1826-T2439 WeakPolarHBondContact O-CB 3.4Å; S1826-T2439 PolarHBondContact O-OG1 2.91Å; S1826-T2439 VanDerWaalsContact O-OG1 3.04Å
1827	R	70.4	Confident	81.7	Confident	117.2 Å²	117.2	45.2 Å²	45.2	44%	0.442	23%	0.234	S	C	.	.	S	Bend	trans	-66	-25	176.5	-133.6	178.9	-165.1	169.1	3	112.2	N1725 E1726 S1829 Q2471 Y2473 Q2478	N1725-R1827 PolarHBondContact OD1-NH1 2.93Å; E1726-R1827 IonicContact OE1-NH2 2.75Å; R1827-S1829 VanDerWaalsContact C-N 3.26Å; R1827-S1829 PolarHBondContact O-N 3.08Å; R1827-S1829 VanDerWaalsContact O-N 3.1Å; R1827-Q2471 VanDerWaalsContact NH2-OE1 3.14Å; R1827-Y2473 PolarHBondContact NH2-OH 2.93Å; R1827-Q2478 VanDerWaalsContact CG-OE1 3.25Å; R1827-Q2478 PolarHBondContact O-NE2 3.21Å
1828	D	67.4	Low	81.7	Confident	58 Å²	58	49.8 Å²	49.8	31%	0.31	25%	0.254	S	S	.	.	S	Bend	trans	-76.8	121.5	-178.1	-55.4	-48.5	0	0	0	110.4	V1735 S1826 V1830 K2414	V1735-D1828 HydrophobicContact CG1-CB 4.34Å; V1735-D1828 WeakPolarHBondContact CG1-OD2 3.29Å; V1735-D1828 HydrophobicContact CG2-CB 4.13Å; V1735-D1828 WeakPolarHBondContact CG2-OD1 3.26Å; V1735-D1828 WeakPolarHBondContact CG2-OD2 3.29Å; S1826-D1828 WeakPolarHBondContact CB-OD2 3.42Å; S1826-D1828 PolarHBondContact O-N 2.92Å; S1826-D1828 WeakPolarHBondContact OG-CB 3.42Å; S1826-D1828 PolarHBondContact OG-N 3.03Å; S1826-D1828 PolarHBondContact OG-O 2.98Å; S1826-D1828 PolarHBondContact OG-OD2 3.46Å; D1828-V1830 VanDerWaalsContact C-N 3.3Å; D1828-V1830 PolarHBondContact O-N 3.15Å; D1828-K2414 VanDerWaalsContact O-CD 3.24Å; D1828-K2414 WeakPolarHBondContact O-CD 3.31Å; D1828-K2414 WeakPolarHBondContact O-CE 3.36Å; D1828-K2414 PolarHBondContact O-NZ 3.16Å
1829	S	59.1	Low	81.7	Confident	65.6 Å²	65.6	49.8 Å²	49.8	46%	0.459	25%	0.254	S	S	.	.	S	Bend	trans	-72.7	7.3	176.5	60.9	0	0	0	0	113.5	R1827 T1831 K2414 V2476	R1827-S1829 VanDerWaalsContact C-N 3.26Å; R1827-S1829 PolarHBondContact O-N 3.08Å; R1827-S1829 VanDerWaalsContact O-N 3.1Å; S1829-T1831 PolarHBondContact O-N 2.87Å; S1829-K2414 WeakPolarHBondContact O-CB 3.3Å; S1829-K2414 WeakPolarHBondContact O-CD 3.49Å; S1829-V2476 WeakPolarHBondContact OG-CG1 3.18Å
1830	V	64.9	Low	81.8	Confident	93.8 Å²	93.8	50.4 Å²	50.4	57%	0.568	26%	0.257	S	S	*	.	S	Bend	trans	-79.7	127.7	173.9	-176	0	0	0	0	107.9	V1735 D1828 L1832 K2414	V1735-V1830 HydrophobicContact CG2-CG2 4.2Å; D1828-V1830 VanDerWaalsContact C-N 3.3Å; D1828-V1830 PolarHBondContact O-N 3.15Å; V1830-L1832 HydrophobicContact CB-CD1 4.48Å; V1830-L1832 HydrophobicContact CB-CG 4.14Å; V1830-L1832 HydrophobicContact CG1-CD2 4.05Å; V1830-L1832 HydrophobicContact CG1-CG 4.02Å; V1830-L1832 WeakPolarHBondContact O-CG 3.34Å; V1830-L1832 PolarHBondContact O-N 2.99Å; V1830-K2414 PolarHBondContact O-NZ 3.02Å
1831	T	63	Low	81.9	Confident	97.8 Å²	97.8	50.3 Å²	50.3	60%	0.6	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-67.9	107.8	173.3	49	0	0	0	0	110	S1829 Q1833 K2414	S1829-T1831 PolarHBondContact O-N 2.87Å; T1831-Q1833 PolarHBondContact O-N 3.03Å; T1831-K2414 HydrophobicContact CG2-CB 4.39Å; T1831-K2414 HydrophobicContact CG2-CD 4.34Å; T1831-K2414 HydrophobicContact CG2-CG 4.13Å
1832	L	69.6	Low	82.1	Confident	55 Å²	55	52.1 Å²	52.1	29%	0.288	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-72.3	121.1	178.1	-64.2	172.4	0	0	0	109.1	E1798 E1800 V1830 S1834	E1798-L1832 HydrophobicContact CG-CD1 4.07Å; E1800-L1832 HydrophobicContact CB-CB 4.23Å; E1800-L1832 HydrophobicContact CB-CD1 4.38Å; E1800-L1832 HydrophobicContact CB-CD2 4.07Å; E1800-L1832 HydrophobicContact CB-CG 4.36Å; E1800-L1832 HydrophobicContact CG-CB 4.21Å; E1800-L1832 HydrophobicContact CG-CD2 4.39Å; V1830-L1832 HydrophobicContact CB-CD1 4.48Å; V1830-L1832 HydrophobicContact CB-CG 4.14Å; V1830-L1832 HydrophobicContact CG1-CD2 4.05Å; V1830-L1832 HydrophobicContact CG1-CG 4.02Å; V1830-L1832 WeakPolarHBondContact O-CG 3.34Å; V1830-L1832 PolarHBondContact O-N 2.99Å; L1832-S1834 PolarHBondContact O-N 2.97Å
1833	Q	79.4	Confident	82.2	Confident	136.8 Å²	136.8	56 Å²	56	64%	0.639	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-83.7	121	179.2	-68.9	-174.4	-14.1	0	0	110.1	E1800 F1802 T1831 F1835	E1800-Q1833 VanDerWaalsContact CG-O 3.31Å; E1800-Q1833 WeakPolarHBondContact CG-O 3.29Å; F1802-Q1833 VanDerWaalsContact CE1-O 3.28Å; F1802-Q1833 WeakPolarHBondContact CE1-O 3.46Å; T1831-Q1833 PolarHBondContact O-N 3.03Å; Q1833-F1835 HydrophobicContact CB-CD2 4.29Å; Q1833-F1835 HydrophobicContact CB-CE2 3.65Å; Q1833-F1835 VanDerWaalsContact CB-CE2 3.4Å; Q1833-F1835 HydrophobicContact CB-CZ 3.98Å; Q1833-F1835 HydrophobicContact CG-CZ 4.36Å; Q1833-F1835 WeakPolarHBondContact O-CD2 3.45Å
1834	S	92.4	Very high	82.7	Confident	3.4 Å²	3.4	53.8 Å²	53.8	2%	0.024	27%	0.274	C	S	.	.			trans	-108.4	143.9	173.9	-61.5	0	0	0	0	110.5	R1799 I1801 L1832 Q1871 N1872 I1873 T1874	R1799-S1834 PolarHBondContact O-OG 3.09Å; R1799-S1834 VanDerWaalsContact O-OG 3.12Å; I1801-S1834 PolarHBondContact N-OG 3.05Å; I1801-S1834 CarbonylContact O-C 3.51Å; I1801-S1834 WeakPolarHBondContact O-CA 3.36Å; I1801-S1834 VanDerWaalsContact O-CB 3.29Å; I1801-S1834 WeakPolarHBondContact O-CB 3.24Å; L1832-S1834 PolarHBondContact O-N 2.97Å; S1834-Q1871 PolarHBondContact OG-NE2 3.23Å; S1834-N1872 WeakPolarHBondContact CB-O 3.45Å; S1834-I1873 WeakPolarHBondContact O-CA 3.27Å; S1834-T1874 PolarHBondContact O-N 3.07Å
1835	F	94.7	Very high	82.8	Confident	71.6 Å²	71.6	55.6 Å²	55.6	31%	0.314	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139	-177.5	-46.6	-90.3	0	0	0	112.3	I1801 F1802 L1803 Q1833 Q1837 T1874	I1801-F1835 PolarHBondContact O-N 2.91Å; F1802-F1835 WeakPolarHBondContact CA-O 3.37Å; F1802-F1835 HydrophobicContact CB-CD2 4.25Å; F1802-F1835 HydrophobicContact CB-CE2 3.67Å; F1802-F1835 HydrophobicContact CB-CZ 3.99Å; F1802-F1835 HydrophobicContact CD1-CB 4.45Å; F1802-F1835 AromaticContact CD1-CD1 3.34Å; F1802-F1835 HydrophobicContact CD1-CD1 3.34Å; F1802-F1835 AromaticContact CD1-CD2 3.66Å; F1802-F1835 HydrophobicContact CD1-CD2 4.07Å; F1802-F1835 AromaticContact CD1-CE1 2.98Å; F1802-F1835 HydrophobicContact CD1-CE1 2.98Å; F1802-F1835 AromaticContact CD1-CE2 3.29Å; F1802-F1835 HydrophobicContact CD1-CE2 3.29Å; F1802-F1835 AromaticContact CD1-CG 3.68Å; F1802-F1835 HydrophobicContact CD1-CG 3.68Å; F1802-F1835 AromaticContact CD1-CZ 2.93Å; F1802-F1835 HydrophobicContact CD1-CZ 2.93Å; F1802-F1835 AromaticContact CE1-CD1 3.37Å; F1802-F1835 HydrophobicContact CE1-CD1 3.37Å; F1802-F1835 AromaticContact CE1-CD2 3.79Å; F1802-F1835 HydrophobicContact CE1-CD2 3.79Å; F1802-F1835 AromaticContact CE1-CE1 2.91Å; F1802-F1835 HydrophobicContact CE1-CE1 2.91Å; F1802-F1835 HydrophobicContact CE1-CE2 4.29Å; F1802-F1835 HydrophobicContact CE1-CG 4.17Å; F1802-F1835 AromaticContact CE1-CZ 3.35Å; F1802-F1835 HydrophobicContact CE1-CZ 3.35Å; F1802-F1835 HydrophobicContact CG-CD2 4.39Å; F1802-F1835 HydrophobicContact CG-CE1 4.05Å; F1802-F1835 AromaticContact CG-CE2 3.76Å; F1802-F1835 HydrophobicContact CG-CE2 3.76Å; F1802-F1835 AromaticContact CG-CZ 3.57Å; F1802-F1835 HydrophobicContact CG-CZ 3.57Å; F1802-F1835 AromaticContact CZ-CE1 3.96Å; F1802-F1835 HydrophobicContact CZ-CE1 3.96Å; F1802-F1835 HydrophobicContact CZ-CZ 4.28Å; L1803-F1835 PolarHBondContact N-O 3.28Å; Q1833-F1835 HydrophobicContact CB-CD2 4.29Å; Q1833-F1835 HydrophobicContact CB-CE2 3.65Å; Q1833-F1835 VanDerWaalsContact CB-CE2 3.4Å; Q1833-F1835 HydrophobicContact CB-CZ 3.98Å; Q1833-F1835 HydrophobicContact CG-CZ 4.36Å; Q1833-F1835 WeakPolarHBondContact O-CD2 3.45Å; F1835-Q1837 HydrophobicContact CD2-CG 4.43Å; F1835-T1874 CarbonylContact C-O 3.42Å; F1835-T1874 WeakPolarHBondContact CA-O 3.36Å; F1835-T1874 HydrophobicContact CD1-CG2 4.36Å; F1835-T1874 HydrophobicContact CE1-CG2 4.48Å
1836	M	95.5	Very high	82.8	Confident	0.6 Å²	0.6	53.1 Å²	53.1	0%	0.003	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.9	168.7	-177.5	179.6	176.5	0	0	109.5	L1803 I1818 N1839 L1841 M1865 I1873 T1874 I1875 R1876 N1878 F1880	L1803-M1836 HydrophobicContact CB-CB 4.16Å; L1803-M1836 HydrophobicContact CB-CG 3.95Å; L1803-M1836 HydrophobicContact CD1-CB 4.44Å; L1803-M1836 HydrophobicContact CD1-CG 4.26Å; L1803-M1836 HydrophobicContact CD1-SD 4.06Å; L1803-M1836 CarbonylContact O-C 3.56Å; L1803-M1836 VanDerWaalsContact O-CA 3.27Å; L1803-M1836 WeakPolarHBondContact O-CA 3.35Å; I1818-M1836 HydrophobicContact CD1-CE 3.93Å; I1818-M1836 HydrophobicContact CD1-SD 4.44Å; M1836-N1839 HydrophobicContact CE-CB 3.91Å; M1836-N1839 VanDerWaalsContact CG-ND2 3.28Å; M1836-N1839 WeakPolarHBondContact CG-ND2 3.33Å; M1836-L1841 HydrophobicContact CE-CD1 3.74Å; M1836-L1841 HydrophobicContact CE-CD2 4.49Å; M1836-M1865 HydrophobicContact CE-SD 4.08Å; M1836-M1865 HydrophobicContact SD-CE 3.71Å; M1836-M1865 VanDerWaalsContact SD-CE 3.56Å; M1836-M1865 WeakPolarHBondContact SD-CE 3.46Å; M1836-M1865 HydrophobicContact SD-SD 3.64Å; M1836-I1873 HydrophobicContact CB-CD1 3.95Å; M1836-I1873 HydrophobicContact CB-CG1 4.41Å; M1836-T1874 PolarHBondContact N-O 3.03Å; M1836-I1875 HydrophobicContact CB-CG1 4.35Å; M1836-I1875 HydrophobicContact CB-CG2 4.46Å; M1836-I1875 HydrophobicContact CG-CG2 4.47Å; M1836-I1875 WeakPolarHBondContact O-CA 3.38Å; M1836-I1875 HydrophobicContact SD-CG2 4.26Å; M1836-R1876 PolarHBondContact O-N 3.28Å; M1836-N1878 PolarHBondContact O-ND2 2.96Å; M1836-F1880 HydrophobicContact CE-CZ 4.38Å
1837	Q	93.9	Very high	82.3	Confident	81.2 Å²	81.2	53.6 Å²	53.6	38%	0.379	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.9	-177.2	65.4	178.8	5	0	0	115.4	L1803 S1804 E1805 F1835 N1839 R1876 N1878	L1803-Q1837 PolarHBondContact O-N 3.02Å; S1804-Q1837 VanDerWaalsContact CA-O 3.27Å; S1804-Q1837 WeakPolarHBondContact CA-O 3.35Å; E1805-Q1837 PolarHBondContact N-O 3.06Å; E1805-Q1837 VanDerWaalsContact N-O 3.09Å; F1835-Q1837 HydrophobicContact CD2-CG 4.43Å; Q1837-N1839 PolarHBondContact N-ND2 3.13Å; Q1837-N1839 PolarHBondContact O-N 2.87Å; Q1837-N1839 VanDerWaalsContact O-N 3.13Å; Q1837-N1839 PolarHBondContact O-ND2 2.98Å; Q1837-N1839 VanDerWaalsContact O-ND2 3.13Å; Q1837-R1876 WeakPolarHBondContact CA-O 3.31Å; Q1837-R1876 VanDerWaalsContact CB-O 3.29Å; Q1837-R1876 WeakPolarHBondContact CB-O 3.28Å; Q1837-N1878 VanDerWaalsContact C-OD1 3.24Å; Q1837-N1878 VanDerWaalsContact CA-OD1 3.3Å; Q1837-N1878 WeakPolarHBondContact CA-OD1 3.31Å; Q1837-N1878 PolarHBondContact N-OD1 2.96Å
1838	K	93.3	Very high	81.5	Confident	98.2 Å²	98.2	53 Å²	53	43%	0.427	28%	0.277	S	S	.	.	S	Bend	trans	58	21.6	176	-51.7	178.2	-173.2	172.7	0	114.9	E1805 H1877 N1878	E1805-K1838 WeakPolarHBondContact CA-O 3.18Å; E1805-K1838 HydrophobicContact CG-CB 3.84Å; E1805-K1838 HydrophobicContact CG-CD 3.78Å; E1805-K1838 HydrophobicContact CG-CG 4.46Å; E1805-K1838 VanDerWaalsContact OE1-CD 3.24Å; E1805-K1838 WeakPolarHBondContact OE1-CD 3.32Å; E1805-K1838 IonicContact OE1-NZ 3.24Å; E1805-K1838 PolarHBondContact OE1-NZ 2.95Å; K1838-H1877 WeakPolarHBondContact CA-O 3.32Å; K1838-H1877 HydrophobicContact CG-CB 4.43Å; K1838-H1877 PolarHBondContact N-O 3.01Å; K1838-H1877 VanDerWaalsContact N-O 3.12Å; K1838-N1878 PolarHBondContact N-OD1 3.11Å
1839	N	95.5	Very high	80.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.287	C	S	.	.			trans	-84.9	148.4	175	-54.5	-83.4	0	0	0	110.4	L1803 E1805 N1806 M1836 Q1837 L1841 N1878 S1879	L1803-N1839 PolarHBondContact O-ND2 3Å; E1805-N1839 PolarHBondContact N-OD1 3.18Å; N1806-N1839 VanDerWaalsContact CB-OD1 3.29Å; N1806-N1839 WeakPolarHBondContact CB-OD1 3.34Å; N1806-N1839 PolarHBondContact N-OD1 3.09Å; N1806-N1839 PolarHBondContact ND2-OD1 2.93Å; N1806-N1839 CarbonylContact O-C 3.57Å; N1806-N1839 VanDerWaalsContact O-CA 3.28Å; N1806-N1839 WeakPolarHBondContact O-CA 3.37Å; M1836-N1839 HydrophobicContact CE-CB 3.91Å; M1836-N1839 VanDerWaalsContact CG-ND2 3.28Å; M1836-N1839 WeakPolarHBondContact CG-ND2 3.33Å; Q1837-N1839 PolarHBondContact N-ND2 3.13Å; Q1837-N1839 PolarHBondContact O-N 2.87Å; Q1837-N1839 VanDerWaalsContact O-N 3.13Å; Q1837-N1839 PolarHBondContact O-ND2 2.98Å; Q1837-N1839 VanDerWaalsContact O-ND2 3.13Å; N1839-L1841 HydrophobicContact CB-CD1 4.09Å; N1839-N1878 WeakPolarHBondContact CB-OD1 3.26Å; N1839-N1878 PolarHBondContact N-OD1 2.88Å; N1839-N1878 PolarHBondContact ND2-OD1 3.1Å; N1839-N1878 CarbonylContact O-C 3.45Å; N1839-N1878 VanDerWaalsContact O-CA 3.31Å; N1839-N1878 WeakPolarHBondContact O-CA 3.23Å; N1839-N1878 WeakPolarHBondContact O-CB 3.21Å; N1839-S1879 PolarHBondContact O-N 2.96Å
1840	I	94.6	Very high	80.2	Confident	23.8 Å²	23.8	52.5 Å²	52.5	12%	0.122	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.3	176.9	-57	179.4	0	0	0	108.4	N1806 H1807 F1808 L1809 Q1842 F1949 P1951	N1806-I1840 PolarHBondContact O-N 3.04Å; H1807-I1840 WeakPolarHBondContact CE1-CD1 3.31Å; H1807-I1840 WeakPolarHBondContact ND1-CD1 3.42Å; F1808-I1840 PolarHBondContact N-O 3.12Å; L1809-I1840 HydrophobicContact CD2-CG2 4.23Å; I1840-Q1842 HydrophobicContact CG2-CB 4.2Å; I1840-F1949 HydrophobicContact CD1-CE1 3.67Å; I1840-F1949 HydrophobicContact CD1-CE2 3.86Å; I1840-F1949 HydrophobicContact CD1-CZ 3.88Å; I1840-F1949 HydrophobicContact CG1-CE1 3.86Å; I1840-F1949 HydrophobicContact CG1-CE2 3.67Å; I1840-F1949 HydrophobicContact CG1-CZ 3.81Å; I1840-F1949 VanDerWaalsContact CG1-CZ 3.43Å; I1840-P1951 HydrophobicContact CD1-CB 4.02Å; I1840-P1951 HydrophobicContact CD1-CG 3.85Å
1841	L	94.4	Very high	79.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	99.3	176.2	-60.8	92.3	0	0	0	108.1	F1808 I1817 I1818 M1836 N1839 T1864 S1879 F1880 E1881 N1882	F1808-L1841 HydrophobicContact CB-CB 4.5Å; F1808-L1841 HydrophobicContact CB-CG 4.18Å; F1808-L1841 HydrophobicContact CD2-CD1 4.42Å; F1808-L1841 HydrophobicContact CD2-CD2 4.18Å; F1808-L1841 HydrophobicContact CD2-CG 3.82Å; F1808-L1841 HydrophobicContact CG-CD2 4.48Å; F1808-L1841 HydrophobicContact CG-CG 4.31Å; I1817-L1841 HydrophobicContact CB-CD2 4.4Å; I1817-L1841 HydrophobicContact CG2-CD2 4.12Å; I1818-L1841 HydrophobicContact CD1-CD2 4.11Å; I1818-L1841 HydrophobicContact CG1-CD2 4.49Å; M1836-L1841 HydrophobicContact CE-CD1 3.74Å; M1836-L1841 HydrophobicContact CE-CD2 4.49Å; N1839-L1841 HydrophobicContact CB-CD1 4.09Å; L1841-T1864 HydrophobicContact CB-CG2 4.14Å; L1841-T1864 HydrophobicContact CD2-CG2 3.46Å; L1841-T1864 VanDerWaalsContact CD2-CG2 3.45Å; L1841-T1864 HydrophobicContact CG-CG2 4.42Å; L1841-S1879 PolarHBondContact N-O 3.03Å; L1841-F1880 HydrophobicContact CD1-CD1 4.34Å; L1841-F1880 HydrophobicContact CD1-CE1 4.11Å; L1841-F1880 HydrophobicContact CD1-CZ 4.48Å; L1841-F1880 HydrophobicContact CD2-CE1 4.39Å; L1841-E1881 PolarHBondContact O-N 3.14Å; L1841-N1882 PolarHBondContact O-ND2 3Å; L1841-N1882 VanDerWaalsContact O-ND2 3.08Å; L1841-N1882 PolarHBondContact O-OD1 2.99Å
1842	Q	90.9	Very high	78	Confident	65.8 Å²	65.8	57.1 Å²	57.1	31%	0.307	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.9	-170.5	-175	-170.6	-24.7	0	0	112.4	F1808 L1809 R1810 I1840 N1844 E1881 N1882	F1808-Q1842 PolarHBondContact O-N 3.16Å; L1809-Q1842 WeakPolarHBondContact CA-O 3.37Å; L1809-Q1842 HydrophobicContact CD2-CB 3.99Å; R1810-Q1842 PolarHBondContact N-O 3.08Å; R1810-Q1842 VanDerWaalsContact N-O 3.14Å; I1840-Q1842 HydrophobicContact CG2-CB 4.2Å; Q1842-N1844 PolarHBondContact N-ND2 3.24Å; Q1842-N1844 PolarHBondContact O-N 2.99Å; Q1842-N1844 VanDerWaalsContact O-N 3.08Å; Q1842-N1844 PolarHBondContact O-ND2 3.07Å; Q1842-N1844 VanDerWaalsContact O-ND2 3.17Å; Q1842-E1881 HydrophobicContact CB-CB 4.3Å; Q1842-E1881 HydrophobicContact CG-CB 4.05Å; Q1842-N1882 VanDerWaalsContact C-OD1 3.23Å; Q1842-N1882 WeakPolarHBondContact CA-OD1 3.34Å; Q1842-N1882 PolarHBondContact N-OD1 3.3Å
1843	D	89.4	Confident	76.5	Confident	81.6 Å²	81.6	59.3 Å²	59.3	44%	0.436	28%	0.281	S	S	.	.	S	Bend	trans	54.4	26.3	173	-60.6	-41.2	0	0	0	113.6	R1810 E1881 N1882	R1810-D1843 VanDerWaalsContact CA-O 3.27Å; R1810-D1843 WeakPolarHBondContact CA-O 3.31Å; R1810-D1843 HydrophobicContact CG-CB 3.87Å; D1843-E1881 PolarHBondContact N-O 3Å; D1843-E1881 VanDerWaalsContact N-O 3.09Å; D1843-N1882 PolarHBondContact N-OD1 3.17Å
1844	N	89.5	Confident	74.5	Confident	3.2 Å²	3.2	57.9 Å²	57.9	2%	0.017	27%	0.274	C	S	.	.			trans	-78.9	129.8	174.9	-56.6	-78.5	0	0	0	109.6	F1808 R1810 N1811 I1817 Q1842 I1846 N1882	F1808-N1844 PolarHBondContact O-ND2 3.17Å; F1808-N1844 PolarHBondContact O-OD1 2.78Å; R1810-N1844 PolarHBondContact N-OD1 3.06Å; N1811-N1844 WeakPolarHBondContact CB-OD1 3.37Å; N1811-N1844 PolarHBondContact N-OD1 2.98Å; N1811-N1844 PolarHBondContact ND2-OD1 2.97Å; N1811-N1844 CarbonylContact O-C 3.54Å; N1811-N1844 WeakPolarHBondContact O-CA 3.25Å; I1817-N1844 HydrophobicContact CD1-CB 3.66Å; I1817-N1844 HydrophobicContact CG1-CB 4.06Å; Q1842-N1844 PolarHBondContact N-ND2 3.24Å; Q1842-N1844 PolarHBondContact O-N 2.99Å; Q1842-N1844 VanDerWaalsContact O-N 3.08Å; Q1842-N1844 PolarHBondContact O-ND2 3.07Å; Q1842-N1844 VanDerWaalsContact O-ND2 3.17Å; N1844-I1846 PolarHBondContact O-N 3.02Å; N1844-I1846 VanDerWaalsContact O-N 3.11Å; N1844-N1882 VanDerWaalsContact CB-OD1 3.28Å; N1844-N1882 WeakPolarHBondContact CB-OD1 3.3Å; N1844-N1882 PolarHBondContact N-OD1 3.13Å; N1844-N1882 PolarHBondContact ND2-OD1 3.24Å
1845	D	84.4	Confident	72.1	Confident	47 Å²	47	63.8 Å²	63.8	25%	0.251	30%	0.301	S	S	.	.			trans	-85.2	97.1	-178.7	-164.8	16.7	0	0	0	109.7	N1811 K1812 N1813 C1814 M1848	N1811-D1845 PolarHBondContact O-N 3.04Å; K1812-D1845 HydrophobicContact CB-CB 4.32Å; K1812-D1845 HydrophobicContact CG-CB 4.3Å; N1813-D1845 PolarHBondContact N-O 3.03Å; C1814-D1845 PolarHBondContact N-O 3.2Å; D1845-M1848 VanDerWaalsContact CG-CG 3.42Å; D1845-M1848 VanDerWaalsContact OD1-CG 3.24Å; D1845-M1848 WeakPolarHBondContact OD1-CG 3.44Å; D1845-M1848 VanDerWaalsContact OD1-SD 3.42Å; D1845-M1848 WeakPolarHBondContact OD2-CE 3.34Å; D1845-M1848 WeakPolarHBondContact OD2-CG 3.42Å
1846	I	78.6	Confident	69.6	Low	7.4 Å²	7.4	63 Å²	63	4%	0.038	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-99.6	146.7	177.5	-7.8	169.2	0	0	0	108.4	C1814 S1815 I1817 N1844 M1848 C1862 T1864 N1882 I1886	C1814-I1846 WeakPolarHBondContact O-CA 3.31Å; C1814-I1846 VanDerWaalsContact O-CG2 3.25Å; C1814-I1846 WeakPolarHBondContact O-CG2 3.41Å; S1815-I1846 VanDerWaalsContact O-CG2 3.31Å; S1815-I1846 WeakPolarHBondContact O-CG2 3.31Å; I1817-I1846 HydrophobicContact CD1-CG1 4.38Å; I1817-I1846 HydrophobicContact CD1-CG2 4.11Å; I1817-I1846 HydrophobicContact CG1-CD1 4.33Å; I1817-I1846 HydrophobicContact CG1-CG1 4.27Å; I1817-I1846 HydrophobicContact CG1-CG2 4.18Å; N1844-I1846 PolarHBondContact O-N 3.02Å; N1844-I1846 VanDerWaalsContact O-N 3.11Å; I1846-M1848 VanDerWaalsContact C-N 3.32Å; I1846-M1848 PolarHBondContact O-N 3.01Å; I1846-C1862 HydrophobicContact CG2-CB 3.97Å; I1846-T1864 HydrophobicContact CD1-CG2 4.3Å; I1846-T1864 WeakPolarHBondContact CD1-OG1 3.39Å; I1846-N1882 HydrophobicContact CD1-CB 3.98Å; I1846-N1882 HydrophobicContact CG1-CB 4.48Å; I1846-I1886 HydrophobicContact CG1-CD1 4.2Å
1847	C	67.6	Low	67.3	Low	17.4 Å²	17.4	64.7 Å²	64.7	12%	0.118	31%	0.305	C	S	.	.			trans	76.8	16.6	171.4	-50.8	0	0	0	0	118.4	C1814 N1849 S1850 C1862	C1814-C1847 PolarHBondContact O-N 3.08Å; C1814-C1847 VanDerWaalsContact O-N 3.12Å; C1847-N1849 VanDerWaalsContact C-N 3.31Å; C1847-N1849 PolarHBondContact O-N 2.81Å; C1847-N1849 VanDerWaalsContact O-N 3.16Å; C1847-S1850 WeakPolarHBondContact O-CB 3.3Å; C1847-S1850 PolarHBondContact O-N 3.02Å; C1847-S1850 PolarHBondContact O-OG 3.18Å; C1847-C1862 VanDerWaalsContact CA-SG 3.56Å; C1847-C1862 HydrophobicContact CB-CB 4.11Å; C1847-C1862 WeakPolarHBondContact CB-SG 3.36Å; C1847-C1862 WeakPolarHBondContact SG-CB 3.38Å; C1847-C1862 CovalentContact SG-SG 2.02Å; C1847-C1862 PolarHBondContact SG-SG 2.7Å
1848	M	54	Low	65.4	Low	105.2 Å²	105.2	62.6 Å²	62.6	52%	0.518	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.5	-176	-93.8	-108.8	-145.6	0	0	116.1	N1813 D1845 I1846 S1850 R1853	N1813-M1848 HydrophobicContact CB-CB 4.34Å; N1813-M1848 PolarHBondContact OD1-O 3.01Å; N1813-M1848 PolarHBondContact OD1-SD 2.96Å; D1845-M1848 VanDerWaalsContact CG-CG 3.42Å; D1845-M1848 VanDerWaalsContact OD1-CG 3.24Å; D1845-M1848 WeakPolarHBondContact OD1-CG 3.44Å; D1845-M1848 VanDerWaalsContact OD1-SD 3.42Å; D1845-M1848 WeakPolarHBondContact OD2-CE 3.34Å; D1845-M1848 WeakPolarHBondContact OD2-CG 3.42Å; I1846-M1848 VanDerWaalsContact C-N 3.32Å; I1846-M1848 PolarHBondContact O-N 3.01Å; M1848-S1850 PolarHBondContact O-N 2.99Å; M1848-R1853 VanDerWaalsContact O-CZ 3.23Å; M1848-R1853 PolarHBondContact O-NH1 3.43Å; M1848-R1853 PolarHBondContact O-NH2 2.89Å
1849	N	50.4	Low	63.7	Low	95 Å²	95	58.6 Å²	58.6	51%	0.508	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	14.3	-174.2	-81.9	-17.1	0	0	0	115.8	Q1777 Q1785 C1847 E1851	Q1777-N1849 PolarHBondContact OE1-ND2 3.12Å; Q1785-N1849 PolarHBondContact NE2-O 2.8Å; C1847-N1849 VanDerWaalsContact C-N 3.31Å; C1847-N1849 PolarHBondContact O-N 2.81Å; C1847-N1849 VanDerWaalsContact O-N 3.16Å; N1849-E1851 PolarHBondContact O-N 2.87Å
1850	S	47.6	Very low	62.1	Low	17.8 Å²	17.8	61.4 Å²	61.4	12%	0.124	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-84	13.9	-178.6	74.2	0	0	0	0	114.8	C1847 M1848 K1852 R1853 M1857 H1891	C1847-S1850 WeakPolarHBondContact O-CB 3.3Å; C1847-S1850 PolarHBondContact O-N 3.02Å; C1847-S1850 PolarHBondContact O-OG 3.18Å; M1848-S1850 PolarHBondContact O-N 2.99Å; S1850-K1852 PolarHBondContact O-N 2.99Å; S1850-R1853 PolarHBondContact O-N 2.89Å; S1850-R1853 VanDerWaalsContact O-N 3.14Å; S1850-M1857 WeakPolarHBondContact CB-SD 3.06Å; S1850-M1857 PolarHBondContact OG-SD 2.78Å; S1850-M1857 VanDerWaalsContact OG-SD 3.36Å; S1850-H1891 VanDerWaalsContact CB-NE2 3.32Å; S1850-H1891 WeakPolarHBondContact CB-NE2 3.38Å; S1850-H1891 PolarHBondContact OG-CD2 3.3Å; S1850-H1891 VanDerWaalsContact OG-CD2 3.3Å; S1850-H1891 PolarHBondContact OG-CE1 3.24Å; S1850-H1891 PolarHBondContact OG-ND1 2.02Å; S1850-H1891 PolarHBondContact OG-NE2 3.11Å
1851	E	42	Very low	60.6	Low	150.8 Å²	150.8	62.7 Å²	62.7	71%	0.705	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	30.4	179.1	-74.5	-161.6	163.3	0	0	113.5	N1849 R1853 S2059	N1849-E1851 PolarHBondContact O-N 2.87Å; E1851-R1853 VanDerWaalsContact C-N 3.31Å; E1851-R1853 PolarHBondContact O-N 3.41Å; E1851-S2059 WeakPolarHBondContact O-CB 3.21Å
1852	K	40.6	Very low	59.8	Low	136.8 Å²	136.8	63.3 Å²	63.3	60%	0.595	30%	0.301	S	S	*	.	S	Bend	trans	-158.9	5.8	168.3	-58.3	-170.6	179.8	-170.6	0	116.9	S1850 F2053 M2056 N2060	S1850-K1852 PolarHBondContact O-N 2.99Å; K1852-F2053 HydrophobicContact CB-CE1 4.42Å; K1852-F2053 HydrophobicContact CD-CE1 4.22Å; K1852-F2053 HydrophobicContact CG-CE1 3.9Å; K1852-F2053 HydrophobicContact CG-CZ 4.32Å; K1852-F2053 WeakPolarHBondContact O-CE1 3.4Å; K1852-M2056 HydrophobicContact CB-CE 4.27Å; K1852-N2060 HydrophobicContact CB-CB 3.78Å; K1852-N2060 HydrophobicContact CD-CB 4.1Å; K1852-N2060 WeakPolarHBondContact CD-OD1 3.23Å; K1852-N2060 WeakPolarHBondContact CE-OD1 3.29Å; K1852-N2060 HydrophobicContact CG-CB 3.94Å; K1852-N2060 WeakPolarHBondContact CG-OD1 3.38Å; K1852-N2060 PolarHBondContact NZ-OD1 2.85Å
1853	R	37.5	Very low	59.6	Low	101.4 Å²	101.4	60.4 Å²	60.4	38%	0.383	29%	0.287	S	S	.	.	S	Bend	trans	-115.4	74.6	-174.5	-75.7	-168.2	-177.1	129.5	3.4	115.1	N1778 M1848 S1850 E1851 Q1855 M1857 E1861	N1778-R1853 PolarHBondContact ND2-NH2 2.91Å; M1848-R1853 VanDerWaalsContact O-CZ 3.23Å; M1848-R1853 PolarHBondContact O-NH1 3.43Å; M1848-R1853 PolarHBondContact O-NH2 2.89Å; S1850-R1853 PolarHBondContact O-N 2.89Å; S1850-R1853 VanDerWaalsContact O-N 3.14Å; E1851-R1853 VanDerWaalsContact C-N 3.31Å; E1851-R1853 PolarHBondContact O-N 3.41Å; R1853-Q1855 VanDerWaalsContact C-N 3.28Å; R1853-Q1855 PolarHBondContact O-N 2.71Å; R1853-M1857 HydrophobicContact CB-CE 4.4Å; R1853-E1861 WeakPolarHBondContact CB-OE2 3.37Å; R1853-E1861 WeakPolarHBondContact CD-OE2 3.37Å
1854	F	38	Very low	59.7	Low	108 Å²	108	56.5 Å²	56.5	47%	0.474	27%	0.267	S	S	.	.			trans	-84.5	127	170.6	-66.7	-74.7	0	0	0	113.2	F1856 M1857 H1891 M2056 N2060 T2230	F1854-F1856 HydrophobicContact CB-CB 4.5Å; F1854-F1856 VanDerWaalsContact CB-O 3.3Å; F1854-F1856 WeakPolarHBondContact CB-O 3.11Å; F1854-F1856 CarbonylContact O-C 3.49Å; F1854-F1856 PolarHBondContact O-N 3.09Å; F1854-M1857 PolarHBondContact O-N 2.83Å; F1854-H1891 AromaticContact CE2-CD2 3.38Å; F1854-H1891 WeakPolarHBondContact CE2-CD2 3.32Å; F1854-H1891 AromaticContact CE2-NE2 3.43Å; F1854-H1891 WeakPolarHBondContact CE2-NE2 3.35Å; F1854-H1891 AromaticContact CZ-CD2 3.8Å; F1854-M2056 HydrophobicContact CB-CG 4.4Å; F1854-M2056 VanDerWaalsContact CB-O 3.27Å; F1854-M2056 WeakPolarHBondContact CB-O 3.43Å; F1854-M2056 HydrophobicContact CD1-CG 3.27Å; F1854-M2056 HydrophobicContact CD1-SD 4.06Å; F1854-M2056 HydrophobicContact CD2-CG 3.92Å; F1854-M2056 HydrophobicContact CE1-CE 4.38Å; F1854-M2056 HydrophobicContact CE1-CG 3.33Å; F1854-M2056 HydrophobicContact CE1-SD 3.88Å; F1854-M2056 HydrophobicContact CE2-CG 3.99Å; F1854-M2056 HydrophobicContact CG-CB 4.5Å; F1854-M2056 HydrophobicContact CG-CG 3.58Å; F1854-M2056 HydrophobicContact CZ-CG 3.7Å; F1854-N2060 PolarHBondContact O-ND2 3.22Å; F1854-N2060 PolarHBondContact O-OD1 3.09Å; F1854-T2230 HydrophobicContact CD1-CG2 4.21Å; F1854-T2230 HydrophobicContact CE1-CG2 3.61Å; F1854-T2230 HydrophobicContact CE2-CG2 4.05Å; F1854-T2230 HydrophobicContact CZ-CG2 3.53Å
1855	Q	42	Very low	59.9	Low	127.6 Å²	127.6	56.3 Å²	56.3	60%	0.596	27%	0.266	S	S	*	.	S	Bend	trans	-66.1	6	166.4	-82.6	-176.6	-21.5	0	0	111.8	R1853 M1857 L2048 T2230	R1853-Q1855 VanDerWaalsContact C-N 3.28Å; R1853-Q1855 PolarHBondContact O-N 2.71Å; Q1855-M1857 PolarHBondContact O-N 3.17Å; Q1855-L2048 HydrophobicContact CB-CD2 4.09Å; Q1855-L2048 HydrophobicContact CG-CD2 4.27Å; Q1855-T2230 HydrophobicContact CB-CG2 3.61Å; Q1855-T2230 HydrophobicContact CG-CG2 4.41Å
1856	F	42.6	Very low	60.2	Low	55.2 Å²	55.2	54.1 Å²	54.1	24%	0.242	25%	0.254	C	S	.	.	S	Bend	trans	-104	79.1	175.7	-86.5	-86.9	0	0	0	110	F1854 N1858 W1934 M1995 A2017 P2018 H2019 L2048 I2057 N2060 T2230	F1854-F1856 HydrophobicContact CB-CB 4.5Å; F1854-F1856 VanDerWaalsContact CB-O 3.3Å; F1854-F1856 WeakPolarHBondContact CB-O 3.11Å; F1854-F1856 CarbonylContact O-C 3.49Å; F1854-F1856 PolarHBondContact O-N 3.09Å; F1856-N1858 PolarHBondContact O-N 2.92Å; F1856-N1858 VanDerWaalsContact O-N 3.13Å; F1856-W1934 HydrophobicContact CE1-CZ2 4.08Å; F1856-M1995 HydrophobicContact CE1-CE 3.6Å; F1856-M1995 HydrophobicContact CE1-SD 4.42Å; F1856-M1995 HydrophobicContact CE2-CE 4.45Å; F1856-M1995 HydrophobicContact CZ-CE 3.77Å; F1856-M1995 HydrophobicContact CZ-SD 4.2Å; F1856-A2017 HydrophobicContact CD1-CB 4.2Å; F1856-A2017 HydrophobicContact CE1-CB 3.36Å; F1856-A2017 VanDerWaalsContact CE1-CB 3.46Å; F1856-A2017 HydrophobicContact CE2-CB 4.01Å; F1856-A2017 HydrophobicContact CZ-CB 3.55Å; F1856-P2018 HydrophobicContact CD2-CB 4.03Å; F1856-P2018 HydrophobicContact CD2-CG 4.21Å; F1856-P2018 HydrophobicContact CE2-CB 3.78Å; F1856-P2018 HydrophobicContact CE2-CG 4.42Å; F1856-P2018 WeakPolarHBondContact CE2-O 3.2Å; F1856-P2018 HydrophobicContact CG-CG 4.45Å; F1856-P2018 WeakPolarHBondContact CZ-O 3.26Å; F1856-H2019 HydrophobicContact CD1-CB 4.35Å; F1856-H2019 AromaticContact CD1-CD2 3.42Å; F1856-H2019 VanDerWaalsContact CD1-CD2 3.42Å; F1856-H2019 WeakPolarHBondContact CD1-CD2 3.48Å; F1856-H2019 AromaticContact CD1-CG 3.84Å; F1856-H2019 AromaticContact CD1-NE2 3.81Å; F1856-H2019 AromaticContact CD2-CD2 3.61Å; F1856-H2019 HydrophobicContact CE1-CB 3.54Å; F1856-H2019 AromaticContact CE1-CD2 3.45Å; F1856-H2019 VanDerWaalsContact CE1-CD2 3.45Å; F1856-H2019 WeakPolarHBondContact CE1-CD2 3.04Å; F1856-H2019 AromaticContact CE1-CG 3.52Å; F1856-H2019 HydrophobicContact CE2-CB 4.38Å; F1856-H2019 AromaticContact CE2-CD2 3.65Å; F1856-H2019 AromaticContact CG-CD2 3.51Å; F1856-H2019 AromaticContact CG-NE2 3.77Å; F1856-H2019 HydrophobicContact CZ-CB 3.58Å; F1856-H2019 AromaticContact CZ-CD2 3.58Å; F1856-H2019 AromaticContact CZ-CG 3.82Å; F1856-H2019 PolarHBondContact O-CE1 2.84Å; F1856-L2048 HydrophobicContact CE2-CD2 3.97Å; F1856-I2057 HydrophobicContact CE1-CD1 4.47Å; F1856-I2057 HydrophobicContact CE1-CG1 4.24Å; F1856-I2057 HydrophobicContact CE2-CG1 4.27Å; F1856-I2057 HydrophobicContact CE2-CG2 4.19Å; F1856-I2057 HydrophobicContact CZ-CB 4.22Å; F1856-I2057 HydrophobicContact CZ-CD1 3.99Å; F1856-I2057 HydrophobicContact CZ-CG1 3.55Å; F1856-I2057 HydrophobicContact CZ-CG2 3.95Å; F1856-N2060 WeakPolarHBondContact CD2-ND2 3.35Å; F1856-T2230 HydrophobicContact CD1-CG2 4.02Å; F1856-T2230 HydrophobicContact CD2-CG2 3.68Å; F1856-T2230 HydrophobicContact CE1-CG2 3.73Å; F1856-T2230 HydrophobicContact CE2-CG2 3.39Å; F1856-T2230 HydrophobicContact CG-CG2 3.98Å; F1856-T2230 HydrophobicContact CZ-CG2 3.38Å
1857	M	45.5	Very low	60.9	Low	34.8 Å²	34.8	53.8 Å²	53.8	17%	0.171	25%	0.252	C	S	.	.			trans	-71.2	117.1	173	-74.9	-135.1	76.2	0	0	109.4	S1850 R1853 F1854 Q1855 P1859 E1861 C1862 P1892 L2146 F2182 L2274	S1850-M1857 WeakPolarHBondContact CB-SD 3.06Å; S1850-M1857 PolarHBondContact OG-SD 2.78Å; S1850-M1857 VanDerWaalsContact OG-SD 3.36Å; R1853-M1857 HydrophobicContact CB-CE 4.4Å; F1854-M1857 PolarHBondContact O-N 2.83Å; Q1855-M1857 PolarHBondContact O-N 3.17Å; M1857-P1859 VanDerWaalsContact O-CD 3.26Å; M1857-P1859 WeakPolarHBondContact O-CD 3.43Å; M1857-P1859 VanDerWaalsContact O-N 3.15Å; M1857-E1861 HydrophobicContact CE-CB 4.28Å; M1857-E1861 WeakPolarHBondContact CE-OE2 3.36Å; M1857-C1862 HydrophobicContact CE-CB 3.59Å; M1857-C1862 VanDerWaalsContact CE-SG 3.58Å; M1857-P1892 HydrophobicContact CB-CG 4.26Å; M1857-P1892 HydrophobicContact CG-CG 4.11Å; M1857-P1892 HydrophobicContact SD-CG 4.4Å; M1857-L2146 HydrophobicContact CE-CD1 3.46Å; M1857-L2146 VanDerWaalsContact CE-CD1 3.46Å; M1857-L2146 HydrophobicContact CE-CD2 3.55Å; M1857-L2146 HydrophobicContact CE-CG 3.99Å; M1857-L2146 HydrophobicContact SD-CD1 3.81Å; M1857-L2146 HydrophobicContact SD-CD2 3.62Å; M1857-L2146 HydrophobicContact SD-CG 3.91Å; M1857-F2182 HydrophobicContact CB-CD1 3.82Å; M1857-F2182 HydrophobicContact CB-CE1 3.74Å; M1857-F2182 HydrophobicContact CB-CZ 4.42Å; M1857-F2182 HydrophobicContact CE-CE1 3.98Å; M1857-F2182 HydrophobicContact CG-CD1 4.05Å; M1857-F2182 HydrophobicContact CG-CE1 4.06Å; M1857-F2182 HydrophobicContact SD-CD1 3.58Å; M1857-F2182 VanDerWaalsContact SD-CD1 3.58Å; M1857-F2182 HydrophobicContact SD-CE1 3.34Å; M1857-F2182 WeakPolarHBondContact SD-CE1 3.34Å; M1857-L2274 HydrophobicContact CE-CD1 4.07Å; M1857-L2274 HydrophobicContact CE-CD2 4.02Å
1858	N	55.1	Low	61.9	Low	38.2 Å²	38.2	53.4 Å²	53.4	20%	0.204	25%	0.248	C	C	.	.			trans	-77.5	114	167.7	-173.5	10.4	0	0	0	107.5	F1856 W1860 E1861	F1856-N1858 PolarHBondContact O-N 2.92Å; F1856-N1858 VanDerWaalsContact O-N 3.13Å; N1858-W1860 PolarHBondContact O-N 2.79Å; N1858-W1860 PolarHBondContact OD1-N 3.47Å; N1858-E1861 HydrophobicContact CB-CG 4.08Å; N1858-E1861 WeakPolarHBondContact CB-OE1 3.33Å; N1858-E1861 WeakPolarHBondContact O-CB 3.37Å; N1858-E1861 PolarHBondContact O-N 3.04Å
1859	P	58.1	Low	63.4	Low	13.2 Å²	13.2	48.9 Å²	48.9	9%	0.086	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-62.7	-12.6	-175.4	24	-32.4	0	0	0	113.1	M1857 E1861 Y1863 Y1894 I1897 F1929 W1934	M1857-P1859 VanDerWaalsContact O-CD 3.26Å; M1857-P1859 WeakPolarHBondContact O-CD 3.43Å; M1857-P1859 VanDerWaalsContact O-N 3.15Å; P1859-E1861 VanDerWaalsContact C-N 3.27Å; P1859-E1861 PolarHBondContact O-N 3.13Å; P1859-Y1863 WeakPolarHBondContact O-CD1 3.33Å; P1859-Y1894 HydrophobicContact CB-CD2 4.3Å; P1859-Y1894 HydrophobicContact CB-CE2 4.21Å; P1859-I1897 HydrophobicContact CB-CD1 4.25Å; P1859-I1897 WeakPolarHBondContact O-CD1 3.2Å; P1859-F1929 HydrophobicContact CB-CD1 4.03Å; P1859-F1929 HydrophobicContact CB-CD2 4.26Å; P1859-F1929 HydrophobicContact CB-CE1 3.82Å; P1859-F1929 HydrophobicContact CB-CE2 4.04Å; P1859-F1929 HydrophobicContact CB-CG 4.26Å; P1859-F1929 HydrophobicContact CB-CZ 3.84Å; P1859-F1929 HydrophobicContact CG-CD1 4.28Å; P1859-F1929 HydrophobicContact CG-CD2 4.45Å; P1859-F1929 HydrophobicContact CG-CE1 3.6Å; P1859-F1929 VanDerWaalsContact CG-CE1 3.43Å; P1859-F1929 HydrophobicContact CG-CE2 4.19Å; P1859-F1929 HydrophobicContact CG-CZ 3.55Å; P1859-F1929 VanDerWaalsContact CG-CZ 3.49Å; P1859-W1934 VanDerWaalsContact CD-CH2 3.49Å; P1859-W1934 VanDerWaalsContact CD-CZ2 3.46Å; P1859-W1934 HydrophobicContact CG-CD2 4.29Å; P1859-W1934 HydrophobicContact CG-CE3 4.25Å; P1859-W1934 HydrophobicContact CG-CH2 3.49Å; P1859-W1934 VanDerWaalsContact CG-CH2 3.49Å; P1859-W1934 HydrophobicContact CG-CZ2 3.49Å; P1859-W1934 VanDerWaalsContact CG-CZ2 3.44Å; P1859-W1934 HydrophobicContact CG-CZ3 3.81Å
1860	W	61	Low	65.1	Low	58.8 Å²	58.8	45.1 Å²	45.1	22%	0.223	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-76.7	-4.3	175.7	-57.6	51.6	0	0	0	113.6	N1858 C1862 Y1863 F1868 I1897 F1929 W1934 L1937 W2431	N1858-W1860 PolarHBondContact O-N 2.79Å; N1858-W1860 PolarHBondContact OD1-N 3.47Å; W1860-C1862 VanDerWaalsContact C-N 3.32Å; W1860-Y1863 VanDerWaalsContact O-CE1 3.27Å; W1860-Y1863 WeakPolarHBondContact O-CE1 3.38Å; W1860-F1868 HydrophobicContact CD2-CE1 4.08Å; W1860-F1868 AromaticContact CE3-CD1 3.72Å; W1860-F1868 HydrophobicContact CE3-CD1 3.72Å; W1860-F1868 AromaticContact CE3-CE1 3.56Å; W1860-F1868 HydrophobicContact CE3-CE1 4.11Å; W1860-F1868 HydrophobicContact CE3-CG 4.43Å; W1860-F1868 AromaticContact CE3-CZ 3.95Å; W1860-F1868 HydrophobicContact CE3-CZ 4.05Å; W1860-F1868 AromaticContact CH2-CD1 3.86Å; W1860-F1868 HydrophobicContact CH2-CD1 4.15Å; W1860-F1868 AromaticContact CH2-CE1 3.79Å; W1860-F1868 HydrophobicContact CH2-CE1 4.13Å; W1860-F1868 AromaticContact CZ3-CD1 3.44Å; W1860-F1868 HydrophobicContact CZ3-CD1 3.7Å; W1860-F1868 VanDerWaalsContact CZ3-CD1 3.44Å; W1860-F1868 HydrophobicContact CZ3-CD2 4.38Å; W1860-F1868 AromaticContact CZ3-CE1 3.47Å; W1860-F1868 HydrophobicContact CZ3-CE1 3.91Å; W1860-F1868 HydrophobicContact CZ3-CE2 4.16Å; W1860-F1868 HydrophobicContact CZ3-CG 4.07Å; W1860-F1868 AromaticContact CZ3-CZ 3.55Å; W1860-F1868 HydrophobicContact CZ3-CZ 3.55Å; W1860-I1897 HydrophobicContact CB-CD1 4.07Å; W1860-I1897 HydrophobicContact CG-CD1 4.37Å; W1860-F1929 AromaticContact CD1-CE1 3.98Å; W1860-F1929 AromaticContact CD1-CZ 3.89Å; W1860-F1929 HydrophobicContact CD2-CE1 4.38Å; W1860-F1929 AromaticContact CE2-CD1 3.88Å; W1860-F1929 AromaticContact CE2-CE1 3.29Å; W1860-F1929 AromaticContact CE2-CZ 3.77Å; W1860-F1929 HydrophobicContact CH2-CE1 4.49Å; W1860-F1929 HydrophobicContact CZ2-CD1 4.02Å; W1860-F1929 AromaticContact CZ2-CE1 3.3Å; W1860-F1929 HydrophobicContact CZ2-CE1 3.3Å; W1860-F1929 HydrophobicContact CZ2-CZ 4.05Å; W1860-F1929 AromaticContact NE1-CD1 3.73Å; W1860-F1929 AromaticContact NE1-CE1 3.05Å; W1860-F1929 AromaticContact NE1-CE2 3.76Å; W1860-F1929 AromaticContact NE1-CZ 3.03Å; W1860-W1934 AromaticContact CD1-CH2 3.62Å; W1860-W1934 VanDerWaalsContact CD1-CH2 3.43Å; W1860-W1934 AromaticContact CD1-CZ3 3.8Å; W1860-W1934 HydrophobicContact CD2-CZ3 4.35Å; W1860-W1934 AromaticContact CE2-CD2 3.75Å; W1860-W1934 AromaticContact CE2-CE3 3.55Å; W1860-W1934 AromaticContact CE2-CH2 3.96Å; W1860-W1934 AromaticContact CE2-CZ3 3.72Å; W1860-W1934 HydrophobicContact CE3-CZ3 4.43Å; W1860-W1934 HydrophobicContact CH2-CB 4.48Å; W1860-W1934 AromaticContact CH2-CD2 3.91Å; W1860-W1934 HydrophobicContact CH2-CD2 3.91Å; W1860-W1934 AromaticContact CH2-CE3 3.09Å; W1860-W1934 HydrophobicContact CH2-CE3 3.09Å; W1860-W1934 AromaticContact CH2-CZ3 3.4Å; W1860-W1934 HydrophobicContact CH2-CZ3 3.4Å; W1860-W1934 VanDerWaalsContact CH2-CZ3 3.4Å; W1860-W1934 HydrophobicContact CZ2-CB 3.87Å; W1860-W1934 AromaticContact CZ2-CD2 3.13Å; W1860-W1934 HydrophobicContact CZ2-CD2 3.13Å; W1860-W1934 AromaticContact CZ2-CE2 3.96Å; W1860-W1934 AromaticContact CZ2-CE3 2.77Å; W1860-W1934 HydrophobicContact CZ2-CE3 2.77Å; W1860-W1934 AromaticContact CZ2-CG 3.65Å; W1860-W1934 HydrophobicContact CZ2-CG 3.65Å; W1860-W1934 HydrophobicContact CZ2-CH2 4.03Å; W1860-W1934 HydrophobicContact CZ2-CZ2 4.38Å; W1860-W1934 AromaticContact CZ2-CZ3 3.22Å; W1860-W1934 HydrophobicContact CZ2-CZ3 3.9Å; W1860-W1934 HydrophobicContact CZ3-CE3 4.15Å; W1860-W1934 HydrophobicContact CZ3-CZ3 4.04Å; W1860-W1934 AromaticContact NE1-CD2 3.99Å; W1860-W1934 AromaticContact NE1-CE2 3.94Å; W1860-W1934 AromaticContact NE1-CH2 3.4Å; W1860-W1934 AromaticContact NE1-CZ3 3.23Å; W1860-W1934 VanDerWaalsContact NE1-CZ3 3.32Å; W1860-L1937 HydrophobicContact CH2-CD1 3.62Å; W1860-L1937 HydrophobicContact CH2-CD2 3.86Å; W1860-L1937 HydrophobicContact CH2-CG 3.52Å; W1860-L1937 HydrophobicContact CZ2-CD1 3.52Å; W1860-L1937 HydrophobicContact CZ2-CD2 4.08Å; W1860-L1937 HydrophobicContact CZ2-CG 3.89Å; W1860-L1937 HydrophobicContact CZ3-CD1 4.44Å; W1860-L1937 HydrophobicContact CZ3-CD2 3.68Å; W1860-L1937 HydrophobicContact CZ3-CG 4.39Å; W1860-W2431 HydrophobicContact CD2-CH2 4.14Å; W1860-W2431 AromaticContact CE3-CH2 3.34Å; W1860-W2431 HydrophobicContact CE3-CH2 3.34Å; W1860-W2431 HydrophobicContact CE3-CZ2 4.31Å; W1860-W2431 AromaticContact CE3-CZ3 3.86Å; W1860-W2431 HydrophobicContact CE3-CZ3 3.86Å; W1860-W2431 HydrophobicContact CH2-CH2 4.1Å; W1860-W2431 AromaticContact CH2-CZ3 3.95Å; W1860-W2431 HydrophobicContact CH2-CZ3 3.95Å; W1860-W2431 HydrophobicContact CZ3-CE3 4.49Å; W1860-W2431 AromaticContact CZ3-CH2 3.33Å; W1860-W2431 HydrophobicContact CZ3-CH2 3.33Å; W1860-W2431 HydrophobicContact CZ3-CZ2 4.45Å; W1860-W2431 AromaticContact CZ3-CZ3 3.31Å; W1860-W2431 HydrophobicContact CZ3-CZ3 3.31Å
1861	E	64.1	Low	67.1	Low	51.4 Å²	51.4	44.6 Å²	44.6	24%	0.24	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-82.9	-22.9	-176.4	-67.7	178.5	-175.3	0	0	113.1	S1815 R1853 M1857 N1858 P1859	S1815-E1861 VanDerWaalsContact CB-O 3.3Å; S1815-E1861 WeakPolarHBondContact CB-O 3.42Å; S1815-E1861 PolarHBondContact OG-O 3.01Å; R1853-E1861 WeakPolarHBondContact CB-OE2 3.37Å; R1853-E1861 WeakPolarHBondContact CD-OE2 3.37Å; M1857-E1861 HydrophobicContact CE-CB 4.28Å; M1857-E1861 WeakPolarHBondContact CE-OE2 3.36Å; N1858-E1861 HydrophobicContact CB-CG 4.08Å; N1858-E1861 WeakPolarHBondContact CB-OE1 3.33Å; N1858-E1861 WeakPolarHBondContact O-CB 3.37Å; N1858-E1861 PolarHBondContact O-N 3.04Å; P1859-E1861 VanDerWaalsContact C-N 3.27Å; P1859-E1861 PolarHBondContact O-N 3.13Å
1862	C	77.1	Confident	69.3	Low	13.6 Å²	13.6	41.1 Å²	41.1	9%	0.092	19%	0.191	C	C	.	.			trans	-149.9	116	-166.7	-72.5	0	0	0	0	114.5	S1815 I1846 C1847 M1857 W1860	S1815-C1862 VanDerWaalsContact O-CA 3.31Å; S1815-C1862 WeakPolarHBondContact O-CA 3.34Å; I1846-C1862 HydrophobicContact CG2-CB 3.97Å; C1847-C1862 VanDerWaalsContact CA-SG 3.56Å; C1847-C1862 HydrophobicContact CB-CB 4.11Å; C1847-C1862 WeakPolarHBondContact CB-SG 3.36Å; C1847-C1862 WeakPolarHBondContact SG-CB 3.38Å; C1847-C1862 CovalentContact SG-SG 2.02Å; C1847-C1862 PolarHBondContact SG-SG 2.7Å; M1857-C1862 HydrophobicContact CE-CB 3.59Å; M1857-C1862 VanDerWaalsContact CE-SG 3.58Å; W1860-C1862 VanDerWaalsContact C-N 3.32Å
1863	Y	87.1	Confident	71.8	Confident	3.6 Å²	3.6	34.6 Å²	34.6	1%	0.014	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	157.3	176.9	48.1	-95.2	0	0	0	112.9	S1815 Y1816 Q1819 P1859 W1860 M1865 G1866 F1868 Y1894 I1897	S1815-Y1863 PolarHBondContact O-N 2.94Å; S1815-Y1863 VanDerWaalsContact O-N 3.12Å; Y1816-Y1863 WeakPolarHBondContact CA-O 3.34Å; Y1816-Y1863 VanDerWaalsContact CB-CD2 3.48Å; Y1816-Y1863 VanDerWaalsContact CB-CE2 3.45Å; Y1816-Y1863 WeakPolarHBondContact CB-O 3.39Å; Y1816-Y1863 HydrophobicContact CD1-CE1 4.29Å; Y1816-Y1863 HydrophobicContact CD1-CE2 4.2Å; Y1816-Y1863 AromaticContact CD1-CZ 3.87Å; Y1816-Y1863 HydrophobicContact CD2-CE2 4.4Å; Y1816-Y1863 HydrophobicContact CG-CD2 4.42Å; Y1816-Y1863 AromaticContact CG-CE2 3.77Å; Y1816-Y1863 HydrophobicContact CG-CE2 3.77Å; Y1816-Y1863 AromaticContact CG-CZ 3.96Å; Q1819-Y1863 HydrophobicContact CB-CE2 4.37Å; Q1819-Y1863 VanDerWaalsContact CD-OH 3.28Å; Q1819-Y1863 VanDerWaalsContact CG-OH 3.31Å; Q1819-Y1863 WeakPolarHBondContact CG-OH 3.39Å; Q1819-Y1863 PolarHBondContact NE2-OH 2.88Å; Q1819-Y1863 VanDerWaalsContact NE2-OH 3.08Å; Q1819-Y1863 PolarHBondContact OE1-OH 3.26Å; P1859-Y1863 WeakPolarHBondContact O-CD1 3.33Å; W1860-Y1863 VanDerWaalsContact O-CE1 3.27Å; W1860-Y1863 WeakPolarHBondContact O-CE1 3.38Å; Y1863-M1865 VanDerWaalsContact CD2-C 3.47Å; Y1863-G1866 VanDerWaalsContact CE2-CA 3.47Å; Y1863-F1868 HydrophobicContact CE1-CE2 4.27Å; Y1863-F1868 AromaticContact CE1-CZ 3.94Å; Y1863-F1868 HydrophobicContact CE1-CZ 4.13Å; Y1863-F1868 HydrophobicContact CE2-CE2 4.27Å; Y1863-F1868 AromaticContact CZ-CE2 3.76Å; Y1863-F1868 AromaticContact CZ-CZ 3.92Å; Y1863-F1868 VanDerWaalsContact OH-CE2 3.31Å; Y1863-F1868 WeakPolarHBondContact OH-CE2 3.21Å; Y1863-Y1894 CarbonylContact C-O 3.47Å; Y1863-Y1894 VanDerWaalsContact CA-O 3.26Å; Y1863-Y1894 WeakPolarHBondContact CA-O 3.36Å; Y1863-Y1894 WeakPolarHBondContact CB-O 3.42Å; Y1863-I1897 HydrophobicContact CD1-CB 4.46Å; Y1863-I1897 HydrophobicContact CD1-CD1 3.5Å; Y1863-I1897 VanDerWaalsContact CD1-CD1 3.47Å; Y1863-I1897 HydrophobicContact CD1-CG1 4.14Å; Y1863-I1897 HydrophobicContact CD1-CG2 3.67Å; Y1863-I1897 HydrophobicContact CD2-CG2 3.67Å; Y1863-I1897 HydrophobicContact CE1-CD1 4.36Å; Y1863-I1897 HydrophobicContact CE1-CG2 4.15Å; Y1863-I1897 HydrophobicContact CE2-CG2 4.14Å; Y1863-I1897 HydrophobicContact CG-CD1 3.84Å; Y1863-I1897 HydrophobicContact CG-CG1 4Å; Y1863-I1897 HydrophobicContact CG-CG2 3.41Å; Y1863-I1897 VanDerWaalsContact CG-CG2 3.41Å
1864	T	91.2	Very high	74.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-55.4	173.5	-54	0	0	0	0	111.4	I1817 I1818 L1841 I1846 F1880 N1882 Y1894 E1895	I1817-T1864 WeakPolarHBondContact CA-O 3.35Å; I1817-T1864 HydrophobicContact CB-CG2 4.22Å; I1817-T1864 WeakPolarHBondContact CB-O 3.43Å; I1817-T1864 HydrophobicContact CG1-CG2 4.09Å; I1817-T1864 PolarHBondContact N-O 3Å; I1817-T1864 VanDerWaalsContact N-O 3.11Å; I1818-T1864 PolarHBondContact N-O 3.22Å; L1841-T1864 HydrophobicContact CB-CG2 4.14Å; L1841-T1864 HydrophobicContact CD2-CG2 3.46Å; L1841-T1864 VanDerWaalsContact CD2-CG2 3.45Å; L1841-T1864 HydrophobicContact CG-CG2 4.42Å; I1846-T1864 HydrophobicContact CD1-CG2 4.3Å; I1846-T1864 WeakPolarHBondContact CD1-OG1 3.39Å; T1864-F1880 HydrophobicContact CG2-CD1 4.17Å; T1864-F1880 HydrophobicContact CG2-CE1 4.34Å; T1864-N1882 VanDerWaalsContact CG2-ND2 3.28Å; T1864-N1882 WeakPolarHBondContact CG2-ND2 3.3Å; T1864-N1882 PolarHBondContact OG1-ND2 3.07Å; T1864-Y1894 PolarHBondContact N-O 2.99Å; T1864-E1895 VanDerWaalsContact CB-O 3.28Å; T1864-E1895 WeakPolarHBondContact CB-O 3.38Å; T1864-E1895 VanDerWaalsContact CB-OE2 3.26Å; T1864-E1895 WeakPolarHBondContact CB-OE2 3.37Å; T1864-E1895 PolarHBondContact OG1-OE2 3.02Å
1865	M	93.2	Very high	77.2	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.3	-178.6	179.2	115.9	174.5	0	0	111.5	I1818 L1820 M1836 Y1863 V1867 I1873 I1875 F1880 E1895 L1896 I1897	I1818-M1865 HydrophobicContact CB-CG 4.37Å; I1818-M1865 HydrophobicContact CB-SD 3.49Å; I1818-M1865 WeakPolarHBondContact CB-SD 3.46Å; I1818-M1865 HydrophobicContact CD1-SD 4.26Å; I1818-M1865 HydrophobicContact CG1-SD 4.41Å; I1818-M1865 HydrophobicContact CG2-CE 4.07Å; I1818-M1865 HydrophobicContact CG2-CG 4.49Å; I1818-M1865 HydrophobicContact CG2-SD 3.44Å; I1818-M1865 WeakPolarHBondContact CG2-SD 3.46Å; I1818-M1865 CarbonylContact O-C 3.54Å; I1818-M1865 VanDerWaalsContact O-CA 3.27Å; I1818-M1865 WeakPolarHBondContact O-CA 3.24Å; L1820-M1865 HydrophobicContact CD1-CE 3.93Å; L1820-M1865 HydrophobicContact CG-CE 3.93Å; M1836-M1865 HydrophobicContact CE-SD 4.08Å; M1836-M1865 HydrophobicContact SD-CE 3.71Å; M1836-M1865 VanDerWaalsContact SD-CE 3.56Å; M1836-M1865 WeakPolarHBondContact SD-CE 3.46Å; M1836-M1865 HydrophobicContact SD-SD 3.64Å; Y1863-M1865 VanDerWaalsContact CD2-C 3.47Å; M1865-V1867 HydrophobicContact CE-CG2 3.88Å; M1865-I1873 HydrophobicContact CE-CD1 4.39Å; M1865-I1873 HydrophobicContact CE-CG2 4.25Å; M1865-I1875 HydrophobicContact CE-CD1 3.89Å; M1865-I1875 VanDerWaalsContact CE-CD1 3.48Å; M1865-I1875 HydrophobicContact CE-CG1 4.16Å; M1865-I1875 HydrophobicContact CG-CD1 4.48Å; M1865-I1875 HydrophobicContact SD-CD1 3.73Å; M1865-I1875 HydrophobicContact SD-CG1 4.43Å; M1865-F1880 HydrophobicContact CB-CE1 4.13Å; M1865-F1880 HydrophobicContact SD-CE1 4.48Å; M1865-F1880 HydrophobicContact SD-CZ 4.28Å; M1865-E1895 PolarHBondContact N-O 3.31Å; M1865-L1896 HydrophobicContact CB-CD1 3.9Å; M1865-L1896 HydrophobicContact CG-CD1 3.68Å; M1865-L1896 CarbonylContact O-C 3.53Å; M1865-L1896 VanDerWaalsContact O-CA 3.32Å; M1865-L1896 WeakPolarHBondContact O-CA 3.25Å; M1865-L1896 HydrophobicContact SD-CD1 3.94Å; M1865-I1897 PolarHBondContact O-N 3.12Å
1866	G	91.7	Very high	79.6	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.8	176.4	0	0	0	0	0	112.4	I1818 Q1819 L1820 Y1863 I1897	I1818-G1866 PolarHBondContact O-N 3.1Å; Q1819-G1866 WeakPolarHBondContact CA-O 3.13Å; L1820-G1866 PolarHBondContact N-O 3.02Å; Y1863-G1866 VanDerWaalsContact CE2-CA 3.47Å; G1866-I1897 VanDerWaalsContact CA-O 3.3Å; G1866-I1897 WeakPolarHBondContact CA-O 3.35Å
1867	V	92.5	Very high	81.9	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.6	175.7	-172	0	0	0	0	109.2	L1820 M1865 Q1871 I1873 I1897 A1898 G1899 I1900 L1909	L1820-V1867 CarbonylContact O-C 3.51Å; L1820-V1867 VanDerWaalsContact O-CA 3.31Å; L1820-V1867 WeakPolarHBondContact O-CA 3.31Å; M1865-V1867 HydrophobicContact CE-CG2 3.88Å; V1867-Q1871 HydrophobicContact CG1-CB 4.47Å; V1867-Q1871 HydrophobicContact CG1-CG 4.44Å; V1867-Q1871 VanDerWaalsContact CG1-O 3.32Å; V1867-Q1871 WeakPolarHBondContact CG1-O 3.26Å; V1867-I1873 HydrophobicContact CB-CG2 4.46Å; V1867-I1873 HydrophobicContact CG1-CG2 4.05Å; V1867-I1873 HydrophobicContact CG2-CG2 3.67Å; V1867-I1897 PolarHBondContact N-O 2.81Å; V1867-A1898 CarbonylContact O-C 3.51Å; V1867-A1898 VanDerWaalsContact O-CA 3.29Å; V1867-A1898 WeakPolarHBondContact O-CA 3.34Å; V1867-G1899 CarbonylContact O-C 3.56Å; V1867-G1899 VanDerWaalsContact O-CA 3.29Å; V1867-G1899 WeakPolarHBondContact O-CA 3.24Å; V1867-G1899 PolarHBondContact O-N 3.15Å; V1867-I1900 HydrophobicContact CB-CD1 4.42Å; V1867-I1900 HydrophobicContact CB-CG1 4.26Å; V1867-I1900 HydrophobicContact CG1-CD1 3.93Å; V1867-I1900 HydrophobicContact CG1-CG1 3.85Å; V1867-I1900 PolarHBondContact O-N 3.42Å; V1867-L1909 HydrophobicContact CG2-CD2 4.42Å
1868	F	88.6	Confident	84.2	Confident	9.2 Å²	9.2	23.2 Å²	23.2	4%	0.04	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154	-170.3	-58	-80.8	0	0	0	113.7	Q1819 L1820 K1821 G1822 W1860 Y1863 I1897 G1899 L1937	Q1819-F1868 HydrophobicContact CG-CD2 4.12Å; Q1819-F1868 HydrophobicContact CG-CE2 4.16Å; L1820-F1868 PolarHBondContact O-N 3.28Å; K1821-F1868 WeakPolarHBondContact CA-O 3.38Å; K1821-F1868 HydrophobicContact CB-CB 4.18Å; K1821-F1868 HydrophobicContact CD-CB 4.39Å; K1821-F1868 HydrophobicContact CG-CB 3.97Å; G1822-F1868 PolarHBondContact N-O 2.99Å; W1860-F1868 HydrophobicContact CD2-CE1 4.08Å; W1860-F1868 AromaticContact CE3-CD1 3.72Å; W1860-F1868 HydrophobicContact CE3-CD1 3.72Å; W1860-F1868 AromaticContact CE3-CE1 3.56Å; W1860-F1868 HydrophobicContact CE3-CE1 4.11Å; W1860-F1868 HydrophobicContact CE3-CG 4.43Å; W1860-F1868 AromaticContact CE3-CZ 3.95Å; W1860-F1868 HydrophobicContact CE3-CZ 4.05Å; W1860-F1868 AromaticContact CH2-CD1 3.86Å; W1860-F1868 HydrophobicContact CH2-CD1 4.15Å; W1860-F1868 AromaticContact CH2-CE1 3.79Å; W1860-F1868 HydrophobicContact CH2-CE1 4.13Å; W1860-F1868 AromaticContact CZ3-CD1 3.44Å; W1860-F1868 HydrophobicContact CZ3-CD1 3.7Å; W1860-F1868 VanDerWaalsContact CZ3-CD1 3.44Å; W1860-F1868 HydrophobicContact CZ3-CD2 4.38Å; W1860-F1868 AromaticContact CZ3-CE1 3.47Å; W1860-F1868 HydrophobicContact CZ3-CE1 3.91Å; W1860-F1868 HydrophobicContact CZ3-CE2 4.16Å; W1860-F1868 HydrophobicContact CZ3-CG 4.07Å; W1860-F1868 AromaticContact CZ3-CZ 3.55Å; W1860-F1868 HydrophobicContact CZ3-CZ 3.55Å; Y1863-F1868 HydrophobicContact CE1-CE2 4.27Å; Y1863-F1868 AromaticContact CE1-CZ 3.94Å; Y1863-F1868 HydrophobicContact CE1-CZ 4.13Å; Y1863-F1868 HydrophobicContact CE2-CE2 4.27Å; Y1863-F1868 AromaticContact CZ-CE2 3.76Å; Y1863-F1868 AromaticContact CZ-CZ 3.92Å; Y1863-F1868 VanDerWaalsContact OH-CE2 3.31Å; Y1863-F1868 WeakPolarHBondContact OH-CE2 3.21Å; F1868-I1897 HydrophobicContact CE1-CD1 4.32Å; F1868-I1897 HydrophobicContact CE1-CG1 4.06Å; F1868-I1897 HydrophobicContact CE1-CG2 4.07Å; F1868-I1897 HydrophobicContact CE2-CG2 4.36Å; F1868-I1897 HydrophobicContact CZ-CB 4.38Å; F1868-I1897 HydrophobicContact CZ-CD1 4.25Å; F1868-I1897 HydrophobicContact CZ-CG1 4.14Å; F1868-I1897 HydrophobicContact CZ-CG2 3.94Å; F1868-G1899 CarbonylContact C-O 3.55Å; F1868-G1899 WeakPolarHBondContact CA-O 3.32Å; F1868-L1937 HydrophobicContact CE1-CD2 4.46Å
1869	G	85.9	Confident	86	Confident	11.8 Å²	11.8	21.4 Å²	21.4	12%	0.122	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.6	-133.6	172.4	0	0	0	0	0	112.8	G1822 Q1871 G1899 I1900 Q1901	G1822-G1869 CarbonylContact O-C 3.56Å; G1822-G1869 VanDerWaalsContact O-CA 3.24Å; G1822-G1869 WeakPolarHBondContact O-CA 3.37Å; G1869-Q1871 VanDerWaalsContact C-N 3.33Å; G1869-Q1871 PolarHBondContact O-N 2.88Å; G1869-G1899 PolarHBondContact N-O 2.9Å; G1869-I1900 CarbonylContact O-C 3.57Å; G1869-I1900 VanDerWaalsContact O-CA 3.27Å; G1869-I1900 WeakPolarHBondContact O-CA 3.38Å; G1869-I1900 WeakPolarHBondContact O-CG2 3.44Å; G1869-Q1901 PolarHBondContact O-N 3.03Å
1870	T	86.4	Confident	87.6	Confident	15.8 Å²	15.8	20.8 Å²	20.8	10%	0.097	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-13.7	-177.9	57.6	0	0	0	0	114	G1822 G1824 Q1825 N1872 C2410	G1822-T1870 VanDerWaalsContact CA-OG1 3.29Å; G1822-T1870 WeakPolarHBondContact CA-OG1 3.26Å; G1822-T1870 PolarHBondContact O-N 3.17Å; G1822-T1870 PolarHBondContact O-OG1 3.15Å; G1824-T1870 PolarHBondContact O-OG1 3.16Å; G1824-T1870 VanDerWaalsContact O-OG1 3.08Å; Q1825-T1870 HydrophobicContact CG-CG2 3.79Å; T1870-N1872 PolarHBondContact O-N 3.17Å; T1870-C2410 HydrophobicContact CG2-CB 4.34Å; T1870-C2410 WeakPolarHBondContact CG2-O 3.31Å
1871	Q	88.9	Confident	89	Confident	5.4 Å²	5.4	19.1 Å²	19.1	3%	0.025	10%	0.096	C	C	.	.			trans	-72	124.5	-176.1	-174.7	66.3	56.4	0	0	110.9	R1799 I1801 L1820 S1834 V1867 G1869 I1900	R1799-Q1871 PolarHBondContact O-NE2 3.09Å; R1799-Q1871 PolarHBondContact O-OE1 2.99Å; I1801-Q1871 HydrophobicContact CD1-CG 4.42Å; L1820-Q1871 HydrophobicContact CB-CG 4.22Å; S1834-Q1871 PolarHBondContact OG-NE2 3.23Å; V1867-Q1871 HydrophobicContact CG1-CB 4.47Å; V1867-Q1871 HydrophobicContact CG1-CG 4.44Å; V1867-Q1871 VanDerWaalsContact CG1-O 3.32Å; V1867-Q1871 WeakPolarHBondContact CG1-O 3.26Å; G1869-Q1871 VanDerWaalsContact C-N 3.33Å; G1869-Q1871 PolarHBondContact O-N 2.88Å; Q1871-I1900 WeakPolarHBondContact O-CD1 3.35Å; Q1871-I1900 WeakPolarHBondContact O-CG1 3.28Å
1872	N	88.1	Confident	90.1	Very high	77.6 Å²	77.6	17.1 Å²	17.1	42%	0.415	9%	0.087	S	C	.	.			trans	-112.9	148.2	172.8	-164.3	1.2	0	0	0	110.7	S1834 T1870 I1900	S1834-N1872 WeakPolarHBondContact CB-O 3.45Å; T1870-N1872 PolarHBondContact O-N 3.17Å; N1872-I1900 HydrophobicContact CB-CD1 4.33Å
1873	I	92.5	Very high	90.2	Very high	1.6 Å²	1.6	16.6 Å²	16.6	1%	0.008	8%	0.084	C	C	.	.			trans	-154.6	144.5	-178.8	-171	162.9	0	0	0	111.2	I1801 L1803 L1820 S1834 M1836 M1865 V1867 I1875 L1909	I1801-I1873 HydrophobicContact CG2-CD1 4.36Å; L1803-I1873 HydrophobicContact CD1-CD1 4.41Å; L1820-I1873 HydrophobicContact CD1-CD1 3.66Å; L1820-I1873 HydrophobicContact CD1-CG2 4.44Å; S1834-I1873 WeakPolarHBondContact O-CA 3.27Å; M1836-I1873 HydrophobicContact CB-CD1 3.95Å; M1836-I1873 HydrophobicContact CB-CG1 4.41Å; M1865-I1873 HydrophobicContact CE-CD1 4.39Å; M1865-I1873 HydrophobicContact CE-CG2 4.25Å; V1867-I1873 HydrophobicContact CB-CG2 4.46Å; V1867-I1873 HydrophobicContact CG1-CG2 4.05Å; V1867-I1873 HydrophobicContact CG2-CG2 3.67Å; I1873-I1875 HydrophobicContact CG2-CD1 4.31Å; I1873-I1875 HydrophobicContact CG2-CG1 4.11Å; I1873-L1909 HydrophobicContact CG2-CD1 4.29Å; I1873-L1909 WeakPolarHBondContact O-CD1 3.44Å
1874	T	94.3	Very high	89.3	Confident	38.4 Å²	38.4	21.3 Å²	21.3	24%	0.236	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.3	172.4	-57.3	0	0	0	0	110	S1834 F1835 M1836 R1876 D1910	S1834-T1874 PolarHBondContact O-N 3.07Å; F1835-T1874 CarbonylContact C-O 3.42Å; F1835-T1874 WeakPolarHBondContact CA-O 3.36Å; F1835-T1874 HydrophobicContact CD1-CG2 4.36Å; F1835-T1874 HydrophobicContact CE1-CG2 4.48Å; M1836-T1874 PolarHBondContact N-O 3.03Å; T1874-R1876 HydrophobicContact CG2-CG 4.05Å; T1874-D1910 HydrophobicContact CG2-CB 4.21Å
1875	I	94.7	Very high	87.6	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	107.2	-175.3	-52.5	172.3	0	0	0	108.9	M1836 M1865 I1873 N1878 F1880 L1896 L1909 D1910 A1911 N1914	M1836-I1875 HydrophobicContact CB-CG1 4.35Å; M1836-I1875 HydrophobicContact CB-CG2 4.46Å; M1836-I1875 HydrophobicContact CG-CG2 4.47Å; M1836-I1875 WeakPolarHBondContact O-CA 3.38Å; M1836-I1875 HydrophobicContact SD-CG2 4.26Å; M1865-I1875 HydrophobicContact CE-CD1 3.89Å; M1865-I1875 VanDerWaalsContact CE-CD1 3.48Å; M1865-I1875 HydrophobicContact CE-CG1 4.16Å; M1865-I1875 HydrophobicContact CG-CD1 4.48Å; M1865-I1875 HydrophobicContact SD-CD1 3.73Å; M1865-I1875 HydrophobicContact SD-CG1 4.43Å; I1873-I1875 HydrophobicContact CG2-CD1 4.31Å; I1873-I1875 HydrophobicContact CG2-CG1 4.11Å; I1875-N1878 VanDerWaalsContact CG2-ND2 3.33Å; I1875-N1878 WeakPolarHBondContact CG2-ND2 3.28Å; I1875-F1880 HydrophobicContact CG2-CE2 4.24Å; I1875-F1880 HydrophobicContact CG2-CZ 4.22Å; I1875-L1896 HydrophobicContact CD1-CD1 3.82Å; I1875-L1896 HydrophobicContact CD1-CD2 4.06Å; I1875-L1909 HydrophobicContact CD1-CD2 4.11Å; I1875-L1909 HydrophobicContact CD1-CG 4.48Å; I1875-D1910 PolarHBondContact N-O 2.95Å; I1875-A1911 HydrophobicContact CB-CB 4.5Å; I1875-A1911 CarbonylContact O-C 3.54Å; I1875-A1911 VanDerWaalsContact O-CA 3.24Å; I1875-A1911 WeakPolarHBondContact O-CA 3.33Å; I1875-N1914 PolarHBondContact O-ND2 3.16Å
1876	R	92.7	Very high	85.7	Confident	82.6 Å²	82.6	27.9 Å²	27.9	31%	0.312	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.5	-179.5	-64.6	-175.3	168.9	153.4	-4.6	112.7	M1836 Q1837 T1874 N1878 D1910 Q1912 Q1913 N1914	M1836-R1876 PolarHBondContact O-N 3.28Å; Q1837-R1876 WeakPolarHBondContact CA-O 3.31Å; Q1837-R1876 VanDerWaalsContact CB-O 3.29Å; Q1837-R1876 WeakPolarHBondContact CB-O 3.28Å; T1874-R1876 HydrophobicContact CG2-CG 4.05Å; R1876-N1878 VanDerWaalsContact C-N 3.31Å; R1876-N1878 PolarHBondContact N-ND2 2.99Å; R1876-N1878 PolarHBondContact O-N 3.05Å; R1876-N1878 PolarHBondContact O-ND2 3.01Å; R1876-N1878 VanDerWaalsContact O-ND2 3.09Å; R1876-D1910 IonicContact CZ-OD1 3.47Å; R1876-D1910 IonicContact CZ-OD2 3.35Å; R1876-D1910 VanDerWaalsContact CZ-OD2 3.23Å; R1876-D1910 IonicContact NE-OD1 3.03Å; R1876-D1910 PolarHBondContact NE-OD1 3.22Å; R1876-D1910 IonicContact NE-OD2 3.29Å; R1876-D1910 PolarHBondContact NE-OD2 3.06Å; R1876-D1910 VanDerWaalsContact NE-OD2 3.09Å; R1876-D1910 IonicContact NH1-OD1 3.76Å; R1876-D1910 IonicContact NH1-OD2 3.36Å; R1876-D1910 PolarHBondContact NH1-OD2 3.22Å; R1876-D1910 VanDerWaalsContact NH2-CG 3.27Å; R1876-D1910 IonicContact NH2-OD1 3.25Å; R1876-D1910 PolarHBondContact NH2-OD1 3.05Å; R1876-D1910 VanDerWaalsContact NH2-OD1 3.13Å; R1876-D1910 IonicContact NH2-OD2 3.17Å; R1876-D1910 PolarHBondContact NH2-OD2 3.19Å; R1876-Q1912 WeakPolarHBondContact CA-O 3.38Å; R1876-Q1912 WeakPolarHBondContact CG-O 3.24Å; R1876-Q1912 VanDerWaalsContact NH2-OE1 3.15Å; R1876-Q1913 VanDerWaalsContact CD-OE1 3.3Å; R1876-N1914 VanDerWaalsContact C-OD1 3.23Å; R1876-N1914 WeakPolarHBondContact CA-OD1 3.32Å
1877	H	91.7	Very high	83.6	Confident	66.8 Å²	66.8	32.5 Å²	32.5	31%	0.309	18%	0.179	S	C	.	.	S	Bend	trans	61.4	29.9	176.9	-51.2	96.6	0	0	0	114.9	K1838 Q1913 N1914	K1838-H1877 WeakPolarHBondContact CA-O 3.32Å; K1838-H1877 HydrophobicContact CG-CB 4.43Å; K1838-H1877 PolarHBondContact N-O 3.01Å; K1838-H1877 VanDerWaalsContact N-O 3.12Å; H1877-Q1913 WeakPolarHBondContact CA-O 3.39Å; H1877-Q1913 PolarHBondContact CE1-OE1 3.07Å; H1877-Q1913 VanDerWaalsContact CE1-OE1 3.29Å; H1877-Q1913 PolarHBondContact N-O 3.04Å; H1877-Q1913 PolarHBondContact NE2-OE1 3.26Å; H1877-N1914 PolarHBondContact N-OD1 3.05Å; H1877-N1914 VanDerWaalsContact N-OD1 3.13Å
1878	N	93.6	Very high	81.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.			trans	-100.6	160.1	175.2	-53.4	-80.7	0	0	0	111.4	M1836 Q1837 K1838 N1839 I1875 R1876 F1880 N1914 Y1915	M1836-N1878 PolarHBondContact O-ND2 2.96Å; Q1837-N1878 VanDerWaalsContact C-OD1 3.24Å; Q1837-N1878 VanDerWaalsContact CA-OD1 3.3Å; Q1837-N1878 WeakPolarHBondContact CA-OD1 3.31Å; Q1837-N1878 PolarHBondContact N-OD1 2.96Å; K1838-N1878 PolarHBondContact N-OD1 3.11Å; N1839-N1878 WeakPolarHBondContact CB-OD1 3.26Å; N1839-N1878 PolarHBondContact N-OD1 2.88Å; N1839-N1878 PolarHBondContact ND2-OD1 3.1Å; N1839-N1878 CarbonylContact O-C 3.45Å; N1839-N1878 VanDerWaalsContact O-CA 3.31Å; N1839-N1878 WeakPolarHBondContact O-CA 3.23Å; N1839-N1878 WeakPolarHBondContact O-CB 3.21Å; I1875-N1878 VanDerWaalsContact CG2-ND2 3.33Å; I1875-N1878 WeakPolarHBondContact CG2-ND2 3.28Å; R1876-N1878 VanDerWaalsContact C-N 3.31Å; R1876-N1878 PolarHBondContact N-ND2 2.99Å; R1876-N1878 PolarHBondContact O-N 3.05Å; R1876-N1878 PolarHBondContact O-ND2 3.01Å; R1876-N1878 VanDerWaalsContact O-ND2 3.09Å; N1878-F1880 HydrophobicContact CB-CD2 4.42Å; N1878-F1880 HydrophobicContact CB-CE2 3.84Å; N1878-F1880 HydrophobicContact CB-CZ 4.37Å; N1878-N1914 WeakPolarHBondContact CB-OD1 3.25Å; N1878-N1914 PolarHBondContact N-OD1 3.03Å; N1878-N1914 PolarHBondContact ND2-OD1 3.1Å; N1878-N1914 VanDerWaalsContact ND2-OD1 3.09Å; N1878-N1914 CarbonylContact O-C 3.54Å; N1878-N1914 WeakPolarHBondContact O-CA 3.33Å; N1878-Y1915 PolarHBondContact O-N 3.04Å
1879	S	92.6	Very high	79.4	Confident	0.2 Å²	0.2	42.9 Å²	42.9	0%	0.001	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120	173	-156.6	0	0	0	0	110.8	N1839 L1841 E1881 Y1915 F1949	N1839-S1879 PolarHBondContact O-N 2.96Å; L1841-S1879 PolarHBondContact N-O 3.03Å; S1879-E1881 PolarHBondContact OG-OE1 3.07Å; S1879-E1881 VanDerWaalsContact OG-OE1 3.12Å; S1879-Y1915 WeakPolarHBondContact OG-CD1 3.3Å; S1879-F1949 VanDerWaalsContact OG-CD2 3.24Å; S1879-F1949 WeakPolarHBondContact OG-CD2 3.41Å
1880	F	92.5	Very high	77.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.9	174.3	-67.1	-86.9	0	0	0	109.4	M1836 L1841 T1864 M1865 I1875 N1878 E1895 N1914 Y1915 W1916 A1917	M1836-F1880 HydrophobicContact CE-CZ 4.38Å; L1841-F1880 HydrophobicContact CD1-CD1 4.34Å; L1841-F1880 HydrophobicContact CD1-CE1 4.11Å; L1841-F1880 HydrophobicContact CD1-CZ 4.48Å; L1841-F1880 HydrophobicContact CD2-CE1 4.39Å; T1864-F1880 HydrophobicContact CG2-CD1 4.17Å; T1864-F1880 HydrophobicContact CG2-CE1 4.34Å; M1865-F1880 HydrophobicContact CB-CE1 4.13Å; M1865-F1880 HydrophobicContact SD-CE1 4.48Å; M1865-F1880 HydrophobicContact SD-CZ 4.28Å; I1875-F1880 HydrophobicContact CG2-CE2 4.24Å; I1875-F1880 HydrophobicContact CG2-CZ 4.22Å; N1878-F1880 HydrophobicContact CB-CD2 4.42Å; N1878-F1880 HydrophobicContact CB-CE2 3.84Å; N1878-F1880 HydrophobicContact CB-CZ 4.37Å; F1880-E1895 HydrophobicContact CB-CB 4.19Å; F1880-E1895 HydrophobicContact CB-CG 4.1Å; F1880-E1895 HydrophobicContact CD1-CB 4.25Å; F1880-E1895 HydrophobicContact CG-CB 4.43Å; F1880-N1914 HydrophobicContact CD2-CB 4.35Å; F1880-N1914 HydrophobicContact CE2-CB 4.33Å; F1880-Y1915 PolarHBondContact N-O 3.09Å; F1880-W1916 HydrophobicContact CB-CE3 3.92Å; F1880-W1916 HydrophobicContact CB-CZ3 4.22Å; F1880-W1916 HydrophobicContact CD1-CZ3 4.4Å; F1880-W1916 HydrophobicContact CD2-CD2 4.46Å; F1880-W1916 AromaticContact CD2-CE3 3.91Å; F1880-W1916 HydrophobicContact CD2-CE3 3.91Å; F1880-W1916 AromaticContact CD2-CH2 3.98Å; F1880-W1916 HydrophobicContact CD2-CH2 4.04Å; F1880-W1916 AromaticContact CD2-CZ3 3.66Å; F1880-W1916 HydrophobicContact CD2-CZ3 3.66Å; F1880-W1916 AromaticContact CE2-CH2 3.99Å; F1880-W1916 HydrophobicContact CE2-CH2 4.04Å; F1880-W1916 HydrophobicContact CE2-CZ3 4.07Å; F1880-W1916 HydrophobicContact CG-CE3 4.03Å; F1880-W1916 AromaticContact CG-CZ3 3.85Å; F1880-W1916 HydrophobicContact CG-CZ3 3.85Å; F1880-W1916 CarbonylContact O-C 3.49Å; F1880-A1917 WeakPolarHBondContact O-CB 3.36Å; F1880-A1917 PolarHBondContact O-N 3.12Å
1881	E	89.4	Confident	76.5	Confident	24 Å²	24	51.1 Å²	51.1	11%	0.112	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	49.6	-174.3	-60.6	-171.3	-121.5	0	0	112.2	L1841 Q1842 D1843 S1879 K1884 Y1915 A1917	L1841-E1881 PolarHBondContact O-N 3.14Å; Q1842-E1881 HydrophobicContact CB-CB 4.3Å; Q1842-E1881 HydrophobicContact CG-CB 4.05Å; D1843-E1881 PolarHBondContact N-O 3Å; D1843-E1881 VanDerWaalsContact N-O 3.09Å; S1879-E1881 PolarHBondContact OG-OE1 3.07Å; S1879-E1881 VanDerWaalsContact OG-OE1 3.12Å; E1881-K1884 HydrophobicContact CB-CD 4.48Å; E1881-K1884 WeakPolarHBondContact OE2-CE 3.43Å; E1881-K1884 IonicContact OE2-NZ 3.26Å; E1881-K1884 PolarHBondContact OE2-NZ 2.96Å; E1881-Y1915 VanDerWaalsContact CD-CE1 3.48Å; E1881-Y1915 HydrophobicContact CG-CD1 4.04Å; E1881-Y1915 HydrophobicContact CG-CE1 3.87Å; E1881-Y1915 VanDerWaalsContact OE1-CE1 3.29Å; E1881-Y1915 WeakPolarHBondContact OE1-CE1 3.32Å; E1881-A1917 HydrophobicContact CB-CB 4.39Å; E1881-A1917 HydrophobicContact CG-CB 4.08Å
1882	N	87.1	Confident	75.4	Confident	8 Å²	8	53 Å²	53	4%	0.043	29%	0.29	C	S	.	.	S	Bend	trans	-104.9	-33.1	179.2	-54.1	-63.3	0	0	0	111.8	L1841 Q1842 D1843 N1844 I1846 T1864 K1884 E1895	L1841-N1882 PolarHBondContact O-ND2 3Å; L1841-N1882 VanDerWaalsContact O-ND2 3.08Å; L1841-N1882 PolarHBondContact O-OD1 2.99Å; Q1842-N1882 VanDerWaalsContact C-OD1 3.23Å; Q1842-N1882 WeakPolarHBondContact CA-OD1 3.34Å; Q1842-N1882 PolarHBondContact N-OD1 3.3Å; D1843-N1882 PolarHBondContact N-OD1 3.17Å; N1844-N1882 VanDerWaalsContact CB-OD1 3.28Å; N1844-N1882 WeakPolarHBondContact CB-OD1 3.3Å; N1844-N1882 PolarHBondContact N-OD1 3.13Å; N1844-N1882 PolarHBondContact ND2-OD1 3.24Å; I1846-N1882 HydrophobicContact CD1-CB 3.98Å; I1846-N1882 HydrophobicContact CG1-CB 4.48Å; T1864-N1882 VanDerWaalsContact CG2-ND2 3.28Å; T1864-N1882 WeakPolarHBondContact CG2-ND2 3.3Å; T1864-N1882 PolarHBondContact OG1-ND2 3.07Å; N1882-K1884 VanDerWaalsContact C-N 3.3Å; N1882-K1884 PolarHBondContact O-N 3.19Å; N1882-E1895 WeakPolarHBondContact CA-OE1 3.4Å; N1882-E1895 WeakPolarHBondContact CB-OE1 3.36Å; N1882-E1895 PolarHBondContact N-OE1 2.94Å; N1882-E1895 PolarHBondContact ND2-OE2 3.13Å
1883	C	79.3	Confident	74.9	Confident	3.8 Å²	3.8	50 Å²	50	3%	0.026	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-80.1	2	-176.3	-64.3	0	0	0	0	115.7	S1885 I1886 C1893 E1895 H1927	C1883-S1885 VanDerWaalsContact C-N 3.3Å; C1883-S1885 PolarHBondContact O-N 3.06Å; C1883-I1886 VanDerWaalsContact O-CD1 3.28Å; C1883-I1886 WeakPolarHBondContact O-CD1 3.43Å; C1883-I1886 WeakPolarHBondContact O-CG1 3.44Å; C1883-I1886 PolarHBondContact O-N 2.94Å; C1883-C1893 WeakPolarHBondContact CA-SG 3.33Å; C1883-C1893 HydrophobicContact CB-CB 3.74Å; C1883-C1893 WeakPolarHBondContact CB-SG 3.32Å; C1883-C1893 WeakPolarHBondContact SG-CB 3.37Å; C1883-C1893 PolarHBondContact SG-O 3.24Å; C1883-C1893 VanDerWaalsContact SG-O 3.38Å; C1883-C1893 CovalentContact SG-SG 2.04Å; C1883-C1893 PolarHBondContact SG-SG 3.02Å; C1883-E1895 HydrophobicContact CB-CG 4.43Å; C1883-E1895 PolarHBondContact N-OE1 2.87Å; C1883-H1927 WeakPolarHBondContact CB-CE1 3.46Å; C1883-H1927 WeakPolarHBondContact CB-ND1 3.45Å
1884	K	68.7	Low	74.6	Confident	102.6 Å²	102.6	51.7 Å²	51.7	45%	0.446	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-61.7	-34.8	-179.7	-78.7	178.7	172.5	172.7	0	113.9	E1881 N1882 I1886 S1887 A1917	E1881-K1884 HydrophobicContact CB-CD 4.48Å; E1881-K1884 WeakPolarHBondContact OE2-CE 3.43Å; E1881-K1884 IonicContact OE2-NZ 3.26Å; E1881-K1884 PolarHBondContact OE2-NZ 2.96Å; N1882-K1884 VanDerWaalsContact C-N 3.3Å; N1882-K1884 PolarHBondContact O-N 3.19Å; K1884-I1886 PolarHBondContact O-N 3.02Å; K1884-S1887 PolarHBondContact O-OG 2.92Å; K1884-S1887 VanDerWaalsContact O-OG 3.07Å; K1884-A1917 HydrophobicContact CD-CB 4.1Å; K1884-A1917 WeakPolarHBondContact CE-O 3.36Å; K1884-A1917 HydrophobicContact CG-CB 3.81Å
1885	S	55	Low	74.4	Confident	94.4 Å²	94.4	49.9 Å²	49.9	66%	0.66	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-91	-9.9	-171.5	-167.2	0	0	0	0	114.3	C1883 S1887	C1883-S1885 VanDerWaalsContact C-N 3.3Å; C1883-S1885 PolarHBondContact O-N 3.06Å; S1885-S1887 VanDerWaalsContact C-N 3.33Å; S1885-S1887 PolarHBondContact O-N 3.21Å
1886	I	54	Low	74.3	Confident	43 Å²	43	49.9 Å²	49.9	22%	0.221	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-80.9	-14.5	-171.2	-68.5	161.3	0	0	0	112.8	I1846 C1883 K1884 V1888 N1889 H1891 C1893	I1846-I1886 HydrophobicContact CG1-CD1 4.2Å; C1883-I1886 VanDerWaalsContact O-CD1 3.28Å; C1883-I1886 WeakPolarHBondContact O-CD1 3.43Å; C1883-I1886 WeakPolarHBondContact O-CG1 3.44Å; C1883-I1886 PolarHBondContact O-N 2.94Å; K1884-I1886 PolarHBondContact O-N 3.02Å; I1886-V1888 VanDerWaalsContact C-N 3.28Å; I1886-V1888 PolarHBondContact O-N 3.03Å; I1886-V1888 VanDerWaalsContact O-N 3.15Å; I1886-N1889 PolarHBondContact O-N 2.87Å; I1886-N1889 VanDerWaalsContact O-N 3.11Å; I1886-H1891 HydrophobicContact CG2-CB 4Å; I1886-C1893 HydrophobicContact CB-CB 4.33Å; I1886-C1893 HydrophobicContact CD1-CB 4.29Å; I1886-C1893 HydrophobicContact CG2-CB 4.18Å
1887	S	48	Very low	74.3	Confident	98.2 Å²	98.2	46.1 Å²	46.1	69%	0.687	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-60.2	-13.1	-178.4	63.3	0	0	0	0	115.3	K1884 S1885	K1884-S1887 PolarHBondContact O-OG 2.92Å; K1884-S1887 VanDerWaalsContact O-OG 3.07Å; S1885-S1887 VanDerWaalsContact C-N 3.33Å; S1885-S1887 PolarHBondContact O-N 3.21Å
1888	V	45.6	Very low	74.1	Confident	115.8 Å²	115.8	42.9 Å²	42.9	70%	0.702	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-82.1	-27.4	-178.6	-173.1	0	0	0	0	113.1	I1886	I1886-V1888 VanDerWaalsContact C-N 3.28Å; I1886-V1888 PolarHBondContact O-N 3.03Å; I1886-V1888 VanDerWaalsContact O-N 3.15Å
1889	N	45.9	Very low	73.7	Confident	111.2 Å²	111.2	43.4 Å²	43.4	60%	0.595	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.8	17.5	-167.1	-72.5	-12.2	0	0	0	115.6	I1886 H1891	I1886-N1889 PolarHBondContact O-N 2.87Å; I1886-N1889 VanDerWaalsContact O-N 3.11Å; N1889-H1891 PolarHBondContact O-CE1 3.04Å; N1889-H1891 PolarHBondContact O-N 2.91Å; N1889-H1891 VanDerWaalsContact O-N 3.13Å; N1889-H1891 PolarHBondContact O-ND1 3Å
1890	N	52.1	Low	73.4	Confident	135.8 Å²	135.8	43.7 Å²	43.7	73%	0.726	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	15	178.1	-86.3	4	0	0	0	116.5	Q2052 S2055 M2056	N1890-Q2052 PolarHBondContact ND2-O 2.8Å; N1890-Q2052 VanDerWaalsContact ND2-O 3.17Å; N1890-S2055 PolarHBondContact ND2-OG 3.2Å; N1890-S2055 PolarHBondContact O-OG 2.74Å; N1890-M2056 WeakPolarHBondContact O-CE 3.47Å; N1890-M2056 VanDerWaalsContact O-SD 3.39Å
1891	H	58.9	Low	72.9	Confident	63.8 Å²	63.8	47.6 Å²	47.6	30%	0.295	27%	0.266	S	S	.	.			trans	-93.1	134.2	176.8	-71.9	74	0	0	0	109.9	S1850 F1854 I1886 N1889 C1893	S1850-H1891 VanDerWaalsContact CB-NE2 3.32Å; S1850-H1891 WeakPolarHBondContact CB-NE2 3.38Å; S1850-H1891 PolarHBondContact OG-CD2 3.3Å; S1850-H1891 VanDerWaalsContact OG-CD2 3.3Å; S1850-H1891 PolarHBondContact OG-CE1 3.24Å; S1850-H1891 PolarHBondContact OG-ND1 2.02Å; S1850-H1891 PolarHBondContact OG-NE2 3.11Å; F1854-H1891 AromaticContact CE2-CD2 3.38Å; F1854-H1891 WeakPolarHBondContact CE2-CD2 3.32Å; F1854-H1891 AromaticContact CE2-NE2 3.43Å; F1854-H1891 WeakPolarHBondContact CE2-NE2 3.35Å; F1854-H1891 AromaticContact CZ-CD2 3.8Å; I1886-H1891 HydrophobicContact CG2-CB 4Å; N1889-H1891 PolarHBondContact O-CE1 3.04Å; N1889-H1891 PolarHBondContact O-N 2.91Å; N1889-H1891 VanDerWaalsContact O-N 3.13Å; N1889-H1891 PolarHBondContact O-ND1 3Å; H1891-C1893 PolarHBondContact O-N 3.08Å
1892	P	66.8	Low	72.3	Confident	44.4 Å²	44.4	48.2 Å²	48.2	29%	0.288	27%	0.273	S	S	.	.			trans	-65.6	130.7	175.9	27.6	-32.7	0	0	0	109.9	M1857 Y1894 M2056	M1857-P1892 HydrophobicContact CB-CG 4.26Å; M1857-P1892 HydrophobicContact CG-CG 4.11Å; M1857-P1892 HydrophobicContact SD-CG 4.4Å; P1892-Y1894 HydrophobicContact CB-CE1 4.41Å; P1892-Y1894 HydrophobicContact CB-CE2 4.02Å; P1892-Y1894 HydrophobicContact CG-CE2 4.23Å; P1892-M2056 HydrophobicContact CG-CE 3.77Å
1893	C	77.1	Confident	71.8	Confident	15.6 Å²	15.6	51.6 Å²	51.6	11%	0.105	29%	0.29	C	S	.	.			trans	-118.5	124.2	176.5	-178.7	0	0	0	0	109.1	C1883 I1886 H1891 H1927	C1883-C1893 WeakPolarHBondContact CA-SG 3.33Å; C1883-C1893 HydrophobicContact CB-CB 3.74Å; C1883-C1893 WeakPolarHBondContact CB-SG 3.32Å; C1883-C1893 WeakPolarHBondContact SG-CB 3.37Å; C1883-C1893 PolarHBondContact SG-O 3.24Å; C1883-C1893 VanDerWaalsContact SG-O 3.38Å; C1883-C1893 CovalentContact SG-SG 2.04Å; C1883-C1893 PolarHBondContact SG-SG 3.02Å; I1886-C1893 HydrophobicContact CB-CB 4.33Å; I1886-C1893 HydrophobicContact CD1-CB 4.29Å; I1886-C1893 HydrophobicContact CG2-CB 4.18Å; H1891-C1893 PolarHBondContact O-N 3.08Å; C1893-H1927 PolarHBondContact O-ND1 3.49Å; C1893-H1927 VanDerWaalsContact O-ND1 3.08Å
1894	Y	86.6	Confident	71.6	Confident	37.6 Å²	37.6	56.8 Å²	56.8	15%	0.147	31%	0.314	C	S	.	.			trans	-115.3	124.5	-178.2	-56.6	-61.6	0	0	0	110.8	P1859 Y1863 T1864 P1892 I1897 H1927 F1929	P1859-Y1894 HydrophobicContact CB-CD2 4.3Å; P1859-Y1894 HydrophobicContact CB-CE2 4.21Å; Y1863-Y1894 CarbonylContact C-O 3.47Å; Y1863-Y1894 VanDerWaalsContact CA-O 3.26Å; Y1863-Y1894 WeakPolarHBondContact CA-O 3.36Å; Y1863-Y1894 WeakPolarHBondContact CB-O 3.42Å; T1864-Y1894 PolarHBondContact N-O 2.99Å; P1892-Y1894 HydrophobicContact CB-CE1 4.41Å; P1892-Y1894 HydrophobicContact CB-CE2 4.02Å; P1892-Y1894 HydrophobicContact CG-CE2 4.23Å; Y1894-I1897 HydrophobicContact CD2-CD1 4.35Å; Y1894-I1897 HydrophobicContact CG-CD1 4.31Å; Y1894-H1927 CarbonylContact C-O 3.53Å; Y1894-H1927 WeakPolarHBondContact CA-O 3.33Å; Y1894-F1929 HydrophobicContact CD1-CB 3.89Å; Y1894-F1929 HydrophobicContact CD1-CD2 4.24Å; Y1894-F1929 HydrophobicContact CD1-CG 4.46Å; Y1894-F1929 HydrophobicContact CD2-CB 4.43Å; Y1894-F1929 HydrophobicContact CE1-CB 4.17Å; Y1894-F1929 AromaticContact CE1-CD2 3.65Å; Y1894-F1929 HydrophobicContact CE1-CD2 3.65Å; Y1894-F1929 HydrophobicContact CE1-CE2 4.49Å; Y1894-F1929 HydrophobicContact CE1-CG 4.36Å; Y1894-F1929 AromaticContact CE2-CD2 3.97Å; Y1894-F1929 HydrophobicContact CE2-CD2 4.02Å; Y1894-F1929 HydrophobicContact CE2-CG 4.45Å; Y1894-F1929 HydrophobicContact CG-CB 4.1Å; Y1894-F1929 AromaticContact CZ-CD2 3.51Å; Y1894-F1929 VanDerWaalsContact CZ-CD2 3.48Å
1895	E	90.7	Very high	71.8	Confident	0.8 Å²	0.8	54.2 Å²	54.2	0%	0.004	30%	0.304	C	S	.	.	S	Bend	trans	-80.3	-37.4	173.8	-66.4	-70.7	-177.9	0	0	111.7	T1864 M1865 F1880 N1882 C1883 W1916 H1927	T1864-E1895 VanDerWaalsContact CB-O 3.28Å; T1864-E1895 WeakPolarHBondContact CB-O 3.38Å; T1864-E1895 VanDerWaalsContact CB-OE2 3.26Å; T1864-E1895 WeakPolarHBondContact CB-OE2 3.37Å; T1864-E1895 PolarHBondContact OG1-OE2 3.02Å; M1865-E1895 PolarHBondContact N-O 3.31Å; F1880-E1895 HydrophobicContact CB-CB 4.19Å; F1880-E1895 HydrophobicContact CB-CG 4.1Å; F1880-E1895 HydrophobicContact CD1-CB 4.25Å; F1880-E1895 HydrophobicContact CG-CB 4.43Å; N1882-E1895 WeakPolarHBondContact CA-OE1 3.4Å; N1882-E1895 WeakPolarHBondContact CB-OE1 3.36Å; N1882-E1895 PolarHBondContact N-OE1 2.94Å; N1882-E1895 PolarHBondContact ND2-OE2 3.13Å; C1883-E1895 HydrophobicContact CB-CG 4.43Å; C1883-E1895 PolarHBondContact N-OE1 2.87Å; E1895-W1916 HydrophobicContact CB-CE3 4.01Å; E1895-W1916 HydrophobicContact CB-CZ3 3.81Å; E1895-W1916 HydrophobicContact CG-CE3 4.47Å; E1895-H1927 HydrophobicContact CB-CB 4.45Å; E1895-H1927 HydrophobicContact CG-CB 4.04Å; E1895-H1927 PolarHBondContact N-O 2.98Å
1896	L	92.5	Very high	72.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132.2	-178.8	-176.3	63.5	0	0	0	112.2	M1865 I1875 L1909 A1911 W1916 F1929 I1940	M1865-L1896 HydrophobicContact CB-CD1 3.9Å; M1865-L1896 HydrophobicContact CG-CD1 3.68Å; M1865-L1896 CarbonylContact O-C 3.53Å; M1865-L1896 VanDerWaalsContact O-CA 3.32Å; M1865-L1896 WeakPolarHBondContact O-CA 3.25Å; M1865-L1896 HydrophobicContact SD-CD1 3.94Å; I1875-L1896 HydrophobicContact CD1-CD1 3.82Å; I1875-L1896 HydrophobicContact CD1-CD2 4.06Å; L1896-L1909 HydrophobicContact CD1-CD2 4.46Å; L1896-L1909 HydrophobicContact CD2-CD2 4.18Å; L1896-L1909 HydrophobicContact CG-CD2 4.5Å; L1896-A1911 HydrophobicContact CD2-CB 3.87Å; L1896-W1916 HydrophobicContact CB-CH2 3.83Å; L1896-W1916 HydrophobicContact CB-CZ3 3.97Å; L1896-W1916 HydrophobicContact CD2-CH2 3.79Å; L1896-W1916 HydrophobicContact CD2-CZ2 4.48Å; L1896-W1916 HydrophobicContact CG-CH2 4.44Å; L1896-F1929 PolarHBondContact O-N 2.94Å; L1896-I1940 HydrophobicContact CB-CD1 4.37Å; L1896-I1940 HydrophobicContact CD2-CD1 3.84Å; L1896-I1940 HydrophobicContact CD2-CG1 4.36Å; L1896-I1940 HydrophobicContact CD2-CG2 3.87Å; L1896-I1940 HydrophobicContact CG-CD1 3.75Å
1897	I	91.2	Very high	74	Confident	1.6 Å²	1.6	49.5 Å²	49.5	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.5	170.2	-64.2	-167.2	0	0	0	109.8	P1859 W1860 Y1863 M1865 G1866 V1867 F1868 Y1894 F1929 L1937	P1859-I1897 HydrophobicContact CB-CD1 4.25Å; P1859-I1897 WeakPolarHBondContact O-CD1 3.2Å; W1860-I1897 HydrophobicContact CB-CD1 4.07Å; W1860-I1897 HydrophobicContact CG-CD1 4.37Å; Y1863-I1897 HydrophobicContact CD1-CB 4.46Å; Y1863-I1897 HydrophobicContact CD1-CD1 3.5Å; Y1863-I1897 VanDerWaalsContact CD1-CD1 3.47Å; Y1863-I1897 HydrophobicContact CD1-CG1 4.14Å; Y1863-I1897 HydrophobicContact CD1-CG2 3.67Å; Y1863-I1897 HydrophobicContact CD2-CG2 3.67Å; Y1863-I1897 HydrophobicContact CE1-CD1 4.36Å; Y1863-I1897 HydrophobicContact CE1-CG2 4.15Å; Y1863-I1897 HydrophobicContact CE2-CG2 4.14Å; Y1863-I1897 HydrophobicContact CG-CD1 3.84Å; Y1863-I1897 HydrophobicContact CG-CG1 4Å; Y1863-I1897 HydrophobicContact CG-CG2 3.41Å; Y1863-I1897 VanDerWaalsContact CG-CG2 3.41Å; M1865-I1897 PolarHBondContact O-N 3.12Å; G1866-I1897 VanDerWaalsContact CA-O 3.3Å; G1866-I1897 WeakPolarHBondContact CA-O 3.35Å; V1867-I1897 PolarHBondContact N-O 2.81Å; F1868-I1897 HydrophobicContact CE1-CD1 4.32Å; F1868-I1897 HydrophobicContact CE1-CG1 4.06Å; F1868-I1897 HydrophobicContact CE1-CG2 4.07Å; F1868-I1897 HydrophobicContact CE2-CG2 4.36Å; F1868-I1897 HydrophobicContact CZ-CB 4.38Å; F1868-I1897 HydrophobicContact CZ-CD1 4.25Å; F1868-I1897 HydrophobicContact CZ-CG1 4.14Å; F1868-I1897 HydrophobicContact CZ-CG2 3.94Å; Y1894-I1897 HydrophobicContact CD2-CD1 4.35Å; Y1894-I1897 HydrophobicContact CG-CD1 4.31Å; I1897-F1929 WeakPolarHBondContact CA-O 3.38Å; I1897-F1929 HydrophobicContact CB-CB 4.45Å; I1897-F1929 HydrophobicContact CD1-CB 4.18Å; I1897-F1929 HydrophobicContact CD1-CD1 4.01Å; I1897-F1929 HydrophobicContact CD1-CE1 4.42Å; I1897-F1929 HydrophobicContact CD1-CG 4.36Å; I1897-F1929 HydrophobicContact CG1-CB 4Å; I1897-F1929 HydrophobicContact CG1-CD1 4.07Å; I1897-F1929 HydrophobicContact CG2-CB 4.4Å; I1897-F1929 HydrophobicContact CG2-CD1 4.31Å; I1897-L1937 HydrophobicContact CD1-CD1 4.11Å; I1897-L1937 HydrophobicContact CG1-CD1 3.95Å; I1897-L1937 HydrophobicContact CG1-CD2 4.49Å; I1897-L1937 HydrophobicContact CG2-CD1 4.31Å
1898	A	88.6	Confident	75.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	97.6	-179.5	0	0	0	0	0	112	V1867 I1900 L1909 F1929 L1937 S1938 I1940	V1867-A1898 CarbonylContact O-C 3.51Å; V1867-A1898 VanDerWaalsContact O-CA 3.29Å; V1867-A1898 WeakPolarHBondContact O-CA 3.34Å; A1898-I1900 VanDerWaalsContact C-N 3.32Å; A1898-I1900 PolarHBondContact O-N 3.16Å; A1898-L1909 HydrophobicContact CB-CB 4.16Å; A1898-L1909 HydrophobicContact CB-CD2 3.54Å; A1898-L1909 VanDerWaalsContact CB-CD2 3.48Å; A1898-L1909 HydrophobicContact CB-CG 4.41Å; A1898-F1929 PolarHBondContact N-O 3.18Å; A1898-L1937 CarbonylContact O-C 3.51Å; A1898-L1937 WeakPolarHBondContact O-CA 3.43Å; A1898-L1937 VanDerWaalsContact O-CB 3.27Å; A1898-L1937 WeakPolarHBondContact O-CB 3.47Å; A1898-L1937 WeakPolarHBondContact O-CD2 3.44Å; A1898-S1938 PolarHBondContact O-N 3.08Å; A1898-I1940 HydrophobicContact CB-CD1 3.75Å; A1898-I1940 HydrophobicContact CB-CG1 3.68Å; A1898-I1940 VanDerWaalsContact CB-CG1 3.47Å
1899	G	85.1	Confident	78.1	Confident	10 Å²	10	44 Å²	44	10%	0.103	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	47.2	174.2	0	0	0	0	0	114	V1867 F1868 G1869 Q1901	V1867-G1899 CarbonylContact O-C 3.56Å; V1867-G1899 VanDerWaalsContact O-CA 3.29Å; V1867-G1899 WeakPolarHBondContact O-CA 3.24Å; V1867-G1899 PolarHBondContact O-N 3.15Å; F1868-G1899 CarbonylContact C-O 3.55Å; F1868-G1899 WeakPolarHBondContact CA-O 3.32Å; G1869-G1899 PolarHBondContact N-O 2.9Å; G1899-Q1901 PolarHBondContact O-N 3.13Å
1900	I	85.9	Confident	80.3	Confident	6.2 Å²	6.2	40.4 Å²	40.4	3%	0.032	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124.6	177.8	-55.7	173.4	0	0	0	109.2	V1867 G1869 Q1871 N1872 A1898 S1902 N1907 L1909 S1938	V1867-I1900 HydrophobicContact CB-CD1 4.42Å; V1867-I1900 HydrophobicContact CB-CG1 4.26Å; V1867-I1900 HydrophobicContact CG1-CD1 3.93Å; V1867-I1900 HydrophobicContact CG1-CG1 3.85Å; V1867-I1900 PolarHBondContact O-N 3.42Å; G1869-I1900 CarbonylContact O-C 3.57Å; G1869-I1900 VanDerWaalsContact O-CA 3.27Å; G1869-I1900 WeakPolarHBondContact O-CA 3.38Å; G1869-I1900 WeakPolarHBondContact O-CG2 3.44Å; Q1871-I1900 WeakPolarHBondContact O-CD1 3.35Å; Q1871-I1900 WeakPolarHBondContact O-CG1 3.28Å; N1872-I1900 HydrophobicContact CB-CD1 4.33Å; A1898-I1900 VanDerWaalsContact C-N 3.32Å; A1898-I1900 PolarHBondContact O-N 3.16Å; I1900-S1902 PolarHBondContact O-N 3.02Å; I1900-S1902 VanDerWaalsContact O-N 3.16Å; I1900-N1907 PolarHBondContact O-ND2 3.16Å; I1900-L1909 HydrophobicContact CD1-CB 4.43Å; I1900-L1909 HydrophobicContact CD1-CD1 3.8Å; I1900-L1909 HydrophobicContact CD1-CG 4.49Å; I1900-S1938 WeakPolarHBondContact CB-OG 3.37Å; I1900-S1938 PolarHBondContact N-OG 2.42Å; I1900-S1938 PolarHBondContact O-OG 3.08Å; I1900-S1938 VanDerWaalsContact O-OG 3.07Å
1901	Q	81.4	Confident	82.3	Confident	83.4 Å²	83.4	34 Å²	34	39%	0.39	17%	0.174	S	C	.	.			trans	-81.7	118.5	177.6	-131.8	176.5	5	0	0	109.7	G1869 G1899 I2402 P2408 C2410 S2411 S2412	G1869-Q1901 PolarHBondContact O-N 3.03Å; G1899-Q1901 PolarHBondContact O-N 3.13Å; Q1901-I2402 HydrophobicContact CG-CD1 4.22Å; Q1901-P2408 HydrophobicContact CG-CB 4.4Å; Q1901-P2408 HydrophobicContact CG-CG 4.15Å; Q1901-C2410 PolarHBondContact OE1-O 3.01Å; Q1901-S2411 CarbonylContact O-C 3.56Å; Q1901-S2411 VanDerWaalsContact O-CA 3.27Å; Q1901-S2411 WeakPolarHBondContact O-CA 3.23Å; Q1901-S2412 PolarHBondContact O-N 3.1Å; Q1901-S2412 PolarHBondContact O-OG 3.38Å
1902	S	78.6	Confident	83.8	Confident	35.8 Å²	35.8	32.7 Å²	32.7	25%	0.25	17%	0.169	S	C	.	.			trans	-139	155.8	-178.1	168.6	0	0	0	0	110.6	I1900 Q1904 N1907 E2413	I1900-S1902 PolarHBondContact O-N 3.02Å; I1900-S1902 VanDerWaalsContact O-N 3.16Å; S1902-Q1904 VanDerWaalsContact C-N 3.32Å; S1902-Q1904 PolarHBondContact O-N 2.84Å; S1902-Q1904 WeakPolarHBondContact OG-CB 3.28Å; S1902-Q1904 PolarHBondContact OG-N 2.92Å; S1902-Q1904 VanDerWaalsContact OG-N 3.16Å; S1902-N1907 VanDerWaalsContact CB-ND2 3.31Å; S1902-N1907 WeakPolarHBondContact CB-ND2 3.31Å; S1902-N1907 WeakPolarHBondContact OG-CB 3.35Å; S1902-E2413 WeakPolarHBondContact CA-OE2 3.47Å; S1902-E2413 WeakPolarHBondContact CB-OE1 3.25Å; S1902-E2413 PolarHBondContact OG-OE1 2.85Å
1903	I	76.4	Confident	84.9	Confident	78.6 Å²	78.6	33 Å²	33	40%	0.403	17%	0.166	S	C	.	.	S	Bend	trans	-76.7	-24.9	173.6	-56.7	164.9	0	0	0	110.4	I2407 S2411 E2413 I2416	I1903-I2407 HydrophobicContact CD1-CD1 4.27Å; I1903-I2407 HydrophobicContact CD1-CG2 3.84Å; I1903-I2407 HydrophobicContact CG1-CG2 4.17Å; I1903-I2407 HydrophobicContact CG2-CD1 4.21Å; I1903-I2407 HydrophobicContact CG2-CG1 4.3Å; I1903-S2411 WeakPolarHBondContact CD1-OG 3.48Å; I1903-S2411 WeakPolarHBondContact CG1-OG 3.21Å; I1903-E2413 HydrophobicContact CD1-CB 4.21Å; I1903-E2413 WeakPolarHBondContact CG1-OE2 3.24Å; I1903-E2413 PolarHBondContact N-OE1 2.93Å; I1903-E2413 VanDerWaalsContact N-OE1 3.17Å; I1903-E2413 PolarHBondContact N-OE2 3.03Å; I1903-E2413 VanDerWaalsContact N-OE2 3.16Å; I1903-I2416 HydrophobicContact CD1-CD1 3.53Å; I1903-I2416 VanDerWaalsContact CD1-CD1 3.44Å; I1903-I2416 HydrophobicContact CD1-CG1 3.8Å
1904	Q	75.1	Confident	85.5	Confident	115 Å²	115	32.2 Å²	32.2	54%	0.537	16%	0.161	S	C	.	.	S	Bend	trans	-80.4	132.3	179.2	-65.5	-176.8	-11.3	0	0	111.2	S1902 P1906 N1907 E2413	S1902-Q1904 VanDerWaalsContact C-N 3.32Å; S1902-Q1904 PolarHBondContact O-N 2.84Å; S1902-Q1904 WeakPolarHBondContact OG-CB 3.28Å; S1902-Q1904 PolarHBondContact OG-N 2.92Å; S1902-Q1904 VanDerWaalsContact OG-N 3.16Å; Q1904-P1906 CarbonylContact O-C 3.55Å; Q1904-N1907 WeakPolarHBondContact O-CB 3.34Å; Q1904-N1907 PolarHBondContact O-N 3.06Å; Q1904-N1907 VanDerWaalsContact O-N 3.11Å; Q1904-E2413 PolarHBondContact N-OE1 3.47Å
1905	I	72.6	Confident	85.7	Confident	46.8 Å²	46.8	32 Å²	32	24%	0.24	16%	0.16	C	C	.	.	S	Bend	trans	-127.1	118	177.3	-53.1	170.4	0	0	0	109.2	F1931 L2025 Y2246 F2404	I1905-F1931 HydrophobicContact CG2-CE2 3.98Å; I1905-F1931 HydrophobicContact CG2-CZ 4.03Å; I1905-L2025 HydrophobicContact CB-CD1 4.41Å; I1905-L2025 HydrophobicContact CD1-CD2 4.42Å; I1905-L2025 HydrophobicContact CG2-CD1 3.74Å; I1905-Y2246 HydrophobicContact CB-CE1 4.19Å; I1905-Y2246 VanDerWaalsContact CD1-OH 3.28Å; I1905-Y2246 WeakPolarHBondContact CD1-OH 3.37Å; I1905-Y2246 HydrophobicContact CG1-CE1 4.46Å; I1905-Y2246 WeakPolarHBondContact O-CE1 3.46Å; I1905-F2404 HydrophobicContact CD1-CD1 3.35Å; I1905-F2404 HydrophobicContact CD1-CE1 3.77Å; I1905-F2404 HydrophobicContact CD1-CG 4.26Å; I1905-F2404 HydrophobicContact CG1-CD1 4.27Å; I1905-F2404 HydrophobicContact CG1-CE1 4.24Å
1906	P	73	Confident	85.6	Confident	17.2 Å²	17.2	32 Å²	32	11%	0.112	16%	0.16	C	C	.	.	S	Bend	cis	-73.8	146.3	-7.8	31.4	-34.3	0	0	0	111.9	Q1904 F1908 F1931 L1939 M2001	Q1904-P1906 CarbonylContact O-C 3.55Å; P1906-F1908 HydrophobicContact CB-CE2 4.41Å; P1906-F1908 HydrophobicContact CB-CZ 4.38Å; P1906-F1908 HydrophobicContact CG-CE2 4.04Å; P1906-F1908 HydrophobicContact CG-CZ 3.93Å; P1906-F1908 WeakPolarHBondContact O-CD2 3.28Å; P1906-F1908 VanDerWaalsContact O-CE2 3.3Å; P1906-F1908 WeakPolarHBondContact O-CE2 3.4Å; P1906-F1931 HydrophobicContact CB-CD1 4.32Å; P1906-F1931 HydrophobicContact CB-CD2 4.27Å; P1906-F1931 HydrophobicContact CB-CE1 4.44Å; P1906-F1931 HydrophobicContact CB-CE2 4.39Å; P1906-F1931 HydrophobicContact CB-CG 4.25Å; P1906-F1931 HydrophobicContact CB-CZ 4.44Å; P1906-L1939 HydrophobicContact CB-CB 4.2Å; P1906-L1939 HydrophobicContact CG-CD2 4.4Å; P1906-M2001 VanDerWaalsContact CD-CE 3.49Å; P1906-M2001 HydrophobicContact CG-CE 4.43Å
1907	N	82.9	Confident	85.2	Confident	20.8 Å²	20.8	32.9 Å²	32.9	11%	0.111	17%	0.167	C	C	.	.			trans	-85.1	151.6	164.2	171.4	16.8	0	0	0	109.8	I1900 S1902 Q1904 L1937 S1938 L1939	I1900-N1907 PolarHBondContact O-ND2 3.16Å; S1902-N1907 VanDerWaalsContact CB-ND2 3.31Å; S1902-N1907 WeakPolarHBondContact CB-ND2 3.31Å; S1902-N1907 WeakPolarHBondContact OG-CB 3.35Å; Q1904-N1907 WeakPolarHBondContact O-CB 3.34Å; Q1904-N1907 PolarHBondContact O-N 3.06Å; Q1904-N1907 VanDerWaalsContact O-N 3.11Å; N1907-L1937 PolarHBondContact OD1-O 2.79Å; N1907-S1938 WeakPolarHBondContact CB-OG 3.47Å; N1907-S1938 PolarHBondContact ND2-OG 3.04Å; N1907-S1938 VanDerWaalsContact ND2-OG 3.15Å; N1907-S1938 VanDerWaalsContact OD1-CA 3.25Å; N1907-S1938 WeakPolarHBondContact OD1-CA 3.06Å; N1907-L1939 VanDerWaalsContact O-CB 3.32Å; N1907-L1939 WeakPolarHBondContact O-CB 3.27Å; N1907-L1939 PolarHBondContact O-N 3.18Å
1908	F	87.5	Confident	84.9	Confident	98.8 Å²	98.8	33.5 Å²	33.5	43%	0.433	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.6	-176.8	-63.4	-95.6	0	0	0	111.5	P1906 L1939 N1941 M2249	P1906-F1908 HydrophobicContact CB-CE2 4.41Å; P1906-F1908 HydrophobicContact CB-CZ 4.38Å; P1906-F1908 HydrophobicContact CG-CE2 4.04Å; P1906-F1908 HydrophobicContact CG-CZ 3.93Å; P1906-F1908 WeakPolarHBondContact O-CD2 3.28Å; P1906-F1908 VanDerWaalsContact O-CE2 3.3Å; P1906-F1908 WeakPolarHBondContact O-CE2 3.4Å; F1908-L1939 CarbonylContact C-O 3.58Å; F1908-L1939 VanDerWaalsContact CA-O 3.31Å; F1908-L1939 WeakPolarHBondContact CA-O 3.36Å; F1908-L1939 HydrophobicContact CD1-CB 4.31Å; F1908-L1939 HydrophobicContact CD1-CD2 3.86Å; F1908-L1939 HydrophobicContact CD1-CG 4.48Å; F1908-L1939 HydrophobicContact CE1-CB 4.37Å; F1908-L1939 HydrophobicContact CE1-CD2 3.5Å; F1908-L1939 VanDerWaalsContact CE1-CD2 3.44Å; F1908-L1939 HydrophobicContact CE1-CG 4.48Å; F1908-L1939 HydrophobicContact CZ-CD2 4.26Å; F1908-N1941 HydrophobicContact CD1-CB 4.49Å; F1908-M2249 HydrophobicContact CE2-CE 4.23Å; F1908-M2249 HydrophobicContact CZ-CE 4.15Å
1909	L	91.1	Very high	84.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.9	163.4	-179.7	64.6	0	0	0	109.1	V1867 I1873 I1875 L1896 A1898 I1900 A1911 L1939 I1940 N1941	V1867-L1909 HydrophobicContact CG2-CD2 4.42Å; I1873-L1909 HydrophobicContact CG2-CD1 4.29Å; I1873-L1909 WeakPolarHBondContact O-CD1 3.44Å; I1875-L1909 HydrophobicContact CD1-CD2 4.11Å; I1875-L1909 HydrophobicContact CD1-CG 4.48Å; L1896-L1909 HydrophobicContact CD1-CD2 4.46Å; L1896-L1909 HydrophobicContact CD2-CD2 4.18Å; L1896-L1909 HydrophobicContact CG-CD2 4.5Å; A1898-L1909 HydrophobicContact CB-CB 4.16Å; A1898-L1909 HydrophobicContact CB-CD2 3.54Å; A1898-L1909 VanDerWaalsContact CB-CD2 3.48Å; A1898-L1909 HydrophobicContact CB-CG 4.41Å; I1900-L1909 HydrophobicContact CD1-CB 4.43Å; I1900-L1909 HydrophobicContact CD1-CD1 3.8Å; I1900-L1909 HydrophobicContact CD1-CG 4.49Å; L1909-A1911 PolarHBondContact O-N 3.08Å; L1909-L1939 PolarHBondContact N-O 2.99Å; L1909-I1940 HydrophobicContact CB-CG1 4.4Å; L1909-I1940 HydrophobicContact CD2-CG1 4.39Å; L1909-N1941 WeakPolarHBondContact O-CB 3.45Å; L1909-N1941 PolarHBondContact O-N 2.91Å
1910	D	92.1	Very high	84.5	Confident	37 Å²	37	39.8 Å²	39.8	20%	0.198	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	108.2	177.1	-172.6	-9.2	0	0	0	110.6	T1874 I1875 R1876 Q1912	T1874-D1910 HydrophobicContact CG2-CB 4.21Å; I1875-D1910 PolarHBondContact N-O 2.95Å; R1876-D1910 IonicContact CZ-OD1 3.47Å; R1876-D1910 IonicContact CZ-OD2 3.35Å; R1876-D1910 VanDerWaalsContact CZ-OD2 3.23Å; R1876-D1910 IonicContact NE-OD1 3.03Å; R1876-D1910 PolarHBondContact NE-OD1 3.22Å; R1876-D1910 IonicContact NE-OD2 3.29Å; R1876-D1910 PolarHBondContact NE-OD2 3.06Å; R1876-D1910 VanDerWaalsContact NE-OD2 3.09Å; R1876-D1910 IonicContact NH1-OD1 3.76Å; R1876-D1910 IonicContact NH1-OD2 3.36Å; R1876-D1910 PolarHBondContact NH1-OD2 3.22Å; R1876-D1910 VanDerWaalsContact NH2-CG 3.27Å; R1876-D1910 IonicContact NH2-OD1 3.25Å; R1876-D1910 PolarHBondContact NH2-OD1 3.05Å; R1876-D1910 VanDerWaalsContact NH2-OD1 3.13Å; R1876-D1910 IonicContact NH2-OD2 3.17Å; R1876-D1910 PolarHBondContact NH2-OD2 3.19Å; D1910-Q1912 WeakPolarHBondContact OD1-CG 3.32Å; D1910-Q1912 PolarHBondContact OD1-N 3Å; D1910-Q1912 VanDerWaalsContact OD1-N 3.15Å
1911	A	93.3	Very high	84.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.			trans	-125.4	29.4	178.2	0	0	0	0	0	111.8	I1875 L1896 L1909 N1914 W1916 I1940 N1941	I1875-A1911 HydrophobicContact CB-CB 4.5Å; I1875-A1911 CarbonylContact O-C 3.54Å; I1875-A1911 VanDerWaalsContact O-CA 3.24Å; I1875-A1911 WeakPolarHBondContact O-CA 3.33Å; L1896-A1911 HydrophobicContact CD2-CB 3.87Å; L1909-A1911 PolarHBondContact O-N 3.08Å; A1911-N1914 PolarHBondContact O-ND2 3.02Å; A1911-W1916 HydrophobicContact CB-CZ2 4.22Å; A1911-I1940 HydrophobicContact CB-CG2 3.62Å; A1911-N1941 CarbonylContact C-O 3.49Å; A1911-N1941 WeakPolarHBondContact CA-O 3.39Å; A1911-N1941 PolarHBondContact N-O 3.17Å
1912	Q	90.8	Very high	84.3	Confident	38 Å²	38	41.6 Å²	41.6	18%	0.178	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	161.7	-177.6	-63.2	-171.9	-23.6	0	0	111.9	R1876 D1910 N1914 N1941 N1943	R1876-Q1912 WeakPolarHBondContact CA-O 3.38Å; R1876-Q1912 WeakPolarHBondContact CG-O 3.24Å; R1876-Q1912 VanDerWaalsContact NH2-OE1 3.15Å; D1910-Q1912 WeakPolarHBondContact OD1-CG 3.32Å; D1910-Q1912 PolarHBondContact OD1-N 3Å; D1910-Q1912 VanDerWaalsContact OD1-N 3.15Å; Q1912-N1914 VanDerWaalsContact C-N 3.27Å; Q1912-N1914 PolarHBondContact O-N 3.13Å; Q1912-N1914 VanDerWaalsContact O-N 3.13Å; Q1912-N1914 PolarHBondContact O-ND2 3.16Å; Q1912-N1941 VanDerWaalsContact CG-O 3.29Å; Q1912-N1941 WeakPolarHBondContact CG-O 3.39Å; Q1912-N1941 PolarHBondContact N-O 3.03Å; Q1912-N1941 VanDerWaalsContact N-O 3.11Å; Q1912-N1941 PolarHBondContact NE2-ND2 3.23Å; Q1912-N1941 VanDerWaalsContact NE2-ND2 3.13Å; Q1912-N1941 PolarHBondContact NE2-OD1 3.21Å; Q1912-N1941 VanDerWaalsContact NE2-OD1 3.1Å; Q1912-N1943 WeakPolarHBondContact CA-O 3.33Å; Q1912-N1943 VanDerWaalsContact CB-O 3.28Å; Q1912-N1943 WeakPolarHBondContact CB-O 3.28Å; Q1912-N1943 WeakPolarHBondContact CG-O 3.42Å
1913	Q	89.7	Confident	84.5	Confident	49 Å²	49	43.8 Å²	43.8	23%	0.229	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	28.7	171.8	-53	173.9	-50.1	0	0	114.4	R1876 H1877 N1944 L1946 L1956	R1876-Q1913 VanDerWaalsContact CD-OE1 3.3Å; H1877-Q1913 WeakPolarHBondContact CA-O 3.39Å; H1877-Q1913 PolarHBondContact CE1-OE1 3.07Å; H1877-Q1913 VanDerWaalsContact CE1-OE1 3.29Å; H1877-Q1913 PolarHBondContact N-O 3.04Å; H1877-Q1913 PolarHBondContact NE2-OE1 3.26Å; Q1913-N1944 VanDerWaalsContact CA-O 3.29Å; Q1913-N1944 WeakPolarHBondContact CA-O 3.34Å; Q1913-N1944 PolarHBondContact N-O 3.03Å; Q1913-N1944 VanDerWaalsContact N-O 3.12Å; Q1913-L1946 VanDerWaalsContact O-CD1 3.27Å; Q1913-L1946 WeakPolarHBondContact O-CD1 3.36Å; Q1913-L1946 VanDerWaalsContact O-CG 3.32Å; Q1913-L1946 WeakPolarHBondContact O-CG 3.28Å; Q1913-L1956 HydrophobicContact CG-CD2 4.16Å
1914	N	91.2	Very high	84.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.			trans	-101.3	155.7	170.8	-61.3	-62	0	0	0	110.9	I1875 R1876 H1877 N1878 F1880 A1911 Q1912 W1916 Y1945 L1946	I1875-N1914 PolarHBondContact O-ND2 3.16Å; R1876-N1914 VanDerWaalsContact C-OD1 3.23Å; R1876-N1914 WeakPolarHBondContact CA-OD1 3.32Å; H1877-N1914 PolarHBondContact N-OD1 3.05Å; H1877-N1914 VanDerWaalsContact N-OD1 3.13Å; N1878-N1914 WeakPolarHBondContact CB-OD1 3.25Å; N1878-N1914 PolarHBondContact N-OD1 3.03Å; N1878-N1914 PolarHBondContact ND2-OD1 3.1Å; N1878-N1914 VanDerWaalsContact ND2-OD1 3.09Å; N1878-N1914 CarbonylContact O-C 3.54Å; N1878-N1914 WeakPolarHBondContact O-CA 3.33Å; F1880-N1914 HydrophobicContact CD2-CB 4.35Å; F1880-N1914 HydrophobicContact CE2-CB 4.33Å; A1911-N1914 PolarHBondContact O-ND2 3.02Å; Q1912-N1914 VanDerWaalsContact C-N 3.27Å; Q1912-N1914 PolarHBondContact O-N 3.13Å; Q1912-N1914 VanDerWaalsContact O-N 3.13Å; Q1912-N1914 PolarHBondContact O-ND2 3.16Å; N1914-W1916 HydrophobicContact CB-CZ2 4.08Å; N1914-Y1945 WeakPolarHBondContact O-CA 3.43Å; N1914-L1946 PolarHBondContact O-N 3.01Å
1915	Y	90.5	Very high	85.4	Confident	33 Å²	33	40.2 Å²	40.2	13%	0.129	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-95.5	129.7	169.8	-179.2	-116.7	0	0	0	109.6	N1878 S1879 F1880 E1881 A1917 L1946 T1947 F1949	N1878-Y1915 PolarHBondContact O-N 3.04Å; S1879-Y1915 WeakPolarHBondContact OG-CD1 3.3Å; F1880-Y1915 PolarHBondContact N-O 3.09Å; E1881-Y1915 VanDerWaalsContact CD-CE1 3.48Å; E1881-Y1915 HydrophobicContact CG-CD1 4.04Å; E1881-Y1915 HydrophobicContact CG-CE1 3.87Å; E1881-Y1915 VanDerWaalsContact OE1-CE1 3.29Å; E1881-Y1915 WeakPolarHBondContact OE1-CE1 3.32Å; Y1915-A1917 PolarHBondContact OH-O 3.39Å; Y1915-L1946 HydrophobicContact CD2-CB 4.43Å; Y1915-L1946 WeakPolarHBondContact CD2-O 3.38Å; Y1915-T1947 VanDerWaalsContact CE2-O 3.28Å; Y1915-T1947 WeakPolarHBondContact CE2-O 3.24Å; Y1915-F1949 HydrophobicContact CD1-CB 3.83Å; Y1915-F1949 HydrophobicContact CD2-CB 4.46Å; Y1915-F1949 HydrophobicContact CE1-CB 4.33Å; Y1915-F1949 HydrophobicContact CG-CB 3.87Å
1916	W	88.8	Confident	85.8	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	23%	0.225	C	C	.	.			trans	-117.4	33.3	-172.1	-61.9	104.9	0	0	0	112.7	F1880 E1895 L1896 A1911 N1914 S1918 I1924 I1928 F1942	F1880-W1916 HydrophobicContact CB-CE3 3.92Å; F1880-W1916 HydrophobicContact CB-CZ3 4.22Å; F1880-W1916 HydrophobicContact CD1-CZ3 4.4Å; F1880-W1916 HydrophobicContact CD2-CD2 4.46Å; F1880-W1916 AromaticContact CD2-CE3 3.91Å; F1880-W1916 HydrophobicContact CD2-CE3 3.91Å; F1880-W1916 AromaticContact CD2-CH2 3.98Å; F1880-W1916 HydrophobicContact CD2-CH2 4.04Å; F1880-W1916 AromaticContact CD2-CZ3 3.66Å; F1880-W1916 HydrophobicContact CD2-CZ3 3.66Å; F1880-W1916 AromaticContact CE2-CH2 3.99Å; F1880-W1916 HydrophobicContact CE2-CH2 4.04Å; F1880-W1916 HydrophobicContact CE2-CZ3 4.07Å; F1880-W1916 HydrophobicContact CG-CE3 4.03Å; F1880-W1916 AromaticContact CG-CZ3 3.85Å; F1880-W1916 HydrophobicContact CG-CZ3 3.85Å; F1880-W1916 CarbonylContact O-C 3.49Å; E1895-W1916 HydrophobicContact CB-CE3 4.01Å; E1895-W1916 HydrophobicContact CB-CZ3 3.81Å; E1895-W1916 HydrophobicContact CG-CE3 4.47Å; L1896-W1916 HydrophobicContact CB-CH2 3.83Å; L1896-W1916 HydrophobicContact CB-CZ3 3.97Å; L1896-W1916 HydrophobicContact CD2-CH2 3.79Å; L1896-W1916 HydrophobicContact CD2-CZ2 4.48Å; L1896-W1916 HydrophobicContact CG-CH2 4.44Å; A1911-W1916 HydrophobicContact CB-CZ2 4.22Å; N1914-W1916 HydrophobicContact CB-CZ2 4.08Å; W1916-S1918 PolarHBondContact O-N 3.1Å; W1916-I1924 HydrophobicContact CB-CB 4.46Å; W1916-I1924 HydrophobicContact CB-CD1 4.36Å; W1916-I1924 HydrophobicContact CB-CG1 3.93Å; W1916-I1924 HydrophobicContact CB-CG2 3.93Å; W1916-I1924 HydrophobicContact CD2-CG2 4.37Å; W1916-I1924 HydrophobicContact CG-CG2 3.78Å; W1916-I1928 HydrophobicContact CD2-CD1 4.41Å; W1916-I1928 HydrophobicContact CE3-CD1 4.43Å; W1916-I1928 HydrophobicContact CE3-CG1 4.49Å; W1916-I1928 HydrophobicContact CH2-CD1 4.32Å; W1916-I1928 HydrophobicContact CH2-CG1 4.48Å; W1916-I1928 HydrophobicContact CZ2-CD1 4.17Å; W1916-I1928 HydrophobicContact CZ3-CD1 4.41Å; W1916-I1928 HydrophobicContact CZ3-CG1 4.37Å; W1916-F1942 HydrophobicContact CZ2-CB 4.27Å
1917	A	84.5	Confident	86.5	Confident	17.8 Å²	17.8	44.7 Å²	44.7	15%	0.147	23%	0.225	C	C	.	.	S	Bend	trans	62.1	-13.3	-177.2	0	0	0	0	0	117.2	F1880 E1881 K1884 Y1915	F1880-A1917 WeakPolarHBondContact O-CB 3.36Å; F1880-A1917 PolarHBondContact O-N 3.12Å; E1881-A1917 HydrophobicContact CB-CB 4.39Å; E1881-A1917 HydrophobicContact CG-CB 4.08Å; K1884-A1917 HydrophobicContact CD-CB 4.1Å; K1884-A1917 WeakPolarHBondContact CE-O 3.36Å; K1884-A1917 HydrophobicContact CG-CB 3.81Å; Y1915-A1917 PolarHBondContact OH-O 3.39Å
1918	S	83.8	Confident	86.8	Confident	15 Å²	15	43.9 Å²	43.9	11%	0.105	22%	0.22	C	C	.	.			trans	-133.8	156.2	179.8	-176.5	0	0	0	0	111.2	W1916 N1920 E1923 I1924	W1916-S1918 PolarHBondContact O-N 3.1Å; S1918-N1920 WeakPolarHBondContact OG-CB 3.31Å; S1918-N1920 PolarHBondContact OG-N 3.1Å; S1918-E1923 VanDerWaalsContact CB-OE2 3.3Å; S1918-E1923 WeakPolarHBondContact CB-OE2 3.27Å; S1918-E1923 PolarHBondContact OG-OE2 3Å; S1918-I1924 WeakPolarHBondContact O-CD1 3.4Å
1919	S	80.8	Confident	86.8	Confident	77.2 Å²	77.2	39.7 Å²	39.7	54%	0.54	20%	0.202	S	C	.	.	S	Bend	trans	-99	-5.4	168.1	59.7	0	0	0	0	112.8	Y1945	S1919-Y1945 PolarHBondContact O-OH 2.99Å; S1919-Y1945 VanDerWaalsContact O-OH 3.05Å
1920	N	84	Confident	86.7	Confident	65.6 Å²	65.6	40 Å²	40	35%	0.351	20%	0.204	S	C	.	.			trans	-88.3	117	-179.7	-178.9	1.2	0	0	0	110.6	S1918 T1922 E1923 I1924	S1918-N1920 WeakPolarHBondContact OG-CB 3.31Å; S1918-N1920 PolarHBondContact OG-N 3.1Å; N1920-T1922 VanDerWaalsContact CG-OG1 3.23Å; N1920-T1922 PolarHBondContact ND2-OG1 3.17Å; N1920-T1922 VanDerWaalsContact ND2-OG1 3.11Å; N1920-T1922 PolarHBondContact O-N 3.07Å; N1920-T1922 VanDerWaalsContact O-N 3.15Å; N1920-T1922 PolarHBondContact OD1-N 2.98Å; N1920-T1922 VanDerWaalsContact OD1-N 3.09Å; N1920-T1922 PolarHBondContact OD1-OG1 3.3Å; N1920-E1923 HydrophobicContact CB-CB 4.28Å; N1920-E1923 HydrophobicContact CB-CG 4.23Å; N1920-E1923 PolarHBondContact ND2-OE1 3.02Å; N1920-E1923 PolarHBondContact O-N 3.23Å; N1920-E1923 VanDerWaalsContact O-N 3.13Å; N1920-I1924 VanDerWaalsContact O-CG1 3.31Å; N1920-I1924 WeakPolarHBondContact O-CG1 3.33Å; N1920-I1924 PolarHBondContact O-N 3.09Å; N1920-I1924 VanDerWaalsContact O-N 3.08Å
1921	I	81.6	Confident	86.5	Confident	47.4 Å²	47.4	38.4 Å²	38.4	24%	0.243	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-30.3	-177.4	-163.3	144.5	0	0	0	113.7	I1924 R1925 F1942 Y1945 L1960 P1963 P1964	I1921-I1924 PolarHBondContact O-N 3.15Å; I1921-R1925 HydrophobicContact CG1-CG 4.48Å; I1921-R1925 VanDerWaalsContact O-CB 3.3Å; I1921-R1925 WeakPolarHBondContact O-CB 3.34Å; I1921-R1925 WeakPolarHBondContact O-CG 3.19Å; I1921-R1925 PolarHBondContact O-N 2.82Å; I1921-F1942 HydrophobicContact CD1-CE2 4.17Å; I1921-F1942 HydrophobicContact CD1-CZ 4.35Å; I1921-F1942 HydrophobicContact CG1-CE2 4.05Å; I1921-F1942 HydrophobicContact CG1-CZ 4.38Å; I1921-Y1945 HydrophobicContact CD1-CD1 4.46Å; I1921-Y1945 HydrophobicContact CD1-CE1 4.18Å; I1921-Y1945 HydrophobicContact CG1-CE1 4.4Å; I1921-L1960 HydrophobicContact CD1-CD1 3.61Å; I1921-L1960 HydrophobicContact CD1-CD2 4.04Å; I1921-L1960 HydrophobicContact CD1-CG 4.09Å; I1921-P1963 HydrophobicContact CD1-CB 3.72Å; I1921-P1964 HydrophobicContact CD1-CG 3.76Å
1922	T	81.4	Confident	86.1	Confident	79.8 Å²	79.8	40 Å²	40	49%	0.49	20%	0.204	S	C	.	.	H	α-helix	trans	-71.7	-38.1	179.4	41.1	0	0	0	0	111.9	N1920 R1925 Q1926	N1920-T1922 VanDerWaalsContact CG-OG1 3.23Å; N1920-T1922 PolarHBondContact ND2-OG1 3.17Å; N1920-T1922 VanDerWaalsContact ND2-OG1 3.11Å; N1920-T1922 PolarHBondContact O-N 3.07Å; N1920-T1922 VanDerWaalsContact O-N 3.15Å; N1920-T1922 PolarHBondContact OD1-N 2.98Å; N1920-T1922 VanDerWaalsContact OD1-N 3.09Å; N1920-T1922 PolarHBondContact OD1-OG1 3.3Å; T1922-R1925 PolarHBondContact O-N 3.23Å; T1922-Q1926 WeakPolarHBondContact O-CG 3.36Å; T1922-Q1926 PolarHBondContact O-N 3.13Å
1923	E	82.7	Confident	85.8	Confident	82.4 Å²	82.4	40.2 Å²	40.2	39%	0.385	21%	0.205	S	C	.	.	H	α-helix	trans	-69.5	-44	174.7	-86.8	166.5	-153	0	0	110.8	S1918 N1920 R1925 Q1926 H1927	S1918-E1923 VanDerWaalsContact CB-OE2 3.3Å; S1918-E1923 WeakPolarHBondContact CB-OE2 3.27Å; S1918-E1923 PolarHBondContact OG-OE2 3Å; N1920-E1923 HydrophobicContact CB-CB 4.28Å; N1920-E1923 HydrophobicContact CB-CG 4.23Å; N1920-E1923 PolarHBondContact ND2-OE1 3.02Å; N1920-E1923 PolarHBondContact O-N 3.23Å; N1920-E1923 VanDerWaalsContact O-N 3.13Å; E1923-R1925 VanDerWaalsContact C-N 3.28Å; E1923-R1925 PolarHBondContact O-N 3.06Å; E1923-Q1926 WeakPolarHBondContact O-CB 3.3Å; E1923-Q1926 PolarHBondContact O-N 2.94Å; E1923-H1927 PolarHBondContact O-CD2 3.01Å; E1923-H1927 PolarHBondContact O-N 3.05Å; E1923-H1927 VanDerWaalsContact O-N 3.15Å
1924	I	85.7	Confident	85.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.4	-43.3	176.2	-61.4	171.6	0	0	0	110.7	W1916 S1918 N1920 I1921 Q1926 H1927 I1928 F1942 Y1945	W1916-I1924 HydrophobicContact CB-CB 4.46Å; W1916-I1924 HydrophobicContact CB-CD1 4.36Å; W1916-I1924 HydrophobicContact CB-CG1 3.93Å; W1916-I1924 HydrophobicContact CB-CG2 3.93Å; W1916-I1924 HydrophobicContact CD2-CG2 4.37Å; W1916-I1924 HydrophobicContact CG-CG2 3.78Å; S1918-I1924 WeakPolarHBondContact O-CD1 3.4Å; N1920-I1924 VanDerWaalsContact O-CG1 3.31Å; N1920-I1924 WeakPolarHBondContact O-CG1 3.33Å; N1920-I1924 PolarHBondContact O-N 3.09Å; N1920-I1924 VanDerWaalsContact O-N 3.08Å; I1921-I1924 PolarHBondContact O-N 3.15Å; I1924-Q1926 VanDerWaalsContact C-N 3.28Å; I1924-Q1926 PolarHBondContact O-N 3.22Å; I1924-H1927 PolarHBondContact O-N 3.05Å; I1924-H1927 VanDerWaalsContact O-N 3.13Å; I1924-I1928 HydrophobicContact CG2-CD1 3.9Å; I1924-I1928 WeakPolarHBondContact O-CG1 3.41Å; I1924-I1928 PolarHBondContact O-N 3.02Å; I1924-F1942 HydrophobicContact CG2-CD2 3.82Å; I1924-F1942 HydrophobicContact CG2-CE2 3.89Å; I1924-F1942 HydrophobicContact CG2-CG 4.41Å; I1924-F1942 HydrophobicContact CG2-CZ 4.46Å; I1924-Y1945 HydrophobicContact CD1-CD1 4.08Å; I1924-Y1945 HydrophobicContact CD1-CD2 3.56Å; I1924-Y1945 VanDerWaalsContact CD1-CD2 3.46Å; I1924-Y1945 HydrophobicContact CD1-CE1 4.1Å; I1924-Y1945 HydrophobicContact CD1-CE2 3.57Å; I1924-Y1945 VanDerWaalsContact CD1-CE2 3.44Å; I1924-Y1945 HydrophobicContact CD1-CG 3.83Å
1925	R	84.4	Confident	85.3	Confident	116.4 Å²	116.4	39.2 Å²	39.2	44%	0.439	20%	0.2	S	C	.	.	H	α-helix	trans	-64.6	-29	177.2	-94.2	-168	-179.5	179.1	-1.8	113.5	I1921 T1922 E1923 H1927 I1928 D1930 N1932 F1942 M1966	I1921-R1925 HydrophobicContact CG1-CG 4.48Å; I1921-R1925 VanDerWaalsContact O-CB 3.3Å; I1921-R1925 WeakPolarHBondContact O-CB 3.34Å; I1921-R1925 WeakPolarHBondContact O-CG 3.19Å; I1921-R1925 PolarHBondContact O-N 2.82Å; T1922-R1925 PolarHBondContact O-N 3.23Å; E1923-R1925 VanDerWaalsContact C-N 3.28Å; E1923-R1925 PolarHBondContact O-N 3.06Å; R1925-H1927 VanDerWaalsContact C-N 3.29Å; R1925-I1928 PolarHBondContact O-N 2.98Å; R1925-I1928 VanDerWaalsContact O-O 3.06Å; R1925-D1930 IonicContact NH1-OD2 2.77Å; R1925-D1930 PolarHBondContact NH1-OD2 3.32Å; R1925-N1932 PolarHBondContact NH2-ND2 3.17Å; R1925-F1942 HydrophobicContact CG-CE1 4.25Å; R1925-F1942 HydrophobicContact CG-CZ 3.78Å; R1925-M1966 PolarHBondContact NH1-SD 3.47Å; R1925-M1966 VanDerWaalsContact NH1-SD 3.38Å
1926	Q	82.5	Confident	84.8	Confident	133.4 Å²	133.4	39.9 Å²	39.9	62%	0.623	21%	0.209	S	C	*	.	H	α-helix	trans	-73.2	-25.5	175.3	-72.4	172.8	-10.1	0	0	112.3	T1922 E1923 I1924 I1928	T1922-Q1926 WeakPolarHBondContact O-CG 3.36Å; T1922-Q1926 PolarHBondContact O-N 3.13Å; E1923-Q1926 WeakPolarHBondContact O-CB 3.3Å; E1923-Q1926 PolarHBondContact O-N 2.94Å; I1924-Q1926 VanDerWaalsContact C-N 3.28Å; I1924-Q1926 PolarHBondContact O-N 3.22Å; Q1926-I1928 VanDerWaalsContact C-N 3.33Å; Q1926-I1928 PolarHBondContact O-N 3.09Å
1927	H	86.5	Confident	84.7	Confident	27 Å²	27	40.3 Å²	40.3	13%	0.125	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.8	176.2	-60.9	-163.5	0	0	0	113.8	C1883 C1893 Y1894 E1895 E1923 I1924 R1925	C1883-H1927 WeakPolarHBondContact CB-CE1 3.46Å; C1883-H1927 WeakPolarHBondContact CB-ND1 3.45Å; C1893-H1927 PolarHBondContact O-ND1 3.49Å; C1893-H1927 VanDerWaalsContact O-ND1 3.08Å; Y1894-H1927 CarbonylContact C-O 3.53Å; Y1894-H1927 WeakPolarHBondContact CA-O 3.33Å; E1895-H1927 HydrophobicContact CB-CB 4.45Å; E1895-H1927 HydrophobicContact CG-CB 4.04Å; E1895-H1927 PolarHBondContact N-O 2.98Å; E1923-H1927 PolarHBondContact O-CD2 3.01Å; E1923-H1927 PolarHBondContact O-N 3.05Å; E1923-H1927 VanDerWaalsContact O-N 3.15Å; I1924-H1927 PolarHBondContact O-N 3.05Å; I1924-H1927 VanDerWaalsContact O-N 3.13Å; R1925-H1927 VanDerWaalsContact C-N 3.29Å
1928	I	88.9	Confident	84.9	Confident	2.2 Å²	2.2	39.5 Å²	39.5	1%	0.011	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.9	-176.5	-65.7	174.8	0	0	0	109.6	W1916 I1924 R1925 Q1926 D1930 Q1933 I1940 F1942	W1916-I1928 HydrophobicContact CD2-CD1 4.41Å; W1916-I1928 HydrophobicContact CE3-CD1 4.43Å; W1916-I1928 HydrophobicContact CE3-CG1 4.49Å; W1916-I1928 HydrophobicContact CH2-CD1 4.32Å; W1916-I1928 HydrophobicContact CH2-CG1 4.48Å; W1916-I1928 HydrophobicContact CZ2-CD1 4.17Å; W1916-I1928 HydrophobicContact CZ3-CD1 4.41Å; W1916-I1928 HydrophobicContact CZ3-CG1 4.37Å; I1924-I1928 HydrophobicContact CG2-CD1 3.9Å; I1924-I1928 WeakPolarHBondContact O-CG1 3.41Å; I1924-I1928 PolarHBondContact O-N 3.02Å; R1925-I1928 PolarHBondContact O-N 2.98Å; R1925-I1928 VanDerWaalsContact O-O 3.06Å; Q1926-I1928 VanDerWaalsContact C-N 3.33Å; Q1926-I1928 PolarHBondContact O-N 3.09Å; I1928-D1930 HydrophobicContact CG2-CB 4.26Å; I1928-Q1933 PolarHBondContact O-NE2 2.95Å; I1928-Q1933 VanDerWaalsContact O-NE2 3.15Å; I1928-I1940 HydrophobicContact CD1-CG2 4.43Å; I1928-I1940 HydrophobicContact CG2-CB 3.95Å; I1928-I1940 HydrophobicContact CG2-CD1 3.47Å; I1928-I1940 VanDerWaalsContact CG2-CD1 3.45Å; I1928-I1940 HydrophobicContact CG2-CG1 4.25Å; I1928-I1940 HydrophobicContact CG2-CG2 4.1Å; I1928-F1942 HydrophobicContact CD1-CB 4.06Å; I1928-F1942 HydrophobicContact CD1-CD1 3.64Å; I1928-F1942 HydrophobicContact CD1-CD2 4.33Å; I1928-F1942 HydrophobicContact CD1-CE1 4.18Å; I1928-F1942 HydrophobicContact CD1-CG 3.79Å
1929	F	87.6	Confident	85.2	Confident	11.4 Å²	11.4	39.5 Å²	39.5	5%	0.05	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	109.6	175.9	-159.9	-88.5	0	0	0	110.3	P1859 W1860 Y1894 L1896 I1897 A1898 Q1933 W1934 L1937	P1859-F1929 HydrophobicContact CB-CD1 4.03Å; P1859-F1929 HydrophobicContact CB-CD2 4.26Å; P1859-F1929 HydrophobicContact CB-CE1 3.82Å; P1859-F1929 HydrophobicContact CB-CE2 4.04Å; P1859-F1929 HydrophobicContact CB-CG 4.26Å; P1859-F1929 HydrophobicContact CB-CZ 3.84Å; P1859-F1929 HydrophobicContact CG-CD1 4.28Å; P1859-F1929 HydrophobicContact CG-CD2 4.45Å; P1859-F1929 HydrophobicContact CG-CE1 3.6Å; P1859-F1929 VanDerWaalsContact CG-CE1 3.43Å; P1859-F1929 HydrophobicContact CG-CE2 4.19Å; P1859-F1929 HydrophobicContact CG-CZ 3.55Å; P1859-F1929 VanDerWaalsContact CG-CZ 3.49Å; W1860-F1929 AromaticContact CD1-CE1 3.98Å; W1860-F1929 AromaticContact CD1-CZ 3.89Å; W1860-F1929 HydrophobicContact CD2-CE1 4.38Å; W1860-F1929 AromaticContact CE2-CD1 3.88Å; W1860-F1929 AromaticContact CE2-CE1 3.29Å; W1860-F1929 AromaticContact CE2-CZ 3.77Å; W1860-F1929 HydrophobicContact CH2-CE1 4.49Å; W1860-F1929 HydrophobicContact CZ2-CD1 4.02Å; W1860-F1929 AromaticContact CZ2-CE1 3.3Å; W1860-F1929 HydrophobicContact CZ2-CE1 3.3Å; W1860-F1929 HydrophobicContact CZ2-CZ 4.05Å; W1860-F1929 AromaticContact NE1-CD1 3.73Å; W1860-F1929 AromaticContact NE1-CE1 3.05Å; W1860-F1929 AromaticContact NE1-CE2 3.76Å; W1860-F1929 AromaticContact NE1-CZ 3.03Å; Y1894-F1929 HydrophobicContact CD1-CB 3.89Å; Y1894-F1929 HydrophobicContact CD1-CD2 4.24Å; Y1894-F1929 HydrophobicContact CD1-CG 4.46Å; Y1894-F1929 HydrophobicContact CD2-CB 4.43Å; Y1894-F1929 HydrophobicContact CE1-CB 4.17Å; Y1894-F1929 AromaticContact CE1-CD2 3.65Å; Y1894-F1929 HydrophobicContact CE1-CD2 3.65Å; Y1894-F1929 HydrophobicContact CE1-CE2 4.49Å; Y1894-F1929 HydrophobicContact CE1-CG 4.36Å; Y1894-F1929 AromaticContact CE2-CD2 3.97Å; Y1894-F1929 HydrophobicContact CE2-CD2 4.02Å; Y1894-F1929 HydrophobicContact CE2-CG 4.45Å; Y1894-F1929 HydrophobicContact CG-CB 4.1Å; Y1894-F1929 AromaticContact CZ-CD2 3.51Å; Y1894-F1929 VanDerWaalsContact CZ-CD2 3.48Å; L1896-F1929 PolarHBondContact O-N 2.94Å; I1897-F1929 WeakPolarHBondContact CA-O 3.38Å; I1897-F1929 HydrophobicContact CB-CB 4.45Å; I1897-F1929 HydrophobicContact CD1-CB 4.18Å; I1897-F1929 HydrophobicContact CD1-CD1 4.01Å; I1897-F1929 HydrophobicContact CD1-CE1 4.42Å; I1897-F1929 HydrophobicContact CD1-CG 4.36Å; I1897-F1929 HydrophobicContact CG1-CB 4Å; I1897-F1929 HydrophobicContact CG1-CD1 4.07Å; I1897-F1929 HydrophobicContact CG2-CB 4.4Å; I1897-F1929 HydrophobicContact CG2-CD1 4.31Å; A1898-F1929 PolarHBondContact N-O 3.18Å; F1929-Q1933 HydrophobicContact CD1-CB 4.36Å; F1929-Q1933 HydrophobicContact CD2-CB 3.88Å; F1929-Q1933 HydrophobicContact CD2-CG 3.85Å; F1929-Q1933 HydrophobicContact CE1-CB 3.96Å; F1929-Q1933 HydrophobicContact CE2-CB 3.47Å; F1929-Q1933 VanDerWaalsContact CE2-CB 3.45Å; F1929-Q1933 HydrophobicContact CE2-CG 3.77Å; F1929-Q1933 HydrophobicContact CG-CB 4.31Å; F1929-Q1933 HydrophobicContact CG-CG 4.39Å; F1929-Q1933 HydrophobicContact CZ-CB 3.5Å; F1929-Q1933 VanDerWaalsContact CZ-CB 3.5Å; F1929-Q1933 HydrophobicContact CZ-CG 4.32Å; F1929-W1934 HydrophobicContact CE1-CB 4.19Å; F1929-W1934 AromaticContact CE1-CD2 3.77Å; F1929-W1934 HydrophobicContact CE1-CD2 3.77Å; F1929-W1934 AromaticContact CE1-CE3 3.9Å; F1929-W1934 HydrophobicContact CE1-CE3 4.08Å; F1929-W1934 AromaticContact CE1-CG 3.83Å; F1929-W1934 HydrophobicContact CE1-CG 3.88Å; F1929-W1934 HydrophobicContact CZ-CB 4.48Å; F1929-W1934 AromaticContact CZ-CD1 3.9Å; F1929-W1934 AromaticContact CZ-CD2 3.81Å; F1929-W1934 HydrophobicContact CZ-CD2 3.92Å; F1929-W1934 AromaticContact CZ-CE2 3.92Å; F1929-W1934 HydrophobicContact CZ-CE3 4.29Å; F1929-W1934 AromaticContact CZ-CG 3.89Å; F1929-W1934 HydrophobicContact CZ-CG 3.93Å; F1929-W1934 HydrophobicContact CZ-CZ2 4.43Å; F1929-W1934 AromaticContact CZ-NE1 3.82Å; F1929-L1937 HydrophobicContact CD1-CD1 3.33Å; F1929-L1937 HydrophobicContact CE1-CD1 3.47Å; F1929-L1937 VanDerWaalsContact CE1-CD1 3.45Å
1930	D	89	Confident	85.7	Confident	5.8 Å²	5.8	36.1 Å²	36.1	3%	0.031	18%	0.179	C	C	.	.			trans	-137.7	-167.9	-169.4	83	-2.1	0	0	0	112.9	R1925 I1928 N1932 Q1933 W1934 S1938 L1939 I1940	R1925-D1930 IonicContact NH1-OD2 2.77Å; R1925-D1930 PolarHBondContact NH1-OD2 3.32Å; I1928-D1930 HydrophobicContact CG2-CB 4.26Å; D1930-N1932 PolarHBondContact O-N 3.2Å; D1930-N1932 VanDerWaalsContact O-N 3.09Å; D1930-N1932 VanDerWaalsContact OD1-CB 3.29Å; D1930-N1932 WeakPolarHBondContact OD1-CB 3.31Å; D1930-N1932 PolarHBondContact OD1-N 3.17Å; D1930-N1932 PolarHBondContact OD1-ND2 3.2Å; D1930-N1932 PolarHBondContact OD2-ND2 2.9Å; D1930-Q1933 PolarHBondContact O-N 3.3Å; D1930-Q1933 PolarHBondContact O-OE1 3.07Å; D1930-Q1933 PolarHBondContact OD1-OE1 3.01Å; D1930-W1934 PolarHBondContact O-N 3.23Å; D1930-W1934 VanDerWaalsContact O-N 3.15Å; D1930-S1938 WeakPolarHBondContact CB-O 3.34Å; D1930-L1939 WeakPolarHBondContact OD2-CD1 3.39Å; D1930-I1940 HydrophobicContact CB-CB 4.14Å; D1930-I1940 HydrophobicContact CB-CD1 3.91Å; D1930-I1940 HydrophobicContact CB-CG1 3.88Å; D1930-I1940 PolarHBondContact OD2-N 3.01Å; D1930-I1940 VanDerWaalsContact OD2-N 3.17Å
1931	F	87.7	Confident	86	Confident	3 Å²	3	34.9 Å²	34.9	1%	0.013	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-28.8	177.6	-175.7	-86.9	0	0	0	114.7	I1905 P1906 Q1933 W1934 N1935 L1937 S1938 L1939 R1978 T1999	I1905-F1931 HydrophobicContact CG2-CE2 3.98Å; I1905-F1931 HydrophobicContact CG2-CZ 4.03Å; P1906-F1931 HydrophobicContact CB-CD1 4.32Å; P1906-F1931 HydrophobicContact CB-CD2 4.27Å; P1906-F1931 HydrophobicContact CB-CE1 4.44Å; P1906-F1931 HydrophobicContact CB-CE2 4.39Å; P1906-F1931 HydrophobicContact CB-CG 4.25Å; P1906-F1931 HydrophobicContact CB-CZ 4.44Å; F1931-Q1933 VanDerWaalsContact C-N 3.31Å; F1931-Q1933 PolarHBondContact O-N 2.98Å; F1931-W1934 CarbonylContact C-O 3.49Å; F1931-W1934 VanDerWaalsContact CA-O 3.3Å; F1931-W1934 WeakPolarHBondContact CA-O 3.29Å; F1931-W1934 CarbonylContact O-C 3.47Å; F1931-N1935 HydrophobicContact CD2-CB 4.38Å; F1931-N1935 WeakPolarHBondContact CD2-O 3.41Å; F1931-N1935 HydrophobicContact CE1-CB 4.36Å; F1931-N1935 HydrophobicContact CE2-CB 3.94Å; F1931-N1935 VanDerWaalsContact CE2-O 3.24Å; F1931-N1935 WeakPolarHBondContact CE2-O 3.35Å; F1931-N1935 HydrophobicContact CZ-CB 3.93Å; F1931-N1935 WeakPolarHBondContact O-CA 3.34Å; F1931-N1935 PolarHBondContact O-N 3.28Å; F1931-L1937 VanDerWaalsContact CD2-O 3.29Å; F1931-L1937 WeakPolarHBondContact CD2-O 3.34Å; F1931-S1938 PolarHBondContact N-O 3.17Å; F1931-S1938 VanDerWaalsContact N-O 3.12Å; F1931-L1939 HydrophobicContact CB-CB 4.08Å; F1931-L1939 HydrophobicContact CB-CD1 4.08Å; F1931-L1939 HydrophobicContact CD1-CD1 4.29Å; F1931-L1939 HydrophobicContact CG-CD1 4.47Å; F1931-R1978 HydrophobicContact CD1-CG 3.81Å; F1931-R1978 HydrophobicContact CE1-CG 3.69Å; F1931-T1999 HydrophobicContact CE1-CG2 3.99Å; F1931-T1999 HydrophobicContact CZ-CG2 3.94Å
1932	N	85.5	Confident	86.3	Confident	34 Å²	34	33.3 Å²	33.3	18%	0.182	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-24.1	-179.7	-55.2	-66.3	0	0	0	112.4	R1925 D1930 L1939 G1977 R1978 S1996	R1925-N1932 PolarHBondContact NH2-ND2 3.17Å; D1930-N1932 PolarHBondContact O-N 3.2Å; D1930-N1932 VanDerWaalsContact O-N 3.09Å; D1930-N1932 VanDerWaalsContact OD1-CB 3.29Å; D1930-N1932 WeakPolarHBondContact OD1-CB 3.31Å; D1930-N1932 PolarHBondContact OD1-N 3.17Å; D1930-N1932 PolarHBondContact OD1-ND2 3.2Å; D1930-N1932 PolarHBondContact OD2-ND2 2.9Å; N1932-L1939 VanDerWaalsContact ND2-CD1 3.3Å; N1932-L1939 WeakPolarHBondContact ND2-CD1 3.3Å; N1932-G1977 VanDerWaalsContact O-CA 3.26Å; N1932-G1977 WeakPolarHBondContact O-CA 3.35Å; N1932-G1977 PolarHBondContact O-N 3.34Å; N1932-R1978 WeakPolarHBondContact OD1-CG 3.48Å; N1932-R1978 PolarHBondContact OD1-NE 3.24Å; N1932-R1978 VanDerWaalsContact OD1-NE 3.12Å; N1932-S1996 WeakPolarHBondContact O-CB 3.22Å; N1932-S1996 PolarHBondContact O-OG 3.09Å
1933	Q	85.2	Confident	86.5	Confident	43.8 Å²	43.8	33.3 Å²	33.3	21%	0.205	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-52.3	172.1	-69.2	85.7	-4.7	0	0	110.7	I1928 F1929 D1930 F1931 D1997	I1928-Q1933 PolarHBondContact O-NE2 2.95Å; I1928-Q1933 VanDerWaalsContact O-NE2 3.15Å; F1929-Q1933 HydrophobicContact CD1-CB 4.36Å; F1929-Q1933 HydrophobicContact CD2-CB 3.88Å; F1929-Q1933 HydrophobicContact CD2-CG 3.85Å; F1929-Q1933 HydrophobicContact CE1-CB 3.96Å; F1929-Q1933 HydrophobicContact CE2-CB 3.47Å; F1929-Q1933 VanDerWaalsContact CE2-CB 3.45Å; F1929-Q1933 HydrophobicContact CE2-CG 3.77Å; F1929-Q1933 HydrophobicContact CG-CB 4.31Å; F1929-Q1933 HydrophobicContact CG-CG 4.39Å; F1929-Q1933 HydrophobicContact CZ-CB 3.5Å; F1929-Q1933 VanDerWaalsContact CZ-CB 3.5Å; F1929-Q1933 HydrophobicContact CZ-CG 4.32Å; D1930-Q1933 PolarHBondContact O-N 3.3Å; D1930-Q1933 PolarHBondContact O-OE1 3.07Å; D1930-Q1933 PolarHBondContact OD1-OE1 3.01Å; F1931-Q1933 VanDerWaalsContact C-N 3.31Å; F1931-Q1933 PolarHBondContact O-N 2.98Å; Q1933-D1997 WeakPolarHBondContact O-CB 3.42Å; Q1933-D1997 PolarHBondContact O-N 3.01Å
1934	W	84.5	Confident	86.5	Confident	17.6 Å²	17.6	32.3 Å²	32.3	7%	0.067	16%	0.158	C	C	.	.			trans	-128.8	119.5	176.7	-77.1	1.1	0	0	0	110.7	F1856 P1859 W1860 F1929 D1930 F1931 S1936 L1937 D1997 H2019 H2276	F1856-W1934 HydrophobicContact CE1-CZ2 4.08Å; P1859-W1934 VanDerWaalsContact CD-CH2 3.49Å; P1859-W1934 VanDerWaalsContact CD-CZ2 3.46Å; P1859-W1934 HydrophobicContact CG-CD2 4.29Å; P1859-W1934 HydrophobicContact CG-CE3 4.25Å; P1859-W1934 HydrophobicContact CG-CH2 3.49Å; P1859-W1934 VanDerWaalsContact CG-CH2 3.49Å; P1859-W1934 HydrophobicContact CG-CZ2 3.49Å; P1859-W1934 VanDerWaalsContact CG-CZ2 3.44Å; P1859-W1934 HydrophobicContact CG-CZ3 3.81Å; W1860-W1934 AromaticContact CD1-CH2 3.62Å; W1860-W1934 VanDerWaalsContact CD1-CH2 3.43Å; W1860-W1934 AromaticContact CD1-CZ3 3.8Å; W1860-W1934 HydrophobicContact CD2-CZ3 4.35Å; W1860-W1934 AromaticContact CE2-CD2 3.75Å; W1860-W1934 AromaticContact CE2-CE3 3.55Å; W1860-W1934 AromaticContact CE2-CH2 3.96Å; W1860-W1934 AromaticContact CE2-CZ3 3.72Å; W1860-W1934 HydrophobicContact CE3-CZ3 4.43Å; W1860-W1934 HydrophobicContact CH2-CB 4.48Å; W1860-W1934 AromaticContact CH2-CD2 3.91Å; W1860-W1934 HydrophobicContact CH2-CD2 3.91Å; W1860-W1934 AromaticContact CH2-CE3 3.09Å; W1860-W1934 HydrophobicContact CH2-CE3 3.09Å; W1860-W1934 AromaticContact CH2-CZ3 3.4Å; W1860-W1934 HydrophobicContact CH2-CZ3 3.4Å; W1860-W1934 VanDerWaalsContact CH2-CZ3 3.4Å; W1860-W1934 HydrophobicContact CZ2-CB 3.87Å; W1860-W1934 AromaticContact CZ2-CD2 3.13Å; W1860-W1934 HydrophobicContact CZ2-CD2 3.13Å; W1860-W1934 AromaticContact CZ2-CE2 3.96Å; W1860-W1934 AromaticContact CZ2-CE3 2.77Å; W1860-W1934 HydrophobicContact CZ2-CE3 2.77Å; W1860-W1934 AromaticContact CZ2-CG 3.65Å; W1860-W1934 HydrophobicContact CZ2-CG 3.65Å; W1860-W1934 HydrophobicContact CZ2-CH2 4.03Å; W1860-W1934 HydrophobicContact CZ2-CZ2 4.38Å; W1860-W1934 AromaticContact CZ2-CZ3 3.22Å; W1860-W1934 HydrophobicContact CZ2-CZ3 3.9Å; W1860-W1934 HydrophobicContact CZ3-CE3 4.15Å; W1860-W1934 HydrophobicContact CZ3-CZ3 4.04Å; W1860-W1934 AromaticContact NE1-CD2 3.99Å; W1860-W1934 AromaticContact NE1-CE2 3.94Å; W1860-W1934 AromaticContact NE1-CH2 3.4Å; W1860-W1934 AromaticContact NE1-CZ3 3.23Å; W1860-W1934 VanDerWaalsContact NE1-CZ3 3.32Å; F1929-W1934 HydrophobicContact CE1-CB 4.19Å; F1929-W1934 AromaticContact CE1-CD2 3.77Å; F1929-W1934 HydrophobicContact CE1-CD2 3.77Å; F1929-W1934 AromaticContact CE1-CE3 3.9Å; F1929-W1934 HydrophobicContact CE1-CE3 4.08Å; F1929-W1934 AromaticContact CE1-CG 3.83Å; F1929-W1934 HydrophobicContact CE1-CG 3.88Å; F1929-W1934 HydrophobicContact CZ-CB 4.48Å; F1929-W1934 AromaticContact CZ-CD1 3.9Å; F1929-W1934 AromaticContact CZ-CD2 3.81Å; F1929-W1934 HydrophobicContact CZ-CD2 3.92Å; F1929-W1934 AromaticContact CZ-CE2 3.92Å; F1929-W1934 HydrophobicContact CZ-CE3 4.29Å; F1929-W1934 AromaticContact CZ-CG 3.89Å; F1929-W1934 HydrophobicContact CZ-CG 3.93Å; F1929-W1934 HydrophobicContact CZ-CZ2 4.43Å; F1929-W1934 AromaticContact CZ-NE1 3.82Å; D1930-W1934 PolarHBondContact O-N 3.23Å; D1930-W1934 VanDerWaalsContact O-N 3.15Å; F1931-W1934 CarbonylContact C-O 3.49Å; F1931-W1934 VanDerWaalsContact CA-O 3.3Å; F1931-W1934 WeakPolarHBondContact CA-O 3.29Å; F1931-W1934 CarbonylContact O-C 3.47Å; W1934-S1936 PolarHBondContact O-N 3.07Å; W1934-L1937 HydrophobicContact CB-CD1 4.03Å; W1934-L1937 HydrophobicContact CB-CG 3.98Å; W1934-L1937 HydrophobicContact CE3-CD1 4.44Å; W1934-L1937 HydrophobicContact CE3-CD2 4.45Å; W1934-L1937 HydrophobicContact CE3-CG 4.49Å; W1934-L1937 VanDerWaalsContact O-CB 3.3Å; W1934-L1937 WeakPolarHBondContact O-CB 3.31Å; W1934-L1937 PolarHBondContact O-N 3.05Å; W1934-D1997 VanDerWaalsContact CA-OD2 3.29Å; W1934-D1997 WeakPolarHBondContact CA-OD2 3.34Å; W1934-H2019 HydrophobicContact CZ2-CB 4.17Å; W1934-H2276 AromaticContact CD1-CD2 3.65Å; W1934-H2276 VanDerWaalsContact CD1-CD2 3.47Å; W1934-H2276 AromaticContact CD1-NE2 3.68Å; W1934-H2276 HydrophobicContact CD2-CB 4.22Å; W1934-H2276 AromaticContact CD2-CD2 3.31Å; W1934-H2276 VanDerWaalsContact CD2-CD2 3.43Å; W1934-H2276 AromaticContact CD2-CG 3.73Å; W1934-H2276 AromaticContact CD2-NE2 3.74Å; W1934-H2276 AromaticContact CE2-CD2 3.59Å; W1934-H2276 HydrophobicContact CE3-CB 3.74Å; W1934-H2276 VanDerWaalsContact CE3-CB 3.46Å; W1934-H2276 AromaticContact CE3-CD2 3.57Å; W1934-H2276 AromaticContact CE3-CG 3.42Å; W1934-H2276 AromaticContact CE3-ND1 3.98Å; W1934-H2276 AromaticContact CG-CD2 3.44Å; W1934-H2276 VanDerWaalsContact CG-CD2 3.45Å; W1934-H2276 AromaticContact CG-NE2 3.44Å; W1934-H2276 HydrophobicContact CH2-CB 4.07Å; W1934-H2276 HydrophobicContact CZ2-CB 4.47Å; W1934-H2276 HydrophobicContact CZ3-CB 3.69Å; W1934-H2276 VanDerWaalsContact CZ3-CB 3.45Å; W1934-H2276 AromaticContact CZ3-CG 3.89Å; W1934-H2276 AromaticContact NE1-CD2 3.76Å
1935	N	85.2	Confident	86.5	Confident	10.4 Å²	10.4	33.7 Å²	33.7	6%	0.056	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-0.4	-175.8	61.7	35.2	0	0	0	114.7	F1931 L1937 D1997 T1999 L2023 R2237 H2276 F2404	F1931-N1935 HydrophobicContact CD2-CB 4.38Å; F1931-N1935 WeakPolarHBondContact CD2-O 3.41Å; F1931-N1935 HydrophobicContact CE1-CB 4.36Å; F1931-N1935 HydrophobicContact CE2-CB 3.94Å; F1931-N1935 VanDerWaalsContact CE2-O 3.24Å; F1931-N1935 WeakPolarHBondContact CE2-O 3.35Å; F1931-N1935 HydrophobicContact CZ-CB 3.93Å; F1931-N1935 WeakPolarHBondContact O-CA 3.34Å; F1931-N1935 PolarHBondContact O-N 3.28Å; N1935-L1937 VanDerWaalsContact C-N 3.34Å; N1935-D1997 HydrophobicContact CB-CB 4.29Å; N1935-D1997 VanDerWaalsContact CG-OD2 3.27Å; N1935-D1997 PolarHBondContact N-OD2 3.14Å; N1935-D1997 PolarHBondContact ND2-OD2 2.99Å; N1935-D1997 VanDerWaalsContact ND2-OD2 3.14Å; N1935-D1997 PolarHBondContact OD1-OD2 3.06Å; N1935-T1999 WeakPolarHBondContact CB-OG1 3.17Å; N1935-L2023 HydrophobicContact CB-CD2 4.16Å; N1935-L2023 VanDerWaalsContact ND2-CB 3.25Å; N1935-L2023 WeakPolarHBondContact ND2-CB 3.23Å; N1935-R2237 VanDerWaalsContact CG-NH2 3.26Å; N1935-R2237 PolarHBondContact ND2-NH2 3.1Å; N1935-R2237 VanDerWaalsContact ND2-NH2 3.15Å; N1935-R2237 PolarHBondContact OD1-NH1 3.05Å; N1935-R2237 PolarHBondContact OD1-NH2 3.22Å; N1935-H2276 PolarHBondContact OD1-CE1 3.09Å; N1935-F2404 WeakPolarHBondContact O-CZ 3.33Å
1936	S	81.2	Confident	86.5	Confident	47 Å²	47	28.8 Å²	28.8	33%	0.329	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.2	168.7	56	0	0	0	0	113.2	W1934 H2276	W1934-S1936 PolarHBondContact O-N 3.07Å; S1936-H2276 VanDerWaalsContact CB-ND1 3.32Å; S1936-H2276 WeakPolarHBondContact CB-ND1 3.4Å; S1936-H2276 PolarHBondContact OG-CE1 2.98Å; S1936-H2276 VanDerWaalsContact OG-CE1 3.26Å; S1936-H2276 PolarHBondContact OG-ND1 3.04Å
1937	L	86.2	Confident	86.3	Confident	9.2 Å²	9.2	25.3 Å²	25.3	5%	0.048	13%	0.134	C	C	.	.	S	Bend	trans	-87.8	177.3	-178.7	-63	-174.4	0	0	0	112.2	W1860 F1868 I1897 A1898 N1907 F1929 F1931 W1934 N1935	W1860-L1937 HydrophobicContact CH2-CD1 3.62Å; W1860-L1937 HydrophobicContact CH2-CD2 3.86Å; W1860-L1937 HydrophobicContact CH2-CG 3.52Å; W1860-L1937 HydrophobicContact CZ2-CD1 3.52Å; W1860-L1937 HydrophobicContact CZ2-CD2 4.08Å; W1860-L1937 HydrophobicContact CZ2-CG 3.89Å; W1860-L1937 HydrophobicContact CZ3-CD1 4.44Å; W1860-L1937 HydrophobicContact CZ3-CD2 3.68Å; W1860-L1937 HydrophobicContact CZ3-CG 4.39Å; F1868-L1937 HydrophobicContact CE1-CD2 4.46Å; I1897-L1937 HydrophobicContact CD1-CD1 4.11Å; I1897-L1937 HydrophobicContact CG1-CD1 3.95Å; I1897-L1937 HydrophobicContact CG1-CD2 4.49Å; I1897-L1937 HydrophobicContact CG2-CD1 4.31Å; A1898-L1937 CarbonylContact O-C 3.51Å; A1898-L1937 WeakPolarHBondContact O-CA 3.43Å; A1898-L1937 VanDerWaalsContact O-CB 3.27Å; A1898-L1937 WeakPolarHBondContact O-CB 3.47Å; A1898-L1937 WeakPolarHBondContact O-CD2 3.44Å; N1907-L1937 PolarHBondContact OD1-O 2.79Å; F1929-L1937 HydrophobicContact CD1-CD1 3.33Å; F1929-L1937 HydrophobicContact CE1-CD1 3.47Å; F1929-L1937 VanDerWaalsContact CE1-CD1 3.45Å; F1931-L1937 VanDerWaalsContact CD2-O 3.29Å; F1931-L1937 WeakPolarHBondContact CD2-O 3.34Å; W1934-L1937 HydrophobicContact CB-CD1 4.03Å; W1934-L1937 HydrophobicContact CB-CG 3.98Å; W1934-L1937 HydrophobicContact CE3-CD1 4.44Å; W1934-L1937 HydrophobicContact CE3-CD2 4.45Å; W1934-L1937 HydrophobicContact CE3-CG 4.49Å; W1934-L1937 VanDerWaalsContact O-CB 3.3Å; W1934-L1937 WeakPolarHBondContact O-CB 3.31Å; W1934-L1937 PolarHBondContact O-N 3.05Å; N1935-L1937 VanDerWaalsContact C-N 3.34Å
1938	S	88.6	Confident	85.8	Confident	0.8 Å²	0.8	26.5 Å²	26.5	1%	0.006	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-95	148.7	171.3	-65.6	0	0	0	0	110.8	A1898 I1900 N1907 D1930 F1931 I1940	A1898-S1938 PolarHBondContact O-N 3.08Å; I1900-S1938 WeakPolarHBondContact CB-OG 3.37Å; I1900-S1938 PolarHBondContact N-OG 2.42Å; I1900-S1938 PolarHBondContact O-OG 3.08Å; I1900-S1938 VanDerWaalsContact O-OG 3.07Å; N1907-S1938 WeakPolarHBondContact CB-OG 3.47Å; N1907-S1938 PolarHBondContact ND2-OG 3.04Å; N1907-S1938 VanDerWaalsContact ND2-OG 3.15Å; N1907-S1938 VanDerWaalsContact OD1-CA 3.25Å; N1907-S1938 WeakPolarHBondContact OD1-CA 3.06Å; D1930-S1938 WeakPolarHBondContact CB-O 3.34Å; F1931-S1938 PolarHBondContact N-O 3.17Å; F1931-S1938 VanDerWaalsContact N-O 3.12Å; S1938-I1940 PolarHBondContact O-N 3.32Å
1939	L	89.4	Confident	84.9	Confident	15.8 Å²	15.8	29.2 Å²	29.2	8%	0.083	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.7	175.2	-166.2	86.4	0	0	0	109.6	P1906 N1907 F1908 L1909 D1930 F1931 N1932 R1978	P1906-L1939 HydrophobicContact CB-CB 4.2Å; P1906-L1939 HydrophobicContact CG-CD2 4.4Å; N1907-L1939 VanDerWaalsContact O-CB 3.32Å; N1907-L1939 WeakPolarHBondContact O-CB 3.27Å; N1907-L1939 PolarHBondContact O-N 3.18Å; F1908-L1939 CarbonylContact C-O 3.58Å; F1908-L1939 VanDerWaalsContact CA-O 3.31Å; F1908-L1939 WeakPolarHBondContact CA-O 3.36Å; F1908-L1939 HydrophobicContact CD1-CB 4.31Å; F1908-L1939 HydrophobicContact CD1-CD2 3.86Å; F1908-L1939 HydrophobicContact CD1-CG 4.48Å; F1908-L1939 HydrophobicContact CE1-CB 4.37Å; F1908-L1939 HydrophobicContact CE1-CD2 3.5Å; F1908-L1939 VanDerWaalsContact CE1-CD2 3.44Å; F1908-L1939 HydrophobicContact CE1-CG 4.48Å; F1908-L1939 HydrophobicContact CZ-CD2 4.26Å; L1909-L1939 PolarHBondContact N-O 2.99Å; D1930-L1939 WeakPolarHBondContact OD2-CD1 3.39Å; F1931-L1939 HydrophobicContact CB-CB 4.08Å; F1931-L1939 HydrophobicContact CB-CD1 4.08Å; F1931-L1939 HydrophobicContact CD1-CD1 4.29Å; F1931-L1939 HydrophobicContact CG-CD1 4.47Å; N1932-L1939 VanDerWaalsContact ND2-CD1 3.3Å; N1932-L1939 WeakPolarHBondContact ND2-CD1 3.3Å; L1939-R1978 VanDerWaalsContact CD1-CZ 3.47Å; L1939-R1978 VanDerWaalsContact CD1-NE 3.27Å
1940	I	91.1	Very high	83.7	Confident	4.4 Å²	4.4	34.7 Å²	34.7	2%	0.023	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117	-178.2	-67.5	171.1	0	0	0	109.3	L1896 A1898 L1909 A1911 I1928 D1930 S1938 F1942	L1896-I1940 HydrophobicContact CB-CD1 4.37Å; L1896-I1940 HydrophobicContact CD2-CD1 3.84Å; L1896-I1940 HydrophobicContact CD2-CG1 4.36Å; L1896-I1940 HydrophobicContact CD2-CG2 3.87Å; L1896-I1940 HydrophobicContact CG-CD1 3.75Å; A1898-I1940 HydrophobicContact CB-CD1 3.75Å; A1898-I1940 HydrophobicContact CB-CG1 3.68Å; A1898-I1940 VanDerWaalsContact CB-CG1 3.47Å; L1909-I1940 HydrophobicContact CB-CG1 4.4Å; L1909-I1940 HydrophobicContact CD2-CG1 4.39Å; A1911-I1940 HydrophobicContact CB-CG2 3.62Å; I1928-I1940 HydrophobicContact CD1-CG2 4.43Å; I1928-I1940 HydrophobicContact CG2-CB 3.95Å; I1928-I1940 HydrophobicContact CG2-CD1 3.47Å; I1928-I1940 VanDerWaalsContact CG2-CD1 3.45Å; I1928-I1940 HydrophobicContact CG2-CG1 4.25Å; I1928-I1940 HydrophobicContact CG2-CG2 4.1Å; D1930-I1940 HydrophobicContact CB-CB 4.14Å; D1930-I1940 HydrophobicContact CB-CD1 3.91Å; D1930-I1940 HydrophobicContact CB-CG1 3.88Å; D1930-I1940 PolarHBondContact OD2-N 3.01Å; D1930-I1940 VanDerWaalsContact OD2-N 3.17Å; S1938-I1940 PolarHBondContact O-N 3.32Å; I1940-F1942 HydrophobicContact CG2-CB 4.36Å; I1940-F1942 HydrophobicContact CG2-CD1 4.38Å; I1940-F1942 WeakPolarHBondContact O-CD1 3.42Å; I1940-F1942 PolarHBondContact O-N 3.13Å
1941	N	90.6	Very high	82.1	Confident	40.8 Å²	40.8	39.1 Å²	39.1	22%	0.218	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	90.9	175.2	-178.9	6.3	0	0	0	110.1	F1908 L1909 A1911 Q1912 N1943	F1908-N1941 HydrophobicContact CD1-CB 4.49Å; L1909-N1941 WeakPolarHBondContact O-CB 3.45Å; L1909-N1941 PolarHBondContact O-N 2.91Å; A1911-N1941 CarbonylContact C-O 3.49Å; A1911-N1941 WeakPolarHBondContact CA-O 3.39Å; A1911-N1941 PolarHBondContact N-O 3.17Å; Q1912-N1941 VanDerWaalsContact CG-O 3.29Å; Q1912-N1941 WeakPolarHBondContact CG-O 3.39Å; Q1912-N1941 PolarHBondContact N-O 3.03Å; Q1912-N1941 VanDerWaalsContact N-O 3.11Å; Q1912-N1941 PolarHBondContact NE2-ND2 3.23Å; Q1912-N1941 VanDerWaalsContact NE2-ND2 3.13Å; Q1912-N1941 PolarHBondContact NE2-OD1 3.21Å; Q1912-N1941 VanDerWaalsContact NE2-OD1 3.1Å; N1941-N1943 VanDerWaalsContact C-N 3.34Å; N1941-N1943 WeakPolarHBondContact OD1-CB 3.35Å; N1941-N1943 VanDerWaalsContact OD1-CG 3.32Å; N1941-N1943 PolarHBondContact OD1-N 3.02Å; N1941-N1943 PolarHBondContact OD1-ND2 3.02Å
1942	F	88.9	Confident	80.3	Confident	13.2 Å²	13.2	45.9 Å²	45.9	6%	0.058	25%	0.247	C	C	.	.			trans	-98.9	16.5	176.8	66.5	-88.7	0	0	0	113.5	W1916 I1921 I1924 R1925 I1928 I1940 Y1945	W1916-F1942 HydrophobicContact CZ2-CB 4.27Å; I1921-F1942 HydrophobicContact CD1-CE2 4.17Å; I1921-F1942 HydrophobicContact CD1-CZ 4.35Å; I1921-F1942 HydrophobicContact CG1-CE2 4.05Å; I1921-F1942 HydrophobicContact CG1-CZ 4.38Å; I1924-F1942 HydrophobicContact CG2-CD2 3.82Å; I1924-F1942 HydrophobicContact CG2-CE2 3.89Å; I1924-F1942 HydrophobicContact CG2-CG 4.41Å; I1924-F1942 HydrophobicContact CG2-CZ 4.46Å; R1925-F1942 HydrophobicContact CG-CE1 4.25Å; R1925-F1942 HydrophobicContact CG-CZ 3.78Å; I1928-F1942 HydrophobicContact CD1-CB 4.06Å; I1928-F1942 HydrophobicContact CD1-CD1 3.64Å; I1928-F1942 HydrophobicContact CD1-CD2 4.33Å; I1928-F1942 HydrophobicContact CD1-CE1 4.18Å; I1928-F1942 HydrophobicContact CD1-CG 3.79Å; I1940-F1942 HydrophobicContact CG2-CB 4.36Å; I1940-F1942 HydrophobicContact CG2-CD1 4.38Å; I1940-F1942 WeakPolarHBondContact O-CD1 3.42Å; I1940-F1942 PolarHBondContact O-N 3.13Å; F1942-Y1945 HydrophobicContact CD2-CD1 4.36Å; F1942-Y1945 PolarHBondContact O-N 3.12Å
1943	N	84.2	Confident	78.6	Confident	80.8 Å²	80.8	48.4 Å²	48.4	43%	0.432	26%	0.264	S	S	.	.			trans	-57.2	153.5	177.7	-68.6	-29.2	0	0	0	111.2	Q1912 N1941 Y1945 P1963	Q1912-N1943 WeakPolarHBondContact CA-O 3.33Å; Q1912-N1943 VanDerWaalsContact CB-O 3.28Å; Q1912-N1943 WeakPolarHBondContact CB-O 3.28Å; Q1912-N1943 WeakPolarHBondContact CG-O 3.42Å; N1941-N1943 VanDerWaalsContact C-N 3.34Å; N1941-N1943 WeakPolarHBondContact OD1-CB 3.35Å; N1941-N1943 VanDerWaalsContact OD1-CG 3.32Å; N1941-N1943 PolarHBondContact OD1-N 3.02Å; N1941-N1943 PolarHBondContact OD1-ND2 3.02Å; N1943-Y1945 VanDerWaalsContact C-N 3.29Å; N1943-Y1945 PolarHBondContact O-N 2.78Å; N1943-P1963 WeakPolarHBondContact OD1-CG 3.48Å
1944	N	84.3	Confident	76.7	Confident	60.8 Å²	60.8	49.9 Å²	49.9	33%	0.325	28%	0.279	S	S	.	.	S	Bend	trans	57.8	42.6	-174.6	-54.1	-28.3	0	0	0	112.7	Q1913 L1956 L1960 S1961	Q1913-N1944 VanDerWaalsContact CA-O 3.29Å; Q1913-N1944 WeakPolarHBondContact CA-O 3.34Å; Q1913-N1944 PolarHBondContact N-O 3.03Å; Q1913-N1944 VanDerWaalsContact N-O 3.12Å; N1944-L1956 HydrophobicContact CB-CD2 3.93Å; N1944-L1960 HydrophobicContact CB-CD2 3.76Å; N1944-L1960 HydrophobicContact CB-CG 4.11Å; N1944-S1961 WeakPolarHBondContact CA-O 3.44Å
1945	Y	84.9	Confident	75	Confident	29 Å²	29	55.9 Å²	55.9	11%	0.114	31%	0.312	C	S	.	.			trans	-63.9	150.3	175	61	-89.9	0	0	0	111.3	N1914 S1919 I1921 I1924 F1942 N1943 T1947 S1957 L1960 S1961	N1914-Y1945 WeakPolarHBondContact O-CA 3.43Å; S1919-Y1945 PolarHBondContact O-OH 2.99Å; S1919-Y1945 VanDerWaalsContact O-OH 3.05Å; I1921-Y1945 HydrophobicContact CD1-CD1 4.46Å; I1921-Y1945 HydrophobicContact CD1-CE1 4.18Å; I1921-Y1945 HydrophobicContact CG1-CE1 4.4Å; I1924-Y1945 HydrophobicContact CD1-CD1 4.08Å; I1924-Y1945 HydrophobicContact CD1-CD2 3.56Å; I1924-Y1945 VanDerWaalsContact CD1-CD2 3.46Å; I1924-Y1945 HydrophobicContact CD1-CE1 4.1Å; I1924-Y1945 HydrophobicContact CD1-CE2 3.57Å; I1924-Y1945 VanDerWaalsContact CD1-CE2 3.44Å; I1924-Y1945 HydrophobicContact CD1-CG 3.83Å; F1942-Y1945 HydrophobicContact CD2-CD1 4.36Å; F1942-Y1945 PolarHBondContact O-N 3.12Å; N1943-Y1945 VanDerWaalsContact C-N 3.29Å; N1943-Y1945 PolarHBondContact O-N 2.78Å; Y1945-T1947 HydrophobicContact CE2-CG2 4.46Å; Y1945-S1957 WeakPolarHBondContact CD1-OG 3.21Å; Y1945-S1957 PolarHBondContact N-OG 3.48Å; Y1945-S1957 WeakPolarHBondContact O-CB 3.45Å; Y1945-S1957 PolarHBondContact O-N 2.88Å; Y1945-S1957 PolarHBondContact O-OG 3.17Å; Y1945-L1960 HydrophobicContact CE1-CD1 4.26Å; Y1945-S1961 WeakPolarHBondContact CD1-OG 3.3Å; Y1945-S1961 WeakPolarHBondContact CD2-OG 3.34Å; Y1945-S1961 WeakPolarHBondContact CE1-OG 3.33Å; Y1945-S1961 WeakPolarHBondContact CE2-OG 3.29Å; Y1945-S1961 PolarHBondContact N-OG 3.07Å; Y1945-S1961 PolarHBondContact O-N 3.17Å; Y1945-S1961 PolarHBondContact O-OG 2.85Å
1946	L	84.2	Confident	73.4	Confident	14.6 Å²	14.6	60.6 Å²	60.6	8%	0.076	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-75	140.4	176.7	-58	175.9	0	0	0	109.2	Q1913 N1914 Y1915 F1949 L1956 P1958 L1960	Q1913-L1946 VanDerWaalsContact O-CD1 3.27Å; Q1913-L1946 WeakPolarHBondContact O-CD1 3.36Å; Q1913-L1946 VanDerWaalsContact O-CG 3.32Å; Q1913-L1946 WeakPolarHBondContact O-CG 3.28Å; N1914-L1946 PolarHBondContact O-N 3.01Å; Y1915-L1946 HydrophobicContact CD2-CB 4.43Å; Y1915-L1946 WeakPolarHBondContact CD2-O 3.38Å; L1946-F1949 HydrophobicContact CD1-CD2 4.11Å; L1946-L1956 HydrophobicContact CD2-CD2 4.49Å; L1946-L1956 HydrophobicContact CD2-CG 4.37Å; L1946-P1958 HydrophobicContact CD2-CB 3.63Å; L1946-P1958 HydrophobicContact CD2-CG 3.83Å; L1946-L1960 HydrophobicContact CD2-CD1 4.19Å
1947	T	79.4	Confident	72.1	Confident	59.2 Å²	59.2	61.6 Å²	61.6	36%	0.363	34%	0.344	S	S	.	.	S	Bend	trans	-91.3	-18.2	175.9	50.5	0	0	0	0	113.2	Y1915 Y1945 N1955 K1959	Y1915-T1947 VanDerWaalsContact CE2-O 3.28Å; Y1915-T1947 WeakPolarHBondContact CE2-O 3.24Å; Y1945-T1947 HydrophobicContact CE2-CG2 4.46Å; T1947-N1955 PolarHBondContact N-O 3.46Å; T1947-N1955 VanDerWaalsContact N-O 3.09Å; T1947-N1955 PolarHBondContact OG1-O 3.15Å; T1947-K1959 PolarHBondContact N-O 2.83Å; T1947-K1959 VanDerWaalsContact OG1-CB 3.27Å; T1947-K1959 WeakPolarHBondContact OG1-CB 3.25Å; T1947-K1959 PolarHBondContact OG1-O 2.91Å; T1947-K1959 VanDerWaalsContact OG1-O 3.05Å
1948	S	75.5	Confident	70.5	Confident	53 Å²	53	65.6 Å²	65.6	37%	0.371	37%	0.37	S	S	.	.	S	Bend	trans	-148.7	143.9	173.7	58.2	0	0	0	0	109.2	H1950	S1948-H1950 VanDerWaalsContact C-N 3.34Å; S1948-H1950 PolarHBondContact O-N 3.37Å
1949	F	70.3	Confident	68.6	Low	58.6 Å²	58.6	74.1 Å²	74.1	26%	0.257	41%	0.407	S	S	.	.			trans	-88.2	96.8	172.9	-172.1	-101.2	0	0	0	110.3	I1840 S1879 Y1915 L1946 P1951	I1840-F1949 HydrophobicContact CD1-CE1 3.67Å; I1840-F1949 HydrophobicContact CD1-CE2 3.86Å; I1840-F1949 HydrophobicContact CD1-CZ 3.88Å; I1840-F1949 HydrophobicContact CG1-CE1 3.86Å; I1840-F1949 HydrophobicContact CG1-CE2 3.67Å; I1840-F1949 HydrophobicContact CG1-CZ 3.81Å; I1840-F1949 VanDerWaalsContact CG1-CZ 3.43Å; S1879-F1949 VanDerWaalsContact OG-CD2 3.24Å; S1879-F1949 WeakPolarHBondContact OG-CD2 3.41Å; Y1915-F1949 HydrophobicContact CD1-CB 3.83Å; Y1915-F1949 HydrophobicContact CD2-CB 4.46Å; Y1915-F1949 HydrophobicContact CE1-CB 4.33Å; Y1915-F1949 HydrophobicContact CG-CB 3.87Å; L1946-F1949 HydrophobicContact CD1-CD2 4.11Å; F1949-P1951 HydrophobicContact CD1-CG 4.32Å; F1949-P1951 HydrophobicContact CE1-CG 4.11Å; F1949-P1951 WeakPolarHBondContact O-CD 3.31Å; F1949-P1951 VanDerWaalsContact O-N 3.15Å
1950	H	62.6	Low	66.8	Low	126.2 Å²	126.2	77.8 Å²	77.8	58%	0.584	43%	0.427	S	S	*	.			trans	-113.4	121.9	173.7	-117.6	-26.3	0	0	0	109.8	S1948 I1952 T1953	S1948-H1950 VanDerWaalsContact C-N 3.34Å; S1948-H1950 PolarHBondContact O-N 3.37Å; H1950-I1952 PolarHBondContact O-N 3.19Å; H1950-I1952 VanDerWaalsContact O-N 3.11Å; H1950-T1953 WeakPolarHBondContact CB-O 3.46Å; H1950-T1953 VanDerWaalsContact CB-OG1 3.27Å; H1950-T1953 WeakPolarHBondContact CB-OG1 3.29Å; H1950-T1953 VanDerWaalsContact CG-OG1 3.24Å
1951	P	53.8	Low	64.9	Low	98.6 Å²	98.6	80.9 Å²	80.9	64%	0.64	45%	0.448	S	S	*	.	S	Bend	trans	-65	0.8	-176.5	14.9	-20.1	0	0	0	113.2	I1840 F1949 T1953	I1840-P1951 HydrophobicContact CD1-CB 4.02Å; I1840-P1951 HydrophobicContact CD1-CG 3.85Å; F1949-P1951 HydrophobicContact CD1-CG 4.32Å; F1949-P1951 HydrophobicContact CE1-CG 4.11Å; F1949-P1951 WeakPolarHBondContact O-CD 3.31Å; F1949-P1951 VanDerWaalsContact O-N 3.15Å; P1951-T1953 PolarHBondContact O-N 2.96Å; P1951-T1953 PolarHBondContact O-OG1 2.83Å
1952	I	51.1	Low	62.9	Low	145.2 Å²	145.2	84.4 Å²	84.4	75%	0.745	47%	0.471	S	S	*	.	S	Bend	trans	-103.9	-11.8	-171.4	-55.5	173.1	0	0	0	111.5	H1950 S1954	H1950-I1952 PolarHBondContact O-N 3.19Å; H1950-I1952 VanDerWaalsContact O-N 3.11Å; I1952-S1954 PolarHBondContact O-N 3.1Å
1953	T	48.7	Very low	60.9	Low	87.8 Å²	87.8	88.2 Å²	88.2	54%	0.539	50%	0.497	S	S	.	.			trans	-118.7	70.3	-178.8	53.2	0	0	0	0	111.3	H1950 P1951 N1955 L1956	H1950-T1953 WeakPolarHBondContact CB-O 3.46Å; H1950-T1953 VanDerWaalsContact CB-OG1 3.27Å; H1950-T1953 WeakPolarHBondContact CB-OG1 3.29Å; H1950-T1953 VanDerWaalsContact CG-OG1 3.24Å; P1951-T1953 PolarHBondContact O-N 2.96Å; P1951-T1953 PolarHBondContact O-OG1 2.83Å; T1953-N1955 PolarHBondContact O-N 3.18Å; T1953-L1956 PolarHBondContact O-N 3.07Å
1954	S	45.8	Very low	59.2	Low	75.8 Å²	75.8	88.9 Å²	88.9	53%	0.53	51%	0.507	S	S	.	.			trans	-108	102.5	164.1	54.7	0	0	0	0	111	I1952 L1956	I1952-S1954 PolarHBondContact O-N 3.1Å; S1954-L1956 PolarHBondContact O-N 3.26Å
1955	N	50	Low	57.2	Low	142.4 Å²	142.4	95.6 Å²	95.6	76%	0.761	53%	0.533	S	S	*	.			trans	-74.4	75.7	170.5	-71.3	-18.1	0	0	0	111	T1947 T1953 S1957	T1947-N1955 PolarHBondContact N-O 3.46Å; T1947-N1955 VanDerWaalsContact N-O 3.09Å; T1947-N1955 PolarHBondContact OG1-O 3.15Å; T1953-N1955 PolarHBondContact O-N 3.18Å; N1955-S1957 VanDerWaalsContact C-N 3.34Å; N1955-S1957 PolarHBondContact O-N 2.94Å
1956	L	50.5	Low	55.2	Low	109.6 Å²	109.6	99.8 Å²	99.8	57%	0.574	56%	0.555	S	S	*	*	B	Isolated β-bridge	trans	-79.8	125.2	171.8	-80.5	128.3	0	0	0	108.9	Q1913 N1944 L1946 T1953 S1954 P1958	Q1913-L1956 HydrophobicContact CG-CD2 4.16Å; N1944-L1956 HydrophobicContact CB-CD2 3.93Å; L1946-L1956 HydrophobicContact CD2-CD2 4.49Å; L1946-L1956 HydrophobicContact CD2-CG 4.37Å; T1953-L1956 PolarHBondContact O-N 3.07Å; S1954-L1956 PolarHBondContact O-N 3.26Å; L1956-P1958 WeakPolarHBondContact O-CD 3.45Å
1957	S	53.1	Low	53.3	Low	67 Å²	67	104.9 Å²	104.9	47%	0.469	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-60.8	129.6	165.2	23.3	0	0	0	0	108.8	Y1945 N1955 K1959	Y1945-S1957 WeakPolarHBondContact CD1-OG 3.21Å; Y1945-S1957 PolarHBondContact N-OG 3.48Å; Y1945-S1957 WeakPolarHBondContact O-CB 3.45Å; Y1945-S1957 PolarHBondContact O-N 2.88Å; Y1945-S1957 PolarHBondContact O-OG 3.17Å; N1955-S1957 VanDerWaalsContact C-N 3.34Å; N1955-S1957 PolarHBondContact O-N 2.94Å; S1957-K1959 PolarHBondContact O-N 3Å
1958	P	52.6	Low	51.7	Low	93.8 Å²	93.8	107.3 Å²	107.3	61%	0.609	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-59.9	129.8	173.7	23	-30.4	0	0	0	108.8	L1946 L1956 L1960	L1946-P1958 HydrophobicContact CD2-CB 3.63Å; L1946-P1958 HydrophobicContact CD2-CG 3.83Å; L1956-P1958 WeakPolarHBondContact O-CD 3.45Å; P1958-L1960 VanDerWaalsContact C-N 3.32Å; P1958-L1960 HydrophobicContact CB-CD1 4.14Å; P1958-L1960 HydrophobicContact CG-CD1 3.86Å; P1958-L1960 VanDerWaalsContact O-CD1 3.27Å; P1958-L1960 WeakPolarHBondContact O-CD1 3.43Å; P1958-L1960 PolarHBondContact O-N 3.28Å; P1958-L1960 VanDerWaalsContact O-N 3.12Å
1959	K	50.1	Low	50.5	Low	179.8 Å²	179.8	110.8 Å²	110.8	78%	0.782	61%	0.613	S	S	*	*			trans	-59.4	103.6	170.1	-97.2	-177.4	179.1	178.4	0	107.8	T1947 S1957 S1961	T1947-K1959 PolarHBondContact N-O 2.83Å; T1947-K1959 VanDerWaalsContact OG1-CB 3.27Å; T1947-K1959 WeakPolarHBondContact OG1-CB 3.25Å; T1947-K1959 PolarHBondContact OG1-O 2.91Å; T1947-K1959 VanDerWaalsContact OG1-O 3.05Å; S1957-K1959 PolarHBondContact O-N 3Å; K1959-S1961 PolarHBondContact O-N 3.13Å
1960	L	51.8	Low	50.1	Low	93.8 Å²	93.8	114.2 Å²	114.2	49%	0.491	63%	0.628	S	S	.	*			trans	-58.2	120.2	170.5	-113.4	76.2	0	0	0	108	I1921 N1944 Y1945 L1946 P1958 T1962	I1921-L1960 HydrophobicContact CD1-CD1 3.61Å; I1921-L1960 HydrophobicContact CD1-CD2 4.04Å; I1921-L1960 HydrophobicContact CD1-CG 4.09Å; N1944-L1960 HydrophobicContact CB-CD2 3.76Å; N1944-L1960 HydrophobicContact CB-CG 4.11Å; Y1945-L1960 HydrophobicContact CE1-CD1 4.26Å; L1946-L1960 HydrophobicContact CD2-CD1 4.19Å; P1958-L1960 VanDerWaalsContact C-N 3.32Å; P1958-L1960 HydrophobicContact CB-CD1 4.14Å; P1958-L1960 HydrophobicContact CG-CD1 3.86Å; P1958-L1960 VanDerWaalsContact O-CD1 3.27Å; P1958-L1960 WeakPolarHBondContact O-CD1 3.43Å; P1958-L1960 PolarHBondContact O-N 3.28Å; P1958-L1960 VanDerWaalsContact O-N 3.12Å; L1960-T1962 PolarHBondContact O-N 3.06Å; L1960-T1962 VanDerWaalsContact O-N 3.11Å
1961	S	51.4	Low	50.1	Low	68.6 Å²	68.6	109.7 Å²	109.7	48%	0.48	61%	0.609	S	S	.	*			trans	-67.5	126.6	166.5	47.4	0	0	0	0	107.7	N1944 Y1945 K1959 P1963	N1944-S1961 WeakPolarHBondContact CA-O 3.44Å; Y1945-S1961 WeakPolarHBondContact CD1-OG 3.3Å; Y1945-S1961 WeakPolarHBondContact CD2-OG 3.34Å; Y1945-S1961 WeakPolarHBondContact CE1-OG 3.33Å; Y1945-S1961 WeakPolarHBondContact CE2-OG 3.29Å; Y1945-S1961 PolarHBondContact N-OG 3.07Å; Y1945-S1961 PolarHBondContact O-N 3.17Å; Y1945-S1961 PolarHBondContact O-OG 2.85Å; K1959-S1961 PolarHBondContact O-N 3.13Å; S1961-P1963 WeakPolarHBondContact O-CD 3.45Å
1962	T	46.8	Very low	50.5	Low	114.4 Å²	114.4	109.3 Å²	109.3	70%	0.702	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-42.8	133.6	168.6	47.8	0	0	0	0	111.3	L1960 P1964	L1960-T1962 PolarHBondContact O-N 3.06Å; L1960-T1962 VanDerWaalsContact O-N 3.11Å; T1962-P1964 VanDerWaalsContact O-N 3.17Å
1963	P	47.8	Very low	51.1	Low	92.2 Å²	92.2	108 Å²	108	60%	0.599	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-53.3	133.9	176.2	22.7	-32.3	0	0	0	109.1	I1921 N1943 S1961 K1965	I1921-P1963 HydrophobicContact CD1-CB 3.72Å; N1943-P1963 WeakPolarHBondContact OD1-CG 3.48Å; S1961-P1963 WeakPolarHBondContact O-CD 3.45Å; P1963-K1965 PolarHBondContact O-N 3.1Å; P1963-K1965 VanDerWaalsContact O-N 3.08Å
1964	P	47.5	Very low	51.9	Low	97.2 Å²	97.2	105.1 Å²	105.1	63%	0.631	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-55.5	129.6	-177.7	21.7	-31.1	0	0	0	108.8	I1921 T1962 M1966	I1921-P1964 HydrophobicContact CD1-CG 3.76Å; T1962-P1964 VanDerWaalsContact O-N 3.17Å; P1964-M1966 PolarHBondContact O-N 3.17Å; P1964-M1966 VanDerWaalsContact O-N 3.11Å
1965	K	42.6	Very low	53.5	Low	201.6 Å²	201.6	101.6 Å²	101.6	88%	0.877	55%	0.546	S	S	*	.			trans	-53.8	108.4	171	-83.5	-177.8	174.8	-179.4	0	107.2	P1963 N1967	P1963-K1965 PolarHBondContact O-N 3.1Å; P1963-K1965 VanDerWaalsContact O-N 3.08Å; K1965-N1967 PolarHBondContact O-N 3Å
1966	M	42.8	Very low	54.8	Low	117.4 Å²	117.4	98 Å²	98	58%	0.578	53%	0.527	S	S	*	.			trans	-60.3	119	177.8	-77	177.3	123.5	0	0	107.9	R1925 P1964 P1968 L1969 V1974 S1981	R1925-M1966 PolarHBondContact NH1-SD 3.47Å; R1925-M1966 VanDerWaalsContact NH1-SD 3.38Å; P1964-M1966 PolarHBondContact O-N 3.17Å; P1964-M1966 VanDerWaalsContact O-N 3.11Å; M1966-P1968 VanDerWaalsContact O-CD 3.23Å; M1966-P1968 WeakPolarHBondContact O-CD 3.34Å; M1966-L1969 HydrophobicContact CB-CD1 4.38Å; M1966-L1969 HydrophobicContact CE-CD1 4Å; M1966-L1969 HydrophobicContact CG-CD1 4.01Å; M1966-L1969 HydrophobicContact CG-CG 4.45Å; M1966-L1969 HydrophobicContact SD-CD1 3.7Å; M1966-V1974 HydrophobicContact CE-CB 4.16Å; M1966-V1974 HydrophobicContact CE-CG1 3.55Å; M1966-V1974 HydrophobicContact CE-CG2 3.9Å; M1966-V1974 HydrophobicContact SD-CG1 4.23Å; M1966-V1974 HydrophobicContact SD-CG2 4.21Å; M1966-S1981 PolarHBondContact SD-OG 3.41Å
1967	N	44.3	Very low	56.4	Low	120.6 Å²	120.6	92.9 Å²	92.9	65%	0.645	50%	0.501	S	S	*	.			trans	-74.6	122.2	164.5	-95.4	-16.5	0	0	0	107.2	K1965 L1969 K1970	K1965-N1967 PolarHBondContact O-N 3Å; N1967-L1969 WeakPolarHBondContact O-CA 3.32Å; N1967-L1969 PolarHBondContact O-N 3.06Å; N1967-K1970 PolarHBondContact O-N 2.67Å
1968	P	46.4	Very low	58	Low	109.2 Å²	109.2	92.5 Å²	92.5	71%	0.709	49%	0.489	S	S	*	.			trans	-61.6	67.8	177.9	24.9	-32.5	0	0	0	110.4	M1966 K1970 V1971 V1974	M1966-P1968 VanDerWaalsContact O-CD 3.23Å; M1966-P1968 WeakPolarHBondContact O-CD 3.34Å; P1968-K1970 VanDerWaalsContact C-N 3.29Å; P1968-K1970 PolarHBondContact O-N 3.3Å; P1968-V1971 WeakPolarHBondContact O-CG2 3.37Å; P1968-V1974 HydrophobicContact CB-CG2 3.62Å; P1968-V1974 HydrophobicContact CG-CG2 3.77Å
1969	L	50.7	Low	59.8	Low	127.6 Å²	127.6	88.1 Å²	88.1	67%	0.668	46%	0.46	S	S	*	.			trans	-74.8	30.2	-177.1	-73.9	153	0	0	0	112.1	M1966 N1967 V1971 E1973 V1974	M1966-L1969 HydrophobicContact CB-CD1 4.38Å; M1966-L1969 HydrophobicContact CE-CD1 4Å; M1966-L1969 HydrophobicContact CG-CD1 4.01Å; M1966-L1969 HydrophobicContact CG-CG 4.45Å; M1966-L1969 HydrophobicContact SD-CD1 3.7Å; N1967-L1969 WeakPolarHBondContact O-CA 3.32Å; N1967-L1969 PolarHBondContact O-N 3.06Å; L1969-V1971 PolarHBondContact O-N 2.91Å; L1969-E1973 HydrophobicContact CB-CB 4.24Å; L1969-E1973 HydrophobicContact CD2-CB 3.97Å; L1969-E1973 HydrophobicContact CD2-CG 4.42Å; L1969-E1973 VanDerWaalsContact CD2-OE2 3.26Å; L1969-E1973 WeakPolarHBondContact CD2-OE2 3.48Å; L1969-V1974 HydrophobicContact CB-CG2 3.57Å; L1969-V1974 VanDerWaalsContact CB-CG2 3.43Å; L1969-V1974 HydrophobicContact CD1-CG2 3.89Å; L1969-V1974 HydrophobicContact CG-CG2 4.16Å
1970	K	60.9	Low	61.5	Low	130.2 Å²	130.2	85.1 Å²	85.1	57%	0.566	45%	0.449	S	S	*	.			trans	-99.5	108.7	175.6	-71.3	-177.8	178.9	176.2	0	110.2	N1967 P1968 E1972 E1973 V1974	N1967-K1970 PolarHBondContact O-N 2.67Å; P1968-K1970 VanDerWaalsContact C-N 3.29Å; P1968-K1970 PolarHBondContact O-N 3.3Å; K1970-E1972 PolarHBondContact O-N 2.97Å; K1970-E1972 VanDerWaalsContact O-N 3.12Å; K1970-E1973 HydrophobicContact CB-CB 4.35Å; K1970-E1973 HydrophobicContact CB-CG 4.32Å; K1970-E1973 HydrophobicContact CD-CG 4.21Å; K1970-E1973 VanDerWaalsContact CD-OE1 3.24Å; K1970-E1973 WeakPolarHBondContact CD-OE1 3.45Å; K1970-E1973 WeakPolarHBondContact CD-OE2 3.25Å; K1970-E1973 WeakPolarHBondContact CE-OE1 3.32Å; K1970-E1973 PolarHBondContact N-OE2 2.95Å; K1970-E1973 IonicContact NZ-OE1 3.35Å; K1970-E1973 PolarHBondContact NZ-OE1 3.32Å; K1970-E1973 IonicContact NZ-OE2 2.68Å; K1970-E1973 WeakPolarHBondContact O-CA 3.4Å; K1970-E1973 WeakPolarHBondContact O-CB 3.43Å; K1970-E1973 PolarHBondContact O-N 3.1Å; K1970-V1974 WeakPolarHBondContact O-CG2 3.46Å; K1970-V1974 PolarHBondContact O-N 2.87Å
1971	V	63.4	Low	63.2	Low	31.2 Å²	31.2	84.2 Å²	84.2	19%	0.189	45%	0.451	C	S	.	.	H	α-helix	trans	-51.7	-32.6	179	-179.8	0	0	0	0	112.6	P1968 L1969 E1973 V1974 L1975 L1983 V1985 Y1992	P1968-V1971 WeakPolarHBondContact O-CG2 3.37Å; L1969-V1971 PolarHBondContact O-N 2.91Å; V1971-E1973 VanDerWaalsContact C-N 3.32Å; V1971-E1973 PolarHBondContact O-N 3.08Å; V1971-V1974 WeakPolarHBondContact O-CB 3.38Å; V1971-V1974 PolarHBondContact O-N 3.13Å; V1971-V1974 VanDerWaalsContact O-N 3.14Å; V1971-L1975 HydrophobicContact CG1-CD1 3.79Å; V1971-L1975 HydrophobicContact CG1-CG 4.05Å; V1971-L1975 VanDerWaalsContact O-CG 3.3Å; V1971-L1975 WeakPolarHBondContact O-CG 3.2Å; V1971-L1975 PolarHBondContact O-N 3.22Å; V1971-L1975 VanDerWaalsContact O-N 3.07Å; V1971-L1983 HydrophobicContact CG1-CD1 4.42Å; V1971-L1983 HydrophobicContact CG2-CD1 4.36Å; V1971-V1985 HydrophobicContact CG1-CG1 4.4Å; V1971-V1985 HydrophobicContact CG1-CG2 4.3Å; V1971-Y1992 HydrophobicContact CB-CE1 4.16Å; V1971-Y1992 HydrophobicContact CG1-CD1 4.47Å; V1971-Y1992 HydrophobicContact CG1-CE1 3.95Å
1972	E	63.1	Low	64.9	Low	90 Å²	90	86.4 Å²	86.4	42%	0.421	46%	0.457	S	S	.	.	H	α-helix	trans	-64.7	-29.7	175.9	-66.8	-178.6	162.5	0	0	114.1	K1970 V1974 N1976 R1988 K1990 Y1992	K1970-E1972 PolarHBondContact O-N 2.97Å; K1970-E1972 VanDerWaalsContact O-N 3.12Å; E1972-V1974 VanDerWaalsContact C-N 3.33Å; E1972-V1974 PolarHBondContact O-N 3.26Å; E1972-N1976 PolarHBondContact O-ND2 3.18Å; E1972-N1976 VanDerWaalsContact O-ND2 3.13Å; E1972-R1988 VanDerWaalsContact CD-NH1 3.31Å; E1972-R1988 IonicContact OE1-CZ 3.26Å; E1972-R1988 VanDerWaalsContact OE1-CZ 3.23Å; E1972-R1988 IonicContact OE1-NH1 3.12Å; E1972-R1988 PolarHBondContact OE1-NH1 3.18Å; E1972-R1988 IonicContact OE1-NH2 3.13Å; E1972-R1988 PolarHBondContact OE1-NH2 3.04Å; E1972-R1988 IonicContact OE2-NH1 3.65Å; E1972-K1990 IonicContact OE1-NZ 3.08Å; E1972-K1990 PolarHBondContact OE1-NZ 3.45Å; E1972-K1990 IonicContact OE2-NZ 3.82Å; E1972-Y1992 HydrophobicContact CG-CD1 4.23Å; E1972-Y1992 HydrophobicContact CG-CE1 4.35Å
1973	E	63.1	Low	67	Low	117.8 Å²	117.8	81.9 Å²	81.9	55%	0.55	43%	0.428	S	S	*	.	H	α-helix	trans	-78.8	-24.6	175.4	-68.5	173.3	179.3	0	0	111.6	L1969 K1970 V1971	L1969-E1973 HydrophobicContact CB-CB 4.24Å; L1969-E1973 HydrophobicContact CD2-CB 3.97Å; L1969-E1973 HydrophobicContact CD2-CG 4.42Å; L1969-E1973 VanDerWaalsContact CD2-OE2 3.26Å; L1969-E1973 WeakPolarHBondContact CD2-OE2 3.48Å; K1970-E1973 HydrophobicContact CB-CB 4.35Å; K1970-E1973 HydrophobicContact CB-CG 4.32Å; K1970-E1973 HydrophobicContact CD-CG 4.21Å; K1970-E1973 VanDerWaalsContact CD-OE1 3.24Å; K1970-E1973 WeakPolarHBondContact CD-OE1 3.45Å; K1970-E1973 WeakPolarHBondContact CD-OE2 3.25Å; K1970-E1973 WeakPolarHBondContact CE-OE1 3.32Å; K1970-E1973 PolarHBondContact N-OE2 2.95Å; K1970-E1973 IonicContact NZ-OE1 3.35Å; K1970-E1973 PolarHBondContact NZ-OE1 3.32Å; K1970-E1973 IonicContact NZ-OE2 2.68Å; K1970-E1973 WeakPolarHBondContact O-CA 3.4Å; K1970-E1973 WeakPolarHBondContact O-CB 3.43Å; K1970-E1973 PolarHBondContact O-N 3.1Å; V1971-E1973 VanDerWaalsContact C-N 3.32Å; V1971-E1973 PolarHBondContact O-N 3.08Å
1974	V	65.4	Low	69	Low	26.2 Å²	26.2	82.4 Å²	82.4	16%	0.159	42%	0.422	C	S	.	.	H	α-helix	trans	-86.1	-28.4	-177.9	-176.5	0	0	0	0	112.6	M1966 P1968 L1969 K1970 V1971 E1972 N1976 I1979 L1983	M1966-V1974 HydrophobicContact CE-CB 4.16Å; M1966-V1974 HydrophobicContact CE-CG1 3.55Å; M1966-V1974 HydrophobicContact CE-CG2 3.9Å; M1966-V1974 HydrophobicContact SD-CG1 4.23Å; M1966-V1974 HydrophobicContact SD-CG2 4.21Å; P1968-V1974 HydrophobicContact CB-CG2 3.62Å; P1968-V1974 HydrophobicContact CG-CG2 3.77Å; L1969-V1974 HydrophobicContact CB-CG2 3.57Å; L1969-V1974 VanDerWaalsContact CB-CG2 3.43Å; L1969-V1974 HydrophobicContact CD1-CG2 3.89Å; L1969-V1974 HydrophobicContact CG-CG2 4.16Å; K1970-V1974 WeakPolarHBondContact O-CG2 3.46Å; K1970-V1974 PolarHBondContact O-N 2.87Å; V1971-V1974 WeakPolarHBondContact O-CB 3.38Å; V1971-V1974 PolarHBondContact O-N 3.13Å; V1971-V1974 VanDerWaalsContact O-N 3.14Å; E1972-V1974 VanDerWaalsContact C-N 3.33Å; E1972-V1974 PolarHBondContact O-N 3.26Å; V1974-N1976 PolarHBondContact O-N 2.91Å; V1974-I1979 HydrophobicContact CG1-CG1 4.3Å; V1974-L1983 HydrophobicContact CB-CD1 4.46Å; V1974-L1983 HydrophobicContact CB-CD2 4.46Å; V1974-L1983 HydrophobicContact CG1-CD1 4.11Å; V1974-L1983 HydrophobicContact CG1-CD2 3.95Å
1975	L	78.1	Confident	71.1	Confident	2.8 Å²	2.8	77.8 Å²	77.8	2%	0.015	39%	0.392	C	S	.	.	S	Bend	trans	-76.7	32.8	-179.8	-72	168.6	0	0	0	113.8	V1971 I1979 L1983 V1985 Y1992 I1994 I1998 F2014	V1971-L1975 HydrophobicContact CG1-CD1 3.79Å; V1971-L1975 HydrophobicContact CG1-CG 4.05Å; V1971-L1975 VanDerWaalsContact O-CG 3.3Å; V1971-L1975 WeakPolarHBondContact O-CG 3.2Å; V1971-L1975 PolarHBondContact O-N 3.22Å; V1971-L1975 VanDerWaalsContact O-N 3.07Å; L1975-I1979 HydrophobicContact CD2-CD1 4.4Å; L1975-L1983 HydrophobicContact CD2-CD2 3.91Å; L1975-L1983 HydrophobicContact CG-CD2 4.34Å; L1975-V1985 HydrophobicContact CD1-CG1 4.4Å; L1975-V1985 HydrophobicContact CD2-CG2 4.23Å; L1975-Y1992 HydrophobicContact CD1-CD1 3.51Å; L1975-Y1992 VanDerWaalsContact CD1-CD1 3.49Å; L1975-Y1992 HydrophobicContact CD1-CE1 4.06Å; L1975-Y1992 HydrophobicContact CD1-CG 4.04Å; L1975-I1994 HydrophobicContact CB-CD1 3.89Å; L1975-I1994 HydrophobicContact CD1-CD1 4.19Å; L1975-I1994 HydrophobicContact CG-CD1 4.46Å; L1975-I1998 HydrophobicContact CB-CD1 4.18Å; L1975-I1998 HydrophobicContact CD2-CD1 4.06Å; L1975-I1998 WeakPolarHBondContact O-CD1 3.01Å; L1975-I1998 WeakPolarHBondContact O-CG1 3.16Å; L1975-F2014 HydrophobicContact CD1-CE1 3.93Å; L1975-F2014 HydrophobicContact CD2-CE1 4.25Å
1976	N	77.8	Confident	73.4	Confident	67.2 Å²	67.2	70.4 Å²	70.4	36%	0.359	36%	0.364	S	S	.	.	S	Bend	trans	-134.9	114.8	176.7	-65.7	-50.8	0	0	0	109.1	E1972 V1974 M1995 S1996	E1972-N1976 PolarHBondContact O-ND2 3.18Å; E1972-N1976 VanDerWaalsContact O-ND2 3.13Å; V1974-N1976 PolarHBondContact O-N 2.91Å; N1976-M1995 PolarHBondContact OD1-N 3.09Å; N1976-S1996 VanDerWaalsContact CA-OG 3.28Å; N1976-S1996 WeakPolarHBondContact CA-OG 3.3Å; N1976-S1996 VanDerWaalsContact CB-OG 3.32Å; N1976-S1996 WeakPolarHBondContact CB-OG 3.41Å; N1976-S1996 PolarHBondContact O-OG 2.82Å; N1976-S1996 PolarHBondContact OD1-N 3.25Å; N1976-S1996 PolarHBondContact OD1-OG 3.33Å
1977	G	84.6	Confident	75.5	Confident	1.4 Å²	1.4	67.4 Å²	67.4	1%	0.014	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.1	-132.9	-179.9	0	0	0	0	0	113.7	N1932 S1996 D1997 I1998 T1999	N1932-G1977 VanDerWaalsContact O-CA 3.26Å; N1932-G1977 WeakPolarHBondContact O-CA 3.35Å; N1932-G1977 PolarHBondContact O-N 3.34Å; G1977-S1996 PolarHBondContact N-OG 3.12Å; G1977-D1997 WeakPolarHBondContact CA-O 3.27Å; G1977-D1997 PolarHBondContact N-O 2.96Å; G1977-I1998 CarbonylContact O-C 3.52Å; G1977-I1998 WeakPolarHBondContact O-CA 3.41Å; G1977-T1999 PolarHBondContact O-N 2.88Å
1978	R	87.7	Confident	77.6	Confident	60.2 Å²	60.2	65.6 Å²	65.6	23%	0.227	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.4	-171.1	-64	-179.7	-61.3	129.8	24.5	112.2	F1931 N1932 L1939 E1980 T1999 M2001	F1931-R1978 HydrophobicContact CD1-CG 3.81Å; F1931-R1978 HydrophobicContact CE1-CG 3.69Å; N1932-R1978 WeakPolarHBondContact OD1-CG 3.48Å; N1932-R1978 PolarHBondContact OD1-NE 3.24Å; N1932-R1978 VanDerWaalsContact OD1-NE 3.12Å; L1939-R1978 VanDerWaalsContact CD1-CZ 3.47Å; L1939-R1978 VanDerWaalsContact CD1-NE 3.27Å; R1978-E1980 HydrophobicContact CB-CG 4.43Å; R1978-E1980 IonicContact CZ-OE1 2.97Å; R1978-E1980 VanDerWaalsContact CZ-OE1 3.27Å; R1978-E1980 IonicContact NE-OE1 2.66Å; R1978-E1980 IonicContact NH1-OE1 2.95Å; R1978-E1980 PolarHBondContact NH1-OE1 2.92Å; R1978-E1980 IonicContact NH2-OE1 3.16Å; R1978-E1980 PolarHBondContact NH2-OE1 3.02Å; R1978-T1999 WeakPolarHBondContact CA-O 3.19Å; R1978-M2001 HydrophobicContact CB-CG 4.33Å; R1978-M2001 HydrophobicContact CB-SD 4.47Å; R1978-M2001 HydrophobicContact CG-SD 4.29Å
1979	I	88.9	Confident	79.4	Confident	1.4 Å²	1.4	69.4 Å²	69.4	1%	0.007	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	106.6	170.5	-56.1	175.2	0	0	0	107.7	V1974 L1975 S1981 L1983 I1998 T1999 V2000 M2001 V2004 L2006	V1974-I1979 HydrophobicContact CG1-CG1 4.3Å; L1975-I1979 HydrophobicContact CD2-CD1 4.4Å; I1979-S1981 VanDerWaalsContact CG2-O 3.27Å; I1979-S1981 WeakPolarHBondContact CG2-O 3.34Å; I1979-L1983 HydrophobicContact CD1-CD2 3.84Å; I1979-L1983 HydrophobicContact CG1-CD2 4.42Å; I1979-L1983 HydrophobicContact CG2-CB 3.94Å; I1979-L1983 HydrophobicContact CG2-CD2 4.39Å; I1979-I1998 HydrophobicContact CD1-CG2 3.5Å; I1979-I1998 VanDerWaalsContact CD1-CG2 3.47Å; I1979-I1998 HydrophobicContact CG1-CG2 4.13Å; I1979-T1999 PolarHBondContact N-O 3.18Å; I1979-V2000 HydrophobicContact CD1-CG2 4.28Å; I1979-M2001 WeakPolarHBondContact O-CB 3.37Å; I1979-M2001 WeakPolarHBondContact O-CG 3.37Å; I1979-M2001 PolarHBondContact O-N 3.15Å; I1979-M2001 VanDerWaalsContact O-N 3.13Å; I1979-V2004 HydrophobicContact CG2-CG1 3.97Å; I1979-L2006 HydrophobicContact CD1-CD1 4.2Å; I1979-L2006 HydrophobicContact CD1-CD2 4.33Å
1980	E	85.6	Confident	81.2	Confident	115.8 Å²	115.8	69.7 Å²	69.7	54%	0.541	35%	0.348	S	S	.	.			trans	-98.4	-9.2	-174.8	-64.9	-177.9	167.7	0	0	113.8	R1978 M2001 V2004	R1978-E1980 HydrophobicContact CB-CG 4.43Å; R1978-E1980 IonicContact CZ-OE1 2.97Å; R1978-E1980 VanDerWaalsContact CZ-OE1 3.27Å; R1978-E1980 IonicContact NE-OE1 2.66Å; R1978-E1980 IonicContact NH1-OE1 2.95Å; R1978-E1980 PolarHBondContact NH1-OE1 2.92Å; R1978-E1980 IonicContact NH2-OE1 3.16Å; R1978-E1980 PolarHBondContact NH2-OE1 3.02Å; E1980-M2001 HydrophobicContact CG-CG 4.31Å; E1980-V2004 VanDerWaalsContact C-CG2 3.47Å; E1980-V2004 VanDerWaalsContact O-CG2 3.3Å; E1980-V2004 WeakPolarHBondContact O-CG2 3.43Å
1981	S	87.4	Confident	82.5	Confident	76 Å²	76	65 Å²	65	53%	0.531	33%	0.33	S	S	.	.	S	Bend	trans	-139.2	155.1	177.3	63.7	0	0	0	0	110.8	M1966 I1979 L1983 V2004	M1966-S1981 PolarHBondContact SD-OG 3.41Å; I1979-S1981 VanDerWaalsContact CG2-O 3.27Å; I1979-S1981 WeakPolarHBondContact CG2-O 3.34Å; S1981-L1983 PolarHBondContact O-N 3.02Å; S1981-V2004 VanDerWaalsContact O-CG1 3.29Å; S1981-V2004 WeakPolarHBondContact O-CG1 3.37Å
1982	D	88.9	Confident	83.8	Confident	113.8 Å²	113.8	63.9 Å²	63.9	61%	0.609	32%	0.323	S	S	*	.			trans	-51.9	130.9	-178.5	-63.1	-16.4	0	0	0	111.4	E2005	D1982-E2005 CarbonylContact C-O 3.5Å; D1982-E2005 VanDerWaalsContact CA-O 3.28Å; D1982-E2005 WeakPolarHBondContact CA-O 3.25Å; D1982-E2005 PolarHBondContact OD1-N 3.08Å
1983	L	90	Very high	84.9	Confident	19.4 Å²	19.4	63.7 Å²	63.7	10%	0.102	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.1	-173.7	-176.5	66.8	0	0	0	110.2	V1971 V1974 L1975 I1979 S1981 V1985 E2005 L2006 Q2007	V1971-L1983 HydrophobicContact CG1-CD1 4.42Å; V1971-L1983 HydrophobicContact CG2-CD1 4.36Å; V1974-L1983 HydrophobicContact CB-CD1 4.46Å; V1974-L1983 HydrophobicContact CB-CD2 4.46Å; V1974-L1983 HydrophobicContact CG1-CD1 4.11Å; V1974-L1983 HydrophobicContact CG1-CD2 3.95Å; L1975-L1983 HydrophobicContact CD2-CD2 3.91Å; L1975-L1983 HydrophobicContact CG-CD2 4.34Å; I1979-L1983 HydrophobicContact CD1-CD2 3.84Å; I1979-L1983 HydrophobicContact CG1-CD2 4.42Å; I1979-L1983 HydrophobicContact CG2-CB 3.94Å; I1979-L1983 HydrophobicContact CG2-CD2 4.39Å; S1981-L1983 PolarHBondContact O-N 3.02Å; L1983-V1985 HydrophobicContact CD2-CG2 4.21Å; L1983-V1985 HydrophobicContact CG-CG2 4.26Å; L1983-E2005 PolarHBondContact N-O 3.18Å; L1983-L2006 HydrophobicContact CB-CD1 4.05Å; L1983-L2006 HydrophobicContact CD2-CD1 3.95Å; L1983-L2006 HydrophobicContact CG-CD1 4.18Å; L1983-Q2007 PolarHBondContact O-N 3.02Å
1984	F	90.5	Very high	86.1	Confident	104 Å²	104	58.1 Å²	58.1	46%	0.456	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.9	169.2	179.8	-101.2	0	0	0	109.8	P1986 Q2007 E2009	F1984-P1986 HydrophobicContact CD1-CB 4.44Å; F1984-P1986 HydrophobicContact CE1-CB 3.95Å; F1984-P1986 WeakPolarHBondContact O-CD 3.37Å; F1984-Q2007 WeakPolarHBondContact CA-O 3.32Å; F1984-Q2007 HydrophobicContact CD2-CB 3.9Å; F1984-E2009 HydrophobicContact CE2-CB 4.38Å; F1984-E2009 HydrophobicContact CZ-CB 4.03Å; F1984-E2009 HydrophobicContact CZ-CG 4.34Å
1985	V	91.1	Very high	86.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	105.2	178.2	-176	0	0	0	0	109.2	V1971 L1975 L1983 Y1992 L2006 Q2007 E2009 V2012 F2014	V1971-V1985 HydrophobicContact CG1-CG1 4.4Å; V1971-V1985 HydrophobicContact CG1-CG2 4.3Å; L1975-V1985 HydrophobicContact CD1-CG1 4.4Å; L1975-V1985 HydrophobicContact CD2-CG2 4.23Å; L1983-V1985 HydrophobicContact CD2-CG2 4.21Å; L1983-V1985 HydrophobicContact CG-CG2 4.26Å; V1985-Y1992 HydrophobicContact CG1-CD2 4.07Å; V1985-Y1992 HydrophobicContact CG1-CE1 4.24Å; V1985-Y1992 HydrophobicContact CG1-CE2 3.56Å; V1985-Y1992 VanDerWaalsContact CG1-CE2 3.49Å; V1985-Y1992 HydrophobicContact CG1-CG 4.48Å; V1985-L2006 HydrophobicContact CG2-CD1 3.86Å; V1985-Q2007 PolarHBondContact N-O 3.24Å; V1985-E2009 WeakPolarHBondContact O-CB 3.37Å; V1985-E2009 PolarHBondContact O-N 2.97Å; V1985-E2009 VanDerWaalsContact O-N 3.11Å; V1985-V2012 HydrophobicContact CG1-CG1 4.03Å; V1985-V2012 HydrophobicContact CG1-CG2 4.29Å; V1985-F2014 HydrophobicContact CG1-CE1 4.42Å; V1985-F2014 HydrophobicContact CG1-CZ 3.97Å; V1985-F2014 HydrophobicContact CG2-CZ 4.38Å
1986	P	90.4	Very high	87.3	Confident	46.2 Å²	46.2	61.8 Å²	61.8	30%	0.3	31%	0.313	S	S	.	.			trans	-75.7	152.7	-178.7	29.7	-34.1	0	0	0	112.5	F1984 Y1992 E2009	F1984-P1986 HydrophobicContact CD1-CB 4.44Å; F1984-P1986 HydrophobicContact CE1-CB 3.95Å; F1984-P1986 WeakPolarHBondContact O-CD 3.37Å; P1986-Y1992 WeakPolarHBondContact O-CE2 3.33Å; P1986-Y1992 PolarHBondContact O-OH 3.06Å; P1986-E2009 VanDerWaalsContact CA-OE2 3.28Å; P1986-E2009 WeakPolarHBondContact CA-OE2 3.23Å
1987	S	88	Confident	87.8	Confident	54 Å²	54	58.7 Å²	58.7	38%	0.378	30%	0.296	S	S	.	.			trans	-69.9	139.8	174.3	-164.7	0	0	0	0	111.3	E2009 A2010	S1987-E2009 WeakPolarHBondContact CB-OE2 3.34Å; S1987-E2009 PolarHBondContact N-OE2 3.04Å; S1987-A2010 VanDerWaalsContact CB-O 3.27Å; S1987-A2010 WeakPolarHBondContact CB-O 3.35Å; S1987-A2010 PolarHBondContact OG-O 2.92Å
1988	R	88	Confident	88.2	Confident	83.6 Å²	83.6	58.8 Å²	58.8	32%	0.315	30%	0.296	S	S	.	.			trans	-156.3	158.9	-179.9	63.3	174.4	-161.2	174.2	5.5	111.6	E1972 K1990 P1991 Y1992	E1972-R1988 VanDerWaalsContact CD-NH1 3.31Å; E1972-R1988 IonicContact OE1-CZ 3.26Å; E1972-R1988 VanDerWaalsContact OE1-CZ 3.23Å; E1972-R1988 IonicContact OE1-NH1 3.12Å; E1972-R1988 PolarHBondContact OE1-NH1 3.18Å; E1972-R1988 IonicContact OE1-NH2 3.13Å; E1972-R1988 PolarHBondContact OE1-NH2 3.04Å; E1972-R1988 IonicContact OE2-NH1 3.65Å; R1988-K1990 VanDerWaalsContact C-N 3.31Å; R1988-K1990 WeakPolarHBondContact CD-O 3.25Å; R1988-K1990 VanDerWaalsContact CG-O 3.29Å; R1988-K1990 WeakPolarHBondContact CG-O 3.2Å; R1988-K1990 PolarHBondContact NE-O 3.12Å; R1988-K1990 PolarHBondContact NH2-O 2.03Å; R1988-K1990 PolarHBondContact O-N 3.1Å; R1988-P1991 PolarHBondContact NH2-O 2.98Å; R1988-Y1992 HydrophobicContact CG-CD2 4.37Å; R1988-Y1992 HydrophobicContact CG-CE2 3.83Å; R1988-Y1992 VanDerWaalsContact CZ-CD1 3.44Å; R1988-Y1992 VanDerWaalsContact CZ-CE1 3.44Å; R1988-Y1992 VanDerWaalsContact NE-CZ 3.35Å; R1988-Y1992 VanDerWaalsContact NH2-CD1 3.35Å
1989	L	84.6	Confident	88.4	Confident	187.6 Å²	187.6	55.9 Å²	55.9	98%	0.982	29%	0.285	S	S	*	.	S	Bend	trans	-64.9	-29.8	-179.2	-68.8	170.9	0	0	0	114.1
1990	K	86.9	Confident	88.5	Confident	135.4 Å²	135.4	55.8 Å²	55.8	59%	0.589	29%	0.285	S	S	*	.	S	Bend	trans	-94.2	131.3	-179.4	-137.5	-172.6	175.4	-168.4	0	110.5	E1972 R1988	E1972-K1990 IonicContact OE1-NZ 3.08Å; E1972-K1990 PolarHBondContact OE1-NZ 3.45Å; E1972-K1990 IonicContact OE2-NZ 3.82Å; R1988-K1990 VanDerWaalsContact C-N 3.31Å; R1988-K1990 WeakPolarHBondContact CD-O 3.25Å; R1988-K1990 VanDerWaalsContact CG-O 3.29Å; R1988-K1990 WeakPolarHBondContact CG-O 3.2Å; R1988-K1990 PolarHBondContact NE-O 3.12Å; R1988-K1990 PolarHBondContact NH2-O 2.03Å; R1988-K1990 PolarHBondContact O-N 3.1Å
1991	P	88.6	Confident	88.7	Confident	30 Å²	30	51.3 Å²	51.3	20%	0.195	26%	0.264	C	S	.	.			trans	-59	148.4	175.4	15.6	-21.2	0	0	0	112	R1988 K1993 K2013 E2015	R1988-P1991 PolarHBondContact NH2-O 2.98Å; P1991-K1993 PolarHBondContact O-N 2.93Å; P1991-K2013 CarbonylContact C-O 3.39Å; P1991-K2013 WeakPolarHBondContact CA-O 3.19Å; P1991-K2013 HydrophobicContact CB-CB 4.36Å; P1991-K2013 HydrophobicContact CB-CD 4.22Å; P1991-K2013 HydrophobicContact CB-CG 4.18Å; P1991-K2013 HydrophobicContact CG-CD 4.09Å; P1991-E2015 HydrophobicContact CB-CB 4.4Å; P1991-E2015 VanDerWaalsContact CB-CD 3.5Å; P1991-E2015 HydrophobicContact CB-CG 3.77Å; P1991-E2015 VanDerWaalsContact CG-CD 3.43Å; P1991-E2015 HydrophobicContact CG-CG 4.33Å; P1991-E2015 WeakPolarHBondContact CG-OE1 3.27Å; P1991-E2015 WeakPolarHBondContact CG-OE2 3.27Å
1992	Y	90.1	Very high	88.7	Confident	8.2 Å²	8.2	49.6 Å²	49.6	3%	0.032	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	112.9	167.4	-70	-84.9	0	0	0	108.7	V1971 E1972 L1975 V1985 P1986 R1988 V2012 K2013 F2014 E2015	V1971-Y1992 HydrophobicContact CB-CE1 4.16Å; V1971-Y1992 HydrophobicContact CG1-CD1 4.47Å; V1971-Y1992 HydrophobicContact CG1-CE1 3.95Å; E1972-Y1992 HydrophobicContact CG-CD1 4.23Å; E1972-Y1992 HydrophobicContact CG-CE1 4.35Å; L1975-Y1992 HydrophobicContact CD1-CD1 3.51Å; L1975-Y1992 VanDerWaalsContact CD1-CD1 3.49Å; L1975-Y1992 HydrophobicContact CD1-CE1 4.06Å; L1975-Y1992 HydrophobicContact CD1-CG 4.04Å; V1985-Y1992 HydrophobicContact CG1-CD2 4.07Å; V1985-Y1992 HydrophobicContact CG1-CE1 4.24Å; V1985-Y1992 HydrophobicContact CG1-CE2 3.56Å; V1985-Y1992 VanDerWaalsContact CG1-CE2 3.49Å; V1985-Y1992 HydrophobicContact CG1-CG 4.48Å; P1986-Y1992 WeakPolarHBondContact O-CE2 3.33Å; P1986-Y1992 PolarHBondContact O-OH 3.06Å; R1988-Y1992 HydrophobicContact CG-CD2 4.37Å; R1988-Y1992 HydrophobicContact CG-CE2 3.83Å; R1988-Y1992 VanDerWaalsContact CZ-CD1 3.44Å; R1988-Y1992 VanDerWaalsContact CZ-CE1 3.44Å; R1988-Y1992 VanDerWaalsContact NE-CZ 3.35Å; R1988-Y1992 VanDerWaalsContact NH2-CD1 3.35Å; Y1992-V2012 HydrophobicContact CD2-CG1 3.81Å; Y1992-V2012 HydrophobicContact CE2-CG1 3.97Å; Y1992-V2012 HydrophobicContact CE2-CG2 4.44Å; Y1992-K2013 PolarHBondContact N-O 3Å; Y1992-F2014 HydrophobicContact CD2-CE1 4.39Å; Y1992-F2014 HydrophobicContact CG-CD1 4.37Å; Y1992-F2014 HydrophobicContact CG-CE1 4.24Å; Y1992-F2014 WeakPolarHBondContact O-CA 3.29Å; Y1992-E2015 PolarHBondContact O-N 2.98Å
1993	K	87	Confident	88.5	Confident	87 Å²	87	46.4 Å²	46.4	38%	0.378	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.7	177.7	-67.5	-170.2	176.2	-171.3	0	109.3	P1991 M1995 E2015 I2043	P1991-K1993 PolarHBondContact O-N 2.93Å; K1993-M1995 HydrophobicContact CB-CE 3.58Å; K1993-M1995 HydrophobicContact CD-CE 4.23Å; K1993-M1995 HydrophobicContact CG-CE 4.41Å; K1993-E2015 CarbonylContact C-O 3.52Å; K1993-E2015 WeakPolarHBondContact CA-O 3.37Å; K1993-E2015 WeakPolarHBondContact CE-OE2 3.48Å; K1993-E2015 HydrophobicContact CG-CB 4.45Å; K1993-I2043 HydrophobicContact CB-CD1 4.47Å
1994	I	88.8	Confident	88.5	Confident	0.8 Å²	0.8	46 Å²	46	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.8	-178.1	-54.2	-60.3	0	0	0	108.3	L1975 S1996 I1998 F2014 E2015 F2016 A2017 I2020	L1975-I1994 HydrophobicContact CB-CD1 3.89Å; L1975-I1994 HydrophobicContact CD1-CD1 4.19Å; L1975-I1994 HydrophobicContact CG-CD1 4.46Å; I1994-S1996 WeakPolarHBondContact CG2-O 3.15Å; I1994-I1998 HydrophobicContact CB-CD1 4.48Å; I1994-I1998 HydrophobicContact CD1-CD1 3.72Å; I1994-I1998 VanDerWaalsContact CD1-CD1 3.46Å; I1994-I1998 HydrophobicContact CG1-CD1 3.96Å; I1994-I1998 HydrophobicContact CG2-CD1 3.76Å; I1994-I1998 HydrophobicContact CG2-CG1 3.88Å; I1994-F2014 HydrophobicContact CD1-CB 4.03Å; I1994-F2014 HydrophobicContact CD1-CD1 3.73Å; I1994-F2014 HydrophobicContact CD1-CE1 4.16Å; I1994-F2014 HydrophobicContact CD1-CG 3.95Å; I1994-F2014 HydrophobicContact CG1-CD1 3.9Å; I1994-F2014 HydrophobicContact CG1-CE1 4.46Å; I1994-E2015 PolarHBondContact N-O 3.14Å; I1994-F2016 HydrophobicContact CB-CD1 3.69Å; I1994-F2016 HydrophobicContact CB-CE1 4Å; I1994-F2016 HydrophobicContact CB-CG 4.23Å; I1994-F2016 HydrophobicContact CD1-CD1 3.79Å; I1994-F2016 HydrophobicContact CD1-CD2 4.29Å; I1994-F2016 HydrophobicContact CD1-CE1 3.28Å; I1994-F2016 HydrophobicContact CD1-CE2 3.79Å; I1994-F2016 HydrophobicContact CD1-CG 4.27Å; I1994-F2016 HydrophobicContact CD1-CZ 3.27Å; I1994-F2016 HydrophobicContact CG1-CD1 4.16Å; I1994-F2016 HydrophobicContact CG1-CE1 4.04Å; I1994-F2016 HydrophobicContact CG1-CE2 4.45Å; I1994-F2016 HydrophobicContact CG1-CG 4.4Å; I1994-F2016 HydrophobicContact CG1-CZ 4.28Å; I1994-F2016 HydrophobicContact CG2-CD1 3.64Å; I1994-F2016 HydrophobicContact CG2-CE1 3.79Å; I1994-F2016 HydrophobicContact CG2-CG 4.49Å; I1994-A2017 WeakPolarHBondContact O-CB 3.2Å; I1994-A2017 PolarHBondContact O-N 3.04Å; I1994-I2020 HydrophobicContact CG2-CG2 4.05Å
1995	M	82	Confident	88.6	Confident	91.6 Å²	91.6	42.4 Å²	42.4	45%	0.451	23%	0.228	S	C	.	.			trans	-107.3	-6.6	-174.1	-60.3	-63.3	-71.7	0	0	113.1	F1856 N1976 K1993 A2017 I2020 I2043	F1856-M1995 HydrophobicContact CE1-CE 3.6Å; F1856-M1995 HydrophobicContact CE1-SD 4.42Å; F1856-M1995 HydrophobicContact CE2-CE 4.45Å; F1856-M1995 HydrophobicContact CZ-CE 3.77Å; F1856-M1995 HydrophobicContact CZ-SD 4.2Å; N1976-M1995 PolarHBondContact OD1-N 3.09Å; K1993-M1995 HydrophobicContact CB-CE 3.58Å; K1993-M1995 HydrophobicContact CD-CE 4.23Å; K1993-M1995 HydrophobicContact CG-CE 4.41Å; M1995-A2017 HydrophobicContact CE-CB 4.28Å; M1995-A2017 HydrophobicContact SD-CB 4.17Å; M1995-I2020 VanDerWaalsContact O-CD1 3.25Å; M1995-I2020 WeakPolarHBondContact O-CD1 3.37Å; M1995-I2043 HydrophobicContact CE-CD1 3.3Å; M1995-I2043 HydrophobicContact SD-CD1 3.87Å
1996	S	85.4	Confident	88.7	Confident	14.2 Å²	14.2	42.5 Å²	42.5	10%	0.099	23%	0.229	C	C	.	.	S	Bend	trans	-145.8	161.3	177.4	62.3	0	0	0	0	110.5	N1932 N1976 G1977 I1994 I1998 I2020	N1932-S1996 WeakPolarHBondContact O-CB 3.22Å; N1932-S1996 PolarHBondContact O-OG 3.09Å; N1976-S1996 VanDerWaalsContact CA-OG 3.28Å; N1976-S1996 WeakPolarHBondContact CA-OG 3.3Å; N1976-S1996 VanDerWaalsContact CB-OG 3.32Å; N1976-S1996 WeakPolarHBondContact CB-OG 3.41Å; N1976-S1996 PolarHBondContact O-OG 2.82Å; N1976-S1996 PolarHBondContact OD1-N 3.25Å; N1976-S1996 PolarHBondContact OD1-OG 3.33Å; G1977-S1996 PolarHBondContact N-OG 3.12Å; I1994-S1996 WeakPolarHBondContact CG2-O 3.15Å; S1996-I1998 PolarHBondContact O-N 3.09Å; S1996-I2020 VanDerWaalsContact O-CG2 3.27Å; S1996-I2020 WeakPolarHBondContact O-CG2 3.25Å
1997	D	89.3	Confident	88.9	Confident	1.8 Å²	1.8	44.1 Å²	44.1	1%	0.01	23%	0.232	C	C	.	.			trans	-58.1	140.3	179.3	-81	-1.5	0	0	0	111.5	Q1933 W1934 N1935 G1977 I2020 G2021 H2276	Q1933-D1997 WeakPolarHBondContact O-CB 3.42Å; Q1933-D1997 PolarHBondContact O-N 3.01Å; W1934-D1997 VanDerWaalsContact CA-OD2 3.29Å; W1934-D1997 WeakPolarHBondContact CA-OD2 3.34Å; N1935-D1997 HydrophobicContact CB-CB 4.29Å; N1935-D1997 VanDerWaalsContact CG-OD2 3.27Å; N1935-D1997 PolarHBondContact N-OD2 3.14Å; N1935-D1997 PolarHBondContact ND2-OD2 2.99Å; N1935-D1997 VanDerWaalsContact ND2-OD2 3.14Å; N1935-D1997 PolarHBondContact OD1-OD2 3.06Å; G1977-D1997 WeakPolarHBondContact CA-O 3.27Å; G1977-D1997 PolarHBondContact N-O 2.96Å; D1997-I2020 VanDerWaalsContact OD1-CA 3.27Å; D1997-I2020 WeakPolarHBondContact OD1-CA 3.33Å; D1997-I2020 WeakPolarHBondContact OD1-CG2 3.22Å; D1997-G2021 WeakPolarHBondContact CA-O 3.2Å; D1997-G2021 PolarHBondContact OD1-N 2.97Å; D1997-H2276 IonicContact OD1-NE2 3.12Å; D1997-H2276 PolarHBondContact OD1-NE2 2.96Å; D1997-H2276 IonicContact OD2-CE1 3.45Å; D1997-H2276 PolarHBondContact OD2-CE1 3.32Å; D1997-H2276 IonicContact OD2-NE2 2.91Å; D1997-H2276 PolarHBondContact OD2-NE2 3.19Å
1998	I	92.4	Very high	89.2	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.4	172	-61.4	173.4	0	0	0	107.9	L1975 G1977 I1979 I1994 S1996 F2016 G2021 L2022 L2023	L1975-I1998 HydrophobicContact CB-CD1 4.18Å; L1975-I1998 HydrophobicContact CD2-CD1 4.06Å; L1975-I1998 WeakPolarHBondContact O-CD1 3.01Å; L1975-I1998 WeakPolarHBondContact O-CG1 3.16Å; G1977-I1998 CarbonylContact O-C 3.52Å; G1977-I1998 WeakPolarHBondContact O-CA 3.41Å; I1979-I1998 HydrophobicContact CD1-CG2 3.5Å; I1979-I1998 VanDerWaalsContact CD1-CG2 3.47Å; I1979-I1998 HydrophobicContact CG1-CG2 4.13Å; I1994-I1998 HydrophobicContact CB-CD1 4.48Å; I1994-I1998 HydrophobicContact CD1-CD1 3.72Å; I1994-I1998 VanDerWaalsContact CD1-CD1 3.46Å; I1994-I1998 HydrophobicContact CG1-CD1 3.96Å; I1994-I1998 HydrophobicContact CG2-CD1 3.76Å; I1994-I1998 HydrophobicContact CG2-CG1 3.88Å; S1996-I1998 PolarHBondContact O-N 3.09Å; I1998-F2016 HydrophobicContact CD1-CE1 4.25Å; I1998-F2016 HydrophobicContact CD1-CZ 4.44Å; I1998-G2021 PolarHBondContact N-O 3.06Å; I1998-G2021 VanDerWaalsContact N-O 3.1Å; I1998-L2022 HydrophobicContact CB-CD1 3.68Å; I1998-L2022 HydrophobicContact CG2-CD1 3.51Å; I1998-L2022 VanDerWaalsContact CG2-CD1 3.45Å; I1998-L2022 CarbonylContact O-C 3.29Å; I1998-L2022 WeakPolarHBondContact O-CA 3.43Å; I1998-L2023 PolarHBondContact O-N 3.21Å
1999	T	91.7	Very high	89.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111.7	172.9	-56.7	0	0	0	0	110.4	F1931 N1935 G1977 R1978 I1979 M2001 L2023 L2025	F1931-T1999 HydrophobicContact CE1-CG2 3.99Å; F1931-T1999 HydrophobicContact CZ-CG2 3.94Å; N1935-T1999 WeakPolarHBondContact CB-OG1 3.17Å; G1977-T1999 PolarHBondContact O-N 2.88Å; R1978-T1999 WeakPolarHBondContact CA-O 3.19Å; I1979-T1999 PolarHBondContact N-O 3.18Å; T1999-M2001 HydrophobicContact CG2-SD 4.12Å; T1999-M2001 PolarHBondContact O-N 3.03Å; T1999-L2023 CarbonylContact C-O 3.5Å; T1999-L2023 VanDerWaalsContact CA-O 3.28Å; T1999-L2023 WeakPolarHBondContact CA-O 3.41Å; T1999-L2023 HydrophobicContact CG2-CB 4.44Å; T1999-L2023 HydrophobicContact CG2-CD2 4.04Å; T1999-L2023 HydrophobicContact CG2-CG 4.28Å; T1999-L2025 HydrophobicContact CG2-CD1 4.11Å; T1999-L2025 HydrophobicContact CG2-CG 4.36Å
2000	V	92.4	Very high	90	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	112.6	170	-173.3	0	0	0	0	108.2	I1979 V2004 L2006 L2022 L2023 V2024 L2025 G2026	I1979-V2000 HydrophobicContact CD1-CG2 4.28Å; V2000-V2004 HydrophobicContact CG1-CB 4.07Å; V2000-V2004 HydrophobicContact CG1-CG1 4.1Å; V2000-V2004 WeakPolarHBondContact CG1-O 3.21Å; V2000-L2006 HydrophobicContact CG1-CB 4.33Å; V2000-L2006 HydrophobicContact CG2-CB 3.83Å; V2000-L2006 HydrophobicContact CG2-CD2 3.77Å; V2000-L2006 HydrophobicContact CG2-CG 4.42Å; V2000-L2022 HydrophobicContact CG2-CD1 4.43Å; V2000-L2023 PolarHBondContact N-O 3.24Å; V2000-V2024 HydrophobicContact CB-CB 4.46Å; V2000-V2024 HydrophobicContact CB-CG1 4.16Å; V2000-V2024 HydrophobicContact CG1-CG1 4.49Å; V2000-V2024 HydrophobicContact CG2-CG1 4.42Å; V2000-V2024 HydrophobicContact CG2-CG2 4.13Å; V2000-L2025 WeakPolarHBondContact O-CA 3.32Å; V2000-L2025 WeakPolarHBondContact O-CB 3.26Å; V2000-L2025 PolarHBondContact O-N 2.99Å; V2000-G2026 PolarHBondContact O-N 3.15Å; V2000-G2026 VanDerWaalsContact O-N 3.15Å
2001	M	90.2	Very high	90.4	Very high	19.8 Å²	19.8	28.7 Å²	28.7	10%	0.098	17%	0.166	C	C	.	.			trans	-68.9	158.3	-175.7	-69	-61	-68	0	0	112.4	P1906 R1978 I1979 E1980 T1999 G2003 V2004 G2026	P1906-M2001 VanDerWaalsContact CD-CE 3.49Å; P1906-M2001 HydrophobicContact CG-CE 4.43Å; R1978-M2001 HydrophobicContact CB-CG 4.33Å; R1978-M2001 HydrophobicContact CB-SD 4.47Å; R1978-M2001 HydrophobicContact CG-SD 4.29Å; I1979-M2001 WeakPolarHBondContact O-CB 3.37Å; I1979-M2001 WeakPolarHBondContact O-CG 3.37Å; I1979-M2001 PolarHBondContact O-N 3.15Å; I1979-M2001 VanDerWaalsContact O-N 3.13Å; E1980-M2001 HydrophobicContact CG-CG 4.31Å; T1999-M2001 HydrophobicContact CG2-SD 4.12Å; T1999-M2001 PolarHBondContact O-N 3.03Å; M2001-G2003 PolarHBondContact O-N 2.84Å; M2001-V2004 HydrophobicContact CB-CG2 4.1Å; M2001-V2004 WeakPolarHBondContact O-CB 3.26Å; M2001-V2004 PolarHBondContact O-N 3.15Å; M2001-V2004 VanDerWaalsContact O-N 3.15Å; M2001-G2026 VanDerWaalsContact O-CA 3.26Å; M2001-G2026 WeakPolarHBondContact O-CA 3.3Å; M2001-G2026 PolarHBondContact O-N 2.72Å
2002	P	86.8	Confident	90.7	Very high	40.6 Å²	40.6	27.3 Å²	27.3	26%	0.264	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	136	176.5	-23	32.8	0	0	0	112.1	V2004 L2025 P2241 Y2246	P2002-V2004 VanDerWaalsContact C-N 3.27Å; P2002-V2004 PolarHBondContact O-N 3.09Å; P2002-L2025 HydrophobicContact CG-CB 3.95Å; P2002-L2025 HydrophobicContact CG-CD1 4.4Å; P2002-P2241 HydrophobicContact CB-CG 4.35Å; P2002-P2241 HydrophobicContact CG-CG 4.29Å; P2002-Y2246 HydrophobicContact CG-CD1 3.91Å; P2002-Y2246 HydrophobicContact CG-CE1 4.09Å
2003	G	84.8	Confident	90.9	Very high	46.4 Å²	46.4	30.4 Å²	30.4	48%	0.478	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-3.2	-179.5	0	0	0	0	0	115.4	M2001	M2001-G2003 PolarHBondContact O-N 2.84Å
2004	V	90.1	Very high	91.2	Very high	11 Å²	11	26.5 Å²	26.5	7%	0.067	15%	0.153	C	C	.	.			trans	-98.3	144	178.2	-179.8	0	0	0	0	110.9	I1979 E1980 S1981 V2000 M2001 P2002 G2026 R2027	I1979-V2004 HydrophobicContact CG2-CG1 3.97Å; E1980-V2004 VanDerWaalsContact C-CG2 3.47Å; E1980-V2004 VanDerWaalsContact O-CG2 3.3Å; E1980-V2004 WeakPolarHBondContact O-CG2 3.43Å; S1981-V2004 VanDerWaalsContact O-CG1 3.29Å; S1981-V2004 WeakPolarHBondContact O-CG1 3.37Å; V2000-V2004 HydrophobicContact CG1-CB 4.07Å; V2000-V2004 HydrophobicContact CG1-CG1 4.1Å; V2000-V2004 WeakPolarHBondContact CG1-O 3.21Å; M2001-V2004 HydrophobicContact CB-CG2 4.1Å; M2001-V2004 WeakPolarHBondContact O-CB 3.26Å; M2001-V2004 PolarHBondContact O-N 3.15Å; M2001-V2004 VanDerWaalsContact O-N 3.15Å; P2002-V2004 VanDerWaalsContact C-N 3.27Å; P2002-V2004 PolarHBondContact O-N 3.09Å; V2004-G2026 CarbonylContact O-C 3.58Å; V2004-G2026 WeakPolarHBondContact O-CA 3.33Å; V2004-R2027 PolarHBondContact O-N 3.1Å
2005	E	91.9	Very high	91.4	Very high	29.8 Å²	29.8	27.2 Å²	27.2	14%	0.139	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.9	176.3	-169.3	172.3	141.2	0	0	112.6	D1982 L1983 Q2007 R2027	D1982-E2005 CarbonylContact C-O 3.5Å; D1982-E2005 VanDerWaalsContact CA-O 3.28Å; D1982-E2005 WeakPolarHBondContact CA-O 3.25Å; D1982-E2005 PolarHBondContact OD1-N 3.08Å; L1983-E2005 PolarHBondContact N-O 3.18Å; E2005-Q2007 HydrophobicContact CG-CG 4.05Å; E2005-Q2007 VanDerWaalsContact OE1-CG 3.28Å; E2005-Q2007 WeakPolarHBondContact OE1-CG 3.32Å; E2005-Q2007 PolarHBondContact OE1-NE2 3.03Å; E2005-R2027 WeakPolarHBondContact CA-O 3.39Å; E2005-R2027 HydrophobicContact CB-CB 4.47Å; E2005-R2027 HydrophobicContact CG-CB 4.25Å; E2005-R2027 HydrophobicContact CG-CG 4.29Å; E2005-R2027 IonicContact OE1-CZ 3.17Å; E2005-R2027 IonicContact OE1-NH1 2.99Å; E2005-R2027 PolarHBondContact OE1-NH1 3.1Å; E2005-R2027 WeakPolarHBondContact OE2-CD 3.43Å; E2005-R2027 IonicContact OE2-CZ 3.05Å; E2005-R2027 IonicContact OE2-NE 2.74Å; E2005-R2027 IonicContact OE2-NH1 3.35Å; E2005-R2027 PolarHBondContact OE2-NH1 3.04Å
2006	L	94.1	Very high	91.8	Very high	2.4 Å²	2.4	22.9 Å²	22.9	1%	0.013	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.8	170	178	62.7	0	0	0	109.8	I1979 L1983 V1985 V2000 I2008 L2022 R2027 I2028 E2029	I1979-L2006 HydrophobicContact CD1-CD1 4.2Å; I1979-L2006 HydrophobicContact CD1-CD2 4.33Å; L1983-L2006 HydrophobicContact CB-CD1 4.05Å; L1983-L2006 HydrophobicContact CD2-CD1 3.95Å; L1983-L2006 HydrophobicContact CG-CD1 4.18Å; V1985-L2006 HydrophobicContact CG2-CD1 3.86Å; V2000-L2006 HydrophobicContact CG1-CB 4.33Å; V2000-L2006 HydrophobicContact CG2-CB 3.83Å; V2000-L2006 HydrophobicContact CG2-CD2 3.77Å; V2000-L2006 HydrophobicContact CG2-CG 4.42Å; L2006-I2008 HydrophobicContact CD1-CG1 4.42Å; L2006-I2008 HydrophobicContact CD2-CD1 4.22Å; L2006-I2008 HydrophobicContact CG-CD1 4.33Å; L2006-I2008 HydrophobicContact CG-CG1 4.16Å; L2006-L2022 HydrophobicContact CD2-CD1 4.39Å; L2006-R2027 PolarHBondContact N-O 3.01Å; L2006-I2028 HydrophobicContact CB-CG1 4.49Å; L2006-I2028 HydrophobicContact CD2-CD1 4.21Å; L2006-I2028 HydrophobicContact CD2-CG1 4.44Å; L2006-I2028 WeakPolarHBondContact O-CA 3.3Å; L2006-E2029 PolarHBondContact O-N 2.85Å
2007	Q	94.4	Very high	91.8	Very high	78.4 Å²	78.4	22.4 Å²	22.4	37%	0.366	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.4	176.3	-65.6	-176.9	-8.2	0	0	110.3	L1983 F1984 V1985 E2005 E2029	L1983-Q2007 PolarHBondContact O-N 3.02Å; F1984-Q2007 WeakPolarHBondContact CA-O 3.32Å; F1984-Q2007 HydrophobicContact CD2-CB 3.9Å; V1985-Q2007 PolarHBondContact N-O 3.24Å; E2005-Q2007 HydrophobicContact CG-CG 4.05Å; E2005-Q2007 VanDerWaalsContact OE1-CG 3.28Å; E2005-Q2007 WeakPolarHBondContact OE1-CG 3.32Å; E2005-Q2007 PolarHBondContact OE1-NE2 3.03Å; Q2007-E2029 WeakPolarHBondContact CA-O 3.33Å; Q2007-E2029 HydrophobicContact CG-CB 4.41Å
2008	I	94.8	Very high	91.5	Very high	7.8 Å²	7.8	23 Å²	23	4%	0.04	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.6	-178.4	-57.4	166.9	0	0	0	109	L2006 V2012 F2014 I2028 E2029 A2030 I2038 F2040	L2006-I2008 HydrophobicContact CD1-CG1 4.42Å; L2006-I2008 HydrophobicContact CD2-CD1 4.22Å; L2006-I2008 HydrophobicContact CG-CD1 4.33Å; L2006-I2008 HydrophobicContact CG-CG1 4.16Å; I2008-V2012 HydrophobicContact CG2-CB 3.66Å; I2008-V2012 HydrophobicContact CG2-CG1 3.83Å; I2008-V2012 HydrophobicContact CG2-CG2 3.99Å; I2008-F2014 HydrophobicContact CD1-CE2 3.82Å; I2008-F2014 HydrophobicContact CD1-CZ 4.35Å; I2008-F2014 HydrophobicContact CG1-CE2 4.22Å; I2008-F2014 HydrophobicContact CG1-CZ 4.45Å; I2008-F2014 HydrophobicContact CG2-CE2 3.98Å; I2008-F2014 HydrophobicContact CG2-CZ 4.4Å; I2008-I2028 HydrophobicContact CD1-CD1 3.99Å; I2008-I2028 HydrophobicContact CD1-CG1 4.32Å; I2008-E2029 PolarHBondContact N-O 3.02Å; I2008-A2030 HydrophobicContact CB-CB 4.26Å; I2008-A2030 HydrophobicContact CD1-CB 4.19Å; I2008-I2038 HydrophobicContact CB-CD1 4.13Å; I2008-I2038 HydrophobicContact CG2-CD1 3.74Å; I2008-I2038 HydrophobicContact CG2-CG1 4.18Å; I2008-I2038 HydrophobicContact CG2-CG2 3.94Å; I2008-F2040 HydrophobicContact CD1-CE1 4.37Å; I2008-F2040 HydrophobicContact CD1-CZ 3.96Å
2009	E	94	Very high	91	Very high	82.4 Å²	82.4	24.2 Å²	24.2	39%	0.385	14%	0.142	S	C	.	.			trans	-70.6	153.9	177.8	-167.1	173.9	-162.1	0	0	112.2	F1984 V1985 P1986 S1987 V2012	F1984-E2009 HydrophobicContact CE2-CB 4.38Å; F1984-E2009 HydrophobicContact CZ-CB 4.03Å; F1984-E2009 HydrophobicContact CZ-CG 4.34Å; V1985-E2009 WeakPolarHBondContact O-CB 3.37Å; V1985-E2009 PolarHBondContact O-N 2.97Å; V1985-E2009 VanDerWaalsContact O-N 3.11Å; P1986-E2009 VanDerWaalsContact CA-OE2 3.28Å; P1986-E2009 WeakPolarHBondContact CA-OE2 3.23Å; S1987-E2009 WeakPolarHBondContact CB-OE2 3.34Å; S1987-E2009 PolarHBondContact N-OE2 3.04Å; E2009-V2012 HydrophobicContact CB-CG2 4.24Å; E2009-V2012 WeakPolarHBondContact O-CB 3.23Å; E2009-V2012 WeakPolarHBondContact O-CG2 3.28Å; E2009-V2012 PolarHBondContact O-N 2.95Å
2010	A	95.2	Very high	90.9	Very high	25 Å²	25	24.6 Å²	24.6	21%	0.207	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	141	176.4	0	0	0	0	0	112.3	S1987 V2012 T2033 N2036	S1987-A2010 VanDerWaalsContact CB-O 3.27Å; S1987-A2010 WeakPolarHBondContact CB-O 3.35Å; S1987-A2010 PolarHBondContact OG-O 2.92Å; A2010-V2012 VanDerWaalsContact C-N 3.3Å; A2010-V2012 PolarHBondContact O-N 2.97Å; A2010-T2033 HydrophobicContact CB-CG2 4.27Å; A2010-N2036 HydrophobicContact CB-CB 4.44Å
2011	G	93.6	Very high	90.9	Very high	23.2 Å²	23.2	24.6 Å²	24.6	24%	0.239	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	0.8	-178.2	0	0	0	0	0	115.4	K2013 N2036 P2037	G2011-K2013 PolarHBondContact O-N 3.14Å; G2011-N2036 PolarHBondContact N-O 3.09Å; G2011-N2036 VanDerWaalsContact N-O 3.13Å; G2011-P2037 WeakPolarHBondContact CA-O 3.31Å
2012	V	95.1	Very high	91.1	Very high	0.6 Å²	0.6	23.8 Å²	23.8	0%	0.004	14%	0.14	C	C	.	.			trans	-64.7	132.9	172.7	171.3	0	0	0	0	110.5	V1985 Y1992 I2008 E2009 A2010 F2014 I2038 I2039	V1985-V2012 HydrophobicContact CG1-CG1 4.03Å; V1985-V2012 HydrophobicContact CG1-CG2 4.29Å; Y1992-V2012 HydrophobicContact CD2-CG1 3.81Å; Y1992-V2012 HydrophobicContact CE2-CG1 3.97Å; Y1992-V2012 HydrophobicContact CE2-CG2 4.44Å; I2008-V2012 HydrophobicContact CG2-CB 3.66Å; I2008-V2012 HydrophobicContact CG2-CG1 3.83Å; I2008-V2012 HydrophobicContact CG2-CG2 3.99Å; E2009-V2012 HydrophobicContact CB-CG2 4.24Å; E2009-V2012 WeakPolarHBondContact O-CB 3.23Å; E2009-V2012 WeakPolarHBondContact O-CG2 3.28Å; E2009-V2012 PolarHBondContact O-N 2.95Å; A2010-V2012 VanDerWaalsContact C-N 3.3Å; A2010-V2012 PolarHBondContact O-N 2.97Å; V2012-F2014 HydrophobicContact CG1-CD2 3.94Å; V2012-F2014 HydrophobicContact CG1-CE1 4.43Å; V2012-F2014 HydrophobicContact CG1-CE2 3.55Å; V2012-F2014 VanDerWaalsContact CG1-CE2 3.48Å; V2012-F2014 HydrophobicContact CG1-CZ 3.95Å; V2012-I2038 WeakPolarHBondContact O-CA 3.31Å; V2012-I2038 WeakPolarHBondContact O-CG2 2.99Å; V2012-I2039 PolarHBondContact O-N 3Å
2013	K	94.4	Very high	91.4	Very high	72.8 Å²	72.8	21.9 Å²	21.9	32%	0.317	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.3	173.7	-175.8	178.4	-175.4	-148.6	0	110.7	P1991 Y1992 G2011 E2015 I2039 T2041	P1991-K2013 CarbonylContact C-O 3.39Å; P1991-K2013 WeakPolarHBondContact CA-O 3.19Å; P1991-K2013 HydrophobicContact CB-CB 4.36Å; P1991-K2013 HydrophobicContact CB-CD 4.22Å; P1991-K2013 HydrophobicContact CB-CG 4.18Å; P1991-K2013 HydrophobicContact CG-CD 4.09Å; Y1992-K2013 PolarHBondContact N-O 3Å; G2011-K2013 PolarHBondContact O-N 3.14Å; K2013-E2015 WeakPolarHBondContact CE-OE1 3.3Å; K2013-E2015 IonicContact NZ-OE1 3.26Å; K2013-E2015 PolarHBondContact NZ-OE1 2.97Å; K2013-I2039 CarbonylContact C-O 3.48Å; K2013-I2039 WeakPolarHBondContact CA-O 3.39Å; K2013-I2039 HydrophobicContact CB-CB 4.4Å; K2013-I2039 HydrophobicContact CG-CB 4.07Å; K2013-I2039 HydrophobicContact CG-CG2 4.2Å; K2013-T2041 VanDerWaalsContact CE-CG2 3.49Å
2014	F	94.4	Very high	91.9	Very high	4.2 Å²	4.2	19.7 Å²	19.7	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.2	170	-70.5	-76.6	0	0	0	110.7	L1975 V1985 Y1992 I1994 I2008 V2012 F2016 I2039 F2040 T2041	L1975-F2014 HydrophobicContact CD1-CE1 3.93Å; L1975-F2014 HydrophobicContact CD2-CE1 4.25Å; V1985-F2014 HydrophobicContact CG1-CE1 4.42Å; V1985-F2014 HydrophobicContact CG1-CZ 3.97Å; V1985-F2014 HydrophobicContact CG2-CZ 4.38Å; Y1992-F2014 HydrophobicContact CD2-CE1 4.39Å; Y1992-F2014 HydrophobicContact CG-CD1 4.37Å; Y1992-F2014 HydrophobicContact CG-CE1 4.24Å; Y1992-F2014 WeakPolarHBondContact O-CA 3.29Å; I1994-F2014 HydrophobicContact CD1-CB 4.03Å; I1994-F2014 HydrophobicContact CD1-CD1 3.73Å; I1994-F2014 HydrophobicContact CD1-CE1 4.16Å; I1994-F2014 HydrophobicContact CD1-CG 3.95Å; I1994-F2014 HydrophobicContact CG1-CD1 3.9Å; I1994-F2014 HydrophobicContact CG1-CE1 4.46Å; I2008-F2014 HydrophobicContact CD1-CE2 3.82Å; I2008-F2014 HydrophobicContact CD1-CZ 4.35Å; I2008-F2014 HydrophobicContact CG1-CE2 4.22Å; I2008-F2014 HydrophobicContact CG1-CZ 4.45Å; I2008-F2014 HydrophobicContact CG2-CE2 3.98Å; I2008-F2014 HydrophobicContact CG2-CZ 4.4Å; V2012-F2014 HydrophobicContact CG1-CD2 3.94Å; V2012-F2014 HydrophobicContact CG1-CE1 4.43Å; V2012-F2014 HydrophobicContact CG1-CE2 3.55Å; V2012-F2014 VanDerWaalsContact CG1-CE2 3.48Å; V2012-F2014 HydrophobicContact CG1-CZ 3.95Å; F2014-F2016 HydrophobicContact CB-CD2 4.22Å; F2014-F2016 HydrophobicContact CB-CE2 3.53Å; F2014-F2016 VanDerWaalsContact CB-CE2 3.46Å; F2014-F2016 HydrophobicContact CB-CZ 4.13Å; F2014-F2016 HydrophobicContact CG-CE2 4.29Å; F2014-F2016 HydrophobicContact CG-CZ 4.4Å; F2014-I2039 PolarHBondContact N-O 2.92Å; F2014-F2040 HydrophobicContact CB-CD1 4.12Å; F2014-F2040 AromaticContact CD2-CD1 3.85Å; F2014-F2040 HydrophobicContact CD2-CD1 3.85Å; F2014-F2040 AromaticContact CD2-CE1 3.51Å; F2014-F2040 HydrophobicContact CD2-CE1 3.51Å; F2014-F2040 VanDerWaalsContact CD2-CE1 3.48Å; F2014-F2040 AromaticContact CD2-CZ 3.97Å; F2014-F2040 HydrophobicContact CD2-CZ 4.13Å; F2014-F2040 AromaticContact CE2-CE1 3.88Å; F2014-F2040 HydrophobicContact CE2-CE1 3.99Å; F2014-F2040 HydrophobicContact CE2-CZ 4.35Å; F2014-F2040 HydrophobicContact CG-CD1 4.3Å; F2014-F2040 HydrophobicContact CG-CE1 4.29Å; F2014-T2041 WeakPolarHBondContact O-CG2 3.43Å; F2014-T2041 PolarHBondContact O-N 3Å
2015	E	91.7	Very high	91.9	Very high	16.4 Å²	16.4	19.4 Å²	19.4	8%	0.077	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	105.4	172.8	-71.3	-178	175.5	0	0	109	P1991 Y1992 K1993 I1994 K2013 T2041 I2043	P1991-E2015 HydrophobicContact CB-CB 4.4Å; P1991-E2015 VanDerWaalsContact CB-CD 3.5Å; P1991-E2015 HydrophobicContact CB-CG 3.77Å; P1991-E2015 VanDerWaalsContact CG-CD 3.43Å; P1991-E2015 HydrophobicContact CG-CG 4.33Å; P1991-E2015 WeakPolarHBondContact CG-OE1 3.27Å; P1991-E2015 WeakPolarHBondContact CG-OE2 3.27Å; Y1992-E2015 PolarHBondContact O-N 2.98Å; K1993-E2015 CarbonylContact C-O 3.52Å; K1993-E2015 WeakPolarHBondContact CA-O 3.37Å; K1993-E2015 WeakPolarHBondContact CE-OE2 3.48Å; K1993-E2015 HydrophobicContact CG-CB 4.45Å; I1994-E2015 PolarHBondContact N-O 3.14Å; K2013-E2015 WeakPolarHBondContact CE-OE1 3.3Å; K2013-E2015 IonicContact NZ-OE1 3.26Å; K2013-E2015 PolarHBondContact NZ-OE1 2.97Å; E2015-T2041 CarbonylContact C-O 3.53Å; E2015-T2041 VanDerWaalsContact CA-O 3.29Å; E2015-T2041 WeakPolarHBondContact CA-O 3.36Å; E2015-T2041 HydrophobicContact CG-CG2 4.05Å; E2015-I2043 HydrophobicContact CB-CG1 3.9Å; E2015-I2043 WeakPolarHBondContact O-CG1 3.39Å
2016	F	91.5	Very high	91.8	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	138.8	179.8	-65.9	-95.9	0	0	0	111.2	I1994 I1998 F2014 I2020 L2022 F2040 T2041 S2042 I2043 W2233	I1994-F2016 HydrophobicContact CB-CD1 3.69Å; I1994-F2016 HydrophobicContact CB-CE1 4Å; I1994-F2016 HydrophobicContact CB-CG 4.23Å; I1994-F2016 HydrophobicContact CD1-CD1 3.79Å; I1994-F2016 HydrophobicContact CD1-CD2 4.29Å; I1994-F2016 HydrophobicContact CD1-CE1 3.28Å; I1994-F2016 HydrophobicContact CD1-CE2 3.79Å; I1994-F2016 HydrophobicContact CD1-CG 4.27Å; I1994-F2016 HydrophobicContact CD1-CZ 3.27Å; I1994-F2016 HydrophobicContact CG1-CD1 4.16Å; I1994-F2016 HydrophobicContact CG1-CE1 4.04Å; I1994-F2016 HydrophobicContact CG1-CE2 4.45Å; I1994-F2016 HydrophobicContact CG1-CG 4.4Å; I1994-F2016 HydrophobicContact CG1-CZ 4.28Å; I1994-F2016 HydrophobicContact CG2-CD1 3.64Å; I1994-F2016 HydrophobicContact CG2-CE1 3.79Å; I1994-F2016 HydrophobicContact CG2-CG 4.49Å; I1998-F2016 HydrophobicContact CD1-CE1 4.25Å; I1998-F2016 HydrophobicContact CD1-CZ 4.44Å; F2014-F2016 HydrophobicContact CB-CD2 4.22Å; F2014-F2016 HydrophobicContact CB-CE2 3.53Å; F2014-F2016 VanDerWaalsContact CB-CE2 3.46Å; F2014-F2016 HydrophobicContact CB-CZ 4.13Å; F2014-F2016 HydrophobicContact CG-CE2 4.29Å; F2014-F2016 HydrophobicContact CG-CZ 4.4Å; F2016-I2020 HydrophobicContact CD1-CG2 4.04Å; F2016-L2022 HydrophobicContact CE1-CB 4.42Å; F2016-L2022 HydrophobicContact CZ-CB 4.42Å; F2016-F2040 HydrophobicContact CE2-CB 4.31Å; F2016-F2040 AromaticContact CE2-CD1 3.76Å; F2016-F2040 HydrophobicContact CE2-CD1 3.76Å; F2016-F2040 HydrophobicContact CE2-CG 4.48Å; F2016-F2040 HydrophobicContact CZ-CD1 4.09Å; F2016-T2041 PolarHBondContact N-O 3.36Å; F2016-S2042 CarbonylContact O-C 3.53Å; F2016-S2042 VanDerWaalsContact O-CA 3.31Å; F2016-S2042 WeakPolarHBondContact O-CA 3.28Å; F2016-I2043 WeakPolarHBondContact O-CG1 3.34Å; F2016-I2043 PolarHBondContact O-N 3.02Å; F2016-W2233 HydrophobicContact CB-CB 3.49Å; F2016-W2233 VanDerWaalsContact CB-CB 3.44Å; F2016-W2233 HydrophobicContact CB-CD2 3.98Å; F2016-W2233 HydrophobicContact CB-CE3 4.04Å; F2016-W2233 HydrophobicContact CB-CG 3.78Å; F2016-W2233 AromaticContact CD1-CE3 3.94Å; F2016-W2233 HydrophobicContact CD1-CE3 4.01Å; F2016-W2233 HydrophobicContact CD1-CZ3 4.35Å; F2016-W2233 AromaticContact CD2-CD2 3.82Å; F2016-W2233 HydrophobicContact CD2-CD2 3.82Å; F2016-W2233 AromaticContact CD2-CE2 3.98Å; F2016-W2233 AromaticContact CD2-CE3 3.67Å; F2016-W2233 HydrophobicContact CD2-CE3 3.67Å; F2016-W2233 HydrophobicContact CD2-CG 4.38Å; F2016-W2233 HydrophobicContact CD2-CH2 4.22Å; F2016-W2233 HydrophobicContact CD2-CZ2 4.37Å; F2016-W2233 AromaticContact CD2-CZ3 3.85Å; F2016-W2233 HydrophobicContact CD2-CZ3 3.89Å; F2016-W2233 HydrophobicContact CE1-CE3 4.4Å; F2016-W2233 HydrophobicContact CE1-CZ3 4.27Å; F2016-W2233 HydrophobicContact CE2-CD2 4.3Å; F2016-W2233 AromaticContact CE2-CE3 3.87Å; F2016-W2233 HydrophobicContact CE2-CE3 4.11Å; F2016-W2233 AromaticContact CE2-CH2 3.73Å; F2016-W2233 HydrophobicContact CE2-CH2 4.01Å; F2016-W2233 HydrophobicContact CE2-CZ2 4.18Å; F2016-W2233 AromaticContact CE2-CZ3 3.83Å; F2016-W2233 HydrophobicContact CE2-CZ3 3.83Å; F2016-W2233 HydrophobicContact CG-CB 4.38Å; F2016-W2233 AromaticContact CG-CD2 3.95Å; F2016-W2233 HydrophobicContact CG-CD2 3.95Å; F2016-W2233 AromaticContact CG-CE3 3.64Å; F2016-W2233 HydrophobicContact CG-CE3 3.64Å; F2016-W2233 HydrophobicContact CG-CG 4.29Å; F2016-W2233 HydrophobicContact CG-CZ3 4.17Å; F2016-W2233 HydrophobicContact CZ-CE3 4.43Å; F2016-W2233 HydrophobicContact CZ-CH2 4.41Å; F2016-W2233 AromaticContact CZ-CZ3 3.89Å; F2016-W2233 HydrophobicContact CZ-CZ3 4.03Å
2017	A	85.2	Confident	91.7	Very high	4.6 Å²	4.6	19.8 Å²	19.8	4%	0.038	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-65.6	160.5	165	0	0	0	0	0	111.2	F1856 I1994 M1995 I2020 I2043	F1856-A2017 HydrophobicContact CD1-CB 4.2Å; F1856-A2017 HydrophobicContact CE1-CB 3.36Å; F1856-A2017 VanDerWaalsContact CE1-CB 3.46Å; F1856-A2017 HydrophobicContact CE2-CB 4.01Å; F1856-A2017 HydrophobicContact CZ-CB 3.55Å; I1994-A2017 WeakPolarHBondContact O-CB 3.2Å; I1994-A2017 PolarHBondContact O-N 3.04Å; M1995-A2017 HydrophobicContact CE-CB 4.28Å; M1995-A2017 HydrophobicContact SD-CB 4.17Å; A2017-I2020 HydrophobicContact CB-CD1 3.38Å; A2017-I2020 HydrophobicContact CB-CG1 3.97Å; A2017-I2020 WeakPolarHBondContact O-CB 3.44Å; A2017-I2020 WeakPolarHBondContact O-CG1 3.34Å; A2017-I2020 PolarHBondContact O-N 3.1Å; A2017-I2043 HydrophobicContact CB-CD1 3.82Å
2018	P	82.1	Confident	91.8	Very high	14.2 Å²	14.2	16.1 Å²	16.1	9%	0.092	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	146.9	179	-25.6	36.2	0	0	0	112.4	F1856 I2020 T2230 T2232	F1856-P2018 HydrophobicContact CD2-CB 4.03Å; F1856-P2018 HydrophobicContact CD2-CG 4.21Å; F1856-P2018 HydrophobicContact CE2-CB 3.78Å; F1856-P2018 HydrophobicContact CE2-CG 4.42Å; F1856-P2018 WeakPolarHBondContact CE2-O 3.2Å; F1856-P2018 HydrophobicContact CG-CG 4.45Å; F1856-P2018 WeakPolarHBondContact CZ-O 3.26Å; P2018-I2020 WeakPolarHBondContact O-CG1 3.38Å; P2018-I2020 PolarHBondContact O-N 3.02Å; P2018-I2020 VanDerWaalsContact O-N 3.1Å; P2018-T2230 VanDerWaalsContact CG-O 3.22Å; P2018-T2230 WeakPolarHBondContact CG-O 3.22Å; P2018-T2232 VanDerWaalsContact CA-O 3.29Å; P2018-T2232 WeakPolarHBondContact CA-O 3.21Å
2019	H	83.1	Confident	91.8	Very high	27.8 Å²	27.8	17.7 Å²	17.7	13%	0.129	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	65.7	2.7	179.8	-53.2	-111	0	0	0	117	F1856 W1934 T2232 L2274 H2276 G2277	F1856-H2019 HydrophobicContact CD1-CB 4.35Å; F1856-H2019 AromaticContact CD1-CD2 3.42Å; F1856-H2019 VanDerWaalsContact CD1-CD2 3.42Å; F1856-H2019 WeakPolarHBondContact CD1-CD2 3.48Å; F1856-H2019 AromaticContact CD1-CG 3.84Å; F1856-H2019 AromaticContact CD1-NE2 3.81Å; F1856-H2019 AromaticContact CD2-CD2 3.61Å; F1856-H2019 HydrophobicContact CE1-CB 3.54Å; F1856-H2019 AromaticContact CE1-CD2 3.45Å; F1856-H2019 VanDerWaalsContact CE1-CD2 3.45Å; F1856-H2019 WeakPolarHBondContact CE1-CD2 3.04Å; F1856-H2019 AromaticContact CE1-CG 3.52Å; F1856-H2019 HydrophobicContact CE2-CB 4.38Å; F1856-H2019 AromaticContact CE2-CD2 3.65Å; F1856-H2019 AromaticContact CG-CD2 3.51Å; F1856-H2019 AromaticContact CG-NE2 3.77Å; F1856-H2019 HydrophobicContact CZ-CB 3.58Å; F1856-H2019 AromaticContact CZ-CD2 3.58Å; F1856-H2019 AromaticContact CZ-CG 3.82Å; F1856-H2019 PolarHBondContact O-CE1 2.84Å; W1934-H2019 HydrophobicContact CZ2-CB 4.17Å; H2019-T2232 PolarHBondContact N-O 2.93Å; H2019-L2274 VanDerWaalsContact CA-O 3.29Å; H2019-L2274 WeakPolarHBondContact CA-O 3.39Å; H2019-L2274 VanDerWaalsContact CE1-CD2 3.41Å; H2019-L2274 WeakPolarHBondContact CE1-CD2 3.35Å; H2019-L2274 WeakPolarHBondContact NE2-CD2 3.39Å; H2019-H2276 PolarHBondContact O-CD2 3.17Å; H2019-H2276 PolarHBondContact O-N 2.95Å; H2019-H2276 VanDerWaalsContact O-N 3.15Å; H2019-G2277 PolarHBondContact CD2-N 3.05Å; H2019-G2277 VanDerWaalsContact CD2-N 3.34Å; H2019-G2277 WeakPolarHBondContact ND1-CA 3.4Å; H2019-G2277 PolarHBondContact ND1-N 2.79Å; H2019-G2277 VanDerWaalsContact ND1-N 3.19Å
2020	I	89.3	Confident	91.9	Very high	7.4 Å²	7.4	13.8 Å²	13.8	4%	0.038	8%	0.078	C	C	.	.			trans	-99.3	140	-176.7	-64	175.1	0	0	0	111.2	I1994 M1995 S1996 D1997 F2016 A2017 P2018 G2234	I1994-I2020 HydrophobicContact CG2-CG2 4.05Å; M1995-I2020 VanDerWaalsContact O-CD1 3.25Å; M1995-I2020 WeakPolarHBondContact O-CD1 3.37Å; S1996-I2020 VanDerWaalsContact O-CG2 3.27Å; S1996-I2020 WeakPolarHBondContact O-CG2 3.25Å; D1997-I2020 VanDerWaalsContact OD1-CA 3.27Å; D1997-I2020 WeakPolarHBondContact OD1-CA 3.33Å; D1997-I2020 WeakPolarHBondContact OD1-CG2 3.22Å; F2016-I2020 HydrophobicContact CD1-CG2 4.04Å; A2017-I2020 HydrophobicContact CB-CD1 3.38Å; A2017-I2020 HydrophobicContact CB-CG1 3.97Å; A2017-I2020 WeakPolarHBondContact O-CB 3.44Å; A2017-I2020 WeakPolarHBondContact O-CG1 3.34Å; A2017-I2020 PolarHBondContact O-N 3.1Å; P2018-I2020 WeakPolarHBondContact O-CG1 3.38Å; P2018-I2020 PolarHBondContact O-N 3.02Å; P2018-I2020 VanDerWaalsContact O-N 3.1Å; I2020-G2234 VanDerWaalsContact O-CA 3.27Å; I2020-G2234 WeakPolarHBondContact O-CA 3.36Å; I2020-G2234 PolarHBondContact O-N 3.03Å
2021	G	91.9	Very high	91.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.			trans	-132.6	176	-179.8	0	0	0	0	0	115.1	D1997 I1998 N2235	D1997-G2021 WeakPolarHBondContact CA-O 3.2Å; D1997-G2021 PolarHBondContact OD1-N 2.97Å; I1998-G2021 PolarHBondContact N-O 3.06Å; I1998-G2021 VanDerWaalsContact N-O 3.1Å; G2021-N2235 CarbonylContact C-O 3.54Å; G2021-N2235 VanDerWaalsContact CA-O 3.31Å; G2021-N2235 WeakPolarHBondContact CA-O 3.37Å
2022	L	95	Very high	91.9	Very high	3.6 Å²	3.6	16.6 Å²	16.6	2%	0.019	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116.4	176.2	170.8	61.1	0	0	0	109.3	I1998 V2000 L2006 F2016 V2024 I2028 F2040 N2235 I2236 R2237	I1998-L2022 HydrophobicContact CB-CD1 3.68Å; I1998-L2022 HydrophobicContact CG2-CD1 3.51Å; I1998-L2022 VanDerWaalsContact CG2-CD1 3.45Å; I1998-L2022 CarbonylContact O-C 3.29Å; I1998-L2022 WeakPolarHBondContact O-CA 3.43Å; V2000-L2022 HydrophobicContact CG2-CD1 4.43Å; L2006-L2022 HydrophobicContact CD2-CD1 4.39Å; F2016-L2022 HydrophobicContact CE1-CB 4.42Å; F2016-L2022 HydrophobicContact CZ-CB 4.42Å; L2022-V2024 HydrophobicContact CD1-CG2 4.17Å; L2022-V2024 HydrophobicContact CD2-CG2 4.45Å; L2022-V2024 HydrophobicContact CG-CG2 4.07Å; L2022-I2028 HydrophobicContact CD2-CD1 4.04Å; L2022-F2040 HydrophobicContact CD2-CE1 4.11Å; L2022-N2235 PolarHBondContact N-O 3.05Å; L2022-I2236 HydrophobicContact CB-CG1 4.47Å; L2022-I2236 HydrophobicContact CD2-CG1 4.44Å; L2022-I2236 HydrophobicContact CD2-CG2 4.17Å; L2022-I2236 HydrophobicContact CG-CG2 4.39Å; L2022-I2236 CarbonylContact O-C 3.54Å; L2022-I2236 WeakPolarHBondContact O-CA 3.42Å; L2022-R2237 PolarHBondContact O-N 3.02Å
2023	L	94	Very high	91.9	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.4	173.4	176.2	63	0	0	0	109.9	N1935 I1998 T1999 V2000 L2025 R2237 V2239 F2404	N1935-L2023 HydrophobicContact CB-CD2 4.16Å; N1935-L2023 VanDerWaalsContact ND2-CB 3.25Å; N1935-L2023 WeakPolarHBondContact ND2-CB 3.23Å; I1998-L2023 PolarHBondContact O-N 3.21Å; T1999-L2023 CarbonylContact C-O 3.5Å; T1999-L2023 VanDerWaalsContact CA-O 3.28Å; T1999-L2023 WeakPolarHBondContact CA-O 3.41Å; T1999-L2023 HydrophobicContact CG2-CB 4.44Å; T1999-L2023 HydrophobicContact CG2-CD2 4.04Å; T1999-L2023 HydrophobicContact CG2-CG 4.28Å; V2000-L2023 PolarHBondContact N-O 3.24Å; L2023-L2025 HydrophobicContact CD1-CD2 4.19Å; L2023-L2025 HydrophobicContact CD2-CD1 4.48Å; L2023-L2025 HydrophobicContact CD2-CD2 4.36Å; L2023-L2025 HydrophobicContact CD2-CG 4.36Å; L2023-L2025 HydrophobicContact CG-CD2 4.27Å; L2023-L2025 HydrophobicContact CG-CG 4.21Å; L2023-R2237 CarbonylContact C-O 3.43Å; L2023-R2237 WeakPolarHBondContact CA-O 3.41Å; L2023-R2237 HydrophobicContact CD1-CB 3.76Å; L2023-V2239 HydrophobicContact CD1-CG2 4.02Å; L2023-F2404 HydrophobicContact CD1-CD2 3.87Å; L2023-F2404 HydrophobicContact CD1-CE2 4.16Å; L2023-F2404 HydrophobicContact CD1-CG 4.4Å; L2023-F2404 HydrophobicContact CD2-CD2 4.02Å; L2023-F2404 HydrophobicContact CD2-CE1 4.41Å; L2023-F2404 HydrophobicContact CD2-CE2 3.69Å; L2023-F2404 HydrophobicContact CD2-CZ 4.07Å; L2023-F2404 HydrophobicContact CG-CE2 4.48Å
2024	V	94.3	Very high	91.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	101.1	179.7	-175.4	0	0	0	0	108.8	V2000 L2022 I2028 R2237 I2238 V2239	V2000-V2024 HydrophobicContact CB-CB 4.46Å; V2000-V2024 HydrophobicContact CB-CG1 4.16Å; V2000-V2024 HydrophobicContact CG1-CG1 4.49Å; V2000-V2024 HydrophobicContact CG2-CG1 4.42Å; V2000-V2024 HydrophobicContact CG2-CG2 4.13Å; L2022-V2024 HydrophobicContact CD1-CG2 4.17Å; L2022-V2024 HydrophobicContact CD2-CG2 4.45Å; L2022-V2024 HydrophobicContact CG-CG2 4.07Å; V2024-I2028 HydrophobicContact CG1-CB 3.99Å; V2024-I2028 HydrophobicContact CG1-CG2 4.07Å; V2024-I2028 HydrophobicContact CG2-CB 4.2Å; V2024-I2028 HydrophobicContact CG2-CD1 4.22Å; V2024-I2028 HydrophobicContact CG2-CG2 4.27Å; V2024-R2237 PolarHBondContact N-O 2.97Å; V2024-I2238 HydrophobicContact CB-CG1 4.33Å; V2024-I2238 HydrophobicContact CG2-CG1 4.49Å; V2024-V2239 PolarHBondContact O-N 2.98Å; V2024-V2239 VanDerWaalsContact O-O 3.13Å
2025	L	90.7	Very high	91.7	Very high	4.4 Å²	4.4	29.4 Å²	29.4	2%	0.023	15%	0.147	C	C	.	.	S	Bend	trans	-91.2	-21.9	170.3	-55.1	172.1	0	0	0	111.9	I1905 T1999 V2000 P2002 L2023 V2239 P2241	I1905-L2025 HydrophobicContact CB-CD1 4.41Å; I1905-L2025 HydrophobicContact CD1-CD2 4.42Å; I1905-L2025 HydrophobicContact CG2-CD1 3.74Å; T1999-L2025 HydrophobicContact CG2-CD1 4.11Å; T1999-L2025 HydrophobicContact CG2-CG 4.36Å; V2000-L2025 WeakPolarHBondContact O-CA 3.32Å; V2000-L2025 WeakPolarHBondContact O-CB 3.26Å; V2000-L2025 PolarHBondContact O-N 2.99Å; P2002-L2025 HydrophobicContact CG-CB 3.95Å; P2002-L2025 HydrophobicContact CG-CD1 4.4Å; L2023-L2025 HydrophobicContact CD1-CD2 4.19Å; L2023-L2025 HydrophobicContact CD2-CD1 4.48Å; L2023-L2025 HydrophobicContact CD2-CD2 4.36Å; L2023-L2025 HydrophobicContact CD2-CG 4.36Å; L2023-L2025 HydrophobicContact CG-CD2 4.27Å; L2023-L2025 HydrophobicContact CG-CG 4.21Å; L2025-V2239 WeakPolarHBondContact CA-O 3.38Å; L2025-V2239 HydrophobicContact CD2-CB 4.1Å; L2025-V2239 HydrophobicContact CD2-CG1 4.39Å; L2025-P2241 HydrophobicContact CB-CG 4.47Å; L2025-P2241 VanDerWaalsContact O-CD 3.26Å; L2025-P2241 WeakPolarHBondContact O-CD 3.32Å
2026	G	89.8	Confident	91.8	Very high	12 Å²	12	33.1 Å²	33.1	12%	0.124	17%	0.168	C	C	.	.	S	Bend	trans	-90.3	-134.1	172.2	0	0	0	0	0	112.6	V2000 M2001 V2004	V2000-G2026 PolarHBondContact O-N 3.15Å; V2000-G2026 VanDerWaalsContact O-N 3.15Å; M2001-G2026 VanDerWaalsContact O-CA 3.26Å; M2001-G2026 WeakPolarHBondContact O-CA 3.3Å; M2001-G2026 PolarHBondContact O-N 2.72Å; V2004-G2026 CarbonylContact O-C 3.58Å; V2004-G2026 WeakPolarHBondContact O-CA 3.33Å
2027	R	92	Very high	92	Very high	29.8 Å²	29.8	34.5 Å²	34.5	11%	0.112	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.4	178.7	-176.1	174.8	178.8	-104.3	-14.2	110.7	V2004 E2005 L2006 E2029 K2260 Q2261	V2004-R2027 PolarHBondContact O-N 3.1Å; E2005-R2027 WeakPolarHBondContact CA-O 3.39Å; E2005-R2027 HydrophobicContact CB-CB 4.47Å; E2005-R2027 HydrophobicContact CG-CB 4.25Å; E2005-R2027 HydrophobicContact CG-CG 4.29Å; E2005-R2027 IonicContact OE1-CZ 3.17Å; E2005-R2027 IonicContact OE1-NH1 2.99Å; E2005-R2027 PolarHBondContact OE1-NH1 3.1Å; E2005-R2027 WeakPolarHBondContact OE2-CD 3.43Å; E2005-R2027 IonicContact OE2-CZ 3.05Å; E2005-R2027 IonicContact OE2-NE 2.74Å; E2005-R2027 IonicContact OE2-NH1 3.35Å; E2005-R2027 PolarHBondContact OE2-NH1 3.04Å; L2006-R2027 PolarHBondContact N-O 3.01Å; R2027-E2029 IonicContact CZ-OE2 3.33Å; R2027-E2029 VanDerWaalsContact CZ-OE2 3.24Å; R2027-E2029 IonicContact NH1-OE2 3.2Å; R2027-E2029 PolarHBondContact NH1-OE2 3.19Å; R2027-E2029 VanDerWaalsContact NH2-CD 3.32Å; R2027-E2029 IonicContact NH2-OE1 3.02Å; R2027-E2029 IonicContact NH2-OE2 3.37Å; R2027-E2029 PolarHBondContact NH2-OE2 3.15Å; R2027-K2260 WeakPolarHBondContact CD-O 3.05Å; R2027-Q2261 PolarHBondContact NE-O 2.92Å; R2027-Q2261 PolarHBondContact NH2-O 3.07Å
2028	I	95.2	Very high	92.5	Very high	0.4 Å²	0.4	34.3 Å²	34.3	0%	0.002	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.6	169.5	-172.5	169.3	0	0	0	110	L2006 I2008 L2022 V2024 A2030 I2238 S2262 V2263 L2264	L2006-I2028 HydrophobicContact CB-CG1 4.49Å; L2006-I2028 HydrophobicContact CD2-CD1 4.21Å; L2006-I2028 HydrophobicContact CD2-CG1 4.44Å; L2006-I2028 WeakPolarHBondContact O-CA 3.3Å; I2008-I2028 HydrophobicContact CD1-CD1 3.99Å; I2008-I2028 HydrophobicContact CD1-CG1 4.32Å; L2022-I2028 HydrophobicContact CD2-CD1 4.04Å; V2024-I2028 HydrophobicContact CG1-CB 3.99Å; V2024-I2028 HydrophobicContact CG1-CG2 4.07Å; V2024-I2028 HydrophobicContact CG2-CB 4.2Å; V2024-I2028 HydrophobicContact CG2-CD1 4.22Å; V2024-I2028 HydrophobicContact CG2-CG2 4.27Å; I2028-A2030 HydrophobicContact CG1-CB 4.45Å; I2028-I2238 HydrophobicContact CG2-CD1 3.87Å; I2028-I2238 HydrophobicContact CG2-CG1 4.35Å; I2028-S2262 PolarHBondContact N-OG 3.11Å; I2028-S2262 VanDerWaalsContact N-OG 3.12Å; I2028-S2262 CarbonylContact O-C 3.47Å; I2028-S2262 VanDerWaalsContact O-CA 3.23Å; I2028-S2262 WeakPolarHBondContact O-CA 3.25Å; I2028-S2262 WeakPolarHBondContact O-CB 3.41Å; I2028-V2263 PolarHBondContact O-N 2.96Å; I2028-L2264 HydrophobicContact CD1-CD2 4.43Å; I2028-L2264 HydrophobicContact CG2-CD1 4.11Å; I2028-L2264 HydrophobicContact CG2-CD2 4.24Å
2029	E	95.8	Very high	93.2	Very high	41 Å²	41	35.8 Å²	35.8	19%	0.192	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	98.9	173.2	178.3	150.9	-155.8	0	0	109.1	L2006 Q2007 I2008 R2027 R2031	L2006-E2029 PolarHBondContact O-N 2.85Å; Q2007-E2029 WeakPolarHBondContact CA-O 3.33Å; Q2007-E2029 HydrophobicContact CG-CB 4.41Å; I2008-E2029 PolarHBondContact N-O 3.02Å; R2027-E2029 IonicContact CZ-OE2 3.33Å; R2027-E2029 VanDerWaalsContact CZ-OE2 3.24Å; R2027-E2029 IonicContact NH1-OE2 3.2Å; R2027-E2029 PolarHBondContact NH1-OE2 3.19Å; R2027-E2029 VanDerWaalsContact NH2-CD 3.32Å; R2027-E2029 IonicContact NH2-OE1 3.02Å; R2027-E2029 IonicContact NH2-OE2 3.37Å; R2027-E2029 PolarHBondContact NH2-OE2 3.15Å; E2029-R2031 HydrophobicContact CG-CG 4.39Å; E2029-R2031 IonicContact OE1-CZ 3.29Å; E2029-R2031 IonicContact OE1-NE 2.87Å; E2029-R2031 PolarHBondContact OE1-NE 2.96Å; E2029-R2031 IonicContact OE1-NH2 3.23Å; E2029-R2031 PolarHBondContact OE1-NH2 3.15Å; E2029-R2031 VanDerWaalsContact OE1-NH2 3.17Å
2030	A	95.8	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	102.5	179.2	0	0	0	0	0	108.8	I2008 I2028 I2038 V2263 L2264 E2265 I2267	I2008-A2030 HydrophobicContact CB-CB 4.26Å; I2008-A2030 HydrophobicContact CD1-CB 4.19Å; I2028-A2030 HydrophobicContact CG1-CB 4.45Å; A2030-I2038 HydrophobicContact CB-CD1 3.73Å; A2030-V2263 PolarHBondContact N-O 3.08Å; A2030-L2264 HydrophobicContact CB-CD2 3.98Å; A2030-L2264 WeakPolarHBondContact O-CA 3.4Å; A2030-E2265 PolarHBondContact O-N 3.13Å; A2030-I2267 HydrophobicContact CB-CD1 3.61Å
2031	R	94.2	Very high	94	Very high	101 Å²	101	34.7 Å²	34.7	38%	0.381	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	95.2	179.3	-63.7	-176.4	-171	-91.5	2.9	109.9	E2029 V2263 E2265	E2029-R2031 HydrophobicContact CG-CG 4.39Å; E2029-R2031 IonicContact OE1-CZ 3.29Å; E2029-R2031 IonicContact OE1-NE 2.87Å; E2029-R2031 PolarHBondContact OE1-NE 2.96Å; E2029-R2031 IonicContact OE1-NH2 3.23Å; E2029-R2031 PolarHBondContact OE1-NH2 3.15Å; E2029-R2031 VanDerWaalsContact OE1-NH2 3.17Å; R2031-V2263 HydrophobicContact CG-CG1 4.2Å; R2031-E2265 IonicContact CZ-OE2 3.06Å; R2031-E2265 IonicContact NE-OE2 3.79Å; R2031-E2265 IonicContact NH1-OE1 3.59Å; R2031-E2265 PolarHBondContact NH1-OE1 2.92Å; R2031-E2265 IonicContact NH1-OE2 3.22Å; R2031-E2265 PolarHBondContact NH1-OE2 3.2Å
2032	G	94.4	Very high	93.9	Very high	7.2 Å²	7.2	35 Å²	35	7%	0.074	18%	0.18	C	C	.	.			trans	-74.1	179.3	166.1	0	0	0	0	0	111.8	E2265 Y2266	G2032-E2265 PolarHBondContact N-O 3.03Å; G2032-Y2266 VanDerWaalsContact C-CB 3.49Å; G2032-Y2266 WeakPolarHBondContact O-CD2 3.38Å
2033	T	94.8	Very high	93.4	Very high	60.8 Å²	60.8	35.2 Å²	35.2	37%	0.373	18%	0.181	S	C	.	.			trans	-122.1	169.7	166.6	58.9	0	0	0	0	109.3	A2010 D2035 N2036 P2037	A2010-T2033 HydrophobicContact CB-CG2 4.27Å; T2033-D2035 VanDerWaalsContact C-N 3.26Å; T2033-D2035 PolarHBondContact O-N 3.03Å; T2033-N2036 PolarHBondContact N-O 2.91Å; T2033-N2036 VanDerWaalsContact N-O 3.09Å; T2033-N2036 CarbonylContact O-C 3.55Å; T2033-N2036 VanDerWaalsContact O-C 3.23Å; T2033-N2036 PolarHBondContact O-N 2.97Å; T2033-N2036 WeakPolarHBondContact OG1-CB 3.37Å; T2033-N2036 PolarHBondContact OG1-N 2.98Å; T2033-N2036 VanDerWaalsContact OG1-N 3.09Å; T2033-N2036 PolarHBondContact OG1-O 3.19Å; T2033-P2037 WeakPolarHBondContact O-CA 3.31Å; T2033-P2037 VanDerWaalsContact O-N 3.13Å
2034	H	90.9	Very high	92.2	Very high	150.2 Å²	150.2	39.9 Å²	39.9	70%	0.695	21%	0.206	S	C	*	.	S	Bend	trans	-57.1	-41.8	175.1	-178.2	35	0	0	0	112.2	Y2266	H2034-Y2266 HydrophobicContact CB-CD1 4.38Å; H2034-Y2266 HydrophobicContact CB-CE1 3.97Å
2035	D	93.3	Very high	90.5	Very high	133.6 Å²	133.6	42.1 Å²	42.1	71%	0.714	22%	0.217	S	C	*	.	S	Bend	trans	-80.8	-33.6	-177.7	-55.5	-35.4	0	0	0	112.2	T2033 P2037	T2033-D2035 VanDerWaalsContact C-N 3.26Å; T2033-D2035 PolarHBondContact O-N 3.03Å; D2035-P2037 WeakPolarHBondContact O-CD 3.37Å
2036	N	94.4	Very high	88.7	Confident	95.2 Å²	95.2	45.7 Å²	45.7	51%	0.509	24%	0.243	S	C	.	.	S	Bend	trans	-125.6	75.4	179.6	-63.3	-50	0	0	0	110.7	A2010 G2011 T2033	A2010-N2036 HydrophobicContact CB-CB 4.44Å; G2011-N2036 PolarHBondContact N-O 3.09Å; G2011-N2036 VanDerWaalsContact N-O 3.13Å; T2033-N2036 PolarHBondContact N-O 2.91Å; T2033-N2036 VanDerWaalsContact N-O 3.09Å; T2033-N2036 CarbonylContact O-C 3.55Å; T2033-N2036 VanDerWaalsContact O-C 3.23Å; T2033-N2036 PolarHBondContact O-N 2.97Å; T2033-N2036 WeakPolarHBondContact OG1-CB 3.37Å; T2033-N2036 PolarHBondContact OG1-N 2.98Å; T2033-N2036 VanDerWaalsContact OG1-N 3.09Å; T2033-N2036 PolarHBondContact OG1-O 3.19Å
2037	P	95.7	Very high	86.6	Confident	29.8 Å²	29.8	51.4 Å²	51.4	19%	0.194	27%	0.267	C	S	.	.			trans	-69.9	155.4	175.2	29.8	-35.1	0	0	0	111	G2011 T2033 D2035 Y2266	G2011-P2037 WeakPolarHBondContact CA-O 3.31Å; T2033-P2037 WeakPolarHBondContact O-CA 3.31Å; T2033-P2037 VanDerWaalsContact O-N 3.13Å; D2035-P2037 WeakPolarHBondContact O-CD 3.37Å; P2037-Y2266 VanDerWaalsContact CA-O 3.32Å; P2037-Y2266 WeakPolarHBondContact CA-O 3.29Å; P2037-Y2266 WeakPolarHBondContact CB-O 3.34Å
2038	I	97.1	Very high	84.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.7	170.7	-62.5	166.6	0	0	0	108.1	I2008 V2012 A2030 F2040 Y2266 I2267 N2268	I2008-I2038 HydrophobicContact CB-CD1 4.13Å; I2008-I2038 HydrophobicContact CG2-CD1 3.74Å; I2008-I2038 HydrophobicContact CG2-CG1 4.18Å; I2008-I2038 HydrophobicContact CG2-CG2 3.94Å; V2012-I2038 WeakPolarHBondContact O-CA 3.31Å; V2012-I2038 WeakPolarHBondContact O-CG2 2.99Å; A2030-I2038 HydrophobicContact CB-CD1 3.73Å; I2038-F2040 HydrophobicContact CB-CE2 4.47Å; I2038-F2040 HydrophobicContact CG2-CD2 4.18Å; I2038-F2040 HydrophobicContact CG2-CE2 3.52Å; I2038-F2040 VanDerWaalsContact CG2-CE2 3.48Å; I2038-F2040 HydrophobicContact CG2-CZ 3.91Å; I2038-Y2266 PolarHBondContact N-O 2.92Å; I2038-I2267 HydrophobicContact CB-CG1 4.38Å; I2038-I2267 CarbonylContact O-C 3.55Å; I2038-I2267 WeakPolarHBondContact O-CA 3.34Å; I2038-N2268 PolarHBondContact O-N 2.81Å
2039	I	95.7	Very high	81.6	Confident	45.6 Å²	45.6	57.6 Å²	57.6	23%	0.234	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.8	-173.4	-57.3	173.1	0	0	0	109.8	V2012 K2013 F2014 T2041 N2268	V2012-I2039 PolarHBondContact O-N 3Å; K2013-I2039 CarbonylContact C-O 3.48Å; K2013-I2039 WeakPolarHBondContact CA-O 3.39Å; K2013-I2039 HydrophobicContact CB-CB 4.4Å; K2013-I2039 HydrophobicContact CG-CB 4.07Å; K2013-I2039 HydrophobicContact CG-CG2 4.2Å; F2014-I2039 PolarHBondContact N-O 2.92Å; I2039-T2041 HydrophobicContact CG2-CG2 4.25Å; I2039-N2268 WeakPolarHBondContact CA-O 3.31Å; I2039-N2268 HydrophobicContact CG1-CB 4.36Å
2040	F	96.1	Very high	78.7	Confident	0.8 Å²	0.8	62.8 Å²	62.8	0%	0.004	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.9	169.3	-59.5	-96.5	0	0	0	108.5	I2008 F2014 F2016 L2022 I2038 W2233 I2236 I2267 N2268 I2269 E2270	I2008-F2040 HydrophobicContact CD1-CE1 4.37Å; I2008-F2040 HydrophobicContact CD1-CZ 3.96Å; F2014-F2040 HydrophobicContact CB-CD1 4.12Å; F2014-F2040 AromaticContact CD2-CD1 3.85Å; F2014-F2040 HydrophobicContact CD2-CD1 3.85Å; F2014-F2040 AromaticContact CD2-CE1 3.51Å; F2014-F2040 HydrophobicContact CD2-CE1 3.51Å; F2014-F2040 VanDerWaalsContact CD2-CE1 3.48Å; F2014-F2040 AromaticContact CD2-CZ 3.97Å; F2014-F2040 HydrophobicContact CD2-CZ 4.13Å; F2014-F2040 AromaticContact CE2-CE1 3.88Å; F2014-F2040 HydrophobicContact CE2-CE1 3.99Å; F2014-F2040 HydrophobicContact CE2-CZ 4.35Å; F2014-F2040 HydrophobicContact CG-CD1 4.3Å; F2014-F2040 HydrophobicContact CG-CE1 4.29Å; F2016-F2040 HydrophobicContact CE2-CB 4.31Å; F2016-F2040 AromaticContact CE2-CD1 3.76Å; F2016-F2040 HydrophobicContact CE2-CD1 3.76Å; F2016-F2040 HydrophobicContact CE2-CG 4.48Å; F2016-F2040 HydrophobicContact CZ-CD1 4.09Å; L2022-F2040 HydrophobicContact CD2-CE1 4.11Å; I2038-F2040 HydrophobicContact CB-CE2 4.47Å; I2038-F2040 HydrophobicContact CG2-CD2 4.18Å; I2038-F2040 HydrophobicContact CG2-CE2 3.52Å; I2038-F2040 VanDerWaalsContact CG2-CE2 3.48Å; I2038-F2040 HydrophobicContact CG2-CZ 3.91Å; F2040-W2233 HydrophobicContact CB-CH2 3.85Å; F2040-W2233 HydrophobicContact CB-CZ2 3.61Å; F2040-W2233 HydrophobicContact CD1-CH2 4.45Å; F2040-W2233 HydrophobicContact CG-CH2 4.48Å; F2040-I2236 HydrophobicContact CB-CD1 4.48Å; F2040-I2236 HydrophobicContact CD1-CD1 3.94Å; F2040-I2236 HydrophobicContact CD2-CD1 4Å; F2040-I2236 HydrophobicContact CE1-CD1 4.11Å; F2040-I2236 HydrophobicContact CE2-CD1 4.13Å; F2040-I2236 HydrophobicContact CG-CD1 3.92Å; F2040-I2236 HydrophobicContact CZ-CD1 4.2Å; F2040-I2267 HydrophobicContact CD2-CG2 3.51Å; F2040-I2267 VanDerWaalsContact CD2-CG2 3.49Å; F2040-I2267 HydrophobicContact CE2-CD1 4.33Å; F2040-I2267 HydrophobicContact CE2-CG2 3.52Å; F2040-I2267 VanDerWaalsContact CE2-CG2 3.5Å; F2040-N2268 PolarHBondContact N-O 3.14Å; F2040-I2269 HydrophobicContact CD2-CG1 4.43Å; F2040-I2269 WeakPolarHBondContact O-CA 3.37Å; F2040-E2270 PolarHBondContact O-N 3.12Å
2041	T	93.6	Very high	75.8	Confident	11.6 Å²	11.6	67.9 Å²	67.9	7%	0.071	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	171.7	-177.1	-170.3	0	0	0	0	111.4	K2013 F2014 E2015 F2016 I2039 E2270 N2271	K2013-T2041 VanDerWaalsContact CE-CG2 3.49Å; F2014-T2041 WeakPolarHBondContact O-CG2 3.43Å; F2014-T2041 PolarHBondContact O-N 3Å; E2015-T2041 CarbonylContact C-O 3.53Å; E2015-T2041 VanDerWaalsContact CA-O 3.29Å; E2015-T2041 WeakPolarHBondContact CA-O 3.36Å; E2015-T2041 HydrophobicContact CG-CG2 4.05Å; F2016-T2041 PolarHBondContact N-O 3.36Å; I2039-T2041 HydrophobicContact CG2-CG2 4.25Å; T2041-E2270 WeakPolarHBondContact CA-O 3.41Å; T2041-N2271 PolarHBondContact OG1-ND2 2.83Å
2042	S	89.4	Confident	73	Confident	7 Å²	7	71.3 Å²	71.3	5%	0.049	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	156.3	172.8	93	0	0	0	0	112.7	F2016 N2044 S2231 N2271	F2016-S2042 CarbonylContact O-C 3.53Å; F2016-S2042 VanDerWaalsContact O-CA 3.31Å; F2016-S2042 WeakPolarHBondContact O-CA 3.28Å; S2042-N2044 PolarHBondContact O-N 3.14Å; S2042-S2231 VanDerWaalsContact CB-C 3.48Å; S2042-S2231 WeakPolarHBondContact CB-O 3.36Å; S2042-S2231 PolarHBondContact OG-O 3.23Å; S2042-N2271 WeakPolarHBondContact OG-CB 3.36Å; S2042-N2271 PolarHBondContact OG-ND2 2.9Å
2043	I	84	Confident	70.2	Confident	8.8 Å²	8.8	77.1 Å²	77.1	5%	0.045	40%	0.398	C	S	.	.			trans	-61.8	131.6	168.5	-65.4	170.2	0	0	0	109.4	K1993 M1995 E2015 F2016 A2017 N2045 L2048	K1993-I2043 HydrophobicContact CB-CD1 4.47Å; M1995-I2043 HydrophobicContact CE-CD1 3.3Å; M1995-I2043 HydrophobicContact SD-CD1 3.87Å; E2015-I2043 HydrophobicContact CB-CG1 3.9Å; E2015-I2043 WeakPolarHBondContact O-CG1 3.39Å; F2016-I2043 WeakPolarHBondContact O-CG1 3.34Å; F2016-I2043 PolarHBondContact O-N 3.02Å; A2017-I2043 HydrophobicContact CB-CD1 3.82Å; I2043-N2045 PolarHBondContact O-N 2.85Å; I2043-L2048 HydrophobicContact CB-CD1 4.11Å; I2043-L2048 HydrophobicContact CG2-CD1 3.85Å; I2043-L2048 HydrophobicContact CG2-CG 4.31Å
2044	N	70	Confident	67.1	Low	99.6 Å²	99.6	77.5 Å²	77.5	53%	0.533	40%	0.403	S	S	.	.			trans	-78.3	117.9	177.8	-150.9	-11.8	0	0	0	110.9	S2042 S2046 Q2047	S2042-N2044 PolarHBondContact O-N 3.14Å; N2044-S2046 VanDerWaalsContact C-N 3.27Å; N2044-S2046 PolarHBondContact ND2-OG 3.22Å; N2044-S2046 PolarHBondContact O-N 3.12Å; N2044-S2046 VanDerWaalsContact O-N 3.12Å; N2044-S2046 WeakPolarHBondContact OD1-CB 3.35Å; N2044-S2046 PolarHBondContact OD1-N 3.41Å; N2044-S2046 PolarHBondContact OD1-OG 3.05Å; N2044-Q2047 PolarHBondContact O-N 3.07Å
2045	N	58.3	Low	64.4	Low	44.6 Å²	44.6	74.1 Å²	74.1	24%	0.239	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-62.7	-17	-176	-76.9	-17.7	0	0	0	114.7	I2043 Q2047 L2048 E2049 T2230	I2043-N2045 PolarHBondContact O-N 2.85Å; N2045-Q2047 VanDerWaalsContact C-N 3.27Å; N2045-Q2047 PolarHBondContact O-N 3.13Å; N2045-Q2047 VanDerWaalsContact O-N 3.11Å; N2045-L2048 PolarHBondContact O-N 3.04Å; N2045-L2048 VanDerWaalsContact O-N 3.09Å; N2045-L2048 VanDerWaalsContact OD1-CD1 3.3Å; N2045-L2048 WeakPolarHBondContact OD1-CD1 3.43Å; N2045-E2049 PolarHBondContact O-N 3.12Å; N2045-T2230 VanDerWaalsContact ND2-CB 3.32Å; N2045-T2230 WeakPolarHBondContact ND2-CB 3.27Å; N2045-T2230 PolarHBondContact ND2-O 3.11Å; N2045-T2230 PolarHBondContact ND2-OG1 3.15Å; N2045-T2230 PolarHBondContact OD1-O 3Å
2046	S	51.9	Low	61.4	Low	80.8 Å²	80.8	72.6 Å²	72.6	57%	0.565	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-61	-21.3	173.9	58.7	0	0	0	0	113.5	N2044	N2044-S2046 VanDerWaalsContact C-N 3.27Å; N2044-S2046 PolarHBondContact ND2-OG 3.22Å; N2044-S2046 PolarHBondContact O-N 3.12Å; N2044-S2046 VanDerWaalsContact O-N 3.12Å; N2044-S2046 WeakPolarHBondContact OD1-CB 3.35Å; N2044-S2046 PolarHBondContact OD1-N 3.41Å; N2044-S2046 PolarHBondContact OD1-OG 3.05Å
2047	Q	45.3	Very low	58.5	Low	131.8 Å²	131.8	72.9 Å²	72.9	62%	0.616	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-94.3	-11.1	175.4	-66.3	-159.2	-6.7	0	0	114.5	N2044 N2045 E2049	N2044-Q2047 PolarHBondContact O-N 3.07Å; N2045-Q2047 VanDerWaalsContact C-N 3.27Å; N2045-Q2047 PolarHBondContact O-N 3.13Å; N2045-Q2047 VanDerWaalsContact O-N 3.11Å; Q2047-E2049 VanDerWaalsContact C-N 3.34Å; Q2047-E2049 PolarHBondContact O-N 3.01Å; Q2047-E2049 VanDerWaalsContact O-N 3.15Å
2048	L	46.1	Very low	55.3	Low	44.2 Å²	44.2	79.5 Å²	79.5	23%	0.231	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.5	173.3	-102	101.5	0	0	0	111.7	Q1855 F1856 I2043 N2045 N2050 N2051 F2053 S2054 I2057	Q1855-L2048 HydrophobicContact CB-CD2 4.09Å; Q1855-L2048 HydrophobicContact CG-CD2 4.27Å; F1856-L2048 HydrophobicContact CE2-CD2 3.97Å; I2043-L2048 HydrophobicContact CB-CD1 4.11Å; I2043-L2048 HydrophobicContact CG2-CD1 3.85Å; I2043-L2048 HydrophobicContact CG2-CG 4.31Å; N2045-L2048 PolarHBondContact O-N 3.04Å; N2045-L2048 VanDerWaalsContact O-N 3.09Å; N2045-L2048 VanDerWaalsContact OD1-CD1 3.3Å; N2045-L2048 WeakPolarHBondContact OD1-CD1 3.43Å; L2048-N2050 VanDerWaalsContact C-N 3.3Å; L2048-N2050 PolarHBondContact O-N 3.27Å; L2048-N2050 VanDerWaalsContact O-N 3.14Å; L2048-N2051 PolarHBondContact O-N 2.76Å; L2048-F2053 HydrophobicContact CD2-CB 4.31Å; L2048-S2054 WeakPolarHBondContact O-CB 3.42Å; L2048-I2057 HydrophobicContact CB-CD1 3.84Å; L2048-I2057 HydrophobicContact CD2-CD1 3.68Å; L2048-I2057 HydrophobicContact CG-CD1 4.05Å
2049	E	38.1	Very low	52.1	Low	115.4 Å²	115.4	82.8 Å²	82.8	54%	0.539	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	5.9	-179	-68.7	-165.9	165.4	0	0	114.2	N2045 Q2047 N2051 S2054 K2058 K2224	N2045-E2049 PolarHBondContact O-N 3.12Å; Q2047-E2049 VanDerWaalsContact C-N 3.34Å; Q2047-E2049 PolarHBondContact O-N 3.01Å; Q2047-E2049 VanDerWaalsContact O-N 3.15Å; E2049-N2051 PolarHBondContact O-N 2.97Å; E2049-S2054 VanDerWaalsContact C-CB 3.46Å; E2049-S2054 VanDerWaalsContact O-CB 3.31Å; E2049-S2054 WeakPolarHBondContact O-CB 3.42Å; E2049-S2054 PolarHBondContact O-OG 3.06Å; E2049-K2058 WeakPolarHBondContact OE1-CE 3.1Å; E2049-K2058 IonicContact OE1-NZ 3.12Å; E2049-K2058 PolarHBondContact OE1-NZ 2.88Å; E2049-K2058 VanDerWaalsContact OE1-NZ 3.11Å; E2049-K2058 IonicContact OE2-NZ 3.97Å; E2049-K2058 PolarHBondContact OE2-NZ 2.98Å; E2049-K2224 IonicContact OE1-NZ 2.75Å; E2049-K2224 IonicContact OE2-NZ 3.62Å; E2049-K2224 PolarHBondContact OE2-NZ 2.87Å; E2049-K2224 VanDerWaalsContact OE2-NZ 3.13Å
2050	N	34.3	Very low	49	Very low	151.6 Å²	151.6	85.9 Å²	85.9	81%	0.811	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	11.6	170.8	-89.4	-7.1	0	0	0	113.7	L2048 Q2052	L2048-N2050 VanDerWaalsContact C-N 3.3Å; L2048-N2050 PolarHBondContact O-N 3.27Å; L2048-N2050 VanDerWaalsContact O-N 3.14Å; N2050-Q2052 PolarHBondContact O-N 2.74Å
2051	N	34.8	Very low	46	Very low	105.4 Å²	105.4	91.2 Å²	91.2	56%	0.564	48%	0.48	S	S	*	.	S	Bend	trans	-85.4	134.5	173	-72	-16.7	0	0	0	110.7	L2048 E2049 F2053 S2054	L2048-N2051 PolarHBondContact O-N 2.76Å; E2049-N2051 PolarHBondContact O-N 2.97Å; N2051-F2053 VanDerWaalsContact C-N 3.29Å; N2051-F2053 HydrophobicContact CB-CD2 4.35Å; N2051-F2053 PolarHBondContact O-N 2.95Å; N2051-S2054 WeakPolarHBondContact O-CA 3.43Å; N2051-S2054 VanDerWaalsContact O-CB 3.3Å; N2051-S2054 WeakPolarHBondContact O-CB 3.29Å; N2051-S2054 PolarHBondContact O-N 3.15Å
2052	Q	35.3	Very low	42.8	Very low	172.8 Å²	172.8	98.3 Å²	98.3	81%	0.807	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	32.7	173.5	-69.2	-175	-30	0	0	114	N1890 N2050 S2054 S2055	N1890-Q2052 PolarHBondContact ND2-O 2.8Å; N1890-Q2052 VanDerWaalsContact ND2-O 3.17Å; N2050-Q2052 PolarHBondContact O-N 2.74Å; Q2052-S2054 VanDerWaalsContact C-N 3.31Å; Q2052-S2054 PolarHBondContact O-N 2.94Å; Q2052-S2055 PolarHBondContact O-OG 2.97Å; Q2052-S2055 VanDerWaalsContact O-OG 3.14Å
2053	F	34.5	Very low	40.1	Very low	129.8 Å²	129.8	105.5 Å²	105.5	57%	0.569	55%	0.546	S	S	*	.			trans	-107.2	5.3	176.6	-81.6	-84.6	0	0	0	115	K1852 L2048 N2051 S2055 M2056 I2057	K1852-F2053 HydrophobicContact CB-CE1 4.42Å; K1852-F2053 HydrophobicContact CD-CE1 4.22Å; K1852-F2053 HydrophobicContact CG-CE1 3.9Å; K1852-F2053 HydrophobicContact CG-CZ 4.32Å; K1852-F2053 WeakPolarHBondContact O-CE1 3.4Å; L2048-F2053 HydrophobicContact CD2-CB 4.31Å; N2051-F2053 VanDerWaalsContact C-N 3.29Å; N2051-F2053 HydrophobicContact CB-CD2 4.35Å; N2051-F2053 PolarHBondContact O-N 2.95Å; F2053-S2055 VanDerWaalsContact C-N 3.29Å; F2053-S2055 PolarHBondContact O-N 2.94Å; F2053-M2056 HydrophobicContact CD1-CE 3.74Å; F2053-M2056 HydrophobicContact CD1-SD 3.99Å; F2053-M2056 HydrophobicContact CE1-CE 3.99Å; F2053-M2056 HydrophobicContact CE1-SD 4.34Å; F2053-M2056 WeakPolarHBondContact O-CA 3.07Å; F2053-M2056 WeakPolarHBondContact O-CB 3.4Å; F2053-M2056 PolarHBondContact O-N 2.94Å; F2053-I2057 WeakPolarHBondContact O-CG1 3.49Å; F2053-I2057 PolarHBondContact O-N 2.95Å
2054	S	31.5	Very low	37.5	Very low	69.2 Å²	69.2	109.6 Å²	109.6	48%	0.484	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	0.1	-179	-179.3	0	0	0	0	114.2	L2048 E2049 N2051 Q2052 M2056 I2057 K2058	L2048-S2054 WeakPolarHBondContact O-CB 3.42Å; E2049-S2054 VanDerWaalsContact C-CB 3.46Å; E2049-S2054 VanDerWaalsContact O-CB 3.31Å; E2049-S2054 WeakPolarHBondContact O-CB 3.42Å; E2049-S2054 PolarHBondContact O-OG 3.06Å; N2051-S2054 WeakPolarHBondContact O-CA 3.43Å; N2051-S2054 VanDerWaalsContact O-CB 3.3Å; N2051-S2054 WeakPolarHBondContact O-CB 3.29Å; N2051-S2054 PolarHBondContact O-N 3.15Å; Q2052-S2054 VanDerWaalsContact C-N 3.31Å; Q2052-S2054 PolarHBondContact O-N 2.94Å; S2054-M2056 PolarHBondContact O-N 3.15Å; S2054-I2057 PolarHBondContact O-N 3.43Å; S2054-I2057 VanDerWaalsContact O-N 3.09Å; S2054-K2058 WeakPolarHBondContact O-CB 3.46Å; S2054-K2058 WeakPolarHBondContact O-CG 3.36Å; S2054-K2058 PolarHBondContact O-N 3.38Å; S2054-K2058 WeakPolarHBondContact OG-CE 3.21Å
2055	S	32.6	Very low	35.7	Very low	78 Å²	78	114.3 Å²	114.3	55%	0.545	59%	0.587	S	S	.	*	H	α-helix	trans	-96.2	2.4	178	62.4	0	0	0	0	113.5	N1890 Q2052 F2053 I2057	N1890-S2055 PolarHBondContact ND2-OG 3.2Å; N1890-S2055 PolarHBondContact O-OG 2.74Å; Q2052-S2055 PolarHBondContact O-OG 2.97Å; Q2052-S2055 VanDerWaalsContact O-OG 3.14Å; F2053-S2055 VanDerWaalsContact C-N 3.29Å; F2053-S2055 PolarHBondContact O-N 2.94Å; S2055-I2057 PolarHBondContact O-N 3.05Å
2056	M	30.6	Very low	34.6	Very low	102.8 Å²	102.8	118.1 Å²	118.1	51%	0.506	61%	0.607	S	S	.	*	H	α-helix	trans	-104.7	5.6	174.7	-92.2	-164.6	-132.4	0	0	114.6	K1852 F1854 N1890 P1892 F2053 S2054 K2058	K1852-M2056 HydrophobicContact CB-CE 4.27Å; F1854-M2056 HydrophobicContact CB-CG 4.4Å; F1854-M2056 VanDerWaalsContact CB-O 3.27Å; F1854-M2056 WeakPolarHBondContact CB-O 3.43Å; F1854-M2056 HydrophobicContact CD1-CG 3.27Å; F1854-M2056 HydrophobicContact CD1-SD 4.06Å; F1854-M2056 HydrophobicContact CD2-CG 3.92Å; F1854-M2056 HydrophobicContact CE1-CE 4.38Å; F1854-M2056 HydrophobicContact CE1-CG 3.33Å; F1854-M2056 HydrophobicContact CE1-SD 3.88Å; F1854-M2056 HydrophobicContact CE2-CG 3.99Å; F1854-M2056 HydrophobicContact CG-CB 4.5Å; F1854-M2056 HydrophobicContact CG-CG 3.58Å; F1854-M2056 HydrophobicContact CZ-CG 3.7Å; N1890-M2056 WeakPolarHBondContact O-CE 3.47Å; N1890-M2056 VanDerWaalsContact O-SD 3.39Å; P1892-M2056 HydrophobicContact CG-CE 3.77Å; F2053-M2056 HydrophobicContact CD1-CE 3.74Å; F2053-M2056 HydrophobicContact CD1-SD 3.99Å; F2053-M2056 HydrophobicContact CE1-CE 3.99Å; F2053-M2056 HydrophobicContact CE1-SD 4.34Å; F2053-M2056 WeakPolarHBondContact O-CA 3.07Å; F2053-M2056 WeakPolarHBondContact O-CB 3.4Å; F2053-M2056 PolarHBondContact O-N 2.94Å; S2054-M2056 PolarHBondContact O-N 3.15Å; M2056-K2058 VanDerWaalsContact C-N 3.31Å; M2056-K2058 PolarHBondContact O-N 2.95Å; M2056-K2058 VanDerWaalsContact O-N 3.08Å
2057	I	33.5	Very low	33.6	Very low	101.6 Å²	101.6	125.5 Å²	125.5	52%	0.521	62%	0.622	S	S	.	*	H	α-helix	trans	-111.7	22.7	176.9	-52.3	175.8	0	0	0	111.2	F1856 L2048 F2053 S2054 S2055 S2059 N2060	F1856-I2057 HydrophobicContact CE1-CD1 4.47Å; F1856-I2057 HydrophobicContact CE1-CG1 4.24Å; F1856-I2057 HydrophobicContact CE2-CG1 4.27Å; F1856-I2057 HydrophobicContact CE2-CG2 4.19Å; F1856-I2057 HydrophobicContact CZ-CB 4.22Å; F1856-I2057 HydrophobicContact CZ-CD1 3.99Å; F1856-I2057 HydrophobicContact CZ-CG1 3.55Å; F1856-I2057 HydrophobicContact CZ-CG2 3.95Å; L2048-I2057 HydrophobicContact CB-CD1 3.84Å; L2048-I2057 HydrophobicContact CD2-CD1 3.68Å; L2048-I2057 HydrophobicContact CG-CD1 4.05Å; F2053-I2057 WeakPolarHBondContact O-CG1 3.49Å; F2053-I2057 PolarHBondContact O-N 2.95Å; S2054-I2057 PolarHBondContact O-N 3.43Å; S2054-I2057 VanDerWaalsContact O-N 3.09Å; S2055-I2057 PolarHBondContact O-N 3.05Å; I2057-S2059 PolarHBondContact O-N 2.66Å; I2057-S2059 VanDerWaalsContact O-N 3.15Å; I2057-N2060 PolarHBondContact O-N 3.41Å
2058	K	28	Very low	33	Very low	168 Å²	168	127.7 Å²	127.7	73%	0.73	63%	0.629	S	S	*	*			trans	-100.7	25.3	169.2	-80.8	-175.4	177.8	175.9	0	111.2	E2049 S2054 M2056 N2060	E2049-K2058 WeakPolarHBondContact OE1-CE 3.1Å; E2049-K2058 IonicContact OE1-NZ 3.12Å; E2049-K2058 PolarHBondContact OE1-NZ 2.88Å; E2049-K2058 VanDerWaalsContact OE1-NZ 3.11Å; E2049-K2058 IonicContact OE2-NZ 3.97Å; E2049-K2058 PolarHBondContact OE2-NZ 2.98Å; S2054-K2058 WeakPolarHBondContact O-CB 3.46Å; S2054-K2058 WeakPolarHBondContact O-CG 3.36Å; S2054-K2058 PolarHBondContact O-N 3.38Å; S2054-K2058 WeakPolarHBondContact OG-CE 3.21Å; M2056-K2058 VanDerWaalsContact C-N 3.31Å; M2056-K2058 PolarHBondContact O-N 2.95Å; M2056-K2058 VanDerWaalsContact O-N 3.08Å; K2058-N2060 VanDerWaalsContact C-N 3.31Å; K2058-N2060 PolarHBondContact O-N 3.24Å
2059	S	31.4	Very low	32.3	Very low	69.8 Å²	69.8	129.1 Å²	129.1	49%	0.488	64%	0.641	S	S	.	*			trans	-71.1	72.5	168	50.3	0	0	0	0	109.8	E1851 I2057 L2061 F2063	E1851-S2059 WeakPolarHBondContact O-CB 3.21Å; I2057-S2059 PolarHBondContact O-N 2.66Å; I2057-S2059 VanDerWaalsContact O-N 3.15Å; S2059-L2061 VanDerWaalsContact C-N 3.26Å; S2059-L2061 PolarHBondContact O-N 3.15Å; S2059-F2063 WeakPolarHBondContact O-CD2 3.34Å
2060	N	30.8	Very low	32.1	Very low	109.4 Å²	109.4	131.1 Å²	131.1	59%	0.585	66%	0.656	S	S	*	*			trans	-72.6	57	179.3	-72.9	-39.5	0	0	0	111.5	K1852 F1854 F1856 I2057 K2058 M2062 F2063	K1852-N2060 HydrophobicContact CB-CB 3.78Å; K1852-N2060 HydrophobicContact CD-CB 4.1Å; K1852-N2060 WeakPolarHBondContact CD-OD1 3.23Å; K1852-N2060 WeakPolarHBondContact CE-OD1 3.29Å; K1852-N2060 HydrophobicContact CG-CB 3.94Å; K1852-N2060 WeakPolarHBondContact CG-OD1 3.38Å; K1852-N2060 PolarHBondContact NZ-OD1 2.85Å; F1854-N2060 PolarHBondContact O-ND2 3.22Å; F1854-N2060 PolarHBondContact O-OD1 3.09Å; F1856-N2060 WeakPolarHBondContact CD2-ND2 3.35Å; I2057-N2060 PolarHBondContact O-N 3.41Å; K2058-N2060 VanDerWaalsContact C-N 3.31Å; K2058-N2060 PolarHBondContact O-N 3.24Å; N2060-M2062 PolarHBondContact O-N 3.13Å; N2060-F2063 PolarHBondContact O-N 3.29Å
2061	L	31.5	Very low	32.2	Very low	112 Å²	112	129.3 Å²	129.3	59%	0.586	65%	0.645	S	S	*	*			trans	-65.7	63.2	159	-102.2	139.1	0	0	0	108.1	S2059 F2063 L2093	S2059-L2061 VanDerWaalsContact C-N 3.26Å; S2059-L2061 PolarHBondContact O-N 3.15Å; L2061-F2063 HydrophobicContact CB-CD2 4.38Å; L2061-F2063 HydrophobicContact CB-CE2 4.24Å; L2061-F2063 PolarHBondContact O-N 2.93Å; L2061-F2063 VanDerWaalsContact O-N 3.09Å; L2061-L2093 HydrophobicContact CD2-CD2 4.04Å
2062	M	27	Very low	32.2	Very low	160.8 Å²	160.8	129.8 Å²	129.8	79%	0.792	65%	0.651	S	S	*	*			trans	-66.1	83.4	158.3	-75.9	-150.3	-154.9	0	0	107.3	N2060 T2064	N2060-M2062 PolarHBondContact O-N 3.13Å; M2062-T2064 VanDerWaalsContact C-N 3.29Å; M2062-T2064 PolarHBondContact O-N 2.95Å
2063	F	31.8	Very low	32.2	Very low	159.4 Å²	159.4	128 Å²	128	70%	0.699	65%	0.647	S	S	*	*			trans	-63.9	79.9	158.7	-67.1	-82.9	0	0	0	107.4	S2059 N2060 L2061 K2065 L2066	S2059-F2063 WeakPolarHBondContact O-CD2 3.34Å; N2060-F2063 PolarHBondContact O-N 3.29Å; L2061-F2063 HydrophobicContact CB-CD2 4.38Å; L2061-F2063 HydrophobicContact CB-CE2 4.24Å; L2061-F2063 PolarHBondContact O-N 2.93Å; L2061-F2063 VanDerWaalsContact O-N 3.09Å; F2063-K2065 PolarHBondContact O-N 3.11Å; F2063-K2065 VanDerWaalsContact O-N 3.12Å; F2063-L2066 HydrophobicContact CD1-CD1 4.44Å
2064	T	31.1	Very low	32.2	Very low	93.8 Å²	93.8	127.6 Å²	127.6	58%	0.575	66%	0.656	S	S	*	*			trans	-57.8	101.1	164.7	49.7	0	0	0	0	106.2	M2062 L2066 S2094	M2062-T2064 VanDerWaalsContact C-N 3.29Å; M2062-T2064 PolarHBondContact O-N 2.95Å; T2064-L2066 VanDerWaalsContact C-N 3.3Å; T2064-L2066 WeakPolarHBondContact O-CG 3.32Å; T2064-L2066 PolarHBondContact O-N 3.06Å; T2064-S2094 WeakPolarHBondContact CG2-OG 3.38Å
2065	K	32.1	Very low	32.3	Very low	200 Å²	200	131.1 Å²	131.1	87%	0.87	67%	0.669	S	S	*	*			trans	-51.2	99.5	172.5	-82	180	176.2	175.2	0	106.7	F2063 R2067	F2063-K2065 PolarHBondContact O-N 3.11Å; F2063-K2065 VanDerWaalsContact O-N 3.12Å; K2065-R2067 VanDerWaalsContact C-N 3.27Å; K2065-R2067 PolarHBondContact O-N 3.03Å
2066	L	34.4	Very low	32.5	Very low	124.4 Å²	124.4	133.9 Å²	133.9	65%	0.651	68%	0.678	S	S	*	*			trans	-48.7	101.6	-178.8	-75.1	147.9	0	0	0	108.1	F2063 T2064 K2068 R2090 N2142	F2063-L2066 HydrophobicContact CD1-CD1 4.44Å; T2064-L2066 VanDerWaalsContact C-N 3.3Å; T2064-L2066 WeakPolarHBondContact O-CG 3.32Å; T2064-L2066 PolarHBondContact O-N 3.06Å; L2066-K2068 VanDerWaalsContact C-N 3.34Å; L2066-K2068 PolarHBondContact O-N 3.08Å; L2066-R2090 HydrophobicContact CD2-CG 4.31Å; L2066-N2142 HydrophobicContact CD2-CB 4.05Å
2067	R	30.6	Very low	32.8	Very low	235.8 Å²	235.8	136.5 Å²	136.5	89%	0.89	69%	0.694	S	S	*	*			trans	-65.2	102.1	156.1	-89.7	-173.1	173.8	-179.5	-0.6	104.3	K2065 P2069	K2065-R2067 VanDerWaalsContact C-N 3.27Å; K2065-R2067 PolarHBondContact O-N 3.03Å; R2067-P2069 VanDerWaalsContact C-N 3.35Å; R2067-P2069 WeakPolarHBondContact O-CD 3.47Å
2068	K	32.6	Very low	33.1	Very low	177.2 Å²	177.2	140.4 Å²	140.4	77%	0.77	71%	0.709	S	S	*	*			trans	-48.5	128	164.3	-71.7	-179.1	177.1	-179.2	0	105.8	L2066 N2070	L2066-K2068 VanDerWaalsContact C-N 3.34Å; L2066-K2068 PolarHBondContact O-N 3.08Å; K2068-N2070 PolarHBondContact O-N 3.1Å
2069	P	32.9	Very low	33.4	Very low	74.6 Å²	74.6	143.5 Å²	143.5	48%	0.484	72%	0.716	S	S	.	*			trans	-54.3	133.3	168.8	22	-30	0	0	0	107.2	R2067 I2071 L2093	R2067-P2069 VanDerWaalsContact C-N 3.35Å; R2067-P2069 WeakPolarHBondContact O-CD 3.47Å; P2069-I2071 HydrophobicContact CB-CD1 4.08Å; P2069-I2071 HydrophobicContact CB-CG1 3.94Å; P2069-I2071 HydrophobicContact CG-CD1 3.68Å; P2069-I2071 HydrophobicContact CG-CG1 4.15Å; P2069-I2071 PolarHBondContact O-N 3Å; P2069-L2093 HydrophobicContact CB-CD2 4.3Å; P2069-L2093 HydrophobicContact CG-CD2 4.3Å
2070	N	32.5	Very low	33.7	Very low	157.2 Å²	157.2	146.3 Å²	146.3	84%	0.841	73%	0.733	S	S	*	*			trans	-64.2	88.8	177.6	-77.2	-18.1	0	0	0	108.1	K2068 V2072	K2068-N2070 PolarHBondContact O-N 3.1Å; N2070-V2072 WeakPolarHBondContact O-CG2 3.32Å; N2070-V2072 PolarHBondContact O-N 3.04Å
2071	I	36.2	Very low	33.8	Very low	113.2 Å²	113.2	147.1 Å²	147.1	58%	0.581	74%	0.742	S	S	*	*			trans	-80	104.5	169.2	-59.3	172.2	0	0	0	105	P2069 N2073 T2074 Y2161	P2069-I2071 HydrophobicContact CB-CD1 4.08Å; P2069-I2071 HydrophobicContact CB-CG1 3.94Å; P2069-I2071 HydrophobicContact CG-CD1 3.68Å; P2069-I2071 HydrophobicContact CG-CG1 4.15Å; P2069-I2071 PolarHBondContact O-N 3Å; I2071-N2073 HydrophobicContact CG2-CB 4.14Å; I2071-N2073 PolarHBondContact O-N 3.34Å; I2071-T2074 HydrophobicContact CG2-CG2 4.48Å; I2071-Y2161 HydrophobicContact CD1-CD1 4.35Å
2072	V	36.5	Very low	33.9	Very low	115 Å²	115	148.1 Å²	148.1	70%	0.697	75%	0.753	S	S	*	*	S	Bend	trans	-25.9	95.6	173.9	-175.1	0	0	0	0	112	N2070 T2074	N2070-V2072 WeakPolarHBondContact O-CG2 3.32Å; N2070-V2072 PolarHBondContact O-N 3.04Å; V2072-T2074 PolarHBondContact O-N 3.15Å
2073	N	33.3	Very low	34.2	Very low	135.4 Å²	135.4	147.9 Å²	147.9	72%	0.724	75%	0.75	S	S	*	*			trans	-89	83.8	177.9	-95.5	-8.8	0	0	0	113.2	I2071 N2075	I2071-N2073 HydrophobicContact CG2-CB 4.14Å; I2071-N2073 PolarHBondContact O-N 3.34Å; N2073-N2075 PolarHBondContact O-N 3.34Å
2074	T	35	Very low	34.3	Very low	121.6 Å²	121.6	146.7 Å²	146.7	75%	0.746	76%	0.756	S	S	*	*			trans	-110.8	81.1	156.3	54.7	0	0	0	0	108.9	I2071 V2072 N2076	I2071-T2074 HydrophobicContact CG2-CG2 4.48Å; V2072-T2074 PolarHBondContact O-N 3.15Å; T2074-N2076 PolarHBondContact O-N 3.18Å; T2074-N2076 VanDerWaalsContact O-N 3.09Å
2075	N	33.8	Very low	34.5	Very low	142.4 Å²	142.4	152.2 Å²	152.2	76%	0.761	77%	0.768	S	S	*	*			trans	-88.6	100.9	147.3	-78.1	-10.6	0	0	0	106.4	N2073 N2077	N2073-N2075 PolarHBondContact O-N 3.34Å; N2075-N2077 PolarHBondContact O-N 3.19Å
2076	N	36.7	Very low	34.8	Very low	137.6 Å²	137.6	146.8 Å²	146.8	74%	0.736	76%	0.755	S	S	*	*			trans	-151	120.3	144.4	-93	-15.6	0	0	0	109.2	T2074 H2078	T2074-N2076 PolarHBondContact O-N 3.18Å; T2074-N2076 VanDerWaalsContact O-N 3.09Å; N2076-H2078 VanDerWaalsContact C-N 3.34Å; N2076-H2078 PolarHBondContact O-N 3.13Å
2077	N	38.3	Very low	35.3	Very low	157.8 Å²	157.8	144.1 Å²	144.1	84%	0.844	75%	0.747	S	S	*	*			trans	-65.6	75.7	168.2	-69.9	-25.4	0	0	0	112	N2075 R2079	N2075-N2077 PolarHBondContact O-N 3.19Å; N2077-R2079 PolarHBondContact O-N 3.12Å
2078	H	37.8	Very low	35.9	Very low	182.4 Å²	182.4	137.8 Å²	137.8	84%	0.844	73%	0.73	S	S	*	*			trans	-136.4	133.4	156.8	-83.8	-56.7	0	0	0	111.3	N2076	N2076-H2078 VanDerWaalsContact C-N 3.34Å; N2076-H2078 PolarHBondContact O-N 3.13Å
2079	R	35.5	Very low	36.9	Very low	233.4 Å²	233.4	130.3 Å²	130.3	88%	0.881	70%	0.703	S	S	*	*			trans	-54.9	141.8	-179.6	-76.2	173.2	170.6	168.7	-4.3	111.3	N2077 T2081	N2077-R2079 PolarHBondContact O-N 3.12Å; R2079-T2081 PolarHBondContact O-N 3.14Å
2080	P	37	Very low	38.4	Very low	128.2 Å²	128.2	133.8 Å²	133.8	83%	0.832	71%	0.706	S	S	*	*			trans	-76.8	105.4	-178.6	28.1	-27.6	0	0	0	110.5	T2082	P2080-T2082 PolarHBondContact O-N 3.15Å
2081	T	32.9	Very low	39.9	Very low	127.6 Å²	127.6	129.3 Å²	129.3	78%	0.783	68%	0.682	S	S	*	*			trans	-92.4	127.3	155.8	47	0	0	0	0	107.9	R2079 E2083	R2079-T2081 PolarHBondContact O-N 3.14Å; T2081-E2083 PolarHBondContact O-N 3.25Å
2082	T	33	Very low	41.6	Very low	131.8 Å²	131.8	124.9 Å²	124.9	81%	0.809	66%	0.66	S	S	*	*	S	Bend	trans	-47.3	97.5	-178.5	45	0	0	0	0	115.1	P2080	P2080-T2082 PolarHBondContact O-N 3.15Å
2083	E	35.2	Very low	43.7	Very low	156.6 Å²	156.6	120.4 Å²	120.4	73%	0.732	63%	0.632	S	S	*	*			trans	179.8	82.4	149.8	-73.2	-177.1	179.6	0	0	113.2	T2081 Y2085	T2081-E2083 PolarHBondContact O-N 3.25Å; E2083-Y2085 VanDerWaalsContact C-N 3.31Å; E2083-Y2085 HydrophobicContact CB-CD2 4.21Å; E2083-Y2085 HydrophobicContact CB-CE2 3.91Å; E2083-Y2085 PolarHBondContact O-N 3.28Å
2084	T	33.8	Very low	45.9	Very low	135.4 Å²	135.4	116.3 Å²	116.3	83%	0.831	61%	0.614	S	S	*	*			trans	-85.4	64.3	174.6	37.9	0	0	0	0	113	S2086	T2084-S2086 VanDerWaalsContact C-N 3.31Å; T2084-S2086 PolarHBondContact O-N 3.26Å
2085	Y	33.5	Very low	48.2	Very low	208.6 Å²	208.6	112.4 Å²	112.4	82%	0.818	59%	0.59	S	S	*	*			trans	-79	70.4	163.8	-78.3	-85.6	0	0	0	110.2	E2083 S2087 I2088	E2083-Y2085 VanDerWaalsContact C-N 3.31Å; E2083-Y2085 HydrophobicContact CB-CD2 4.21Å; E2083-Y2085 HydrophobicContact CB-CE2 3.91Å; E2083-Y2085 PolarHBondContact O-N 3.28Å; Y2085-S2087 PolarHBondContact O-N 2.8Å; Y2085-I2088 HydrophobicContact CD1-CD1 3.91Å
2086	S	39.5	Very low	50.3	Low	87 Å²	87	113.1 Å²	113.1	61%	0.608	59%	0.589	S	S	*	*			trans	-152.2	51.9	163.6	55.2	0	0	0	0	113.9	T2084 I2088	T2084-S2086 VanDerWaalsContact C-N 3.31Å; T2084-S2086 PolarHBondContact O-N 3.26Å; S2086-I2088 PolarHBondContact O-N 3.13Å
2087	S	43.9	Very low	52.6	Low	68.2 Å²	68.2	109 Å²	109	48%	0.477	57%	0.567	S	S	.	*			trans	-95.6	41.6	166.9	54.8	0	0	0	0	112.1	Y2085 G2089 R2090 Y2161	Y2085-S2087 PolarHBondContact O-N 2.8Å; S2087-G2089 PolarHBondContact O-N 2.96Å; S2087-R2090 PolarHBondContact O-N 2.85Å; S2087-Y2161 VanDerWaalsContact O-CD1 3.25Å; S2087-Y2161 WeakPolarHBondContact O-CD1 3.34Å
2088	I	44.5	Very low	55	Low	102.2 Å²	102.2	101.5 Å²	101.5	52%	0.524	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	115.8	-178.5	-64.6	167.9	0	0	0	108.4	Y2085 S2086 R2090 V2160 Y2161	Y2085-I2088 HydrophobicContact CD1-CD1 3.91Å; S2086-I2088 PolarHBondContact O-N 3.13Å; I2088-R2090 VanDerWaalsContact C-N 3.29Å; I2088-R2090 PolarHBondContact O-N 3.37Å; I2088-V2160 CarbonylContact C-O 3.59Å; I2088-V2160 WeakPolarHBondContact CA-O 3.23Å; I2088-V2160 WeakPolarHBondContact CB-O 3.44Å; I2088-V2160 HydrophobicContact CG1-CB 4.44Å; I2088-V2160 HydrophobicContact CG1-CG1 3.9Å; I2088-V2160 VanDerWaalsContact CG1-O 3.28Å; I2088-V2160 WeakPolarHBondContact CG1-O 3.21Å; I2088-V2160 WeakPolarHBondContact CG2-O 3.36Å; I2088-Y2161 HydrophobicContact CG2-CD1 4.43Å
2089	G	53.2	Low	57.4	Low	20.8 Å²	20.8	95.1 Å²	95.1	21%	0.214	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	39.6	169.1	0	0	0	0	0	117	S2087 I2091 Y2159 V2160 Y2161	S2087-G2089 PolarHBondContact O-N 2.96Å; G2089-I2091 PolarHBondContact O-N 3.04Å; G2089-I2091 VanDerWaalsContact O-N 3.09Å; G2089-Y2159 PolarHBondContact N-O 2.66Å; G2089-Y2159 VanDerWaalsContact N-O 3.11Å; G2089-V2160 VanDerWaalsContact CA-O 3.3Å; G2089-V2160 WeakPolarHBondContact CA-O 3.46Å; G2089-V2160 PolarHBondContact N-O 3.07Å; G2089-Y2161 WeakPolarHBondContact CA-O 3.43Å; G2089-Y2161 PolarHBondContact N-O 3.16Å
2090	R	63.6	Low	59.8	Low	146.4 Å²	146.4	84 Å²	84	55%	0.552	45%	0.453	S	S	*	.			trans	-60.8	121.4	174.3	-97.3	-178.8	176.6	159.9	1	111.1	L2066 S2087 I2088 T2092 I2101 G2102 E2104	L2066-R2090 HydrophobicContact CD2-CG 4.31Å; S2087-R2090 PolarHBondContact O-N 2.85Å; I2088-R2090 VanDerWaalsContact C-N 3.29Å; I2088-R2090 PolarHBondContact O-N 3.37Å; R2090-T2092 HydrophobicContact CG-CG2 4.47Å; R2090-T2092 PolarHBondContact O-N 2.89Å; R2090-I2101 CarbonylContact O-C 3.53Å; R2090-I2101 WeakPolarHBondContact O-CA 3.42Å; R2090-G2102 PolarHBondContact O-N 3.22Å; R2090-G2102 VanDerWaalsContact O-N 3.09Å; R2090-E2104 PolarHBondContact NH1-O 3.31Å
2091	I	64.7	Low	62	Low	64.4 Å²	64.4	78.3 Å²	78.3	33%	0.33	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	123.2	162.5	-59	171.3	0	0	0	106.7	G2089 R2099 L2100 I2101	G2089-I2091 PolarHBondContact O-N 3.04Å; G2089-I2091 VanDerWaalsContact O-N 3.09Å; I2091-R2099 HydrophobicContact CG2-CB 4.45Å; I2091-L2100 WeakPolarHBondContact CA-O 3.4Å; I2091-I2101 HydrophobicContact CB-CG2 4.37Å; I2091-I2101 HydrophobicContact CG1-CD1 4.39Å; I2091-I2101 HydrophobicContact CG1-CG1 4.46Å; I2091-I2101 HydrophobicContact CG1-CG2 3.99Å
2092	T	72.2	Confident	64.1	Low	20 Å²	20	72.5 Å²	72.5	12%	0.123	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-57.3	-173	53.2	0	0	0	0	111	R2090 L2100 Q2105 S2106 E2108	R2090-T2092 HydrophobicContact CG-CG2 4.47Å; R2090-T2092 PolarHBondContact O-N 2.89Å; T2092-L2100 PolarHBondContact N-O 2.99Å; T2092-L2100 VanDerWaalsContact OG1-CB 3.25Å; T2092-L2100 WeakPolarHBondContact OG1-CB 3.29Å; T2092-L2100 PolarHBondContact OG1-O 3.27Å; T2092-Q2105 VanDerWaalsContact CG2-O 3.29Å; T2092-Q2105 WeakPolarHBondContact CG2-O 3.32Å; T2092-S2106 CarbonylContact C-O 3.57Å; T2092-S2106 WeakPolarHBondContact CB-O 3.38Å; T2092-E2108 WeakPolarHBondContact CB-O 3.34Å; T2092-E2108 VanDerWaalsContact CG2-O 3.28Å; T2092-E2108 WeakPolarHBondContact CG2-O 3.3Å; T2092-E2108 PolarHBondContact OG1-O 3.19Å
2093	L	79.2	Confident	66.1	Low	21.2 Å²	21.2	66.5 Å²	66.5	11%	0.111	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.4	172.3	-67	173.7	0	0	0	110.1	L2061 P2069 R2099 L2100 S2106 N2107 F2141 V2143 C2211	L2061-L2093 HydrophobicContact CD2-CD2 4.04Å; P2069-L2093 HydrophobicContact CB-CD2 4.3Å; P2069-L2093 HydrophobicContact CG-CD2 4.3Å; L2093-R2099 CarbonylContact O-C 3.56Å; L2093-R2099 VanDerWaalsContact O-CA 3.29Å; L2093-R2099 WeakPolarHBondContact O-CA 3.35Å; L2093-R2099 WeakPolarHBondContact O-CB 3.28Å; L2093-L2100 HydrophobicContact CB-CB 4.46Å; L2093-L2100 HydrophobicContact CB-CD1 4.23Å; L2093-L2100 HydrophobicContact CB-CG 4.32Å; L2093-L2100 HydrophobicContact CD1-CD1 4.09Å; L2093-L2100 HydrophobicContact CG-CD1 4.5Å; L2093-L2100 PolarHBondContact O-N 3.4Å; L2093-S2106 WeakPolarHBondContact CG-O 3.22Å; L2093-N2107 HydrophobicContact CD1-CB 4.41Å; L2093-F2141 HydrophobicContact CB-CD1 3.87Å; L2093-F2141 HydrophobicContact CB-CD2 4.15Å; L2093-F2141 HydrophobicContact CB-CE1 3.92Å; L2093-F2141 HydrophobicContact CB-CE2 4.17Å; L2093-F2141 HydrophobicContact CB-CG 4.01Å; L2093-F2141 HydrophobicContact CB-CZ 4.08Å; L2093-F2141 HydrophobicContact CD1-CB 4.27Å; L2093-F2141 HydrophobicContact CD1-CD2 4.01Å; L2093-F2141 HydrophobicContact CD1-CE2 4.48Å; L2093-F2141 HydrophobicContact CD1-CG 4.14Å; L2093-V2143 HydrophobicContact CD1-CG2 4.2Å; L2093-C2211 HydrophobicContact CD1-CB 4.32Å
2094	S	81.4	Confident	68	Low	48.4 Å²	48.4	66 Å²	66	34%	0.338	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	136.7	178.9	-177.2	0	0	0	0	111.8	T2064 V2098 R2099	T2064-S2094 WeakPolarHBondContact CG2-OG 3.38Å; S2094-V2098 CarbonylContact C-O 3.5Å; S2094-V2098 WeakPolarHBondContact CA-O 3.38Å; S2094-R2099 WeakPolarHBondContact OG-CB 3.38Å
2095	T	82.4	Confident	69.9	Low	39.8 Å²	39.8	63.4 Å²	63.4	24%	0.244	32%	0.322	C	S	.	.			trans	-112.3	-171.2	161.2	68.2	0	0	0	0	108.8	N2097 V2098 E2140 F2141	T2095-N2097 VanDerWaalsContact C-N 3.28Å; T2095-N2097 PolarHBondContact OG1-N 3.12Å; T2095-V2098 HydrophobicContact CG2-CG1 4.44Å; T2095-V2098 PolarHBondContact N-O 3.03Å; T2095-V2098 WeakPolarHBondContact OG1-CG1 3.32Å; T2095-V2098 PolarHBondContact OG1-N 3.12Å; T2095-V2098 VanDerWaalsContact OG1-N 3.08Å; T2095-V2098 PolarHBondContact OG1-O 3.03Å; T2095-E2140 HydrophobicContact CG2-CB 4.4Å; T2095-E2140 HydrophobicContact CG2-CG 4.15Å; T2095-E2140 PolarHBondContact OG1-OE1 3Å; T2095-F2141 HydrophobicContact CG2-CD1 3.58Å; T2095-F2141 HydrophobicContact CG2-CE1 3.77Å
2096	E	78.9	Confident	72	Confident	158 Å²	158	57.3 Å²	57.3	74%	0.738	31%	0.31	S	S	*	.	S	Bend	trans	-67.4	-29	172.3	-64.1	178.4	176	0	0	112.4	F2114	E2096-F2114 WeakPolarHBondContact O-CB 3.39Å
2097	N	83.8	Confident	73.9	Confident	50.6 Å²	50.6	53.8 Å²	53.8	27%	0.271	28%	0.284	S	S	.	.	S	Bend	trans	-106.8	-30.7	-171.9	-62	-30.3	0	0	0	113.7	Y1709 T2095 F2113 F2114 Y2116 E2140	Y1709-N2097 PolarHBondContact OH-ND2 3.45Å; T2095-N2097 VanDerWaalsContact C-N 3.28Å; T2095-N2097 PolarHBondContact OG1-N 3.12Å; N2097-F2113 CarbonylContact O-C 3.48Å; N2097-F2113 WeakPolarHBondContact O-CA 3.37Å; N2097-F2114 PolarHBondContact O-N 3.1Å; N2097-Y2116 VanDerWaalsContact OD1-CE2 3.29Å; N2097-Y2116 WeakPolarHBondContact OD1-CE2 3.3Å; N2097-Y2116 VanDerWaalsContact OD1-CZ 3.31Å; N2097-Y2116 PolarHBondContact OD1-OH 3.07Å; N2097-E2140 PolarHBondContact ND2-OE1 2.83Å; N2097-E2140 VanDerWaalsContact ND2-OE1 3.13Å
2098	V	88.9	Confident	75.9	Confident	1 Å²	1	51 Å²	51	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.7	-171.4	152.8	0	0	0	0	110.5	S2094 T2095 V2111 Q2112 F2113 V2137 E2140 F2141	S2094-V2098 CarbonylContact C-O 3.5Å; S2094-V2098 WeakPolarHBondContact CA-O 3.38Å; T2095-V2098 HydrophobicContact CG2-CG1 4.44Å; T2095-V2098 PolarHBondContact N-O 3.03Å; T2095-V2098 WeakPolarHBondContact OG1-CG1 3.32Å; T2095-V2098 PolarHBondContact OG1-N 3.12Å; T2095-V2098 VanDerWaalsContact OG1-N 3.08Å; T2095-V2098 PolarHBondContact OG1-O 3.03Å; V2098-V2111 HydrophobicContact CG1-CG1 4.02Å; V2098-V2111 HydrophobicContact CG2-CG1 3.95Å; V2098-Q2112 CarbonylContact C-O 3.48Å; V2098-Q2112 VanDerWaalsContact CA-O 3.3Å; V2098-Q2112 WeakPolarHBondContact CA-O 3.39Å; V2098-F2113 HydrophobicContact CB-CD1 4.16Å; V2098-F2113 HydrophobicContact CB-CE1 4.16Å; V2098-F2113 HydrophobicContact CG1-CD1 4.03Å; V2098-F2113 HydrophobicContact CG1-CE1 3.74Å; V2098-F2113 HydrophobicContact CG2-CD1 3.77Å; V2098-F2113 HydrophobicContact CG2-CE1 3.62Å; V2098-F2113 VanDerWaalsContact CG2-CE1 3.48Å; V2098-F2113 HydrophobicContact CG2-CZ 4.41Å; V2098-V2137 HydrophobicContact CG1-CG1 4.1Å; V2098-V2137 HydrophobicContact CG2-CG1 3.84Å; V2098-E2140 HydrophobicContact CG1-CB 4.39Å; V2098-E2140 WeakPolarHBondContact CG1-OE2 3.49Å; V2098-E2140 WeakPolarHBondContact CG2-OE2 3.33Å; V2098-F2141 HydrophobicContact CB-CZ 4.25Å; V2098-F2141 HydrophobicContact CG1-CE1 3.88Å; V2098-F2141 HydrophobicContact CG1-CE2 4.4Å; V2098-F2141 HydrophobicContact CG1-CZ 3.94Å; V2098-F2141 HydrophobicContact CG2-CZ 4.03Å; V2098-F2141 WeakPolarHBondContact O-CE1 3.39Å
2099	R	88.3	Confident	77.8	Confident	47.8 Å²	47.8	46.1 Å²	46.1	18%	0.18	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.2	172.2	73	-177	-174.4	-178.8	0.8	112.6	I2091 L2093 S2094 I2101 Q2112 W2121	I2091-R2099 HydrophobicContact CG2-CB 4.45Å; L2093-R2099 CarbonylContact O-C 3.56Å; L2093-R2099 VanDerWaalsContact O-CA 3.29Å; L2093-R2099 WeakPolarHBondContact O-CA 3.35Å; L2093-R2099 WeakPolarHBondContact O-CB 3.28Å; S2094-R2099 WeakPolarHBondContact OG-CB 3.38Å; R2099-I2101 HydrophobicContact CG-CG2 4.3Å; R2099-Q2112 HydrophobicContact CG-CB 3.92Å; R2099-Q2112 VanDerWaalsContact CZ-OE1 3.26Å; R2099-Q2112 PolarHBondContact N-O 3.22Å; R2099-Q2112 PolarHBondContact O-N 3.08Å; R2099-W2121 HydrophobicContact CB-CE3 4.49Å; R2099-W2121 HydrophobicContact CB-CH2 4.07Å; R2099-W2121 HydrophobicContact CB-CZ3 3.95Å; R2099-W2121 HydrophobicContact CG-CD2 4.17Å; R2099-W2121 HydrophobicContact CG-CE3 3.67Å; R2099-W2121 HydrophobicContact CG-CH2 4.02Å; R2099-W2121 HydrophobicContact CG-CZ2 4.48Å; R2099-W2121 HydrophobicContact CG-CZ3 3.59Å; R2099-W2121 VanDerWaalsContact CZ-CD1 3.48Å; R2099-W2121 VanDerWaalsContact CZ-CG 3.43Å
2100	L	86.6	Confident	79.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.7	173.7	-58.2	-172.9	0	0	0	109.8	I2091 T2092 L2093 F2110 V2111 F2141 L2209	I2091-L2100 WeakPolarHBondContact CA-O 3.4Å; T2092-L2100 PolarHBondContact N-O 2.99Å; T2092-L2100 VanDerWaalsContact OG1-CB 3.25Å; T2092-L2100 WeakPolarHBondContact OG1-CB 3.29Å; T2092-L2100 PolarHBondContact OG1-O 3.27Å; L2093-L2100 HydrophobicContact CB-CB 4.46Å; L2093-L2100 HydrophobicContact CB-CD1 4.23Å; L2093-L2100 HydrophobicContact CB-CG 4.32Å; L2093-L2100 HydrophobicContact CD1-CD1 4.09Å; L2093-L2100 HydrophobicContact CG-CD1 4.5Å; L2093-L2100 PolarHBondContact O-N 3.4Å; L2100-F2110 WeakPolarHBondContact CA-O 3.34Å; L2100-V2111 HydrophobicContact CD2-CB 4.35Å; L2100-V2111 HydrophobicContact CD2-CG2 3.75Å; L2100-F2141 HydrophobicContact CD1-CE2 4.01Å; L2100-F2141 HydrophobicContact CD2-CE2 4.21Å; L2100-F2141 HydrophobicContact CD2-CZ 4.44Å; L2100-F2141 HydrophobicContact CG-CE2 3.77Å; L2100-F2141 HydrophobicContact CG-CZ 4.01Å; L2100-L2209 HydrophobicContact CD2-CB 4.09Å; L2100-L2209 HydrophobicContact CD2-CD2 4.2Å; L2100-L2209 HydrophobicContact CD2-CG 4.46Å
2101	I	83.3	Confident	80.8	Confident	7.6 Å²	7.6	38.3 Å²	38.3	4%	0.039	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.2	-178.6	71.3	162.4	0	0	0	112.3	R2090 I2091 R2099 G2103 G2109 F2110 Q2112 Y2156 V2160 F2163	R2090-I2101 CarbonylContact O-C 3.53Å; R2090-I2101 WeakPolarHBondContact O-CA 3.42Å; I2091-I2101 HydrophobicContact CB-CG2 4.37Å; I2091-I2101 HydrophobicContact CG1-CD1 4.39Å; I2091-I2101 HydrophobicContact CG1-CG1 4.46Å; I2091-I2101 HydrophobicContact CG1-CG2 3.99Å; R2099-I2101 HydrophobicContact CG-CG2 4.3Å; I2101-G2103 VanDerWaalsContact C-N 3.32Å; I2101-G2103 PolarHBondContact O-N 3.13Å; I2101-G2109 CarbonylContact O-C 3.57Å; I2101-G2109 VanDerWaalsContact O-CA 3.28Å; I2101-G2109 WeakPolarHBondContact O-CA 3.43Å; I2101-F2110 HydrophobicContact CD1-CB 4.22Å; I2101-F2110 HydrophobicContact CG1-CB 4.11Å; I2101-F2110 WeakPolarHBondContact CG1-O 3.35Å; I2101-F2110 HydrophobicContact CG2-CB 4.15Å; I2101-F2110 PolarHBondContact N-O 3.03Å; I2101-F2110 VanDerWaalsContact N-O 3.09Å; I2101-F2110 WeakPolarHBondContact O-CD2 3.36Å; I2101-F2110 PolarHBondContact O-N 3.13Å; I2101-Q2112 VanDerWaalsContact CD1-CD 3.45Å; I2101-Q2112 HydrophobicContact CD1-CG 4.08Å; I2101-Q2112 VanDerWaalsContact CD1-NE2 3.3Å; I2101-Q2112 HydrophobicContact CG1-CG 4.26Å; I2101-Q2112 HydrophobicContact CG2-CG 4.34Å; I2101-Y2156 HydrophobicContact CD1-CE2 3.9Å; I2101-Y2156 WeakPolarHBondContact CD1-OH 3.36Å; I2101-Y2156 HydrophobicContact CG1-CE2 4.18Å; I2101-Y2156 HydrophobicContact CG2-CE2 4.14Å; I2101-V2160 HydrophobicContact CD1-CG1 4.04Å; I2101-V2160 HydrophobicContact CD1-CG2 4.08Å; I2101-V2160 HydrophobicContact CG1-CG1 4.47Å; I2101-V2160 HydrophobicContact CG1-CG2 4.2Å; I2101-V2160 HydrophobicContact CG2-CG2 3.99Å; I2101-F2163 HydrophobicContact CB-CE2 4.49Å; I2101-F2163 HydrophobicContact CB-CZ 3.82Å; I2101-F2163 HydrophobicContact CD1-CE1 3.57Å; I2101-F2163 HydrophobicContact CD1-CE2 3.86Å; I2101-F2163 HydrophobicContact CD1-CZ 3.74Å; I2101-F2163 HydrophobicContact CG1-CZ 4.02Å; I2101-F2163 HydrophobicContact CG2-CZ 4.24Å
2102	G	76.5	Confident	82	Confident	5.8 Å²	5.8	35.8 Å²	35.8	6%	0.06	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.6	25.9	171.6	0	0	0	0	0	115	R2090 Y2161	R2090-G2102 PolarHBondContact O-N 3.22Å; R2090-G2102 VanDerWaalsContact O-N 3.09Å; G2102-Y2161 VanDerWaalsContact CA-CZ 3.46Å; G2102-Y2161 WeakPolarHBondContact O-CE2 3.42Å; G2102-Y2161 VanDerWaalsContact O-CZ 3.29Å; G2102-Y2161 PolarHBondContact O-OH 2.87Å
2103	G	75.6	Confident	82.9	Confident	7.2 Å²	7.2	35.1 Å²	35.1	7%	0.074	19%	0.185	C	C	.	.			trans	-81.8	150	166.7	0	0	0	0	0	112.3	I2101 Q2105 E2108	I2101-G2103 VanDerWaalsContact C-N 3.32Å; I2101-G2103 PolarHBondContact O-N 3.13Å; G2103-Q2105 VanDerWaalsContact C-N 3.32Å; G2103-E2108 VanDerWaalsContact CA-CG 3.48Å; G2103-E2108 VanDerWaalsContact CA-O 3.27Å; G2103-E2108 WeakPolarHBondContact CA-O 3.42Å; G2103-E2108 PolarHBondContact N-O 3.06Å
2104	E	73.8	Confident	83.2	Confident	145.2 Å²	145.2	36.3 Å²	36.3	68%	0.679	19%	0.19	S	C	*	.	S	Bend	trans	-71.2	-40.2	169.1	-103.7	-174	169.2	0	0	110	R2090 E2108 Y2161	R2090-E2104 PolarHBondContact NH1-O 3.31Å; E2104-E2108 WeakPolarHBondContact CB-OE1 3.22Å; E2104-E2108 PolarHBondContact N-OE1 2.84Å; E2104-E2108 VanDerWaalsContact N-OE1 3.13Å; E2104-Y2161 WeakPolarHBondContact CG-OH 3.47Å; E2104-Y2161 PolarHBondContact N-OH 3.14Å
2105	Q	75.2	Confident	83.4	Confident	81.8 Å²	81.8	35.4 Å²	35.4	38%	0.382	18%	0.181	S	C	.	.	S	Bend	trans	-92.9	156.7	176.8	-52.6	-170.7	-10.9	0	0	112.5	T2092 G2103 N2107 E2108 R2210	T2092-Q2105 VanDerWaalsContact CG2-O 3.29Å; T2092-Q2105 WeakPolarHBondContact CG2-O 3.32Å; G2103-Q2105 VanDerWaalsContact C-N 3.32Å; Q2105-N2107 VanDerWaalsContact CB-OD1 3.29Å; Q2105-N2107 WeakPolarHBondContact CB-OD1 3.41Å; Q2105-N2107 PolarHBondContact O-N 3.13Å; Q2105-N2107 PolarHBondContact OE1-OD1 3.09Å; Q2105-E2108 HydrophobicContact CB-CG 4.03Å; Q2105-E2108 WeakPolarHBondContact CB-OE1 3.26Å; Q2105-E2108 WeakPolarHBondContact CG-OE1 3.19Å; Q2105-E2108 PolarHBondContact N-OE1 2.95Å; Q2105-E2108 PolarHBondContact O-N 3.2Å; Q2105-R2210 VanDerWaalsContact CD-NH2 3.28Å; Q2105-R2210 VanDerWaalsContact NE2-NH2 3.15Å; Q2105-R2210 VanDerWaalsContact OE1-CZ 3.23Å
2106	S	76	Confident	83.3	Confident	79.6 Å²	79.6	38.6 Å²	38.6	56%	0.557	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	0.6	-178.3	61.3	0	0	0	0	114.9	T2092 L2093	T2092-S2106 CarbonylContact C-O 3.57Å; T2092-S2106 WeakPolarHBondContact CB-O 3.38Å; L2093-S2106 WeakPolarHBondContact CG-O 3.22Å
2107	N	80.5	Confident	83.3	Confident	13.6 Å²	13.6	35.7 Å²	35.7	7%	0.073	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.2	16.9	-170.6	66.4	-57.4	0	0	0	112.5	L2093 Q2105 C2211 V2212 P2213	L2093-N2107 HydrophobicContact CD1-CB 4.41Å; Q2105-N2107 VanDerWaalsContact CB-OD1 3.29Å; Q2105-N2107 WeakPolarHBondContact CB-OD1 3.41Å; Q2105-N2107 PolarHBondContact O-N 3.13Å; Q2105-N2107 PolarHBondContact OE1-OD1 3.09Å; N2107-C2211 VanDerWaalsContact CB-O 3.25Å; N2107-C2211 WeakPolarHBondContact CB-O 3.27Å; N2107-C2211 PolarHBondContact ND2-O 3.1Å; N2107-C2211 PolarHBondContact O-N 2.94Å; N2107-V2212 WeakPolarHBondContact ND2-CA 3.37Å; N2107-P2213 VanDerWaalsContact CB-CD 3.48Å; N2107-P2213 HydrophobicContact CB-CG 4.02Å; N2107-P2213 WeakPolarHBondContact ND2-CD 3.42Å
2108	E	84.6	Confident	83.2	Confident	9.6 Å²	9.6	36.1 Å²	36.1	5%	0.045	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	162.2	175.7	70.3	-169.7	-178	0	0	111.4	T2092 G2103 E2104 Q2105 F2208 L2209 R2210	T2092-E2108 WeakPolarHBondContact CB-O 3.34Å; T2092-E2108 VanDerWaalsContact CG2-O 3.28Å; T2092-E2108 WeakPolarHBondContact CG2-O 3.3Å; T2092-E2108 PolarHBondContact OG1-O 3.19Å; G2103-E2108 VanDerWaalsContact CA-CG 3.48Å; G2103-E2108 VanDerWaalsContact CA-O 3.27Å; G2103-E2108 WeakPolarHBondContact CA-O 3.42Å; G2103-E2108 PolarHBondContact N-O 3.06Å; E2104-E2108 WeakPolarHBondContact CB-OE1 3.22Å; E2104-E2108 PolarHBondContact N-OE1 2.84Å; E2104-E2108 VanDerWaalsContact N-OE1 3.13Å; Q2105-E2108 HydrophobicContact CB-CG 4.03Å; Q2105-E2108 WeakPolarHBondContact CB-OE1 3.26Å; Q2105-E2108 WeakPolarHBondContact CG-OE1 3.19Å; Q2105-E2108 PolarHBondContact N-OE1 2.95Å; Q2105-E2108 PolarHBondContact O-N 3.2Å; E2108-F2208 HydrophobicContact CB-CE1 3.94Å; E2108-F2208 HydrophobicContact CB-CZ 3.98Å; E2108-F2208 HydrophobicContact CG-CE1 4.16Å; E2108-F2208 HydrophobicContact CG-CZ 3.81Å; E2108-L2209 CarbonylContact C-O 3.53Å; E2108-L2209 WeakPolarHBondContact CA-O 3.28Å; E2108-L2209 WeakPolarHBondContact CB-O 3.41Å; E2108-R2210 HydrophobicContact CB-CB 3.71Å; E2108-R2210 HydrophobicContact CB-CG 3.87Å; E2108-R2210 VanDerWaalsContact OE2-CD 3.22Å; E2108-R2210 WeakPolarHBondContact OE2-CD 3.37Å; E2108-R2210 IonicContact OE2-CZ 3.16Å; E2108-R2210 IonicContact OE2-NE 3.25Å; E2108-R2210 PolarHBondContact OE2-NE 3.08Å; E2108-R2210 IonicContact OE2-NH1 3.21Å; E2108-R2210 PolarHBondContact OE2-NH1 3.24Å
2109	G	86.2	Confident	82.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.8	172.1	176.5	0	0	0	0	0	113.1	I2101 F2208 L2209	I2101-G2109 CarbonylContact O-C 3.57Å; I2101-G2109 VanDerWaalsContact O-CA 3.28Å; I2101-G2109 WeakPolarHBondContact O-CA 3.43Å; G2109-F2208 VanDerWaalsContact C-CE2 3.5Å; G2109-F2208 VanDerWaalsContact CA-CE2 3.48Å; G2109-L2209 PolarHBondContact N-O 3.14Å; G2109-L2209 PolarHBondContact O-N 2.9Å
2110	F	88.7	Confident	82.7	Confident	1.8 Å²	1.8	46.9 Å²	46.9	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	134.2	169.6	-64.4	-83.4	0	0	0	110.4	L2100 I2101 I2123 L2155 Y2156 Y2159 V2160 Y2161 F2206 A2207 F2208 L2597	L2100-F2110 WeakPolarHBondContact CA-O 3.34Å; I2101-F2110 HydrophobicContact CD1-CB 4.22Å; I2101-F2110 HydrophobicContact CG1-CB 4.11Å; I2101-F2110 WeakPolarHBondContact CG1-O 3.35Å; I2101-F2110 HydrophobicContact CG2-CB 4.15Å; I2101-F2110 PolarHBondContact N-O 3.03Å; I2101-F2110 VanDerWaalsContact N-O 3.09Å; I2101-F2110 WeakPolarHBondContact O-CD2 3.36Å; I2101-F2110 PolarHBondContact O-N 3.13Å; F2110-I2123 HydrophobicContact CB-CD1 4.43Å; F2110-L2155 HydrophobicContact CB-CD1 4.32Å; F2110-L2155 HydrophobicContact CD1-CD1 3.72Å; F2110-L2155 HydrophobicContact CD1-CD2 3.81Å; F2110-L2155 HydrophobicContact CD2-CD1 3.67Å; F2110-L2155 HydrophobicContact CD2-CD2 3.82Å; F2110-L2155 HydrophobicContact CD2-CG 4.03Å; F2110-L2155 HydrophobicContact CE1-CD1 3.86Å; F2110-L2155 HydrophobicContact CE1-CD2 3.7Å; F2110-L2155 HydrophobicContact CE1-CG 4.33Å; F2110-L2155 HydrophobicContact CE2-CD1 3.82Å; F2110-L2155 HydrophobicContact CE2-CD2 3.73Å; F2110-L2155 HydrophobicContact CE2-CG 3.74Å; F2110-L2155 HydrophobicContact CG-CD1 3.62Å; F2110-L2155 HydrophobicContact CG-CD2 3.87Å; F2110-L2155 HydrophobicContact CG-CG 4.45Å; F2110-L2155 HydrophobicContact CZ-CB 4.39Å; F2110-L2155 HydrophobicContact CZ-CD1 3.91Å; F2110-L2155 HydrophobicContact CZ-CD2 3.67Å; F2110-L2155 HydrophobicContact CZ-CG 3.88Å; F2110-Y2156 HydrophobicContact CB-CD2 3.77Å; F2110-Y2156 HydrophobicContact CB-CE2 4.08Å; F2110-Y2156 AromaticContact CD1-CD2 3.98Å; F2110-Y2156 HydrophobicContact CD1-CD2 4.08Å; F2110-Y2156 AromaticContact CD2-CD2 3.83Å; F2110-Y2156 HydrophobicContact CD2-CD2 3.9Å; F2110-Y2156 HydrophobicContact CE2-CD2 4.34Å; F2110-Y2156 AromaticContact CG-CD2 3.58Å; F2110-Y2156 HydrophobicContact CG-CD2 3.73Å; F2110-Y2156 HydrophobicContact CG-CE2 4.35Å; F2110-Y2159 HydrophobicContact CE2-CD2 4.33Å; F2110-Y2159 HydrophobicContact CE2-CG 4.37Å; F2110-V2160 HydrophobicContact CD2-CG2 4.42Å; F2110-Y2161 AromaticContact CE2-CE2 3.9Å; F2110-Y2161 HydrophobicContact CE2-CE2 3.9Å; F2110-F2206 HydrophobicContact CD1-CB 3.98Å; F2110-F2206 HydrophobicContact CE1-CB 4.18Å; F2110-A2207 WeakPolarHBondContact CA-O 3.33Å; F2110-F2208 HydrophobicContact CD1-CB 4.23Å; F2110-F2208 AromaticContact CD1-CD2 3.99Å; F2110-F2208 HydrophobicContact CD1-CD2 4.01Å; F2110-F2208 AromaticContact CD2-CD2 3.84Å; F2110-F2208 HydrophobicContact CD2-CD2 3.84Å; F2110-F2208 HydrophobicContact CD2-CE2 4.2Å; F2110-F2208 HydrophobicContact CE1-CB 4.24Å; F2110-F2208 AromaticContact CE1-CD2 3.94Å; F2110-F2208 HydrophobicContact CE1-CD2 4.04Å; F2110-F2208 AromaticContact CE2-CD2 3.84Å; F2110-F2208 HydrophobicContact CE2-CD2 3.84Å; F2110-F2208 HydrophobicContact CE2-CE2 4.15Å; F2110-F2208 AromaticContact CG-CD2 3.92Å; F2110-F2208 HydrophobicContact CG-CD2 3.92Å; F2110-F2208 AromaticContact CZ-CD2 3.91Å; F2110-F2208 HydrophobicContact CZ-CD2 3.95Å; F2110-L2597 HydrophobicContact CE1-CD1 4.26Å; F2110-L2597 HydrophobicContact CE2-CD1 4.19Å; F2110-L2597 HydrophobicContact CE2-CD2 4.26Å; F2110-L2597 HydrophobicContact CZ-CD1 3.76Å; F2110-L2597 HydrophobicContact CZ-CD2 4.34Å
2111	V	90.4	Very high	82.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.7	-176.5	-175.6	0	0	0	0	110.1	V2098 L2100 F2113 A2124 F2129 A2207 L2209	V2098-V2111 HydrophobicContact CG1-CG1 4.02Å; V2098-V2111 HydrophobicContact CG2-CG1 3.95Å; L2100-V2111 HydrophobicContact CD2-CB 4.35Å; L2100-V2111 HydrophobicContact CD2-CG2 3.75Å; V2111-F2113 HydrophobicContact CG1-CD2 4.46Å; V2111-F2113 HydrophobicContact CG1-CE1 4.08Å; V2111-F2113 HydrophobicContact CG1-CE2 3.89Å; V2111-F2113 HydrophobicContact CG1-CZ 3.65Å; V2111-A2124 HydrophobicContact CB-CB 3.92Å; V2111-A2124 HydrophobicContact CG1-CB 4.16Å; V2111-A2124 WeakPolarHBondContact O-CB 3.4Å; V2111-A2124 PolarHBondContact O-N 2.91Å; V2111-F2129 HydrophobicContact CB-CZ 4.44Å; V2111-F2129 HydrophobicContact CG1-CE2 4.34Å; V2111-F2129 HydrophobicContact CG1-CZ 4.25Å; V2111-F2129 HydrophobicContact CG2-CE1 4.3Å; V2111-F2129 HydrophobicContact CG2-CZ 4.05Å; V2111-A2207 PolarHBondContact N-O 3.26Å; V2111-A2207 VanDerWaalsContact N-O 3.08Å; V2111-L2209 HydrophobicContact CG2-CB 3.55Å; V2111-L2209 VanDerWaalsContact CG2-CB 3.46Å; V2111-L2209 HydrophobicContact CG2-CD2 4.22Å; V2111-L2209 HydrophobicContact CG2-CG 4.46Å
2112	Q	89.5	Confident	82.8	Confident	13.2 Å²	13.2	50.9 Å²	50.9	6%	0.062	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.9	170.3	-65.4	-170.9	-28.5	0	0	111.2	V2098 R2099 I2101 W2121 Y2122 I2123 Y2156	V2098-Q2112 CarbonylContact C-O 3.48Å; V2098-Q2112 VanDerWaalsContact CA-O 3.3Å; V2098-Q2112 WeakPolarHBondContact CA-O 3.39Å; R2099-Q2112 HydrophobicContact CG-CB 3.92Å; R2099-Q2112 VanDerWaalsContact CZ-OE1 3.26Å; R2099-Q2112 PolarHBondContact N-O 3.22Å; R2099-Q2112 PolarHBondContact O-N 3.08Å; I2101-Q2112 VanDerWaalsContact CD1-CD 3.45Å; I2101-Q2112 HydrophobicContact CD1-CG 4.08Å; I2101-Q2112 VanDerWaalsContact CD1-NE2 3.3Å; I2101-Q2112 HydrophobicContact CG1-CG 4.26Å; I2101-Q2112 HydrophobicContact CG2-CG 4.34Å; Q2112-W2121 HydrophobicContact CB-CB 4.42Å; Q2112-W2121 HydrophobicContact CB-CE3 4.01Å; Q2112-W2121 WeakPolarHBondContact O-CZ3 3.49Å; Q2112-Y2122 CarbonylContact C-O 3.57Å; Q2112-Y2122 VanDerWaalsContact CA-O 3.24Å; Q2112-Y2122 WeakPolarHBondContact CA-O 3.45Å; Q2112-I2123 HydrophobicContact CG-CB 4.42Å; Q2112-I2123 HydrophobicContact CG-CG1 4.44Å; Q2112-Y2156 PolarHBondContact NE2-OH 2.9Å; Q2112-Y2156 VanDerWaalsContact NE2-OH 3.16Å
2113	F	90.3	Very high	83.4	Confident	5.8 Å²	5.8	50.9 Å²	50.9	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143	176.9	-65	-64	0	0	0	110.7	N2097 V2098 V2111 W2121 Y2122 A2124 F2129 W2173 Y2177 L2186	N2097-F2113 CarbonylContact O-C 3.48Å; N2097-F2113 WeakPolarHBondContact O-CA 3.37Å; V2098-F2113 HydrophobicContact CB-CD1 4.16Å; V2098-F2113 HydrophobicContact CB-CE1 4.16Å; V2098-F2113 HydrophobicContact CG1-CD1 4.03Å; V2098-F2113 HydrophobicContact CG1-CE1 3.74Å; V2098-F2113 HydrophobicContact CG2-CD1 3.77Å; V2098-F2113 HydrophobicContact CG2-CE1 3.62Å; V2098-F2113 VanDerWaalsContact CG2-CE1 3.48Å; V2098-F2113 HydrophobicContact CG2-CZ 4.41Å; V2111-F2113 HydrophobicContact CG1-CD2 4.46Å; V2111-F2113 HydrophobicContact CG1-CE1 4.08Å; V2111-F2113 HydrophobicContact CG1-CE2 3.89Å; V2111-F2113 HydrophobicContact CG1-CZ 3.65Å; F2113-W2121 VanDerWaalsContact C-CE3 3.47Å; F2113-W2121 CarbonylContact O-C 3.55Å; F2113-W2121 WeakPolarHBondContact O-CA 3.28Å; F2113-Y2122 PolarHBondContact N-O 3.1Å; F2113-Y2122 PolarHBondContact O-N 3.03Å; F2113-A2124 HydrophobicContact CD2-CB 4.24Å; F2113-A2124 HydrophobicContact CE2-CB 3.84Å; F2113-F2129 HydrophobicContact CE2-CE2 4.3Å; F2113-F2129 AromaticContact CZ-CE2 3.85Å; F2113-F2129 HydrophobicContact CZ-CE2 4.05Å; F2113-W2173 HydrophobicContact CB-CD2 3.49Å; F2113-W2173 VanDerWaalsContact CB-CD2 3.47Å; F2113-W2173 HydrophobicContact CB-CE3 3.41Å; F2113-W2173 VanDerWaalsContact CB-CE3 3.45Å; F2113-W2173 HydrophobicContact CB-CG 4.07Å; F2113-W2173 HydrophobicContact CB-CH2 4.04Å; F2113-W2173 HydrophobicContact CB-CZ2 4.16Å; F2113-W2173 HydrophobicContact CB-CZ3 3.67Å; F2113-W2173 HydrophobicContact CD2-CB 3.88Å; F2113-W2173 AromaticContact CD2-CD1 3.43Å; F2113-W2173 VanDerWaalsContact CD2-CD1 3.45Å; F2113-W2173 AromaticContact CD2-CD2 3.73Å; F2113-W2173 HydrophobicContact CD2-CD2 3.73Å; F2113-W2173 AromaticContact CD2-CE2 3.89Å; F2113-W2173 HydrophobicContact CD2-CE3 4.45Å; F2113-W2173 AromaticContact CD2-CG 3.4Å; F2113-W2173 HydrophobicContact CD2-CG 3.4Å; F2113-W2173 VanDerWaalsContact CD2-CG 3.44Å; F2113-W2173 AromaticContact CD2-NE1 3.78Å; F2113-W2173 AromaticContact CE2-CD1 3.85Å; F2113-W2173 HydrophobicContact CE2-CG 4.22Å; F2113-W2173 AromaticContact CG-CD2 3.85Å; F2113-W2173 HydrophobicContact CG-CD2 3.89Å; F2113-W2173 AromaticContact CG-CE2 3.88Å; F2113-W2173 HydrophobicContact CG-CE3 4.31Å; F2113-W2173 HydrophobicContact CG-CG 4.07Å; F2113-W2173 HydrophobicContact CG-CZ2 4.38Å; F2113-Y2177 HydrophobicContact CE1-CE2 4.47Å; F2113-Y2177 HydrophobicContact CE2-CE2 4.41Å; F2113-Y2177 HydrophobicContact CZ-CE2 4.31Å; F2113-L2186 HydrophobicContact CD1-CD1 4.22Å; F2113-L2186 HydrophobicContact CD1-CD2 4.07Å; F2113-L2186 HydrophobicContact CE1-CD1 3.22Å; F2113-L2186 HydrophobicContact CE1-CD2 3.3Å; F2113-L2186 HydrophobicContact CZ-CD1 3.64Å; F2113-L2186 HydrophobicContact CZ-CD2 3.74Å
2114	F	87	Confident	84	Confident	45.4 Å²	45.4	50.7 Å²	50.7	20%	0.199	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.2	177.9	-170.1	-109.8	0	0	0	110.5	E2096 N2097 Y2116 R2119 W2121	E2096-F2114 WeakPolarHBondContact O-CB 3.39Å; N2097-F2114 PolarHBondContact O-N 3.1Å; F2114-Y2116 AromaticContact CD1-CD1 3.9Å; F2114-Y2116 HydrophobicContact CD1-CD1 3.92Å; F2114-Y2116 HydrophobicContact CD1-CD2 4.32Å; F2114-Y2116 AromaticContact CD1-CE1 3.9Å; F2114-Y2116 HydrophobicContact CD1-CE1 3.9Å; F2114-Y2116 HydrophobicContact CD1-CE2 4.26Å; F2114-Y2116 HydrophobicContact CD1-CG 4.18Å; F2114-Y2116 AromaticContact CD1-CZ 4Å; F2114-Y2116 AromaticContact CE1-CD1 3.79Å; F2114-Y2116 HydrophobicContact CE1-CD1 3.79Å; F2114-Y2116 AromaticContact CE1-CE1 3.9Å; F2114-Y2116 HydrophobicContact CE1-CE1 3.99Å; F2114-Y2116 HydrophobicContact CE1-CG 4.31Å; F2114-Y2116 PolarHBondContact O-N 2.94Å; F2114-R2119 WeakPolarHBondContact CE2-O 3.39Å; F2114-R2119 HydrophobicContact CZ-CB 4.37Å; F2114-W2121 HydrophobicContact CB-CD2 4.19Å; F2114-W2121 HydrophobicContact CB-CE3 3.95Å; F2114-W2121 HydrophobicContact CB-CH2 3.85Å; F2114-W2121 HydrophobicContact CB-CZ2 4.08Å; F2114-W2121 HydrophobicContact CB-CZ3 3.77Å; F2114-W2121 AromaticContact CD2-CD1 3.92Å; F2114-W2121 AromaticContact CD2-CD2 3.87Å; F2114-W2121 HydrophobicContact CD2-CD2 3.87Å; F2114-W2121 AromaticContact CD2-CE2 3.56Å; F2114-W2121 HydrophobicContact CD2-CE3 4.46Å; F2114-W2121 HydrophobicContact CD2-CG 4.12Å; F2114-W2121 HydrophobicContact CD2-CH2 4.5Å; F2114-W2121 AromaticContact CD2-CZ2 3.96Å; F2114-W2121 HydrophobicContact CD2-CZ2 3.97Å; F2114-W2121 AromaticContact CD2-NE1 3.58Å; F2114-W2121 AromaticContact CE2-NE1 3.96Å; F2114-W2121 HydrophobicContact CG-CH2 4.49Å; F2114-W2121 HydrophobicContact CG-CZ2 4.31Å
2115	N	84.3	Confident	84.7	Confident	30.6 Å²	30.6	43.8 Å²	43.8	16%	0.164	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	106.3	173.8	-173.8	-26.3	0	0	0	109.7	S2117 T2118 R2119 N2120 Y2122 W2173	N2115-S2117 VanDerWaalsContact C-N 3.3Å; N2115-S2117 PolarHBondContact O-N 3.17Å; N2115-S2117 WeakPolarHBondContact OD1-CB 3.32Å; N2115-S2117 PolarHBondContact OD1-N 3.11Å; N2115-S2117 PolarHBondContact OD1-OG 2.9Å; N2115-T2118 WeakPolarHBondContact CB-OG1 3.38Å; N2115-T2118 VanDerWaalsContact CG-OG1 3.28Å; N2115-T2118 PolarHBondContact ND2-OG1 2.94Å; N2115-T2118 PolarHBondContact O-N 3.17Å; N2115-T2118 PolarHBondContact OD1-N 3.05Å; N2115-R2119 VanDerWaalsContact O-CA 3.26Å; N2115-R2119 WeakPolarHBondContact O-CA 3.38Å; N2115-R2119 PolarHBondContact O-N 2.95Å; N2115-N2120 WeakPolarHBondContact CB-O 3.34Å; N2115-N2120 PolarHBondContact N-O 3.09Å; N2115-N2120 PolarHBondContact O-N 3.13Å; N2115-Y2122 HydrophobicContact CB-CD1 4.02Å; N2115-Y2122 HydrophobicContact CB-CD2 3.88Å; N2115-Y2122 HydrophobicContact CB-CE1 3.82Å; N2115-Y2122 HydrophobicContact CB-CE2 3.9Å; N2115-Y2122 HydrophobicContact CB-CG 4.2Å; N2115-Y2122 VanDerWaalsContact ND2-CE2 3.28Å; N2115-Y2122 WeakPolarHBondContact ND2-CE2 3.28Å; N2115-W2173 HydrophobicContact CB-CZ3 4.09Å
2116	Y	80.7	Confident	85.1	Confident	105.8 Å²	105.8	40.2 Å²	40.2	42%	0.415	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.5	179.5	-72.3	-80	0	0	0	113.8	F1706 N2097 F2114 T2118 R2119	F1706-Y2116 HydrophobicContact CD1-CD2 4.46Å; F1706-Y2116 HydrophobicContact CE1-CD2 4.49Å; N2097-Y2116 VanDerWaalsContact OD1-CE2 3.29Å; N2097-Y2116 WeakPolarHBondContact OD1-CE2 3.3Å; N2097-Y2116 VanDerWaalsContact OD1-CZ 3.31Å; N2097-Y2116 PolarHBondContact OD1-OH 3.07Å; F2114-Y2116 AromaticContact CD1-CD1 3.9Å; F2114-Y2116 HydrophobicContact CD1-CD1 3.92Å; F2114-Y2116 HydrophobicContact CD1-CD2 4.32Å; F2114-Y2116 AromaticContact CD1-CE1 3.9Å; F2114-Y2116 HydrophobicContact CD1-CE1 3.9Å; F2114-Y2116 HydrophobicContact CD1-CE2 4.26Å; F2114-Y2116 HydrophobicContact CD1-CG 4.18Å; F2114-Y2116 AromaticContact CD1-CZ 4Å; F2114-Y2116 AromaticContact CE1-CD1 3.79Å; F2114-Y2116 HydrophobicContact CE1-CD1 3.79Å; F2114-Y2116 AromaticContact CE1-CE1 3.9Å; F2114-Y2116 HydrophobicContact CE1-CE1 3.99Å; F2114-Y2116 HydrophobicContact CE1-CG 4.31Å; F2114-Y2116 PolarHBondContact O-N 2.94Å; Y2116-T2118 PolarHBondContact O-N 3.09Å; Y2116-R2119 PolarHBondContact O-N 3.21Å
2117	S	79	Confident	85.2	Confident	97.8 Å²	97.8	39.8 Å²	39.8	68%	0.684	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-39.1	-178	-39.7	0	0	0	0	112.2	N2115	N2115-S2117 VanDerWaalsContact C-N 3.3Å; N2115-S2117 PolarHBondContact O-N 3.17Å; N2115-S2117 WeakPolarHBondContact OD1-CB 3.32Å; N2115-S2117 PolarHBondContact OD1-N 3.11Å; N2115-S2117 PolarHBondContact OD1-OG 2.9Å
2118	T	81.4	Confident	85.1	Confident	59.4 Å²	59.4	40.6 Å²	40.6	36%	0.364	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-4	178.8	60.3	0	0	0	0	113.7	N2115 Y2116 N2120 Y2122	N2115-T2118 WeakPolarHBondContact CB-OG1 3.38Å; N2115-T2118 VanDerWaalsContact CG-OG1 3.28Å; N2115-T2118 PolarHBondContact ND2-OG1 2.94Å; N2115-T2118 PolarHBondContact O-N 3.17Å; N2115-T2118 PolarHBondContact OD1-N 3.05Å; Y2116-T2118 PolarHBondContact O-N 3.09Å; T2118-N2120 PolarHBondContact O-N 3.26Å; T2118-N2120 VanDerWaalsContact O-N 3.15Å; T2118-N2120 PolarHBondContact O-ND2 2.8Å; T2118-Y2122 WeakPolarHBondContact CG2-OH 3.42Å; T2118-Y2122 VanDerWaalsContact OG1-CE1 3.28Å; T2118-Y2122 WeakPolarHBondContact OG1-CE1 3.39Å; T2118-Y2122 VanDerWaalsContact OG1-CE2 3.27Å; T2118-Y2122 WeakPolarHBondContact OG1-CE2 3.33Å; T2118-Y2122 PolarHBondContact OG1-OH 3.22Å; T2118-Y2122 VanDerWaalsContact OG1-OH 3.06Å
2119	R	82	Confident	85.2	Confident	203.4 Å²	203.4	40.4 Å²	40.4	77%	0.768	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	30	-174.1	-60.3	-176.3	176.7	-175.2	-0.8	114.1	F2114 N2115 Y2116	F2114-R2119 WeakPolarHBondContact CE2-O 3.39Å; F2114-R2119 HydrophobicContact CZ-CB 4.37Å; N2115-R2119 VanDerWaalsContact O-CA 3.26Å; N2115-R2119 WeakPolarHBondContact O-CA 3.38Å; N2115-R2119 PolarHBondContact O-N 2.95Å; Y2116-R2119 PolarHBondContact O-N 3.21Å
2120	N	84.4	Confident	85.2	Confident	72 Å²	72	41 Å²	41	39%	0.385	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154	-174.4	-80.9	-18.2	0	0	0	111.4	N2115 T2118 Y2122 H2171	N2115-N2120 WeakPolarHBondContact CB-O 3.34Å; N2115-N2120 PolarHBondContact N-O 3.09Å; N2115-N2120 PolarHBondContact O-N 3.13Å; T2118-N2120 PolarHBondContact O-N 3.26Å; T2118-N2120 VanDerWaalsContact O-N 3.15Å; T2118-N2120 PolarHBondContact O-ND2 2.8Å; N2120-Y2122 HydrophobicContact CB-CD1 4.28Å; N2120-Y2122 HydrophobicContact CB-CD2 4.29Å; N2120-Y2122 HydrophobicContact CB-CE1 3.84Å; N2120-Y2122 HydrophobicContact CB-CE2 3.85Å; N2120-Y2122 WeakPolarHBondContact O-CD1 3.35Å; N2120-Y2122 WeakPolarHBondContact O-CD2 3.33Å; N2120-H2171 PolarHBondContact ND2-NE2 2.83Å
2121	W	84.9	Confident	84.9	Confident	62.2 Å²	62.2	43.3 Å²	43.3	24%	0.236	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.6	175	-70.8	90.6	0	0	0	111.3	R2099 Q2112 F2113 F2114	R2099-W2121 HydrophobicContact CB-CE3 4.49Å; R2099-W2121 HydrophobicContact CB-CH2 4.07Å; R2099-W2121 HydrophobicContact CB-CZ3 3.95Å; R2099-W2121 HydrophobicContact CG-CD2 4.17Å; R2099-W2121 HydrophobicContact CG-CE3 3.67Å; R2099-W2121 HydrophobicContact CG-CH2 4.02Å; R2099-W2121 HydrophobicContact CG-CZ2 4.48Å; R2099-W2121 HydrophobicContact CG-CZ3 3.59Å; R2099-W2121 VanDerWaalsContact CZ-CD1 3.48Å; R2099-W2121 VanDerWaalsContact CZ-CG 3.43Å; Q2112-W2121 HydrophobicContact CB-CB 4.42Å; Q2112-W2121 HydrophobicContact CB-CE3 4.01Å; Q2112-W2121 WeakPolarHBondContact O-CZ3 3.49Å; F2113-W2121 VanDerWaalsContact C-CE3 3.47Å; F2113-W2121 CarbonylContact O-C 3.55Å; F2113-W2121 WeakPolarHBondContact O-CA 3.28Å; F2114-W2121 HydrophobicContact CB-CD2 4.19Å; F2114-W2121 HydrophobicContact CB-CE3 3.95Å; F2114-W2121 HydrophobicContact CB-CH2 3.85Å; F2114-W2121 HydrophobicContact CB-CZ2 4.08Å; F2114-W2121 HydrophobicContact CB-CZ3 3.77Å; F2114-W2121 AromaticContact CD2-CD1 3.92Å; F2114-W2121 AromaticContact CD2-CD2 3.87Å; F2114-W2121 HydrophobicContact CD2-CD2 3.87Å; F2114-W2121 AromaticContact CD2-CE2 3.56Å; F2114-W2121 HydrophobicContact CD2-CE3 4.46Å; F2114-W2121 HydrophobicContact CD2-CG 4.12Å; F2114-W2121 HydrophobicContact CD2-CH2 4.5Å; F2114-W2121 AromaticContact CD2-CZ2 3.96Å; F2114-W2121 HydrophobicContact CD2-CZ2 3.97Å; F2114-W2121 AromaticContact CD2-NE1 3.58Å; F2114-W2121 AromaticContact CE2-NE1 3.96Å; F2114-W2121 HydrophobicContact CG-CH2 4.49Å; F2114-W2121 HydrophobicContact CG-CZ2 4.31Å
2122	Y	88.4	Confident	84.6	Confident	28.2 Å²	28.2	44.5 Å²	44.5	11%	0.111	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.8	-172	-82	-128.1	0	0	0	108.8	Q2112 F2113 N2115 T2118 N2120 H2171 I2172 W2173	Q2112-Y2122 CarbonylContact C-O 3.57Å; Q2112-Y2122 VanDerWaalsContact CA-O 3.24Å; Q2112-Y2122 WeakPolarHBondContact CA-O 3.45Å; F2113-Y2122 PolarHBondContact N-O 3.1Å; F2113-Y2122 PolarHBondContact O-N 3.03Å; N2115-Y2122 HydrophobicContact CB-CD1 4.02Å; N2115-Y2122 HydrophobicContact CB-CD2 3.88Å; N2115-Y2122 HydrophobicContact CB-CE1 3.82Å; N2115-Y2122 HydrophobicContact CB-CE2 3.9Å; N2115-Y2122 HydrophobicContact CB-CG 4.2Å; N2115-Y2122 VanDerWaalsContact ND2-CE2 3.28Å; N2115-Y2122 WeakPolarHBondContact ND2-CE2 3.28Å; T2118-Y2122 WeakPolarHBondContact CG2-OH 3.42Å; T2118-Y2122 VanDerWaalsContact OG1-CE1 3.28Å; T2118-Y2122 WeakPolarHBondContact OG1-CE1 3.39Å; T2118-Y2122 VanDerWaalsContact OG1-CE2 3.27Å; T2118-Y2122 WeakPolarHBondContact OG1-CE2 3.33Å; T2118-Y2122 PolarHBondContact OG1-OH 3.22Å; T2118-Y2122 VanDerWaalsContact OG1-OH 3.06Å; N2120-Y2122 HydrophobicContact CB-CD1 4.28Å; N2120-Y2122 HydrophobicContact CB-CD2 4.29Å; N2120-Y2122 HydrophobicContact CB-CE1 3.84Å; N2120-Y2122 HydrophobicContact CB-CE2 3.85Å; N2120-Y2122 WeakPolarHBondContact O-CD1 3.35Å; N2120-Y2122 WeakPolarHBondContact O-CD2 3.33Å; Y2122-H2171 CarbonylContact C-O 3.59Å; Y2122-H2171 WeakPolarHBondContact CA-O 3.31Å; Y2122-H2171 HydrophobicContact CD1-CB 3.88Å; Y2122-H2171 HydrophobicContact CD2-CB 3.79Å; Y2122-H2171 VanDerWaalsContact CD2-CB 3.48Å; Y2122-H2171 HydrophobicContact CE1-CB 3.87Å; Y2122-H2171 VanDerWaalsContact CE1-CB 3.43Å; Y2122-H2171 AromaticContact CE1-CG 3.72Å; Y2122-H2171 AromaticContact CE1-ND1 3.7Å; Y2122-H2171 HydrophobicContact CE2-CB 3.77Å; Y2122-H2171 VanDerWaalsContact CE2-CB 3.49Å; Y2122-H2171 AromaticContact CE2-CD2 3.71Å; Y2122-H2171 AromaticContact CE2-CG 3.73Å; Y2122-H2171 AromaticContact CE2-ND1 3.31Å; Y2122-H2171 VanDerWaalsContact CE2-ND1 3.31Å; Y2122-H2171 WeakPolarHBondContact CE2-ND1 3.43Å; Y2122-H2171 HydrophobicContact CG-CB 3.81Å; Y2122-H2171 AromaticContact CZ-CD2 3.59Å; Y2122-H2171 AromaticContact CZ-CG 3.88Å; Y2122-H2171 AromaticContact CZ-ND1 3.5Å; Y2122-H2171 PolarHBondContact OH-CD2 3.4Å; Y2122-H2171 PolarHBondContact OH-ND1 2.99Å; Y2122-H2171 VanDerWaalsContact OH-ND1 3.13Å; Y2122-I2172 VanDerWaalsContact CD1-C 3.45Å; Y2122-I2172 WeakPolarHBondContact CD1-O 3.4Å; Y2122-I2172 VanDerWaalsContact CD2-C 3.49Å; Y2122-I2172 WeakPolarHBondContact CD2-O 3.33Å; Y2122-W2173 HydrophobicContact CD1-CE3 4.34Å; Y2122-W2173 HydrophobicContact CD2-CE3 4.34Å; Y2122-W2173 HydrophobicContact CG-CE3 4.35Å
2123	I	87.7	Confident	84.5	Confident	6.4 Å²	6.4	44 Å²	44	3%	0.033	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	139.4	-179	-167.1	165.5	0	0	0	111.6	F2110 Q2112 C2125 L2155 Y2156 I2169 H2171 I2172 W2173 F2206	F2110-I2123 HydrophobicContact CB-CD1 4.43Å; Q2112-I2123 HydrophobicContact CG-CB 4.42Å; Q2112-I2123 HydrophobicContact CG-CG1 4.44Å; I2123-C2125 PolarHBondContact O-N 2.89Å; I2123-L2155 HydrophobicContact CD1-CD1 3.76Å; I2123-L2155 HydrophobicContact CD1-CD2 4.12Å; I2123-Y2156 HydrophobicContact CD1-CD1 4.15Å; I2123-Y2156 HydrophobicContact CD1-CD2 3.27Å; I2123-Y2156 HydrophobicContact CD1-CE1 4.21Å; I2123-Y2156 HydrophobicContact CD1-CE2 3.34Å; I2123-Y2156 HydrophobicContact CD1-CG 3.7Å; I2123-Y2156 VanDerWaalsContact CD1-CG 3.44Å; I2123-Y2156 HydrophobicContact CG1-CD2 4.47Å; I2123-Y2156 HydrophobicContact CG1-CE2 4.44Å; I2123-I2169 HydrophobicContact CG2-CG2 4.26Å; I2123-H2171 WeakPolarHBondContact CG2-O 3.21Å; I2123-H2171 PolarHBondContact N-O 3.21Å; I2123-H2171 VanDerWaalsContact N-O 3.15Å; I2123-I2172 HydrophobicContact CG2-CG1 4.29Å; I2123-I2172 WeakPolarHBondContact O-CA 3.26Å; I2123-I2172 WeakPolarHBondContact O-CG2 3.5Å; I2123-W2173 WeakPolarHBondContact O-CB 3.34Å; I2123-W2173 PolarHBondContact O-N 3.06Å; I2123-F2206 HydrophobicContact CB-CD1 4.48Å; I2123-F2206 HydrophobicContact CD1-CB 3.96Å; I2123-F2206 HydrophobicContact CD1-CD1 3.54Å; I2123-F2206 HydrophobicContact CD1-CD2 4.32Å; I2123-F2206 HydrophobicContact CD1-CE1 4.12Å; I2123-F2206 HydrophobicContact CD1-CG 3.71Å; I2123-F2206 HydrophobicContact CG1-CB 4.39Å; I2123-F2206 HydrophobicContact CG1-CD1 3.87Å; I2123-F2206 HydrophobicContact CG1-CE1 4.47Å; I2123-F2206 HydrophobicContact CG1-CG 4.33Å; I2123-F2206 HydrophobicContact CG2-CD1 3.89Å; I2123-F2206 HydrophobicContact CG2-CE1 3.79Å
2124	A	89.5	Confident	84.4	Confident	2.8 Å²	2.8	43.7 Å²	43.7	2%	0.023	21%	0.209	C	C	.	.			trans	-75.3	116.2	173.6	0	0	0	0	0	110.5	V2111 F2113 F2129 A2207	V2111-A2124 HydrophobicContact CB-CB 3.92Å; V2111-A2124 HydrophobicContact CG1-CB 4.16Å; V2111-A2124 WeakPolarHBondContact O-CB 3.4Å; V2111-A2124 PolarHBondContact O-N 2.91Å; F2113-A2124 HydrophobicContact CD2-CB 4.24Å; F2113-A2124 HydrophobicContact CE2-CB 3.84Å; A2124-F2129 HydrophobicContact CB-CD2 4.41Å; A2124-F2129 HydrophobicContact CB-CE2 4.38Å; A2124-A2207 HydrophobicContact CB-CB 4.03Å; A2124-A2207 PolarHBondContact O-N 3.3Å
2125	C	87.3	Confident	84.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.			trans	-129.8	85.8	171.1	-158.5	0	0	0	0	107.6	I2123 I2172 N2194 C2200 D2205 F2206	I2123-C2125 PolarHBondContact O-N 2.89Å; C2125-I2172 HydrophobicContact CB-CG2 3.89Å; C2125-I2172 VanDerWaalsContact CB-CG2 3.5Å; C2125-N2194 PolarHBondContact O-ND2 2.98Å; C2125-C2200 WeakPolarHBondContact CA-SG 3.29Å; C2125-C2200 HydrophobicContact CB-CB 4.01Å; C2125-C2200 WeakPolarHBondContact CB-SG 3.28Å; C2125-C2200 PolarHBondContact O-SG 2.97Å; C2125-C2200 VanDerWaalsContact O-SG 3.36Å; C2125-C2200 WeakPolarHBondContact SG-CB 3.39Å; C2125-C2200 PolarHBondContact SG-O 2.95Å; C2125-C2200 VanDerWaalsContact SG-O 3.39Å; C2125-C2200 CovalentContact SG-SG 2.04Å; C2125-C2200 PolarHBondContact SG-SG 2.87Å; C2125-D2205 PolarHBondContact SG-O 2.99Å; C2125-D2205 VanDerWaalsContact SG-O 3.4Å; C2125-F2206 HydrophobicContact CB-CD1 3.95Å; C2125-F2206 HydrophobicContact CB-CE1 4.24Å
2126	D	84.4	Confident	84.2	Confident	7.2 Å²	7.2	40.6 Å²	40.6	4%	0.039	19%	0.194	C	C	.	.			trans	-144.1	115.4	-175.7	178.5	11.4	0	0	0	109.7	Q2128 F2129 F2152 S2176 N2194	D2126-Q2128 PolarHBondContact O-N 3.13Å; D2126-Q2128 VanDerWaalsContact O-N 3.14Å; D2126-Q2128 WeakPolarHBondContact OD1-CA 3.24Å; D2126-Q2128 VanDerWaalsContact OD1-CB 3.25Å; D2126-Q2128 WeakPolarHBondContact OD1-CB 3.33Å; D2126-Q2128 VanDerWaalsContact OD1-CG 3.26Å; D2126-Q2128 WeakPolarHBondContact OD1-CG 3.42Å; D2126-Q2128 PolarHBondContact OD1-N 3.21Å; D2126-F2129 HydrophobicContact CB-CB 4.32Å; D2126-F2129 VanDerWaalsContact O-CB 3.27Å; D2126-F2129 WeakPolarHBondContact O-CB 3.26Å; D2126-F2129 PolarHBondContact O-N 3.16Å; D2126-F2152 WeakPolarHBondContact O-CE1 3.33Å; D2126-F2152 VanDerWaalsContact O-CZ 3.31Å; D2126-F2152 WeakPolarHBondContact O-CZ 3.32Å; D2126-S2176 PolarHBondContact OD1-OG 3.08Å; D2126-S2176 WeakPolarHBondContact OD2-CA 3.33Å; D2126-S2176 WeakPolarHBondContact OD2-CB 3.38Å; D2126-S2176 PolarHBondContact OD2-OG 3.08Å; D2126-N2194 WeakPolarHBondContact CB-ND2 3.23Å
2127	K	78.2	Confident	84.6	Confident	70 Å²	70	35.6 Å²	35.6	30%	0.304	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.3	176.6	-68.5	-171	176.7	-163.9	0	113.2	F2129 D2196 R2203 D2205 K2528	K2127-F2129 VanDerWaalsContact C-N 3.3Å; K2127-D2196 WeakPolarHBondContact CD-OD2 3.22Å; K2127-D2196 WeakPolarHBondContact CE-OD2 2.91Å; K2127-R2203 VanDerWaalsContact NZ-NH1 3.15Å; K2127-D2205 WeakPolarHBondContact CE-OD2 3.22Å; K2127-D2205 IonicContact NZ-OD2 3.39Å; K2127-D2205 PolarHBondContact NZ-OD2 2.99Å; K2127-K2528 PolarHBondContact O-NZ 3.46Å
2128	Q	79.3	Confident	84.9	Confident	30.4 Å²	30.4	30.9 Å²	30.9	14%	0.142	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	3.1	177.4	-52.3	-158.7	-78.5	0	0	112.8	D2126 S2130 S2176 R2192 Y2461	D2126-Q2128 PolarHBondContact O-N 3.13Å; D2126-Q2128 VanDerWaalsContact O-N 3.14Å; D2126-Q2128 WeakPolarHBondContact OD1-CA 3.24Å; D2126-Q2128 VanDerWaalsContact OD1-CB 3.25Å; D2126-Q2128 WeakPolarHBondContact OD1-CB 3.33Å; D2126-Q2128 VanDerWaalsContact OD1-CG 3.26Å; D2126-Q2128 WeakPolarHBondContact OD1-CG 3.42Å; D2126-Q2128 PolarHBondContact OD1-N 3.21Å; Q2128-S2130 VanDerWaalsContact C-N 3.28Å; Q2128-S2130 PolarHBondContact O-N 3Å; Q2128-S2176 PolarHBondContact OE1-OG 2.81Å; Q2128-S2176 VanDerWaalsContact OE1-OG 3.05Å; Q2128-R2192 VanDerWaalsContact CD-NH2 3.28Å; Q2128-R2192 VanDerWaalsContact NE2-NH2 3.12Å; Q2128-Y2461 HydrophobicContact CG-CE2 4.28Å; Q2128-Y2461 PolarHBondContact NE2-OH 3.27Å; Q2128-Y2461 VanDerWaalsContact NE2-OH 3.09Å; Q2128-Y2461 PolarHBondContact OE1-OH 2.76Å
2129	F	86.2	Confident	84.9	Confident	6.2 Å²	6.2	29.4 Å²	29.4	3%	0.027	13%	0.134	C	C	.	.			trans	-66.2	89.2	172.5	-164.7	-84.9	0	0	0	109.5	V2111 F2113 A2124 D2126 K2127 V2133 A2134 V2137 V2150 F2152 A2207	V2111-F2129 HydrophobicContact CB-CZ 4.44Å; V2111-F2129 HydrophobicContact CG1-CE2 4.34Å; V2111-F2129 HydrophobicContact CG1-CZ 4.25Å; V2111-F2129 HydrophobicContact CG2-CE1 4.3Å; V2111-F2129 HydrophobicContact CG2-CZ 4.05Å; F2113-F2129 HydrophobicContact CE2-CE2 4.3Å; F2113-F2129 AromaticContact CZ-CE2 3.85Å; F2113-F2129 HydrophobicContact CZ-CE2 4.05Å; A2124-F2129 HydrophobicContact CB-CD2 4.41Å; A2124-F2129 HydrophobicContact CB-CE2 4.38Å; D2126-F2129 HydrophobicContact CB-CB 4.32Å; D2126-F2129 VanDerWaalsContact O-CB 3.27Å; D2126-F2129 WeakPolarHBondContact O-CB 3.26Å; D2126-F2129 PolarHBondContact O-N 3.16Å; K2127-F2129 VanDerWaalsContact C-N 3.3Å; F2129-V2133 HydrophobicContact CD1-CG1 4.39Å; F2129-V2133 HydrophobicContact CD2-CB 4.45Å; F2129-V2133 HydrophobicContact CD2-CG1 3.88Å; F2129-V2133 HydrophobicContact CE1-CG1 4.26Å; F2129-V2133 HydrophobicContact CE2-CB 4.41Å; F2129-V2133 HydrophobicContact CE2-CG1 3.57Å; F2129-V2133 VanDerWaalsContact CE2-CG1 3.45Å; F2129-V2133 HydrophobicContact CG-CG1 4.37Å; F2129-V2133 HydrophobicContact CZ-CB 4.4Å; F2129-V2133 HydrophobicContact CZ-CG1 3.95Å; F2129-A2134 HydrophobicContact CE1-CB 4.05Å; F2129-V2137 HydrophobicContact CE2-CG2 4.47Å; F2129-V2137 HydrophobicContact CZ-CG2 4.17Å; F2129-V2150 HydrophobicContact CD1-CG1 3.87Å; F2129-V2150 HydrophobicContact CD1-CG2 3.97Å; F2129-V2150 HydrophobicContact CE1-CG1 4.46Å; F2129-V2150 HydrophobicContact CE1-CG2 4Å; F2129-F2152 HydrophobicContact CB-CE1 4.08Å; F2129-F2152 HydrophobicContact CB-CZ 3.95Å; F2129-F2152 WeakPolarHBondContact O-CZ 3.4Å; F2129-A2207 HydrophobicContact CB-CB 4.34Å; F2129-A2207 HydrophobicContact CD1-CB 4.11Å; F2129-A2207 HydrophobicContact CD2-CB 4.42Å; F2129-A2207 HydrophobicContact CG-CB 4.1Å
2130	S	85.1	Confident	84.9	Confident	13 Å²	13	20.9 Å²	20.9	9%	0.091	10%	0.103	C	C	.	.			trans	-84.8	170.6	-171.8	73.1	0	0	0	0	112.7	Q2128 R2132 V2133 A2134 S2525	Q2128-S2130 VanDerWaalsContact C-N 3.28Å; Q2128-S2130 PolarHBondContact O-N 3Å; S2130-R2132 VanDerWaalsContact C-N 3.29Å; S2130-R2132 PolarHBondContact O-N 2.98Å; S2130-R2132 PolarHBondContact OG-N 3.14Å; S2130-V2133 PolarHBondContact O-N 3.09Å; S2130-V2133 VanDerWaalsContact O-N 3.12Å; S2130-V2133 WeakPolarHBondContact OG-CG2 3.14Å; S2130-V2133 PolarHBondContact OG-N 3Å; S2130-A2134 VanDerWaalsContact O-CB 3.26Å; S2130-A2134 WeakPolarHBondContact O-CB 3.48Å; S2130-A2134 PolarHBondContact O-N 3.06Å; S2130-A2134 VanDerWaalsContact O-N 3.1Å; S2130-S2525 WeakPolarHBondContact CB-O 3.41Å; S2130-S2525 WeakPolarHBondContact CB-OG 3.41Å; S2130-S2525 VanDerWaalsContact OG-CB 3.28Å; S2130-S2525 WeakPolarHBondContact OG-CB 3.42Å; S2130-S2525 PolarHBondContact OG-O 3.16Å; S2130-S2525 PolarHBondContact OG-OG 2.78Å
2131	T	83.5	Confident	84.8	Confident	48.6 Å²	48.6	18.2 Å²	18.2	30%	0.298	9%	0.087	S	C	.	.	H	α-helix	trans	-56.4	-34.5	170.2	10.9	0	0	0	0	112.2	A2134 Q2135 D2527	T2131-A2134 WeakPolarHBondContact O-CB 3.21Å; T2131-A2134 PolarHBondContact O-N 3.03Å; T2131-Q2135 VanDerWaalsContact O-CG 3.3Å; T2131-Q2135 WeakPolarHBondContact O-CG 3.3Å; T2131-Q2135 PolarHBondContact O-N 2.98Å; T2131-D2527 PolarHBondContact OG1-OD2 2.97Å
2132	R	82.8	Confident	84.3	Confident	27 Å²	27	20.9 Å²	20.9	10%	0.102	11%	0.107	C	C	.	.	H	α-helix	trans	-69	-41.3	177.4	-58.9	-69.5	-169.5	142.3	-2.2	112.2	S2130 A2134 Q2135 V2136 C2179 N2180 G2181 E2278 E2401	S2130-R2132 VanDerWaalsContact C-N 3.29Å; S2130-R2132 PolarHBondContact O-N 2.98Å; S2130-R2132 PolarHBondContact OG-N 3.14Å; R2132-A2134 VanDerWaalsContact C-N 3.3Å; R2132-A2134 PolarHBondContact O-N 3.12Å; R2132-Q2135 VanDerWaalsContact CD-OE1 3.23Å; R2132-Q2135 WeakPolarHBondContact O-CB 3.29Å; R2132-Q2135 PolarHBondContact O-N 2.96Å; R2132-V2136 PolarHBondContact O-N 3.03Å; R2132-C2179 VanDerWaalsContact CB-O 3.3Å; R2132-C2179 WeakPolarHBondContact CB-O 3.29Å; R2132-N2180 WeakPolarHBondContact CD-O 3.4Å; R2132-N2180 PolarHBondContact NH1-O 2.9Å; R2132-G2181 WeakPolarHBondContact O-CA 3.34Å; R2132-E2278 IonicContact CZ-OE1 3.89Å; R2132-E2278 IonicContact NH1-OE1 3.95Å; R2132-E2278 IonicContact NH2-OE1 3.02Å; R2132-E2278 PolarHBondContact NH2-OE1 3.21Å; R2132-E2401 IonicContact NH1-OE1 2.74Å; R2132-E2401 IonicContact NH2-OE1 3.77Å; R2132-E2401 PolarHBondContact NH2-OE1 2.98Å
2133	V	87.8	Confident	83.6	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-41.8	173.2	179.8	0	0	0	0	110.5	F2129 S2130 Q2135 V2136 V2137 Y2177 C2179 L2186	F2129-V2133 HydrophobicContact CD1-CG1 4.39Å; F2129-V2133 HydrophobicContact CD2-CB 4.45Å; F2129-V2133 HydrophobicContact CD2-CG1 3.88Å; F2129-V2133 HydrophobicContact CE1-CG1 4.26Å; F2129-V2133 HydrophobicContact CE2-CB 4.41Å; F2129-V2133 HydrophobicContact CE2-CG1 3.57Å; F2129-V2133 VanDerWaalsContact CE2-CG1 3.45Å; F2129-V2133 HydrophobicContact CG-CG1 4.37Å; F2129-V2133 HydrophobicContact CZ-CB 4.4Å; F2129-V2133 HydrophobicContact CZ-CG1 3.95Å; S2130-V2133 PolarHBondContact O-N 3.09Å; S2130-V2133 VanDerWaalsContact O-N 3.12Å; S2130-V2133 WeakPolarHBondContact OG-CG2 3.14Å; S2130-V2133 PolarHBondContact OG-N 3Å; V2133-Q2135 VanDerWaalsContact C-N 3.34Å; V2133-Q2135 PolarHBondContact O-N 2.99Å; V2133-V2136 PolarHBondContact O-N 3.06Å; V2133-V2137 HydrophobicContact CG1-CG2 4.5Å; V2133-V2137 WeakPolarHBondContact O-CG2 3.17Å; V2133-V2137 PolarHBondContact O-N 3.04Å; V2133-Y2177 WeakPolarHBondContact CG2-O 3.23Å; V2133-C2179 HydrophobicContact CG2-CB 4.29Å; V2133-L2186 HydrophobicContact CG1-CD1 3.93Å; V2133-L2186 HydrophobicContact CG1-CD2 3.79Å
2134	A	88.9	Confident	82.8	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-38.1	175.8	0	0	0	0	0	113.9	F2129 S2130 T2131 R2132 V2136 V2137 C2138 A2148 V2150 L2209	F2129-A2134 HydrophobicContact CE1-CB 4.05Å; S2130-A2134 VanDerWaalsContact O-CB 3.26Å; S2130-A2134 WeakPolarHBondContact O-CB 3.48Å; S2130-A2134 PolarHBondContact O-N 3.06Å; S2130-A2134 VanDerWaalsContact O-N 3.1Å; T2131-A2134 WeakPolarHBondContact O-CB 3.21Å; T2131-A2134 PolarHBondContact O-N 3.03Å; R2132-A2134 VanDerWaalsContact C-N 3.3Å; R2132-A2134 PolarHBondContact O-N 3.12Å; A2134-V2136 VanDerWaalsContact C-N 3.33Å; A2134-V2136 PolarHBondContact O-N 2.94Å; A2134-V2137 PolarHBondContact O-N 3.21Å; A2134-C2138 WeakPolarHBondContact O-CB 3.26Å; A2134-C2138 PolarHBondContact O-N 3.14Å; A2134-C2138 PolarHBondContact O-SG 3.05Å; A2134-A2148 HydrophobicContact CB-CB 4Å; A2134-V2150 HydrophobicContact CB-CG2 3.25Å; A2134-L2209 HydrophobicContact CB-CD1 3.44Å; A2134-L2209 VanDerWaalsContact CB-CD1 3.44Å; A2134-L2209 HydrophobicContact CB-CD2 4.44Å
2135	Q	83.3	Confident	82.1	Confident	11.6 Å²	11.6	23.2 Å²	23.2	5%	0.054	12%	0.124	C	C	.	.	H	α-helix	trans	-57	-45.8	173.2	-75.9	168	-16.3	0	0	111.1	T2131 R2132 V2133 C2138 S2139 T2145 A2148 G2181	T2131-Q2135 VanDerWaalsContact O-CG 3.3Å; T2131-Q2135 WeakPolarHBondContact O-CG 3.3Å; T2131-Q2135 PolarHBondContact O-N 2.98Å; R2132-Q2135 VanDerWaalsContact CD-OE1 3.23Å; R2132-Q2135 WeakPolarHBondContact O-CB 3.29Å; R2132-Q2135 PolarHBondContact O-N 2.96Å; V2133-Q2135 VanDerWaalsContact C-N 3.34Å; V2133-Q2135 PolarHBondContact O-N 2.99Å; Q2135-C2138 PolarHBondContact O-N 3.02Å; Q2135-S2139 WeakPolarHBondContact O-CB 3.15Å; Q2135-S2139 PolarHBondContact O-N 3.08Å; Q2135-T2145 VanDerWaalsContact CG-O 3.28Å; Q2135-T2145 WeakPolarHBondContact CG-O 3.33Å; Q2135-T2145 WeakPolarHBondContact O-CB 3.11Å; Q2135-T2145 VanDerWaalsContact O-CG2 3.3Å; Q2135-T2145 WeakPolarHBondContact O-CG2 3.35Å; Q2135-A2148 HydrophobicContact CG-CB 4.13Å; Q2135-G2181 WeakPolarHBondContact CB-O 3.37Å
2136	V	83.2	Confident	81.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.4	-42	177.4	177.7	0	0	0	0	111.8	R2132 V2133 A2134 C2138 S2139 E2140 C2179 E2183 K2185 L2186	R2132-V2136 PolarHBondContact O-N 3.03Å; V2133-V2136 PolarHBondContact O-N 3.06Å; A2134-V2136 VanDerWaalsContact C-N 3.33Å; A2134-V2136 PolarHBondContact O-N 2.94Å; V2136-C2138 VanDerWaalsContact C-N 3.34Å; V2136-C2138 PolarHBondContact O-N 3.24Å; V2136-S2139 WeakPolarHBondContact O-CA 3.44Å; V2136-S2139 VanDerWaalsContact O-CB 3.26Å; V2136-S2139 WeakPolarHBondContact O-CB 3.28Å; V2136-S2139 PolarHBondContact O-N 3.02Å; V2136-S2139 VanDerWaalsContact O-N 3.12Å; V2136-E2140 PolarHBondContact O-N 2.86Å; V2136-C2179 HydrophobicContact CG2-CB 3.78Å; V2136-E2183 HydrophobicContact CG1-CB 4.06Å; V2136-E2183 WeakPolarHBondContact CG1-O 3.35Å; V2136-E2183 HydrophobicContact CG2-CB 3.83Å; V2136-E2183 HydrophobicContact CG2-CG 4.47Å; V2136-E2183 VanDerWaalsContact CG2-OE2 3.28Å; V2136-E2183 WeakPolarHBondContact CG2-OE2 3.34Å; V2136-K2185 VanDerWaalsContact CG1-C 3.45Å; V2136-K2185 WeakPolarHBondContact CG1-O 3.29Å; V2136-L2186 HydrophobicContact CB-CD2 4.31Å; V2136-L2186 HydrophobicContact CG1-CB 4.42Å; V2136-L2186 HydrophobicContact CG1-CD1 4.41Å; V2136-L2186 HydrophobicContact CG1-CD2 4.02Å; V2136-L2186 HydrophobicContact CG1-CG 4.04Å
2137	V	88.5	Confident	80.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62	-41.8	175.5	173.6	0	0	0	0	111.4	V2098 F2129 V2133 A2134 S2139 E2140 F2141 L2186 L2209	V2098-V2137 HydrophobicContact CG1-CG1 4.1Å; V2098-V2137 HydrophobicContact CG2-CG1 3.84Å; F2129-V2137 HydrophobicContact CE2-CG2 4.47Å; F2129-V2137 HydrophobicContact CZ-CG2 4.17Å; V2133-V2137 HydrophobicContact CG1-CG2 4.5Å; V2133-V2137 WeakPolarHBondContact O-CG2 3.17Å; V2133-V2137 PolarHBondContact O-N 3.04Å; A2134-V2137 PolarHBondContact O-N 3.21Å; V2137-S2139 VanDerWaalsContact C-N 3.3Å; V2137-S2139 PolarHBondContact O-N 3.13Å; V2137-E2140 WeakPolarHBondContact O-CB 3.49Å; V2137-E2140 PolarHBondContact O-N 2.93Å; V2137-F2141 HydrophobicContact CG1-CD2 4.18Å; V2137-F2141 HydrophobicContact CG1-CE2 3.57Å; V2137-F2141 HydrophobicContact CG1-CZ 4.3Å; V2137-F2141 VanDerWaalsContact O-CD2 3.22Å; V2137-F2141 WeakPolarHBondContact O-CD2 3.36Å; V2137-F2141 PolarHBondContact O-N 3Å; V2137-L2186 HydrophobicContact CG2-CD1 4.19Å; V2137-L2186 HydrophobicContact CG2-CD2 4.03Å; V2137-L2186 HydrophobicContact CG2-CG 4.1Å; V2137-L2209 HydrophobicContact CB-CD2 3.88Å; V2137-L2209 HydrophobicContact CG1-CD2 3.48Å; V2137-L2209 VanDerWaalsContact CG1-CD2 3.5Å
2138	C	86.7	Confident	81.1	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-34.8	173.8	-63.4	0	0	0	0	112.1	A2134 Q2135 V2136 E2140 F2141 N2142 V2143 A2148 C2211	A2134-C2138 WeakPolarHBondContact O-CB 3.26Å; A2134-C2138 PolarHBondContact O-N 3.14Å; A2134-C2138 PolarHBondContact O-SG 3.05Å; Q2135-C2138 PolarHBondContact O-N 3.02Å; V2136-C2138 VanDerWaalsContact C-N 3.34Å; V2136-C2138 PolarHBondContact O-N 3.24Å; C2138-E2140 VanDerWaalsContact C-N 3.33Å; C2138-E2140 PolarHBondContact O-N 3.2Å; C2138-F2141 PolarHBondContact O-N 3.37Å; C2138-N2142 PolarHBondContact O-N 2.69Å; C2138-V2143 PolarHBondContact O-N 3.07Å; C2138-V2143 VanDerWaalsContact O-N 3.1Å; C2138-A2148 HydrophobicContact CB-CB 4.46Å; C2138-A2148 VanDerWaalsContact SG-CB 3.51Å; C2138-C2211 VanDerWaalsContact CA-SG 3.52Å; C2138-C2211 WeakPolarHBondContact CA-SG 3.43Å; C2138-C2211 HydrophobicContact CB-CB 3.83Å; C2138-C2211 WeakPolarHBondContact CB-SG 3.4Å; C2138-C2211 VanDerWaalsContact SG-CA 3.57Å; C2138-C2211 WeakPolarHBondContact SG-CB 3.37Å; C2138-C2211 CovalentContact SG-SG 2.04Å; C2138-C2211 PolarHBondContact SG-SG 3.22Å
2139	S	81.2	Confident	81.3	Confident	26.8 Å²	26.8	20.7 Å²	20.7	19%	0.187	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-42.5	174.1	-162.6	0	0	0	0	111.5	Q2135 V2136 V2137 F2141 N2142 T2145 E2183	Q2135-S2139 WeakPolarHBondContact O-CB 3.15Å; Q2135-S2139 PolarHBondContact O-N 3.08Å; V2136-S2139 WeakPolarHBondContact O-CA 3.44Å; V2136-S2139 VanDerWaalsContact O-CB 3.26Å; V2136-S2139 WeakPolarHBondContact O-CB 3.28Å; V2136-S2139 PolarHBondContact O-N 3.02Å; V2136-S2139 VanDerWaalsContact O-N 3.12Å; V2137-S2139 VanDerWaalsContact C-N 3.3Å; V2137-S2139 PolarHBondContact O-N 3.13Å; S2139-F2141 VanDerWaalsContact C-N 3.3Å; S2139-F2141 PolarHBondContact O-N 3.1Å; S2139-N2142 WeakPolarHBondContact O-CA 3.44Å; S2139-N2142 PolarHBondContact O-N 2.96Å; S2139-T2145 VanDerWaalsContact CB-CG2 3.46Å; S2139-E2183 PolarHBondContact OG-O 2.62Å
2140	E	82.2	Confident	81.4	Confident	25.6 Å²	25.6	21.1 Å²	21.1	12%	0.12	12%	0.119	C	C	.	.	H	α-helix	trans	-63.8	-31.1	177.4	-129.5	-177.2	158.1	0	0	112.4	T2095 N2097 V2098 V2136 V2137 C2138 N2142 K2185 L2186	T2095-E2140 HydrophobicContact CG2-CB 4.4Å; T2095-E2140 HydrophobicContact CG2-CG 4.15Å; T2095-E2140 PolarHBondContact OG1-OE1 3Å; N2097-E2140 PolarHBondContact ND2-OE1 2.83Å; N2097-E2140 VanDerWaalsContact ND2-OE1 3.13Å; V2098-E2140 HydrophobicContact CG1-CB 4.39Å; V2098-E2140 WeakPolarHBondContact CG1-OE2 3.49Å; V2098-E2140 WeakPolarHBondContact CG2-OE2 3.33Å; V2136-E2140 PolarHBondContact O-N 2.86Å; V2137-E2140 WeakPolarHBondContact O-CB 3.49Å; V2137-E2140 PolarHBondContact O-N 2.93Å; C2138-E2140 VanDerWaalsContact C-N 3.33Å; C2138-E2140 PolarHBondContact O-N 3.2Å; E2140-N2142 VanDerWaalsContact C-N 3.28Å; E2140-N2142 PolarHBondContact O-N 3.25Å; E2140-K2185 HydrophobicContact CG-CB 4.32Å; E2140-K2185 HydrophobicContact CG-CG 4.34Å; E2140-K2185 VanDerWaalsContact OE1-CA 3.24Å; E2140-K2185 WeakPolarHBondContact OE1-CA 3.37Å; E2140-K2185 WeakPolarHBondContact OE1-CB 3.31Å; E2140-K2185 WeakPolarHBondContact OE2-CA 3.31Å; E2140-L2186 WeakPolarHBondContact OE1-CB 3.24Å; E2140-L2186 PolarHBondContact OE1-N 3.22Å; E2140-L2186 PolarHBondContact OE2-N 2.91Å
2141	F	81.1	Confident	81.4	Confident	14.2 Å²	14.2	25.9 Å²	25.9	6%	0.062	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.1	171.8	-64	-51.9	0	0	0	114.1	L2093 T2095 V2098 L2100 V2137 C2138 S2139 V2143	L2093-F2141 HydrophobicContact CB-CD1 3.87Å; L2093-F2141 HydrophobicContact CB-CD2 4.15Å; L2093-F2141 HydrophobicContact CB-CE1 3.92Å; L2093-F2141 HydrophobicContact CB-CE2 4.17Å; L2093-F2141 HydrophobicContact CB-CG 4.01Å; L2093-F2141 HydrophobicContact CB-CZ 4.08Å; L2093-F2141 HydrophobicContact CD1-CB 4.27Å; L2093-F2141 HydrophobicContact CD1-CD2 4.01Å; L2093-F2141 HydrophobicContact CD1-CE2 4.48Å; L2093-F2141 HydrophobicContact CD1-CG 4.14Å; T2095-F2141 HydrophobicContact CG2-CD1 3.58Å; T2095-F2141 HydrophobicContact CG2-CE1 3.77Å; V2098-F2141 HydrophobicContact CB-CZ 4.25Å; V2098-F2141 HydrophobicContact CG1-CE1 3.88Å; V2098-F2141 HydrophobicContact CG1-CE2 4.4Å; V2098-F2141 HydrophobicContact CG1-CZ 3.94Å; V2098-F2141 HydrophobicContact CG2-CZ 4.03Å; V2098-F2141 WeakPolarHBondContact O-CE1 3.39Å; L2100-F2141 HydrophobicContact CD1-CE2 4.01Å; L2100-F2141 HydrophobicContact CD2-CE2 4.21Å; L2100-F2141 HydrophobicContact CD2-CZ 4.44Å; L2100-F2141 HydrophobicContact CG-CE2 3.77Å; L2100-F2141 HydrophobicContact CG-CZ 4.01Å; V2137-F2141 HydrophobicContact CG1-CD2 4.18Å; V2137-F2141 HydrophobicContact CG1-CE2 3.57Å; V2137-F2141 HydrophobicContact CG1-CZ 4.3Å; V2137-F2141 VanDerWaalsContact O-CD2 3.22Å; V2137-F2141 WeakPolarHBondContact O-CD2 3.36Å; V2137-F2141 PolarHBondContact O-N 3Å; C2138-F2141 PolarHBondContact O-N 3.37Å; S2139-F2141 VanDerWaalsContact C-N 3.3Å; S2139-F2141 PolarHBondContact O-N 3.1Å; F2141-V2143 VanDerWaalsContact C-N 3.26Å; F2141-V2143 HydrophobicContact CB-CG2 3.94Å; F2141-V2143 PolarHBondContact O-N 3.1Å
2142	N	75.1	Confident	81.5	Confident	120 Å²	120	27 Å²	27	64%	0.642	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	38.7	-169.7	-62.5	-54	0	0	0	112.9	K1784 L2066 C2138 S2139 E2140	K1784-N2142 PolarHBondContact NZ-OD1 2.88Å; L2066-N2142 HydrophobicContact CD2-CB 4.05Å; C2138-N2142 PolarHBondContact O-N 2.69Å; S2139-N2142 WeakPolarHBondContact O-CA 3.44Å; S2139-N2142 PolarHBondContact O-N 2.96Å; E2140-N2142 VanDerWaalsContact C-N 3.28Å; E2140-N2142 PolarHBondContact O-N 3.25Å
2143	V	73.5	Confident	81.5	Confident	28.4 Å²	28.4	26.6 Å²	26.6	17%	0.172	14%	0.137	C	C	.	.	S	Bend	trans	-111	160.6	174.7	-173.8	0	0	0	0	109.1	L2093 C2138 F2141 T2145 C2211 P2213	L2093-V2143 HydrophobicContact CD1-CG2 4.2Å; C2138-V2143 PolarHBondContact O-N 3.07Å; C2138-V2143 VanDerWaalsContact O-N 3.1Å; F2141-V2143 VanDerWaalsContact C-N 3.26Å; F2141-V2143 HydrophobicContact CB-CG2 3.94Å; F2141-V2143 PolarHBondContact O-N 3.1Å; V2143-T2145 PolarHBondContact O-N 3Å; V2143-T2145 VanDerWaalsContact O-N 3.15Å; V2143-C2211 HydrophobicContact CB-CB 4.2Å; V2143-C2211 HydrophobicContact CG1-CB 3.83Å; V2143-P2213 HydrophobicContact CG1-CB 4.35Å
2144	S	71.1	Confident	81	Confident	21.2 Å²	21.2	29.9 Å²	29.9	15%	0.148	15%	0.154	C	C	.	.			trans	-50.3	123.4	174.4	172.5	0	0	0	0	111.5	T2147 Q2214	S2144-T2147 WeakPolarHBondContact CB-OG1 3.21Å; S2144-T2147 PolarHBondContact O-OG1 3.41Å; S2144-T2147 PolarHBondContact OG-OG1 3.05Å; S2144-Q2214 WeakPolarHBondContact OG-CG 3.32Å; S2144-Q2214 PolarHBondContact OG-NE2 3.24Å
2145	T	75.1	Confident	80.2	Confident	35.4 Å²	35.4	31.5 Å²	31.5	22%	0.217	16%	0.163	C	C	.	.	S	Bend	trans	-80.1	-52.4	-177.5	58.3	0	0	0	0	110.4	Q2135 S2139 V2143 T2147 A2148	Q2135-T2145 VanDerWaalsContact CG-O 3.28Å; Q2135-T2145 WeakPolarHBondContact CG-O 3.33Å; Q2135-T2145 WeakPolarHBondContact O-CB 3.11Å; Q2135-T2145 VanDerWaalsContact O-CG2 3.3Å; Q2135-T2145 WeakPolarHBondContact O-CG2 3.35Å; S2139-T2145 VanDerWaalsContact CB-CG2 3.46Å; V2143-T2145 PolarHBondContact O-N 3Å; V2143-T2145 VanDerWaalsContact O-N 3.15Å; T2145-T2147 VanDerWaalsContact C-N 3.32Å; T2145-T2147 PolarHBondContact O-N 2.98Å; T2145-A2148 VanDerWaalsContact O-CB 3.3Å; T2145-A2148 WeakPolarHBondContact O-CB 3.41Å; T2145-A2148 PolarHBondContact O-N 2.81Å
2146	L	71.7	Confident	79.4	Confident	20.4 Å²	20.4	34.5 Å²	34.5	11%	0.107	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-29.3	-41.8	164.9	-31.7	157	0	0	0	113.9	M1857 A2148 L2274 R2279 F2301	M1857-L2146 HydrophobicContact CE-CD1 3.46Å; M1857-L2146 VanDerWaalsContact CE-CD1 3.46Å; M1857-L2146 HydrophobicContact CE-CD2 3.55Å; M1857-L2146 HydrophobicContact CE-CG 3.99Å; M1857-L2146 HydrophobicContact SD-CD1 3.81Å; M1857-L2146 HydrophobicContact SD-CD2 3.62Å; M1857-L2146 HydrophobicContact SD-CG 3.91Å; L2146-A2148 VanDerWaalsContact C-N 3.34Å; L2146-A2148 PolarHBondContact O-N 2.97Å; L2146-L2274 HydrophobicContact CD1-CD1 4.02Å; L2146-L2274 HydrophobicContact CD1-CD2 4.01Å; L2146-L2274 HydrophobicContact CD2-CD1 4.09Å; L2146-R2279 VanDerWaalsContact C-NH2 3.33Å; L2146-R2279 PolarHBondContact O-NE 2.9Å; L2146-R2279 VanDerWaalsContact O-NE 3.17Å; L2146-R2279 PolarHBondContact O-NH1 3.22Å; L2146-R2279 VanDerWaalsContact O-NH1 3.09Å; L2146-R2279 PolarHBondContact O-NH2 2.96Å; L2146-F2301 HydrophobicContact CB-CD1 4.3Å; L2146-F2301 HydrophobicContact CB-CE1 3.78Å; L2146-F2301 VanDerWaalsContact CB-CE1 3.46Å; L2146-F2301 HydrophobicContact CB-CE2 4.19Å; L2146-F2301 HydrophobicContact CB-CZ 3.24Å; L2146-F2301 HydrophobicContact CD1-CD1 4.38Å; L2146-F2301 HydrophobicContact CD1-CE1 4.14Å; L2146-F2301 HydrophobicContact CD1-CE2 4.48Å; L2146-F2301 HydrophobicContact CD1-CZ 4.05Å; L2146-F2301 HydrophobicContact CG-CE1 4.44Å; L2146-F2301 HydrophobicContact CG-CZ 4.21Å; L2146-F2301 WeakPolarHBondContact O-CE1 3.19Å
2147	T	74.5	Confident	78.4	Confident	9 Å²	9	36.1 Å²	36.1	6%	0.055	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	16.8	-178	53.7	0	0	0	0	114.1	S2144 T2145 I2149 V2212 Q2214 F2301 L2325	S2144-T2147 WeakPolarHBondContact CB-OG1 3.21Å; S2144-T2147 PolarHBondContact O-OG1 3.41Å; S2144-T2147 PolarHBondContact OG-OG1 3.05Å; T2145-T2147 VanDerWaalsContact C-N 3.32Å; T2145-T2147 PolarHBondContact O-N 2.98Å; T2147-I2149 PolarHBondContact O-N 3.01Å; T2147-V2212 WeakPolarHBondContact CB-O 3.19Å; T2147-V2212 PolarHBondContact OG1-O 3.27Å; T2147-Q2214 HydrophobicContact CG2-CB 4.45Å; T2147-Q2214 HydrophobicContact CG2-CG 4.11Å; T2147-F2301 HydrophobicContact CG2-CE2 4.17Å; T2147-F2301 HydrophobicContact CG2-CZ 3.98Å; T2147-L2325 HydrophobicContact CG2-CD1 3.81Å
2148	A	82.9	Confident	77.1	Confident	1.8 Å²	1.8	39.6 Å²	39.6	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	129.8	176.3	0	0	0	0	0	111.8	A2134 Q2135 C2138 T2145 L2146 L2209 R2210	A2134-A2148 HydrophobicContact CB-CB 4Å; Q2135-A2148 HydrophobicContact CG-CB 4.13Å; C2138-A2148 HydrophobicContact CB-CB 4.46Å; C2138-A2148 VanDerWaalsContact SG-CB 3.51Å; T2145-A2148 VanDerWaalsContact O-CB 3.3Å; T2145-A2148 WeakPolarHBondContact O-CB 3.41Å; T2145-A2148 PolarHBondContact O-N 2.81Å; L2146-A2148 VanDerWaalsContact C-N 3.34Å; L2146-A2148 PolarHBondContact O-N 2.97Å; A2148-L2209 HydrophobicContact CB-CD1 4.39Å; A2148-R2210 WeakPolarHBondContact CA-O 3.39Å
2149	I	83.7	Confident	75.7	Confident	23.6 Å²	23.6	46.3 Å²	46.3	12%	0.121	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.5	178.7	-58.1	166	0	0	0	108.8	T2147 L2209 R2210 V2212 L2594 M2596	T2147-I2149 PolarHBondContact O-N 3.01Å; I2149-L2209 WeakPolarHBondContact O-CA 3.45Å; I2149-L2209 WeakPolarHBondContact O-CD1 3.46Å; I2149-R2210 HydrophobicContact CB-CB 4.4Å; I2149-R2210 HydrophobicContact CD1-CB 4.42Å; I2149-R2210 HydrophobicContact CD1-CG 4.35Å; I2149-R2210 PolarHBondContact N-O 3.15Å; I2149-R2210 PolarHBondContact O-N 3.03Å; I2149-V2212 HydrophobicContact CD1-CG2 3.91Å; I2149-L2594 HydrophobicContact CD1-CD2 3.39Å; I2149-M2596 HydrophobicContact CB-CE 4.06Å; I2149-M2596 HydrophobicContact CD1-CE 4.18Å; I2149-M2596 HydrophobicContact CG2-CE 3.83Å; I2149-M2596 HydrophobicContact CG2-SD 3.81Å
2150	V	87.2	Confident	74.6	Confident	16.4 Å²	16.4	47.5 Å²	47.5	10%	0.099	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.9	176.1	-177.6	0	0	0	0	110.5	F2129 A2134 F2152 F2208 L2209	F2129-V2150 HydrophobicContact CD1-CG1 3.87Å; F2129-V2150 HydrophobicContact CD1-CG2 3.97Å; F2129-V2150 HydrophobicContact CE1-CG1 4.46Å; F2129-V2150 HydrophobicContact CE1-CG2 4Å; A2134-V2150 HydrophobicContact CB-CG2 3.25Å; V2150-F2152 HydrophobicContact CG1-CE1 4.45Å; V2150-F2152 HydrophobicContact CG1-CE2 4.18Å; V2150-F2152 HydrophobicContact CG1-CZ 4.07Å; V2150-F2208 WeakPolarHBondContact CA-O 3.3Å; V2150-L2209 HydrophobicContact CG2-CD1 4.26Å
2151	R	85.7	Confident	73.4	Confident	112.2 Å²	112.2	49.1 Å²	49.1	42%	0.423	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.6	166.3	-68.7	-80.7	179.8	-118.2	7	110	F2208 M2596	R2151-F2208 PolarHBondContact N-O 3.25Å; R2151-F2208 WeakPolarHBondContact O-CA 3.31Å; R2151-F2208 WeakPolarHBondContact O-CB 3.31Å; R2151-F2208 PolarHBondContact O-N 3.25Å; R2151-M2596 HydrophobicContact CG-CB 4.35Å; R2151-M2596 HydrophobicContact CG-CG 4.45Å; R2151-M2596 HydrophobicContact CG-SD 3.58Å; R2151-M2596 VanDerWaalsContact CG-SD 3.58Å
2152	F	86.4	Confident	72.2	Confident	73.4 Å²	73.4	50.9 Å²	50.9	32%	0.322	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.3	172.3	-62.5	-76.9	0	0	0	109	D2126 F2129 V2150 D2205 F2206 A2207	D2126-F2152 WeakPolarHBondContact O-CE1 3.33Å; D2126-F2152 VanDerWaalsContact O-CZ 3.31Å; D2126-F2152 WeakPolarHBondContact O-CZ 3.32Å; F2129-F2152 HydrophobicContact CB-CE1 4.08Å; F2129-F2152 HydrophobicContact CB-CZ 3.95Å; F2129-F2152 WeakPolarHBondContact O-CZ 3.4Å; V2150-F2152 HydrophobicContact CG1-CE1 4.45Å; V2150-F2152 HydrophobicContact CG1-CE2 4.18Å; V2150-F2152 HydrophobicContact CG1-CZ 4.07Å; F2152-D2205 HydrophobicContact CB-CB 4.22Å; F2152-F2206 VanDerWaalsContact CA-O 3.32Å; F2152-F2206 WeakPolarHBondContact CA-O 3.34Å; F2152-A2207 HydrophobicContact CD1-CB 4.24Å; F2152-A2207 HydrophobicContact CE1-CB 3.89Å
2153	S	81	Confident	71.3	Confident	17.8 Å²	17.8	49.7 Å²	49.7	12%	0.124	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	149.5	-179.4	-170.8	0	0	0	0	112.3	L2155 K2204 F2206	S2153-L2155 VanDerWaalsContact C-N 3.31Å; S2153-L2155 WeakPolarHBondContact OG-CB 3.3Å; S2153-L2155 WeakPolarHBondContact OG-CG 3.29Å; S2153-L2155 PolarHBondContact OG-N 2.87Å; S2153-L2155 VanDerWaalsContact OG-N 3.15Å; S2153-K2204 CarbonylContact C-O 3.52Å; S2153-K2204 VanDerWaalsContact C-O 3.27Å; S2153-F2206 PolarHBondContact N-O 3.22Å; S2153-F2206 VanDerWaalsContact N-O 3.14Å; S2153-F2206 WeakPolarHBondContact O-CB 3.39Å; S2153-F2206 PolarHBondContact O-N 3.08Å; S2153-F2206 VanDerWaalsContact O-N 3.12Å
2154	N	78.3	Confident	70.3	Confident	69.2 Å²	69.2	56.1 Å²	56.1	37%	0.37	28%	0.277	S	S	.	.	S	Bend	trans	-74.5	29.8	169	70.7	-7.8	0	0	0	112.3	Y2156 K2204	N2154-Y2156 HydrophobicContact CB-CD2 3.65Å; N2154-Y2156 VanDerWaalsContact CB-CD2 3.43Å; N2154-Y2156 HydrophobicContact CB-CE2 3.68Å; N2154-Y2156 HydrophobicContact CB-CG 4.38Å; N2154-Y2156 PolarHBondContact O-N 2.95Å; N2154-Y2156 VanDerWaalsContact O-N 3.13Å; N2154-K2204 WeakPolarHBondContact CA-O 3.44Å; N2154-K2204 HydrophobicContact CB-CB 3.87Å; N2154-K2204 HydrophobicContact CB-CD 4.34Å; N2154-K2204 WeakPolarHBondContact CB-O 3.25Å; N2154-K2204 PolarHBondContact N-O 3.1Å
2155	L	71.1	Confident	69.5	Low	35.2 Å²	35.2	59 Å²	59	18%	0.184	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	28.9	-178.9	-76.5	163.6	0	0	0	113	F2110 I2123 S2153 D2157 H2158 Y2159 I2169 F2206 L2599	F2110-L2155 HydrophobicContact CB-CD1 4.32Å; F2110-L2155 HydrophobicContact CD1-CD1 3.72Å; F2110-L2155 HydrophobicContact CD1-CD2 3.81Å; F2110-L2155 HydrophobicContact CD2-CD1 3.67Å; F2110-L2155 HydrophobicContact CD2-CD2 3.82Å; F2110-L2155 HydrophobicContact CD2-CG 4.03Å; F2110-L2155 HydrophobicContact CE1-CD1 3.86Å; F2110-L2155 HydrophobicContact CE1-CD2 3.7Å; F2110-L2155 HydrophobicContact CE1-CG 4.33Å; F2110-L2155 HydrophobicContact CE2-CD1 3.82Å; F2110-L2155 HydrophobicContact CE2-CD2 3.73Å; F2110-L2155 HydrophobicContact CE2-CG 3.74Å; F2110-L2155 HydrophobicContact CG-CD1 3.62Å; F2110-L2155 HydrophobicContact CG-CD2 3.87Å; F2110-L2155 HydrophobicContact CG-CG 4.45Å; F2110-L2155 HydrophobicContact CZ-CB 4.39Å; F2110-L2155 HydrophobicContact CZ-CD1 3.91Å; F2110-L2155 HydrophobicContact CZ-CD2 3.67Å; F2110-L2155 HydrophobicContact CZ-CG 3.88Å; I2123-L2155 HydrophobicContact CD1-CD1 3.76Å; I2123-L2155 HydrophobicContact CD1-CD2 4.12Å; S2153-L2155 VanDerWaalsContact C-N 3.31Å; S2153-L2155 WeakPolarHBondContact OG-CB 3.3Å; S2153-L2155 WeakPolarHBondContact OG-CG 3.29Å; S2153-L2155 PolarHBondContact OG-N 2.87Å; S2153-L2155 VanDerWaalsContact OG-N 3.15Å; L2155-D2157 VanDerWaalsContact C-N 3.28Å; L2155-D2157 PolarHBondContact O-N 2.99Å; L2155-D2157 VanDerWaalsContact O-N 3.15Å; L2155-H2158 HydrophobicContact CB-CB 4.48Å; L2155-H2158 HydrophobicContact CD2-CB 3.93Å; L2155-H2158 WeakPolarHBondContact O-CB 3.33Å; L2155-H2158 PolarHBondContact O-N 2.82Å; L2155-H2158 VanDerWaalsContact O-N 3.1Å; L2155-Y2159 HydrophobicContact CB-CD2 3.82Å; L2155-Y2159 HydrophobicContact CB-CE2 3.84Å; L2155-Y2159 HydrophobicContact CD1-CE2 4Å; L2155-Y2159 WeakPolarHBondContact O-CD2 3.19Å; L2155-Y2159 PolarHBondContact O-N 3.29Å; L2155-Y2159 VanDerWaalsContact O-N 3.14Å; L2155-I2169 HydrophobicContact CD1-CD1 4.02Å; L2155-F2206 HydrophobicContact CB-CD2 4.16Å; L2155-F2206 HydrophobicContact CB-CE2 4.4Å; L2155-F2206 HydrophobicContact CD1-CD2 4.07Å; L2155-F2206 HydrophobicContact CD1-CG 4.46Å; L2155-L2599 HydrophobicContact CD1-CD2 3.86Å; L2155-L2599 HydrophobicContact CD1-CG 4.35Å
2156	Y	67.3	Low	68.4	Low	74.8 Å²	74.8	62.5 Å²	62.5	29%	0.293	31%	0.307	S	S	.	.	H	α-helix	trans	-54.1	-36.7	176	-147.1	-89.6	0	0	0	112.3	I2101 F2110 Q2112 I2123 N2154 H2158 Y2159 V2160 Y2161 F2163 I2169 F2206	I2101-Y2156 HydrophobicContact CD1-CE2 3.9Å; I2101-Y2156 WeakPolarHBondContact CD1-OH 3.36Å; I2101-Y2156 HydrophobicContact CG1-CE2 4.18Å; I2101-Y2156 HydrophobicContact CG2-CE2 4.14Å; F2110-Y2156 HydrophobicContact CB-CD2 3.77Å; F2110-Y2156 HydrophobicContact CB-CE2 4.08Å; F2110-Y2156 AromaticContact CD1-CD2 3.98Å; F2110-Y2156 HydrophobicContact CD1-CD2 4.08Å; F2110-Y2156 AromaticContact CD2-CD2 3.83Å; F2110-Y2156 HydrophobicContact CD2-CD2 3.9Å; F2110-Y2156 HydrophobicContact CE2-CD2 4.34Å; F2110-Y2156 AromaticContact CG-CD2 3.58Å; F2110-Y2156 HydrophobicContact CG-CD2 3.73Å; F2110-Y2156 HydrophobicContact CG-CE2 4.35Å; Q2112-Y2156 PolarHBondContact NE2-OH 2.9Å; Q2112-Y2156 VanDerWaalsContact NE2-OH 3.16Å; I2123-Y2156 HydrophobicContact CD1-CD1 4.15Å; I2123-Y2156 HydrophobicContact CD1-CD2 3.27Å; I2123-Y2156 HydrophobicContact CD1-CE1 4.21Å; I2123-Y2156 HydrophobicContact CD1-CE2 3.34Å; I2123-Y2156 HydrophobicContact CD1-CG 3.7Å; I2123-Y2156 VanDerWaalsContact CD1-CG 3.44Å; I2123-Y2156 HydrophobicContact CG1-CD2 4.47Å; I2123-Y2156 HydrophobicContact CG1-CE2 4.44Å; N2154-Y2156 HydrophobicContact CB-CD2 3.65Å; N2154-Y2156 VanDerWaalsContact CB-CD2 3.43Å; N2154-Y2156 HydrophobicContact CB-CE2 3.68Å; N2154-Y2156 HydrophobicContact CB-CG 4.38Å; N2154-Y2156 PolarHBondContact O-N 2.95Å; N2154-Y2156 VanDerWaalsContact O-N 3.13Å; Y2156-H2158 VanDerWaalsContact C-N 3.28Å; Y2156-H2158 PolarHBondContact O-N 2.94Å; Y2156-Y2159 WeakPolarHBondContact O-CB 3.44Å; Y2156-Y2159 PolarHBondContact O-N 3.09Å; Y2156-V2160 HydrophobicContact CD2-CG2 3.82Å; Y2156-V2160 HydrophobicContact CE2-CB 4.31Å; Y2156-V2160 HydrophobicContact CE2-CG2 3.55Å; Y2156-V2160 VanDerWaalsContact CE2-CG2 3.46Å; Y2156-V2160 HydrophobicContact CG-CG2 4.47Å; Y2156-V2160 WeakPolarHBondContact O-CB 3.49Å; Y2156-V2160 WeakPolarHBondContact O-CG2 3.36Å; Y2156-V2160 PolarHBondContact O-N 2.87Å; Y2156-Y2161 HydrophobicContact CD1-CE2 4.43Å; Y2156-Y2161 AromaticContact CE1-CE2 3.79Å; Y2156-Y2161 HydrophobicContact CE1-CE2 3.79Å; Y2156-Y2161 PolarHBondContact OH-OH 3.23Å; Y2156-F2163 HydrophobicContact CE1-CD2 4.49Å; Y2156-F2163 HydrophobicContact CE2-CE2 4.3Å; Y2156-I2169 HydrophobicContact CD1-CD1 3.76Å; Y2156-I2169 HydrophobicContact CE1-CD1 3.77Å; Y2156-I2169 HydrophobicContact CE1-CG1 4.49Å; Y2156-F2206 VanDerWaalsContact CB-CD2 3.43Å; Y2156-F2206 HydrophobicContact CD1-CE2 4.45Å; Y2156-F2206 HydrophobicContact CG-CD2 4.27Å; Y2156-F2206 HydrophobicContact CG-CE2 4.26Å
2157	D	62.8	Low	67.6	Low	33 Å²	33	68.9 Å²	68.9	18%	0.176	34%	0.341	C	S	.	.	H	α-helix	trans	-71.8	-16.4	-178.1	-50.8	-17.7	0	0	0	113.8	L2155 Y2159 V2160 Y2161 G2162 F2163 L2166 K2170 K2204	L2155-D2157 VanDerWaalsContact C-N 3.28Å; L2155-D2157 PolarHBondContact O-N 2.99Å; L2155-D2157 VanDerWaalsContact O-N 3.15Å; D2157-Y2159 VanDerWaalsContact C-N 3.31Å; D2157-Y2159 PolarHBondContact O-N 3.29Å; D2157-V2160 WeakPolarHBondContact O-CB 3.21Å; D2157-V2160 PolarHBondContact O-N 2.94Å; D2157-Y2161 HydrophobicContact CB-CD2 4.01Å; D2157-Y2161 HydrophobicContact CB-CE2 3.77Å; D2157-Y2161 WeakPolarHBondContact O-CA 3.27Å; D2157-Y2161 WeakPolarHBondContact O-CB 3.48Å; D2157-Y2161 VanDerWaalsContact O-CD2 3.22Å; D2157-Y2161 WeakPolarHBondContact O-CD2 3.23Å; D2157-Y2161 PolarHBondContact O-N 3.09Å; D2157-Y2161 VanDerWaalsContact O-N 3.13Å; D2157-G2162 PolarHBondContact O-N 2.85Å; D2157-F2163 CarbonylContact C-O 3.49Å; D2157-F2163 WeakPolarHBondContact CB-O 3.49Å; D2157-L2166 HydrophobicContact CB-CD1 3.95Å; D2157-L2166 HydrophobicContact CB-CD2 4.24Å; D2157-L2166 HydrophobicContact CB-CG 4.25Å; D2157-K2170 WeakPolarHBondContact OD1-CE 3.37Å; D2157-K2170 IonicContact OD1-NZ 3.24Å; D2157-K2170 PolarHBondContact OD1-NZ 2.82Å; D2157-K2170 IonicContact OD2-NZ 2.71Å; D2157-K2170 PolarHBondContact OD2-NZ 2.8Å; D2157-K2204 IonicContact OD2-NZ 3.82Å; D2157-K2204 PolarHBondContact OD2-NZ 3.24Å
2158	H	60.3	Low	66.7	Low	74.2 Å²	74.2	72.6 Å²	72.6	34%	0.344	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-29.6	-179.8	-159.7	78.8	0	0	0	112.5	L2155 Y2156 V2160 G2162 F2163	L2155-H2158 HydrophobicContact CB-CB 4.48Å; L2155-H2158 HydrophobicContact CD2-CB 3.93Å; L2155-H2158 WeakPolarHBondContact O-CB 3.33Å; L2155-H2158 PolarHBondContact O-N 2.82Å; L2155-H2158 VanDerWaalsContact O-N 3.1Å; Y2156-H2158 VanDerWaalsContact C-N 3.28Å; Y2156-H2158 PolarHBondContact O-N 2.94Å; H2158-V2160 VanDerWaalsContact C-N 3.26Å; H2158-V2160 PolarHBondContact O-N 3.26Å; H2158-G2162 WeakPolarHBondContact O-CA 3.31Å; H2158-G2162 PolarHBondContact O-N 2.92Å; H2158-F2163 WeakPolarHBondContact CE1-CB 3.36Å; H2158-F2163 PolarHBondContact CE1-O 2.84Å; H2158-F2163 WeakPolarHBondContact ND1-CB 3.12Å; H2158-F2163 PolarHBondContact NE2-O 2.66Å
2159	Y	57.5	Low	65.6	Low	138.8 Å²	138.8	76.7 Å²	76.7	54%	0.544	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-19.3	175.7	-75.6	-82.6	0	0	0	114.5	G2089 F2110 L2155 Y2156 D2157 L2166 L2597 N2598	G2089-Y2159 PolarHBondContact N-O 2.66Å; G2089-Y2159 VanDerWaalsContact N-O 3.11Å; F2110-Y2159 HydrophobicContact CE2-CD2 4.33Å; F2110-Y2159 HydrophobicContact CE2-CG 4.37Å; L2155-Y2159 HydrophobicContact CB-CD2 3.82Å; L2155-Y2159 HydrophobicContact CB-CE2 3.84Å; L2155-Y2159 HydrophobicContact CD1-CE2 4Å; L2155-Y2159 WeakPolarHBondContact O-CD2 3.19Å; L2155-Y2159 PolarHBondContact O-N 3.29Å; L2155-Y2159 VanDerWaalsContact O-N 3.14Å; Y2156-Y2159 WeakPolarHBondContact O-CB 3.44Å; Y2156-Y2159 PolarHBondContact O-N 3.09Å; D2157-Y2159 VanDerWaalsContact C-N 3.31Å; D2157-Y2159 PolarHBondContact O-N 3.29Å; Y2159-L2166 HydrophobicContact CE2-CD1 4.12Å; Y2159-L2597 HydrophobicContact CD1-CD2 4.09Å; Y2159-L2597 HydrophobicContact CD2-CD2 3.71Å; Y2159-L2597 HydrophobicContact CE1-CD2 4.05Å; Y2159-L2597 HydrophobicContact CE2-CB 4.04Å; Y2159-L2597 HydrophobicContact CE2-CD2 3.65Å; Y2159-L2597 HydrophobicContact CE2-CG 4.42Å; Y2159-L2597 HydrophobicContact CG-CD2 3.94Å; Y2159-L2597 WeakPolarHBondContact OH-CA 3.47Å; Y2159-L2597 PolarHBondContact OH-O 3.06Å; Y2159-N2598 PolarHBondContact OH-ND2 2.97Å
2160	V	57.4	Low	64.6	Low	52.8 Å²	52.8	80.7 Å²	80.7	32%	0.32	40%	0.398	S	S	.	.	H	α-helix	trans	-95.5	-30.1	-178.4	-179.4	0	0	0	0	112.5	I2088 G2089 I2101 F2110 Y2156 D2157 H2158	I2088-V2160 CarbonylContact C-O 3.59Å; I2088-V2160 WeakPolarHBondContact CA-O 3.23Å; I2088-V2160 WeakPolarHBondContact CB-O 3.44Å; I2088-V2160 HydrophobicContact CG1-CB 4.44Å; I2088-V2160 HydrophobicContact CG1-CG1 3.9Å; I2088-V2160 VanDerWaalsContact CG1-O 3.28Å; I2088-V2160 WeakPolarHBondContact CG1-O 3.21Å; I2088-V2160 WeakPolarHBondContact CG2-O 3.36Å; G2089-V2160 VanDerWaalsContact CA-O 3.3Å; G2089-V2160 WeakPolarHBondContact CA-O 3.46Å; G2089-V2160 PolarHBondContact N-O 3.07Å; I2101-V2160 HydrophobicContact CD1-CG1 4.04Å; I2101-V2160 HydrophobicContact CD1-CG2 4.08Å; I2101-V2160 HydrophobicContact CG1-CG1 4.47Å; I2101-V2160 HydrophobicContact CG1-CG2 4.2Å; I2101-V2160 HydrophobicContact CG2-CG2 3.99Å; F2110-V2160 HydrophobicContact CD2-CG2 4.42Å; Y2156-V2160 HydrophobicContact CD2-CG2 3.82Å; Y2156-V2160 HydrophobicContact CE2-CB 4.31Å; Y2156-V2160 HydrophobicContact CE2-CG2 3.55Å; Y2156-V2160 VanDerWaalsContact CE2-CG2 3.46Å; Y2156-V2160 HydrophobicContact CG-CG2 4.47Å; Y2156-V2160 WeakPolarHBondContact O-CB 3.49Å; Y2156-V2160 WeakPolarHBondContact O-CG2 3.36Å; Y2156-V2160 PolarHBondContact O-N 2.87Å; D2157-V2160 WeakPolarHBondContact O-CB 3.21Å; D2157-V2160 PolarHBondContact O-N 2.94Å; H2158-V2160 VanDerWaalsContact C-N 3.26Å; H2158-V2160 PolarHBondContact O-N 3.26Å
2161	Y	58.6	Low	64.2	Low	58.4 Å²	58.4	83.3 Å²	83.3	23%	0.229	41%	0.409	C	S	.	.	H	α-helix	trans	-111.5	-3.6	-174.3	-56	-63.2	0	0	0	115.5	I2071 S2087 I2088 G2089 G2102 E2104 F2110 Y2156 D2157 F2163 N2168	I2071-Y2161 HydrophobicContact CD1-CD1 4.35Å; S2087-Y2161 VanDerWaalsContact O-CD1 3.25Å; S2087-Y2161 WeakPolarHBondContact O-CD1 3.34Å; I2088-Y2161 HydrophobicContact CG2-CD1 4.43Å; G2089-Y2161 WeakPolarHBondContact CA-O 3.43Å; G2089-Y2161 PolarHBondContact N-O 3.16Å; G2102-Y2161 VanDerWaalsContact CA-CZ 3.46Å; G2102-Y2161 WeakPolarHBondContact O-CE2 3.42Å; G2102-Y2161 VanDerWaalsContact O-CZ 3.29Å; G2102-Y2161 PolarHBondContact O-OH 2.87Å; E2104-Y2161 WeakPolarHBondContact CG-OH 3.47Å; E2104-Y2161 PolarHBondContact N-OH 3.14Å; F2110-Y2161 AromaticContact CE2-CE2 3.9Å; F2110-Y2161 HydrophobicContact CE2-CE2 3.9Å; Y2156-Y2161 HydrophobicContact CD1-CE2 4.43Å; Y2156-Y2161 AromaticContact CE1-CE2 3.79Å; Y2156-Y2161 HydrophobicContact CE1-CE2 3.79Å; Y2156-Y2161 PolarHBondContact OH-OH 3.23Å; D2157-Y2161 HydrophobicContact CB-CD2 4.01Å; D2157-Y2161 HydrophobicContact CB-CE2 3.77Å; D2157-Y2161 WeakPolarHBondContact O-CA 3.27Å; D2157-Y2161 WeakPolarHBondContact O-CB 3.48Å; D2157-Y2161 VanDerWaalsContact O-CD2 3.22Å; D2157-Y2161 WeakPolarHBondContact O-CD2 3.23Å; D2157-Y2161 PolarHBondContact O-N 3.09Å; D2157-Y2161 VanDerWaalsContact O-N 3.13Å; Y2161-F2163 VanDerWaalsContact C-N 3.3Å; Y2161-F2163 VanDerWaalsContact CB-CD2 3.48Å; Y2161-F2163 HydrophobicContact CG-CE2 4.31Å; Y2161-F2163 WeakPolarHBondContact O-CD1 3.36Å; Y2161-F2163 VanDerWaalsContact O-CE1 3.27Å; Y2161-F2163 WeakPolarHBondContact O-CE1 3.34Å; Y2161-F2163 PolarHBondContact O-N 3.03Å; Y2161-N2168 PolarHBondContact OH-ND2 3.15Å
2162	G	54.3	Low	64	Low	52.6 Å²	52.6	78.8 Å²	78.8	54%	0.542	39%	0.393	S	S	.	.	S	Bend	trans	77.2	12.9	171.8	0	0	0	0	0	115.8	D2157 H2158	D2157-G2162 PolarHBondContact O-N 2.85Å; H2158-G2162 WeakPolarHBondContact O-CA 3.31Å; H2158-G2162 PolarHBondContact O-N 2.92Å
2163	F	57.4	Low	64	Low	94.4 Å²	94.4	76.6 Å²	76.6	41%	0.414	38%	0.382	S	S	.	.			trans	-102.4	150.5	175.9	-29	-78.4	0	0	0	111.4	I2101 Y2156 D2157 H2158 Y2161 N2165	I2101-F2163 HydrophobicContact CB-CE2 4.49Å; I2101-F2163 HydrophobicContact CB-CZ 3.82Å; I2101-F2163 HydrophobicContact CD1-CE1 3.57Å; I2101-F2163 HydrophobicContact CD1-CE2 3.86Å; I2101-F2163 HydrophobicContact CD1-CZ 3.74Å; I2101-F2163 HydrophobicContact CG1-CZ 4.02Å; I2101-F2163 HydrophobicContact CG2-CZ 4.24Å; Y2156-F2163 HydrophobicContact CE1-CD2 4.49Å; Y2156-F2163 HydrophobicContact CE2-CE2 4.3Å; D2157-F2163 CarbonylContact C-O 3.49Å; D2157-F2163 WeakPolarHBondContact CB-O 3.49Å; H2158-F2163 WeakPolarHBondContact CE1-CB 3.36Å; H2158-F2163 PolarHBondContact CE1-O 2.84Å; H2158-F2163 WeakPolarHBondContact ND1-CB 3.12Å; H2158-F2163 PolarHBondContact NE2-O 2.66Å; Y2161-F2163 VanDerWaalsContact C-N 3.3Å; Y2161-F2163 VanDerWaalsContact CB-CD2 3.48Å; Y2161-F2163 HydrophobicContact CG-CE2 4.31Å; Y2161-F2163 WeakPolarHBondContact O-CD1 3.36Å; Y2161-F2163 VanDerWaalsContact O-CE1 3.27Å; Y2161-F2163 WeakPolarHBondContact O-CE1 3.34Å; Y2161-F2163 PolarHBondContact O-N 3.03Å; F2163-N2165 HydrophobicContact CD2-CB 3.89Å; F2163-N2165 HydrophobicContact CE2-CB 3.61Å; F2163-N2165 VanDerWaalsContact CE2-CB 3.49Å; F2163-N2165 HydrophobicContact CZ-CB 4.28Å; F2163-N2165 PolarHBondContact O-N 3.09Å
2164	Q	52.9	Low	64.1	Low	164 Å²	164	79.7 Å²	79.7	77%	0.766	40%	0.396	S	S	*	.			trans	-69.4	113.9	176.3	-72	-178.3	-13	0	0	110.7	L2166	Q2164-L2166 PolarHBondContact O-N 3.32Å
2165	N	53.6	Low	64.3	Low	81.6 Å²	81.6	78.5 Å²	78.5	44%	0.436	39%	0.388	S	S	.	.			trans	-25.8	117.7	169	-155.7	-11.3	0	0	0	115.4	F2163 L2167 N2168	F2163-N2165 HydrophobicContact CD2-CB 3.89Å; F2163-N2165 HydrophobicContact CE2-CB 3.61Å; F2163-N2165 VanDerWaalsContact CE2-CB 3.49Å; F2163-N2165 HydrophobicContact CZ-CB 4.28Å; F2163-N2165 PolarHBondContact O-N 3.09Å; N2165-L2167 PolarHBondContact O-N 3.09Å; N2165-L2167 VanDerWaalsContact O-N 3.08Å; N2165-L2167 WeakPolarHBondContact OD1-CB 3.48Å; N2165-L2167 PolarHBondContact OD1-N 3.43Å; N2165-L2167 VanDerWaalsContact OD1-N 3.08Å; N2165-N2168 PolarHBondContact ND2-OD1 3.39Å; N2165-N2168 PolarHBondContact O-N 2.98Å
2166	L	52.7	Low	64.9	Low	108.4 Å²	108.4	76.9 Å²	76.9	57%	0.568	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-62.1	-22.4	178.8	-85.1	139.9	0	0	0	114.8	D2157 Y2159 Q2164 N2168 I2169 K2204	D2157-L2166 HydrophobicContact CB-CD1 3.95Å; D2157-L2166 HydrophobicContact CB-CD2 4.24Å; D2157-L2166 HydrophobicContact CB-CG 4.25Å; Y2159-L2166 HydrophobicContact CE2-CD1 4.12Å; Q2164-L2166 PolarHBondContact O-N 3.32Å; L2166-N2168 PolarHBondContact O-N 3.01Å; L2166-N2168 VanDerWaalsContact O-N 3.08Å; L2166-I2169 HydrophobicContact CD2-CD1 4.33Å; L2166-K2204 HydrophobicContact CD2-CD 4.33Å; L2166-K2204 VanDerWaalsContact CD2-NZ 3.26Å
2167	L	53.3	Low	65.7	Low	155.4 Å²	155.4	74.3 Å²	74.3	81%	0.814	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-77.1	-10.8	-177.7	-69.7	166.7	0	0	0	113.8	N2165 I2169	N2165-L2167 PolarHBondContact O-N 3.09Å; N2165-L2167 VanDerWaalsContact O-N 3.08Å; N2165-L2167 WeakPolarHBondContact OD1-CB 3.48Å; N2165-L2167 PolarHBondContact OD1-N 3.43Å; N2165-L2167 VanDerWaalsContact OD1-N 3.08Å; L2167-I2169 PolarHBondContact O-N 2.75Å
2168	N	56.5	Low	66.4	Low	86 Å²	86	73.4 Å²	73.4	46%	0.46	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-105.2	55.9	-175.5	-97.3	-5.9	0	0	0	113.9	Y2161 N2165 L2166 K2170	Y2161-N2168 PolarHBondContact OH-ND2 3.15Å; N2165-N2168 PolarHBondContact ND2-OD1 3.39Å; N2165-N2168 PolarHBondContact O-N 2.98Å; L2166-N2168 PolarHBondContact O-N 3.01Å; L2166-N2168 VanDerWaalsContact O-N 3.08Å; N2168-K2170 VanDerWaalsContact C-N 3.29Å; N2168-K2170 PolarHBondContact O-N 2.92Å; N2168-K2170 VanDerWaalsContact O-N 3.16Å; N2168-K2170 VanDerWaalsContact OD1-CE 3.27Å; N2168-K2170 WeakPolarHBondContact OD1-CE 3.49Å
2169	I	59.1	Low	67.4	Low	89 Å²	89	70 Å²	70	46%	0.456	35%	0.35	S	S	.	.			trans	-69.7	96.3	167.8	-56.5	176.3	0	0	0	108.1	I2123 L2155 Y2156 L2166 L2167 H2171 I2172 L2201 F2206	I2123-I2169 HydrophobicContact CG2-CG2 4.26Å; L2155-I2169 HydrophobicContact CD1-CD1 4.02Å; Y2156-I2169 HydrophobicContact CD1-CD1 3.76Å; Y2156-I2169 HydrophobicContact CE1-CD1 3.77Å; Y2156-I2169 HydrophobicContact CE1-CG1 4.49Å; L2166-I2169 HydrophobicContact CD2-CD1 4.33Å; L2167-I2169 PolarHBondContact O-N 2.75Å; I2169-H2171 VanDerWaalsContact C-N 3.3Å; I2169-H2171 PolarHBondContact O-N 2.89Å; I2169-I2172 HydrophobicContact CG2-CG1 4.38Å; I2169-L2201 HydrophobicContact CG2-CD1 4.35Å; I2169-L2201 HydrophobicContact CG2-CD2 4.45Å; I2169-F2206 HydrophobicContact CD1-CZ 4.19Å
2170	K	64.1	Low	67.9	Low	106.2 Å²	106.2	65.4 Å²	65.4	46%	0.462	34%	0.335	S	S	.	.			trans	-88.5	31	178.6	-65.6	-179.1	-178.3	179.5	0	111.7	D2157 N2168 I2172 L2201 F2206	D2157-K2170 WeakPolarHBondContact OD1-CE 3.37Å; D2157-K2170 IonicContact OD1-NZ 3.24Å; D2157-K2170 PolarHBondContact OD1-NZ 2.82Å; D2157-K2170 IonicContact OD2-NZ 2.71Å; D2157-K2170 PolarHBondContact OD2-NZ 2.8Å; N2168-K2170 VanDerWaalsContact C-N 3.29Å; N2168-K2170 PolarHBondContact O-N 2.92Å; N2168-K2170 VanDerWaalsContact O-N 3.16Å; N2168-K2170 VanDerWaalsContact OD1-CE 3.27Å; N2168-K2170 WeakPolarHBondContact OD1-CE 3.49Å; K2170-I2172 PolarHBondContact O-N 3.24Å; K2170-L2201 HydrophobicContact CB-CD1 4.19Å; K2170-L2201 HydrophobicContact CD-CD1 4.41Å; K2170-F2206 HydrophobicContact CD-CE1 4.24Å; K2170-F2206 HydrophobicContact CD-CE2 4.3Å; K2170-F2206 HydrophobicContact CD-CZ 3.62Å; K2170-F2206 VanDerWaalsContact NZ-CE2 3.3Å
2171	H	77.6	Confident	68.6	Low	72.6 Å²	72.6	63 Å²	63	34%	0.336	32%	0.32	S	S	.	.			trans	-104.4	103.1	-174.9	-60.2	-62.7	0	0	0	110.8	N2120 Y2122 I2123 I2169	N2120-H2171 PolarHBondContact ND2-NE2 2.83Å; Y2122-H2171 CarbonylContact C-O 3.59Å; Y2122-H2171 WeakPolarHBondContact CA-O 3.31Å; Y2122-H2171 HydrophobicContact CD1-CB 3.88Å; Y2122-H2171 HydrophobicContact CD2-CB 3.79Å; Y2122-H2171 VanDerWaalsContact CD2-CB 3.48Å; Y2122-H2171 HydrophobicContact CE1-CB 3.87Å; Y2122-H2171 VanDerWaalsContact CE1-CB 3.43Å; Y2122-H2171 AromaticContact CE1-CG 3.72Å; Y2122-H2171 AromaticContact CE1-ND1 3.7Å; Y2122-H2171 HydrophobicContact CE2-CB 3.77Å; Y2122-H2171 VanDerWaalsContact CE2-CB 3.49Å; Y2122-H2171 AromaticContact CE2-CD2 3.71Å; Y2122-H2171 AromaticContact CE2-CG 3.73Å; Y2122-H2171 AromaticContact CE2-ND1 3.31Å; Y2122-H2171 VanDerWaalsContact CE2-ND1 3.31Å; Y2122-H2171 WeakPolarHBondContact CE2-ND1 3.43Å; Y2122-H2171 HydrophobicContact CG-CB 3.81Å; Y2122-H2171 AromaticContact CZ-CD2 3.59Å; Y2122-H2171 AromaticContact CZ-CG 3.88Å; Y2122-H2171 AromaticContact CZ-ND1 3.5Å; Y2122-H2171 PolarHBondContact OH-CD2 3.4Å; Y2122-H2171 PolarHBondContact OH-ND1 2.99Å; Y2122-H2171 VanDerWaalsContact OH-ND1 3.13Å; I2123-H2171 WeakPolarHBondContact CG2-O 3.21Å; I2123-H2171 PolarHBondContact N-O 3.21Å; I2123-H2171 VanDerWaalsContact N-O 3.15Å; I2169-H2171 VanDerWaalsContact C-N 3.3Å; I2169-H2171 PolarHBondContact O-N 2.89Å
2172	I	82.6	Confident	69.1	Low	16.4 Å²	16.4	64.5 Å²	64.5	8%	0.084	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-108	138	178.8	-56.3	152.4	0	0	0	109.5	Y2122 I2123 C2125 I2169 K2170 M2174 A2197 L2201	Y2122-I2172 VanDerWaalsContact CD1-C 3.45Å; Y2122-I2172 WeakPolarHBondContact CD1-O 3.4Å; Y2122-I2172 VanDerWaalsContact CD2-C 3.49Å; Y2122-I2172 WeakPolarHBondContact CD2-O 3.33Å; I2123-I2172 HydrophobicContact CG2-CG1 4.29Å; I2123-I2172 WeakPolarHBondContact O-CA 3.26Å; I2123-I2172 WeakPolarHBondContact O-CG2 3.5Å; C2125-I2172 HydrophobicContact CB-CG2 3.89Å; C2125-I2172 VanDerWaalsContact CB-CG2 3.5Å; I2169-I2172 HydrophobicContact CG2-CG1 4.38Å; K2170-I2172 PolarHBondContact O-N 3.24Å; I2172-M2174 HydrophobicContact CB-SD 4.41Å; I2172-M2174 HydrophobicContact CG2-SD 4.03Å; I2172-M2174 WeakPolarHBondContact O-CG 3.32Å; I2172-M2174 PolarHBondContact O-N 3.18Å; I2172-M2174 VanDerWaalsContact O-N 3.15Å; I2172-A2197 HydrophobicContact CD1-CB 4.5Å; I2172-A2197 WeakPolarHBondContact CD1-O 3.28Å; I2172-A2197 HydrophobicContact CG2-CB 4.15Å; I2172-L2201 HydrophobicContact CD1-CB 3.59Å; I2172-L2201 VanDerWaalsContact CD1-CB 3.43Å; I2172-L2201 HydrophobicContact CD1-CD1 3.74Å; I2172-L2201 HydrophobicContact CD1-CD2 3.62Å; I2172-L2201 VanDerWaalsContact CD1-CD2 3.41Å; I2172-L2201 HydrophobicContact CD1-CG 3.75Å; I2172-L2201 HydrophobicContact CG1-CB 4.29Å; I2172-L2201 HydrophobicContact CG1-CD1 4.18Å; I2172-L2201 HydrophobicContact CG1-CD2 3.92Å; I2172-L2201 HydrophobicContact CG1-CG 4.21Å
2173	W	86.4	Confident	69.8	Low	27.2 Å²	27.2	63.2 Å²	63.2	10%	0.103	31%	0.308	C	S	.	.			trans	-66.2	117.8	173	-165.2	-111.7	0	0	0	110.8	F2113 N2115 Y2122 I2123 E2175 Y2177 N2194	F2113-W2173 HydrophobicContact CB-CD2 3.49Å; F2113-W2173 VanDerWaalsContact CB-CD2 3.47Å; F2113-W2173 HydrophobicContact CB-CE3 3.41Å; F2113-W2173 VanDerWaalsContact CB-CE3 3.45Å; F2113-W2173 HydrophobicContact CB-CG 4.07Å; F2113-W2173 HydrophobicContact CB-CH2 4.04Å; F2113-W2173 HydrophobicContact CB-CZ2 4.16Å; F2113-W2173 HydrophobicContact CB-CZ3 3.67Å; F2113-W2173 HydrophobicContact CD2-CB 3.88Å; F2113-W2173 AromaticContact CD2-CD1 3.43Å; F2113-W2173 VanDerWaalsContact CD2-CD1 3.45Å; F2113-W2173 AromaticContact CD2-CD2 3.73Å; F2113-W2173 HydrophobicContact CD2-CD2 3.73Å; F2113-W2173 AromaticContact CD2-CE2 3.89Å; F2113-W2173 HydrophobicContact CD2-CE3 4.45Å; F2113-W2173 AromaticContact CD2-CG 3.4Å; F2113-W2173 HydrophobicContact CD2-CG 3.4Å; F2113-W2173 VanDerWaalsContact CD2-CG 3.44Å; F2113-W2173 AromaticContact CD2-NE1 3.78Å; F2113-W2173 AromaticContact CE2-CD1 3.85Å; F2113-W2173 HydrophobicContact CE2-CG 4.22Å; F2113-W2173 AromaticContact CG-CD2 3.85Å; F2113-W2173 HydrophobicContact CG-CD2 3.89Å; F2113-W2173 AromaticContact CG-CE2 3.88Å; F2113-W2173 HydrophobicContact CG-CE3 4.31Å; F2113-W2173 HydrophobicContact CG-CG 4.07Å; F2113-W2173 HydrophobicContact CG-CZ2 4.38Å; N2115-W2173 HydrophobicContact CB-CZ3 4.09Å; Y2122-W2173 HydrophobicContact CD1-CE3 4.34Å; Y2122-W2173 HydrophobicContact CD2-CE3 4.34Å; Y2122-W2173 HydrophobicContact CG-CE3 4.35Å; I2123-W2173 WeakPolarHBondContact O-CB 3.34Å; I2123-W2173 PolarHBondContact O-N 3.06Å; W2173-E2175 VanDerWaalsContact C-N 3.3Å; W2173-E2175 HydrophobicContact CZ2-CB 4.38Å; W2173-E2175 HydrophobicContact CZ2-CG 4.19Å; W2173-E2175 VanDerWaalsContact CZ2-OE2 3.3Å; W2173-E2175 WeakPolarHBondContact CZ2-OE2 3.2Å; W2173-E2175 PolarHBondContact NE1-O 2.98Å; W2173-E2175 VanDerWaalsContact NE1-O 3.15Å; W2173-E2175 PolarHBondContact O-N 3.23Å; W2173-Y2177 AromaticContact CD1-CE2 3.99Å; W2173-Y2177 VanDerWaalsContact CZ2-OH 3.26Å; W2173-Y2177 WeakPolarHBondContact CZ2-OH 3.34Å; W2173-Y2177 AromaticContact NE1-CE2 3.37Å; W2173-Y2177 VanDerWaalsContact NE1-CE2 3.32Å; W2173-Y2177 AromaticContact NE1-CZ 3.69Å; W2173-Y2177 PolarHBondContact NE1-OH 2.92Å; W2173-Y2177 VanDerWaalsContact NE1-OH 3.14Å; W2173-N2194 PolarHBondContact O-ND2 3.05Å
2174	M	82.5	Confident	70.4	Confident	82.6 Å²	82.6	60.6 Å²	60.6	41%	0.407	30%	0.302	S	S	.	.			trans	-91.4	6.8	-173.3	-64	-59.2	-60.7	0	0	113.1	H1627 I2172 N2194 A2197	H1627-M2174 WeakPolarHBondContact CE1-CE 3.19Å; H1627-M2174 WeakPolarHBondContact NE2-CE 3.38Å; I2172-M2174 HydrophobicContact CB-SD 4.41Å; I2172-M2174 HydrophobicContact CG2-SD 4.03Å; I2172-M2174 WeakPolarHBondContact O-CG 3.32Å; I2172-M2174 PolarHBondContact O-N 3.18Å; I2172-M2174 VanDerWaalsContact O-N 3.15Å; M2174-N2194 WeakPolarHBondContact O-CB 3.33Å; M2174-N2194 PolarHBondContact O-N 3.12Å; M2174-A2197 HydrophobicContact CE-CB 3.92Å; M2174-A2197 HydrophobicContact SD-CB 3.7Å; M2174-A2197 VanDerWaalsContact SD-CB 3.57Å
2175	E	82.9	Confident	71.4	Confident	45.6 Å²	45.6	56.4 Å²	56.4	21%	0.213	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.1	-179.9	-42.4	-178.1	163.1	0	0	110.2	W2173 Y2177 R2191 R2192	W2173-E2175 VanDerWaalsContact C-N 3.3Å; W2173-E2175 HydrophobicContact CZ2-CB 4.38Å; W2173-E2175 HydrophobicContact CZ2-CG 4.19Å; W2173-E2175 VanDerWaalsContact CZ2-OE2 3.3Å; W2173-E2175 WeakPolarHBondContact CZ2-OE2 3.2Å; W2173-E2175 PolarHBondContact NE1-O 2.98Å; W2173-E2175 VanDerWaalsContact NE1-O 3.15Å; W2173-E2175 PolarHBondContact O-N 3.23Å; E2175-Y2177 PolarHBondContact OE2-OH 3.33Å; E2175-R2191 HydrophobicContact CB-CG 4.07Å; E2175-R2191 HydrophobicContact CG-CG 4.39Å; E2175-R2191 VanDerWaalsContact OE1-CD 3.24Å; E2175-R2191 WeakPolarHBondContact OE1-CD 3.35Å; E2175-R2191 IonicContact OE1-CZ 3.15Å; E2175-R2191 IonicContact OE1-NE 3.37Å; E2175-R2191 IonicContact OE1-NH1 3.02Å; E2175-R2191 PolarHBondContact OE1-NH1 2.92Å; E2175-R2191 IonicContact OE1-NH2 2.77Å; E2175-R2191 PolarHBondContact OE1-NH2 3.32Å; E2175-R2191 WeakPolarHBondContact OE2-CD 3.4Å; E2175-R2191 IonicContact OE2-CZ 3.06Å; E2175-R2191 VanDerWaalsContact OE2-CZ 3.23Å; E2175-R2191 IonicContact OE2-NE 3.13Å; E2175-R2191 PolarHBondContact OE2-NE 2.89Å; E2175-R2191 IonicContact OE2-NH1 3.18Å; E2175-R2191 IonicContact OE2-NH2 3.15Å; E2175-R2191 PolarHBondContact OE2-NH2 3.25Å; E2175-R2192 CarbonylContact C-O 3.55Å; E2175-R2192 VanDerWaalsContact CA-O 3.25Å; E2175-R2192 WeakPolarHBondContact CA-O 3.37Å; E2175-R2192 WeakPolarHBondContact CB-O 3.48Å
2176	S	83	Confident	72.7	Confident	0.4 Å²	0.4	52.8 Å²	52.8	0%	0.003	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	152.6	169.6	-118.8	0	0	0	0	109	D2126 Q2128 R2192 N2194	D2126-S2176 PolarHBondContact OD1-OG 3.08Å; D2126-S2176 WeakPolarHBondContact OD2-CA 3.33Å; D2126-S2176 WeakPolarHBondContact OD2-CB 3.38Å; D2126-S2176 PolarHBondContact OD2-OG 3.08Å; Q2128-S2176 PolarHBondContact OE1-OG 2.81Å; Q2128-S2176 VanDerWaalsContact OE1-OG 3.05Å; S2176-R2192 PolarHBondContact N-O 2.86Å; S2176-R2192 VanDerWaalsContact O-CG 3.26Å; S2176-R2192 WeakPolarHBondContact O-CG 3.4Å; S2176-R2192 PolarHBondContact O-N 3.1Å; S2176-R2192 VanDerWaalsContact O-O 3.1Å; S2176-R2192 WeakPolarHBondContact OG-CD 3.39Å; S2176-R2192 WeakPolarHBondContact OG-CG 3.41Å; S2176-R2192 PolarHBondContact OG-NE 2.88Å; S2176-R2192 VanDerWaalsContact OG-NE 3.13Å; S2176-R2192 PolarHBondContact OG-NH2 3.42Å; S2176-R2192 VanDerWaalsContact OG-NH2 3.08Å; S2176-N2194 VanDerWaalsContact OG-CB 3.23Å; S2176-N2194 WeakPolarHBondContact OG-CB 3.42Å
2177	Y	83.5	Confident	73.7	Confident	19.8 Å²	19.8	50.8 Å²	50.8	8%	0.078	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.4	-178.7	-60.3	-85.4	0	0	0	110.2	F2113 V2133 W2173 E2175 L2186 C2189 R2190 R2191	F2113-Y2177 HydrophobicContact CE1-CE2 4.47Å; F2113-Y2177 HydrophobicContact CE2-CE2 4.41Å; F2113-Y2177 HydrophobicContact CZ-CE2 4.31Å; V2133-Y2177 WeakPolarHBondContact CG2-O 3.23Å; W2173-Y2177 AromaticContact CD1-CE2 3.99Å; W2173-Y2177 VanDerWaalsContact CZ2-OH 3.26Å; W2173-Y2177 WeakPolarHBondContact CZ2-OH 3.34Å; W2173-Y2177 AromaticContact NE1-CE2 3.37Å; W2173-Y2177 VanDerWaalsContact NE1-CE2 3.32Å; W2173-Y2177 AromaticContact NE1-CZ 3.69Å; W2173-Y2177 PolarHBondContact NE1-OH 2.92Å; W2173-Y2177 VanDerWaalsContact NE1-OH 3.14Å; E2175-Y2177 PolarHBondContact OE2-OH 3.33Å; Y2177-L2186 HydrophobicContact CD1-CB 4.42Å; Y2177-L2186 HydrophobicContact CD1-CD1 3.92Å; Y2177-L2186 HydrophobicContact CD1-CD2 4.31Å; Y2177-L2186 HydrophobicContact CD1-CG 3.73Å; Y2177-L2186 HydrophobicContact CD2-CD1 3.91Å; Y2177-L2186 HydrophobicContact CD2-CD2 3.9Å; Y2177-L2186 HydrophobicContact CD2-CG 4.03Å; Y2177-L2186 HydrophobicContact CE1-CB 4.21Å; Y2177-L2186 HydrophobicContact CE1-CD1 4.33Å; Y2177-L2186 HydrophobicContact CE1-CD2 3.94Å; Y2177-L2186 HydrophobicContact CE1-CG 3.71Å; Y2177-L2186 HydrophobicContact CE2-CD1 4.35Å; Y2177-L2186 HydrophobicContact CE2-CD2 3.45Å; Y2177-L2186 VanDerWaalsContact CE2-CD2 3.43Å; Y2177-L2186 HydrophobicContact CE2-CG 4Å; Y2177-L2186 HydrophobicContact CG-CD1 3.65Å; Y2177-L2186 HydrophobicContact CG-CD2 4.19Å; Y2177-L2186 HydrophobicContact CG-CG 3.89Å; Y2177-L2186 VanDerWaalsContact CZ-CD2 3.42Å; Y2177-C2189 HydrophobicContact CD1-CB 4.35Å; Y2177-R2190 WeakPolarHBondContact CA-O 3.22Å; Y2177-R2191 HydrophobicContact CD1-CG 3.8Å; Y2177-R2191 HydrophobicContact CE1-CB 4.34Å; Y2177-R2191 HydrophobicContact CE1-CG 3.75Å; Y2177-R2191 VanDerWaalsContact CE1-CG 3.41Å
2178	T	79.2	Confident	74.6	Confident	15.6 Å²	15.6	47.1 Å²	47.1	10%	0.096	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	107	166.2	53.7	0	0	0	0	107.6	C2189 R2190	T2178-C2189 WeakPolarHBondContact O-CB 3.42Å; T2178-R2190 PolarHBondContact N-O 2.87Å; T2178-R2190 PolarHBondContact O-N 3.07Å; T2178-R2190 VanDerWaalsContact O-N 3.17Å; T2178-R2190 WeakPolarHBondContact OG1-CB 3.32Å; T2178-R2190 PolarHBondContact OG1-O 3.03Å
2179	C	79.4	Confident	75.7	Confident	2.6 Å²	2.6	43.4 Å²	43.4	2%	0.018	22%	0.217	C	C	.	.			trans	-114.6	151.9	-178.5	-58.3	0	0	0	0	110.9	R2132 V2133 V2136 G2181 E2183 C2189 S2430	R2132-C2179 VanDerWaalsContact CB-O 3.3Å; R2132-C2179 WeakPolarHBondContact CB-O 3.29Å; V2133-C2179 HydrophobicContact CG2-CB 4.29Å; V2136-C2179 HydrophobicContact CG2-CB 3.78Å; C2179-G2181 VanDerWaalsContact C-N 3.34Å; C2179-E2183 VanDerWaalsContact CA-OE1 3.25Å; C2179-E2183 WeakPolarHBondContact CA-OE1 3.26Å; C2179-C2189 HydrophobicContact CB-CB 4Å; C2179-C2189 WeakPolarHBondContact CB-SG 3.36Å; C2179-C2189 WeakPolarHBondContact SG-CB 3.3Å; C2179-C2189 CovalentContact SG-SG 2.03Å; C2179-C2189 PolarHBondContact SG-SG 2.98Å; C2179-S2430 WeakPolarHBondContact O-CB 3.4Å; C2179-S2430 PolarHBondContact O-OG 3.24Å
2180	N	69.9	Low	76.3	Confident	41.6 Å²	41.6	43.5 Å²	43.5	22%	0.222	21%	0.211	C	C	.	.			trans	-79.5	-26.3	171.7	-67.1	-7.8	0	0	0	112.1	R2132 F2182 E2183 S2430 W2431	R2132-N2180 WeakPolarHBondContact CD-O 3.4Å; R2132-N2180 PolarHBondContact NH1-O 2.9Å; N2180-F2182 HydrophobicContact CB-CD2 4.45Å; N2180-E2183 WeakPolarHBondContact CB-OE1 3.34Å; N2180-E2183 WeakPolarHBondContact CB-OE2 3.28Å; N2180-E2183 VanDerWaalsContact N-CD 3.33Å; N2180-E2183 PolarHBondContact N-OE1 3.24Å; N2180-E2183 PolarHBondContact N-OE2 3.13Å; N2180-E2183 VanDerWaalsContact N-OE2 3.13Å; N2180-S2430 PolarHBondContact OD1-O 3.28Å; N2180-S2430 VanDerWaalsContact OD1-O 3.08Å; N2180-W2431 PolarHBondContact ND2-O 2.99Å; N2180-W2431 VanDerWaalsContact OD1-CA 3.28Å; N2180-W2431 WeakPolarHBondContact OD1-CA 3.37Å; N2180-W2431 PolarHBondContact OD1-N 3.24Å
2181	G	71	Confident	76.9	Confident	1.6 Å²	1.6	45.4 Å²	45.4	2%	0.016	22%	0.216	C	C	.	.	S	Bend	trans	104.8	-12.8	179.4	0	0	0	0	0	114.5	R2132 Q2135 C2179 E2183	R2132-G2181 WeakPolarHBondContact O-CA 3.34Å; Q2135-G2181 WeakPolarHBondContact CB-O 3.37Å; C2179-G2181 VanDerWaalsContact C-N 3.34Å; G2181-E2183 PolarHBondContact N-OE2 2.97Å
2182	F	69.3	Low	76.8	Confident	90.4 Å²	90.4	43.9 Å²	43.9	40%	0.396	21%	0.207	S	C	.	.			trans	-100	-7.2	-179.3	-55.5	-68	0	0	0	113	I1786 M1857 N2180 G2277 W2431	I1786-F2182 VanDerWaalsContact CD1-O 3.25Å; I1786-F2182 WeakPolarHBondContact CD1-O 3.49Å; M1857-F2182 HydrophobicContact CB-CD1 3.82Å; M1857-F2182 HydrophobicContact CB-CE1 3.74Å; M1857-F2182 HydrophobicContact CB-CZ 4.42Å; M1857-F2182 HydrophobicContact CE-CE1 3.98Å; M1857-F2182 HydrophobicContact CG-CD1 4.05Å; M1857-F2182 HydrophobicContact CG-CE1 4.06Å; M1857-F2182 HydrophobicContact SD-CD1 3.58Å; M1857-F2182 VanDerWaalsContact SD-CD1 3.58Å; M1857-F2182 HydrophobicContact SD-CE1 3.34Å; M1857-F2182 WeakPolarHBondContact SD-CE1 3.34Å; N2180-F2182 HydrophobicContact CB-CD2 4.45Å; F2182-G2277 VanDerWaalsContact CZ-O 3.31Å; F2182-G2277 WeakPolarHBondContact CZ-O 3.36Å; F2182-W2431 AromaticContact CE2-NE1 3.77Å
2183	E	68.8	Low	76.4	Confident	26.2 Å²	26.2	47.1 Å²	47.1	12%	0.122	22%	0.224	C	C	.	.			trans	-64	140.8	179.4	-57.7	91.2	147.7	0	0	111.6	I1786 V2136 S2139 C2179 N2180 G2181 K2185	I1786-E2183 VanDerWaalsContact CD1-CA 3.5Å; I1786-E2183 HydrophobicContact CD1-CB 4.49Å; V2136-E2183 HydrophobicContact CG1-CB 4.06Å; V2136-E2183 WeakPolarHBondContact CG1-O 3.35Å; V2136-E2183 HydrophobicContact CG2-CB 3.83Å; V2136-E2183 HydrophobicContact CG2-CG 4.47Å; V2136-E2183 VanDerWaalsContact CG2-OE2 3.28Å; V2136-E2183 WeakPolarHBondContact CG2-OE2 3.34Å; S2139-E2183 PolarHBondContact OG-O 2.62Å; C2179-E2183 VanDerWaalsContact CA-OE1 3.25Å; C2179-E2183 WeakPolarHBondContact CA-OE1 3.26Å; N2180-E2183 WeakPolarHBondContact CB-OE1 3.34Å; N2180-E2183 WeakPolarHBondContact CB-OE2 3.28Å; N2180-E2183 VanDerWaalsContact N-CD 3.33Å; N2180-E2183 PolarHBondContact N-OE1 3.24Å; N2180-E2183 PolarHBondContact N-OE2 3.13Å; N2180-E2183 VanDerWaalsContact N-OE2 3.13Å; G2181-E2183 PolarHBondContact N-OE2 2.97Å; E2183-K2185 VanDerWaalsContact C-N 3.3Å; E2183-K2185 PolarHBondContact O-N 2.78Å
2184	S	69.1	Low	76	Confident	40 Å²	40	46 Å²	46	28%	0.28	22%	0.22	S	C	.	.	S	Bend	trans	-78.8	-22.3	-178.9	62.1	0	0	0	0	114.1	K1784 Y2188	K1784-S2184 VanDerWaalsContact CB-OG 3.3Å; K1784-S2184 WeakPolarHBondContact CB-OG 3.41Å; S2184-Y2188 VanDerWaalsContact OG-CE2 3.28Å; S2184-Y2188 WeakPolarHBondContact OG-CE2 3.26Å
2185	K	75.4	Confident	75.5	Confident	75.2 Å²	75.2	46.1 Å²	46.1	33%	0.327	22%	0.216	S	C	.	.	S	Bend	trans	-144.7	147.9	-179.8	-61.4	-177.6	-178.4	175.2	0	109.8	Y1709 D1782 V2136 E2140 E2183 A2187 Y2188	Y1709-K2185 HydrophobicContact CE1-CD 3.66Å; D1782-K2185 IonicContact OD2-NZ 3.14Å; D1782-K2185 PolarHBondContact OD2-NZ 3.29Å; V2136-K2185 VanDerWaalsContact CG1-C 3.45Å; V2136-K2185 WeakPolarHBondContact CG1-O 3.29Å; E2140-K2185 HydrophobicContact CG-CB 4.32Å; E2140-K2185 HydrophobicContact CG-CG 4.34Å; E2140-K2185 VanDerWaalsContact OE1-CA 3.24Å; E2140-K2185 WeakPolarHBondContact OE1-CA 3.37Å; E2140-K2185 WeakPolarHBondContact OE1-CB 3.31Å; E2140-K2185 WeakPolarHBondContact OE2-CA 3.31Å; E2183-K2185 VanDerWaalsContact C-N 3.3Å; E2183-K2185 PolarHBondContact O-N 2.78Å; K2185-A2187 PolarHBondContact O-N 3.08Å; K2185-A2187 VanDerWaalsContact O-N 3.14Å; K2185-Y2188 HydrophobicContact CB-CD2 3.82Å; K2185-Y2188 HydrophobicContact CB-CE2 3.79Å; K2185-Y2188 HydrophobicContact CD-CE2 4.12Å; K2185-Y2188 HydrophobicContact CG-CD2 4.45Å; K2185-Y2188 HydrophobicContact CG-CE2 4.03Å; K2185-Y2188 WeakPolarHBondContact O-CB 3.39Å; K2185-Y2188 PolarHBondContact O-N 3.2Å; K2185-Y2188 VanDerWaalsContact O-N 3.13Å
2186	L	80.5	Confident	75.1	Confident	6.8 Å²	6.8	45.9 Å²	45.9	4%	0.036	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61.7	-27.8	179.5	-154.1	81.8	0	0	0	113.1	F2113 V2133 V2136 V2137 E2140 Y2177 Y2188 C2189	F2113-L2186 HydrophobicContact CD1-CD1 4.22Å; F2113-L2186 HydrophobicContact CD1-CD2 4.07Å; F2113-L2186 HydrophobicContact CE1-CD1 3.22Å; F2113-L2186 HydrophobicContact CE1-CD2 3.3Å; F2113-L2186 HydrophobicContact CZ-CD1 3.64Å; F2113-L2186 HydrophobicContact CZ-CD2 3.74Å; V2133-L2186 HydrophobicContact CG1-CD1 3.93Å; V2133-L2186 HydrophobicContact CG1-CD2 3.79Å; V2136-L2186 HydrophobicContact CB-CD2 4.31Å; V2136-L2186 HydrophobicContact CG1-CB 4.42Å; V2136-L2186 HydrophobicContact CG1-CD1 4.41Å; V2136-L2186 HydrophobicContact CG1-CD2 4.02Å; V2136-L2186 HydrophobicContact CG1-CG 4.04Å; V2137-L2186 HydrophobicContact CG2-CD1 4.19Å; V2137-L2186 HydrophobicContact CG2-CD2 4.03Å; V2137-L2186 HydrophobicContact CG2-CG 4.1Å; E2140-L2186 WeakPolarHBondContact OE1-CB 3.24Å; E2140-L2186 PolarHBondContact OE1-N 3.22Å; E2140-L2186 PolarHBondContact OE2-N 2.91Å; Y2177-L2186 HydrophobicContact CD1-CB 4.42Å; Y2177-L2186 HydrophobicContact CD1-CD1 3.92Å; Y2177-L2186 HydrophobicContact CD1-CD2 4.31Å; Y2177-L2186 HydrophobicContact CD1-CG 3.73Å; Y2177-L2186 HydrophobicContact CD2-CD1 3.91Å; Y2177-L2186 HydrophobicContact CD2-CD2 3.9Å; Y2177-L2186 HydrophobicContact CD2-CG 4.03Å; Y2177-L2186 HydrophobicContact CE1-CB 4.21Å; Y2177-L2186 HydrophobicContact CE1-CD1 4.33Å; Y2177-L2186 HydrophobicContact CE1-CD2 3.94Å; Y2177-L2186 HydrophobicContact CE1-CG 3.71Å; Y2177-L2186 HydrophobicContact CE2-CD1 4.35Å; Y2177-L2186 HydrophobicContact CE2-CD2 3.45Å; Y2177-L2186 VanDerWaalsContact CE2-CD2 3.43Å; Y2177-L2186 HydrophobicContact CE2-CG 4Å; Y2177-L2186 HydrophobicContact CG-CD1 3.65Å; Y2177-L2186 HydrophobicContact CG-CD2 4.19Å; Y2177-L2186 HydrophobicContact CG-CG 3.89Å; Y2177-L2186 VanDerWaalsContact CZ-CD2 3.42Å; L2186-Y2188 PolarHBondContact O-N 3.17Å; L2186-Y2188 VanDerWaalsContact O-N 3.13Å; L2186-C2189 VanDerWaalsContact O-CB 3.27Å; L2186-C2189 WeakPolarHBondContact O-CB 3.42Å; L2186-C2189 PolarHBondContact O-N 3.1Å
2187	A	74.2	Confident	74.8	Confident	64.6 Å²	64.6	45.9 Å²	45.9	53%	0.534	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-64.6	-18.2	178.1	0	0	0	0	0	114.1	Y1709 K2185 C2189	Y1709-A2187 HydrophobicContact CD1-CB 3.71Å; Y1709-A2187 HydrophobicContact CD2-CB 3.04Å; Y1709-A2187 HydrophobicContact CE1-CB 4.11Å; Y1709-A2187 HydrophobicContact CE2-CB 3.47Å; Y1709-A2187 VanDerWaalsContact CE2-CB 3.47Å; Y1709-A2187 HydrophobicContact CG-CB 3.15Å; K2185-A2187 PolarHBondContact O-N 3.08Å; K2185-A2187 VanDerWaalsContact O-N 3.14Å; A2187-C2189 VanDerWaalsContact C-N 3.34Å
2188	Y	72.3	Confident	74.4	Confident	79.2 Å²	79.2	49.2 Å²	49.2	31%	0.311	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-87	-15	174.7	-56.8	-51.9	0	0	0	112.9	Y1709 F1712 F1781 D1782 Q1785 S2184 K2185 L2186	Y1709-Y2188 HydrophobicContact CD1-CE1 4.02Å; F1712-Y2188 HydrophobicContact CE2-CD1 4.1Å; F1712-Y2188 HydrophobicContact CE2-CE1 4.41Å; F1712-Y2188 HydrophobicContact CZ-CD1 4.4Å; F1781-Y2188 VanDerWaalsContact C-OH 3.32Å; F1781-Y2188 HydrophobicContact CB-CD1 4.34Å; F1781-Y2188 HydrophobicContact CB-CE1 3.43Å; F1781-Y2188 VanDerWaalsContact CB-CE1 3.43Å; F1781-Y2188 HydrophobicContact CB-CE2 4.45Å; F1781-Y2188 VanDerWaalsContact CB-CZ 3.49Å; F1781-Y2188 VanDerWaalsContact CB-OH 3.31Å; F1781-Y2188 WeakPolarHBondContact CB-OH 3.3Å; F1781-Y2188 HydrophobicContact CD1-CE1 4.05Å; F1781-Y2188 HydrophobicContact CD2-CE1 4.49Å; F1781-Y2188 HydrophobicContact CG-CD1 4.49Å; F1781-Y2188 AromaticContact CG-CE1 3.81Å; F1781-Y2188 HydrophobicContact CG-CE1 3.81Å; F1781-Y2188 PolarHBondContact O-OH 3.09Å; F1781-Y2188 VanDerWaalsContact O-OH 3.05Å; D1782-Y2188 WeakPolarHBondContact CB-OH 3.47Å; Q1785-Y2188 PolarHBondContact NE2-OH 3.13Å; S2184-Y2188 VanDerWaalsContact OG-CE2 3.28Å; S2184-Y2188 WeakPolarHBondContact OG-CE2 3.26Å; K2185-Y2188 HydrophobicContact CB-CD2 3.82Å; K2185-Y2188 HydrophobicContact CB-CE2 3.79Å; K2185-Y2188 HydrophobicContact CD-CE2 4.12Å; K2185-Y2188 HydrophobicContact CG-CD2 4.45Å; K2185-Y2188 HydrophobicContact CG-CE2 4.03Å; K2185-Y2188 WeakPolarHBondContact O-CB 3.39Å; K2185-Y2188 PolarHBondContact O-N 3.2Å; K2185-Y2188 VanDerWaalsContact O-N 3.13Å; L2186-Y2188 PolarHBondContact O-N 3.17Å; L2186-Y2188 VanDerWaalsContact O-N 3.13Å
2189	C	77.8	Confident	74.3	Confident	7.2 Å²	7.2	52.9 Å²	52.9	5%	0.049	26%	0.255	C	S	.	.	S	Bend	trans	-72.5	152.8	171.7	-56.7	0	0	0	0	110.7	Y2177 T2178 C2179 L2186 A2187 R2191	Y2177-C2189 HydrophobicContact CD1-CB 4.35Å; T2178-C2189 WeakPolarHBondContact O-CB 3.42Å; C2179-C2189 HydrophobicContact CB-CB 4Å; C2179-C2189 WeakPolarHBondContact CB-SG 3.36Å; C2179-C2189 WeakPolarHBondContact SG-CB 3.3Å; C2179-C2189 CovalentContact SG-SG 2.03Å; C2179-C2189 PolarHBondContact SG-SG 2.98Å; L2186-C2189 VanDerWaalsContact O-CB 3.27Å; L2186-C2189 WeakPolarHBondContact O-CB 3.42Å; L2186-C2189 PolarHBondContact O-N 3.1Å; A2187-C2189 VanDerWaalsContact C-N 3.34Å; C2189-R2191 PolarHBondContact O-N 3.26Å
2190	R	73.6	Confident	74.4	Confident	91.4 Å²	91.4	52.8 Å²	52.8	35%	0.345	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	126.3	173.1	172.8	179.3	-171.6	169.4	0.7	109.8	Y1719 Y2177 T2178 N2433	Y1719-R2190 PolarHBondContact OH-NH2 3.14Å; Y2177-R2190 WeakPolarHBondContact CA-O 3.22Å; T2178-R2190 PolarHBondContact N-O 2.87Å; T2178-R2190 PolarHBondContact O-N 3.07Å; T2178-R2190 VanDerWaalsContact O-N 3.17Å; T2178-R2190 WeakPolarHBondContact OG1-CB 3.32Å; T2178-R2190 PolarHBondContact OG1-O 3.03Å; R2190-N2433 HydrophobicContact CB-CB 4.17Å; R2190-N2433 VanDerWaalsContact CB-OD1 3.23Å; R2190-N2433 WeakPolarHBondContact CB-OD1 3.36Å; R2190-N2433 HydrophobicContact CG-CB 4.46Å; R2190-N2433 PolarHBondContact NH1-O 3.25Å
2191	R	76.7	Confident	74.9	Confident	146.2 Å²	146.2	53.7 Å²	53.7	55%	0.552	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	141.9	176.7	-110.8	169.1	66	-170.9	0.6	110.9	E2175 Y2177 C2189	E2175-R2191 HydrophobicContact CB-CG 4.07Å; E2175-R2191 HydrophobicContact CG-CG 4.39Å; E2175-R2191 VanDerWaalsContact OE1-CD 3.24Å; E2175-R2191 WeakPolarHBondContact OE1-CD 3.35Å; E2175-R2191 IonicContact OE1-CZ 3.15Å; E2175-R2191 IonicContact OE1-NE 3.37Å; E2175-R2191 IonicContact OE1-NH1 3.02Å; E2175-R2191 PolarHBondContact OE1-NH1 2.92Å; E2175-R2191 IonicContact OE1-NH2 2.77Å; E2175-R2191 PolarHBondContact OE1-NH2 3.32Å; E2175-R2191 WeakPolarHBondContact OE2-CD 3.4Å; E2175-R2191 IonicContact OE2-CZ 3.06Å; E2175-R2191 VanDerWaalsContact OE2-CZ 3.23Å; E2175-R2191 IonicContact OE2-NE 3.13Å; E2175-R2191 PolarHBondContact OE2-NE 2.89Å; E2175-R2191 IonicContact OE2-NH1 3.18Å; E2175-R2191 IonicContact OE2-NH2 3.15Å; E2175-R2191 PolarHBondContact OE2-NH2 3.25Å; Y2177-R2191 HydrophobicContact CD1-CG 3.8Å; Y2177-R2191 HydrophobicContact CE1-CB 4.34Å; Y2177-R2191 HydrophobicContact CE1-CG 3.75Å; Y2177-R2191 VanDerWaalsContact CE1-CG 3.41Å; C2189-R2191 PolarHBondContact O-N 3.26Å
2192	R	73.9	Confident	75.3	Confident	42 Å²	42	61.9 Å²	61.9	16%	0.158	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.5	169.9	17.1	-175.6	166	152	2.1	109.6	P1666 Q2128 E2175 S2176 D2463 S2523	P1666-R2192 HydrophobicContact CB-CB 4.26Å; Q2128-R2192 VanDerWaalsContact CD-NH2 3.28Å; Q2128-R2192 VanDerWaalsContact NE2-NH2 3.12Å; E2175-R2192 CarbonylContact C-O 3.55Å; E2175-R2192 VanDerWaalsContact CA-O 3.25Å; E2175-R2192 WeakPolarHBondContact CA-O 3.37Å; E2175-R2192 WeakPolarHBondContact CB-O 3.48Å; S2176-R2192 PolarHBondContact N-O 2.86Å; S2176-R2192 VanDerWaalsContact O-CG 3.26Å; S2176-R2192 WeakPolarHBondContact O-CG 3.4Å; S2176-R2192 PolarHBondContact O-N 3.1Å; S2176-R2192 VanDerWaalsContact O-O 3.1Å; S2176-R2192 WeakPolarHBondContact OG-CD 3.39Å; S2176-R2192 WeakPolarHBondContact OG-CG 3.41Å; S2176-R2192 PolarHBondContact OG-NE 2.88Å; S2176-R2192 VanDerWaalsContact OG-NE 3.13Å; S2176-R2192 PolarHBondContact OG-NH2 3.42Å; S2176-R2192 VanDerWaalsContact OG-NH2 3.08Å; R2192-D2463 IonicContact CZ-OD2 2.71Å; R2192-D2463 IonicContact NH1-OD2 2.72Å; R2192-D2463 IonicContact NH2-OD1 3.11Å; R2192-D2463 IonicContact NH2-OD2 3.31Å; R2192-D2463 PolarHBondContact NH2-OD2 2.86Å; R2192-S2523 PolarHBondContact NH1-O 2.99Å; R2192-S2523 PolarHBondContact NH2-O 2.86Å
2193	L	75.2	Confident	75.8	Confident	82.2 Å²	82.2	63.2 Å²	63.2	43%	0.43	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	136.4	172.1	-86.8	149.7	0	0	0	109.7	H1627 Y2195	H1627-L2193 VanDerWaalsContact NE2-CD1 3.3Å; H1627-L2193 WeakPolarHBondContact NE2-CD1 3.5Å; L2193-Y2195 HydrophobicContact CB-CE1 4.02Å; L2193-Y2195 HydrophobicContact CB-CE2 4.12Å; L2193-Y2195 HydrophobicContact CD1-CE1 4.4Å; L2193-Y2195 HydrophobicContact CD2-CD1 3.95Å; L2193-Y2195 HydrophobicContact CD2-CE1 3.55Å; L2193-Y2195 HydrophobicContact CG-CE1 4.34Å; L2193-Y2195 VanDerWaalsContact O-CD2 3.23Å; L2193-Y2195 WeakPolarHBondContact O-CD2 3.37Å; L2193-Y2195 VanDerWaalsContact O-CE2 3.3Å; L2193-Y2195 WeakPolarHBondContact O-CE2 3.41Å; L2193-Y2195 PolarHBondContact O-N 3.18Å
2194	N	78	Confident	76.4	Confident	4.4 Å²	4.4	65 Å²	65	2%	0.024	30%	0.304	C	S	.	.			trans	-84.9	92.3	174.9	179.4	1	0	0	0	109.7	C2125 D2126 W2173 M2174 S2176 D2196 A2197	C2125-N2194 PolarHBondContact O-ND2 2.98Å; D2126-N2194 WeakPolarHBondContact CB-ND2 3.23Å; W2173-N2194 PolarHBondContact O-ND2 3.05Å; M2174-N2194 WeakPolarHBondContact O-CB 3.33Å; M2174-N2194 PolarHBondContact O-N 3.12Å; S2176-N2194 VanDerWaalsContact OG-CB 3.23Å; S2176-N2194 WeakPolarHBondContact OG-CB 3.42Å; N2194-D2196 VanDerWaalsContact C-N 3.31Å; N2194-D2196 PolarHBondContact O-N 3.08Å; N2194-D2196 PolarHBondContact OD1-N 3.18Å; N2194-A2197 HydrophobicContact CB-CB 4.29Å; N2194-A2197 VanDerWaalsContact O-CB 3.31Å; N2194-A2197 WeakPolarHBondContact O-CB 3.35Å; N2194-A2197 PolarHBondContact O-N 3.04Å; N2194-A2197 PolarHBondContact OD1-N 3.13Å; N2194-A2197 VanDerWaalsContact OD1-N 3.1Å
2195	Y	72.4	Confident	77.1	Confident	85.4 Å²	85.4	65.1 Å²	65.1	34%	0.335	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.7	-179.7	-57	-75.3	0	0	0	113.5	H1627 F1633 P1666 L2193 A2197 P2464 L2465	H1627-Y2195 AromaticContact CD2-CE1 3.89Å; H1627-Y2195 PolarHBondContact CD2-O 3.45Å; F1633-Y2195 HydrophobicContact CZ-CD1 4.33Å; F1633-Y2195 HydrophobicContact CZ-CD2 4.35Å; F1633-Y2195 HydrophobicContact CZ-CG 4.19Å; P1666-Y2195 PolarHBondContact O-OH 2.83Å; L2193-Y2195 HydrophobicContact CB-CE1 4.02Å; L2193-Y2195 HydrophobicContact CB-CE2 4.12Å; L2193-Y2195 HydrophobicContact CD1-CE1 4.4Å; L2193-Y2195 HydrophobicContact CD2-CD1 3.95Å; L2193-Y2195 HydrophobicContact CD2-CE1 3.55Å; L2193-Y2195 HydrophobicContact CG-CE1 4.34Å; L2193-Y2195 VanDerWaalsContact O-CD2 3.23Å; L2193-Y2195 WeakPolarHBondContact O-CD2 3.37Å; L2193-Y2195 VanDerWaalsContact O-CE2 3.3Å; L2193-Y2195 WeakPolarHBondContact O-CE2 3.41Å; L2193-Y2195 PolarHBondContact O-N 3.18Å; Y2195-A2197 VanDerWaalsContact C-N 3.31Å; Y2195-P2464 HydrophobicContact CD1-CG 4.24Å; Y2195-P2464 HydrophobicContact CD2-CG 3.34Å; Y2195-P2464 HydrophobicContact CE2-CG 3.91Å; Y2195-P2464 HydrophobicContact CG-CG 3.6Å; Y2195-L2465 HydrophobicContact CE2-CD1 4.24Å; Y2195-L2465 HydrophobicContact CE2-CG 4.31Å; Y2195-L2465 VanDerWaalsContact OH-CD1 3.31Å; Y2195-L2465 WeakPolarHBondContact OH-CD1 3.45Å
2196	D	74.7	Confident	77.8	Confident	40.6 Å²	40.6	61.6 Å²	61.6	22%	0.217	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.1	178.1	-133.8	13	0	0	0	112.4	K2127 N2194 V2198 Q2199 C2200 R2203	K2127-D2196 WeakPolarHBondContact CD-OD2 3.22Å; K2127-D2196 WeakPolarHBondContact CE-OD2 2.91Å; N2194-D2196 VanDerWaalsContact C-N 3.31Å; N2194-D2196 PolarHBondContact O-N 3.08Å; N2194-D2196 PolarHBondContact OD1-N 3.18Å; D2196-V2198 VanDerWaalsContact C-N 3.28Å; D2196-V2198 PolarHBondContact O-N 2.91Å; D2196-V2198 VanDerWaalsContact O-N 3.13Å; D2196-Q2199 CarbonylContact O-C 3.54Å; D2196-Q2199 WeakPolarHBondContact O-CA 3.49Å; D2196-Q2199 PolarHBondContact O-N 3.22Å; D2196-Q2199 VanDerWaalsContact OD1-CB 3.22Å; D2196-Q2199 WeakPolarHBondContact OD1-CB 3.22Å; D2196-Q2199 WeakPolarHBondContact OD1-CG 3.36Å; D2196-Q2199 PolarHBondContact OD1-OE1 3.16Å; D2196-Q2199 VanDerWaalsContact OD1-OE1 3.08Å; D2196-C2200 VanDerWaalsContact O-CB 3.27Å; D2196-C2200 WeakPolarHBondContact O-CB 3.31Å; D2196-C2200 PolarHBondContact O-N 2.93Å; D2196-R2203 VanDerWaalsContact CG-NH1 3.32Å; D2196-R2203 IonicContact OD1-CZ 3.75Å; D2196-R2203 IonicContact OD1-NH1 3.15Å; D2196-R2203 PolarHBondContact OD1-NH1 3.42Å; D2196-R2203 IonicContact OD2-NH1 3.12Å; D2196-R2203 PolarHBondContact OD2-NH1 2.88Å
2197	A	76.6	Confident	78.2	Confident	0.8 Å²	0.8	61.3 Å²	61.3	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-50.8	-43.4	-173.7	0	0	0	0	0	113.6	I2172 M2174 N2194 Y2195 C2200 L2201	I2172-A2197 HydrophobicContact CD1-CB 4.5Å; I2172-A2197 WeakPolarHBondContact CD1-O 3.28Å; I2172-A2197 HydrophobicContact CG2-CB 4.15Å; M2174-A2197 HydrophobicContact CE-CB 3.92Å; M2174-A2197 HydrophobicContact SD-CB 3.7Å; M2174-A2197 VanDerWaalsContact SD-CB 3.57Å; N2194-A2197 HydrophobicContact CB-CB 4.29Å; N2194-A2197 VanDerWaalsContact O-CB 3.31Å; N2194-A2197 WeakPolarHBondContact O-CB 3.35Å; N2194-A2197 PolarHBondContact O-N 3.04Å; N2194-A2197 PolarHBondContact OD1-N 3.13Å; N2194-A2197 VanDerWaalsContact OD1-N 3.1Å; Y2195-A2197 VanDerWaalsContact C-N 3.31Å; A2197-C2200 WeakPolarHBondContact O-CB 3.4Å; A2197-C2200 PolarHBondContact O-N 2.89Å; A2197-L2201 PolarHBondContact O-N 2.98Å
2198	V	75.1	Confident	79	Confident	88.4 Å²	88.4	58.3 Å²	58.3	54%	0.536	26%	0.259	S	S	.	.	H	α-helix	trans	-70.1	-39.5	-179.9	179.4	0	0	0	0	111.9	H1627 D2196 L2201 K2202	H1627-V2198 VanDerWaalsContact NE2-CG2 3.33Å; H1627-V2198 WeakPolarHBondContact NE2-CG2 3.29Å; D2196-V2198 VanDerWaalsContact C-N 3.28Å; D2196-V2198 PolarHBondContact O-N 2.91Å; D2196-V2198 VanDerWaalsContact O-N 3.13Å; V2198-L2201 WeakPolarHBondContact O-CB 3.39Å; V2198-L2201 PolarHBondContact O-N 3.05Å; V2198-K2202 PolarHBondContact O-N 3.16Å; V2198-K2202 VanDerWaalsContact O-N 3.16Å
2199	Q	76.9	Confident	79.9	Confident	94.4 Å²	94.4	54.5 Å²	54.5	44%	0.441	24%	0.244	S	C	.	.	H	α-helix	trans	-74.2	-35.4	177	-166.1	179.7	38.3	0	0	111.2	D2196 L2201 K2202 R2203	D2196-Q2199 CarbonylContact O-C 3.54Å; D2196-Q2199 WeakPolarHBondContact O-CA 3.49Å; D2196-Q2199 PolarHBondContact O-N 3.22Å; D2196-Q2199 VanDerWaalsContact OD1-CB 3.22Å; D2196-Q2199 WeakPolarHBondContact OD1-CB 3.22Å; D2196-Q2199 WeakPolarHBondContact OD1-CG 3.36Å; D2196-Q2199 PolarHBondContact OD1-OE1 3.16Å; D2196-Q2199 VanDerWaalsContact OD1-OE1 3.08Å; Q2199-L2201 VanDerWaalsContact C-N 3.33Å; Q2199-L2201 PolarHBondContact O-N 3.15Å; Q2199-K2202 WeakPolarHBondContact O-CB 3.31Å; Q2199-K2202 PolarHBondContact O-N 3.05Å; Q2199-K2202 VanDerWaalsContact O-N 3.1Å; Q2199-R2203 VanDerWaalsContact CD-CZ 3.42Å; Q2199-R2203 VanDerWaalsContact CD-NH1 3.3Å; Q2199-R2203 VanDerWaalsContact NE2-NH2 3.18Å; Q2199-R2203 WeakPolarHBondContact O-CB 3.41Å; Q2199-R2203 WeakPolarHBondContact O-CG 3.33Å; Q2199-R2203 PolarHBondContact O-N 3.17Å
2200	C	80.4	Confident	80.3	Confident	0.4 Å²	0.4	55.4 Å²	55.4	0%	0.003	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-44	171.4	-172.4	0	0	0	0	111.1	C2125 D2196 A2197 K2202 R2203 K2204 D2205	C2125-C2200 WeakPolarHBondContact CA-SG 3.29Å; C2125-C2200 HydrophobicContact CB-CB 4.01Å; C2125-C2200 WeakPolarHBondContact CB-SG 3.28Å; C2125-C2200 PolarHBondContact O-SG 2.97Å; C2125-C2200 VanDerWaalsContact O-SG 3.36Å; C2125-C2200 WeakPolarHBondContact SG-CB 3.39Å; C2125-C2200 PolarHBondContact SG-O 2.95Å; C2125-C2200 VanDerWaalsContact SG-O 3.39Å; C2125-C2200 CovalentContact SG-SG 2.04Å; C2125-C2200 PolarHBondContact SG-SG 2.87Å; D2196-C2200 VanDerWaalsContact O-CB 3.27Å; D2196-C2200 WeakPolarHBondContact O-CB 3.31Å; D2196-C2200 PolarHBondContact O-N 2.93Å; A2197-C2200 WeakPolarHBondContact O-CB 3.4Å; A2197-C2200 PolarHBondContact O-N 2.89Å; C2200-K2202 VanDerWaalsContact C-N 3.33Å; C2200-K2202 PolarHBondContact O-N 3.04Å; C2200-R2203 CarbonylContact O-C 3.57Å; C2200-R2203 PolarHBondContact O-N 3.03Å; C2200-K2204 WeakPolarHBondContact O-CA 3.27Å; C2200-K2204 PolarHBondContact O-N 2.78Å; C2200-D2205 PolarHBondContact O-N 3.05Å; C2200-D2205 PolarHBondContact SG-O 3.23Å; C2200-D2205 VanDerWaalsContact SG-O 3.37Å
2201	L	80.1	Confident	80.8	Confident	60.4 Å²	60.4	51.1 Å²	51.1	32%	0.316	23%	0.23	S	C	.	.	H	α-helix	trans	-59.3	-43.3	174.5	-160.4	75.2	0	0	0	112.7	I2169 K2170 I2172 A2197 V2198 Q2199 R2203 K2204 F2206	I2169-L2201 HydrophobicContact CG2-CD1 4.35Å; I2169-L2201 HydrophobicContact CG2-CD2 4.45Å; K2170-L2201 HydrophobicContact CB-CD1 4.19Å; K2170-L2201 HydrophobicContact CD-CD1 4.41Å; I2172-L2201 HydrophobicContact CD1-CB 3.59Å; I2172-L2201 VanDerWaalsContact CD1-CB 3.43Å; I2172-L2201 HydrophobicContact CD1-CD1 3.74Å; I2172-L2201 HydrophobicContact CD1-CD2 3.62Å; I2172-L2201 VanDerWaalsContact CD1-CD2 3.41Å; I2172-L2201 HydrophobicContact CD1-CG 3.75Å; I2172-L2201 HydrophobicContact CG1-CB 4.29Å; I2172-L2201 HydrophobicContact CG1-CD1 4.18Å; I2172-L2201 HydrophobicContact CG1-CD2 3.92Å; I2172-L2201 HydrophobicContact CG1-CG 4.21Å; A2197-L2201 PolarHBondContact O-N 2.98Å; V2198-L2201 WeakPolarHBondContact O-CB 3.39Å; V2198-L2201 PolarHBondContact O-N 3.05Å; Q2199-L2201 VanDerWaalsContact C-N 3.33Å; Q2199-L2201 PolarHBondContact O-N 3.15Å; L2201-R2203 VanDerWaalsContact C-N 3.31Å; L2201-R2203 PolarHBondContact O-N 3.09Å; L2201-K2204 WeakPolarHBondContact O-CG 3.37Å; L2201-K2204 PolarHBondContact O-N 3.11Å; L2201-K2204 VanDerWaalsContact O-N 3.15Å; L2201-F2206 HydrophobicContact CD1-CE1 4.23Å; L2201-F2206 HydrophobicContact CD1-CZ 4.24Å
2202	K	80.1	Confident	80.5	Confident	174 Å²	174	45.9 Å²	45.9	76%	0.757	22%	0.215	S	C	*	.	H	α-helix	trans	-62.9	-39.1	177.6	-70.5	-179.7	179.5	-177.9	0	111.5	V2198 Q2199 C2200 K2204	V2198-K2202 PolarHBondContact O-N 3.16Å; V2198-K2202 VanDerWaalsContact O-N 3.16Å; Q2199-K2202 WeakPolarHBondContact O-CB 3.31Å; Q2199-K2202 PolarHBondContact O-N 3.05Å; Q2199-K2202 VanDerWaalsContact O-N 3.1Å; C2200-K2202 VanDerWaalsContact C-N 3.33Å; C2200-K2202 PolarHBondContact O-N 3.04Å; K2202-K2204 VanDerWaalsContact C-N 3.34Å
2203	R	80.5	Confident	79.8	Confident	118 Å²	118	46.4 Å²	46.4	45%	0.445	22%	0.223	S	C	.	.	H	α-helix	trans	-76.6	-23.3	176.1	-67.4	174.4	177.2	153.4	-0.8	113.2	K2127 D2196 Q2199 C2200 L2201 D2205	K2127-R2203 VanDerWaalsContact NZ-NH1 3.15Å; D2196-R2203 VanDerWaalsContact CG-NH1 3.32Å; D2196-R2203 IonicContact OD1-CZ 3.75Å; D2196-R2203 IonicContact OD1-NH1 3.15Å; D2196-R2203 PolarHBondContact OD1-NH1 3.42Å; D2196-R2203 IonicContact OD2-NH1 3.12Å; D2196-R2203 PolarHBondContact OD2-NH1 2.88Å; Q2199-R2203 VanDerWaalsContact CD-CZ 3.42Å; Q2199-R2203 VanDerWaalsContact CD-NH1 3.3Å; Q2199-R2203 VanDerWaalsContact NE2-NH2 3.18Å; Q2199-R2203 WeakPolarHBondContact O-CB 3.41Å; Q2199-R2203 WeakPolarHBondContact O-CG 3.33Å; Q2199-R2203 PolarHBondContact O-N 3.17Å; C2200-R2203 CarbonylContact O-C 3.57Å; C2200-R2203 PolarHBondContact O-N 3.03Å; L2201-R2203 VanDerWaalsContact C-N 3.31Å; L2201-R2203 PolarHBondContact O-N 3.09Å; R2203-D2205 WeakPolarHBondContact CB-OD2 3.29Å; R2203-D2205 WeakPolarHBondContact CD-OD2 3.21Å
2204	K	80.7	Confident	78.6	Confident	63.2 Å²	63.2	44.5 Å²	44.5	28%	0.275	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	38.1	-172.3	-56.7	180	178.1	-175.8	0	113.4	S2153 N2154 D2157 L2166 C2200 L2201 K2202 F2206	S2153-K2204 CarbonylContact C-O 3.52Å; S2153-K2204 VanDerWaalsContact C-O 3.27Å; N2154-K2204 WeakPolarHBondContact CA-O 3.44Å; N2154-K2204 HydrophobicContact CB-CB 3.87Å; N2154-K2204 HydrophobicContact CB-CD 4.34Å; N2154-K2204 WeakPolarHBondContact CB-O 3.25Å; N2154-K2204 PolarHBondContact N-O 3.1Å; D2157-K2204 IonicContact OD2-NZ 3.82Å; D2157-K2204 PolarHBondContact OD2-NZ 3.24Å; L2166-K2204 HydrophobicContact CD2-CD 4.33Å; L2166-K2204 VanDerWaalsContact CD2-NZ 3.26Å; C2200-K2204 WeakPolarHBondContact O-CA 3.27Å; C2200-K2204 PolarHBondContact O-N 2.78Å; L2201-K2204 WeakPolarHBondContact O-CG 3.37Å; L2201-K2204 PolarHBondContact O-N 3.11Å; L2201-K2204 VanDerWaalsContact O-N 3.15Å; K2202-K2204 VanDerWaalsContact C-N 3.34Å; K2204-F2206 VanDerWaalsContact C-N 3.3Å; K2204-F2206 HydrophobicContact CB-CD2 4.4Å; K2204-F2206 HydrophobicContact CB-CE2 3.83Å; K2204-F2206 HydrophobicContact CB-CZ 4.21Å; K2204-F2206 HydrophobicContact CG-CE2 4.31Å; K2204-F2206 HydrophobicContact CG-CZ 4.4Å; K2204-F2206 VanDerWaalsContact O-CD2 3.27Å; K2204-F2206 WeakPolarHBondContact O-CD2 3.34Å; K2204-F2206 PolarHBondContact O-N 3.22Å; K2204-F2206 VanDerWaalsContact O-N 3.1Å
2205	D	84.5	Confident	76.9	Confident	42 Å²	42	48.2 Å²	48.2	23%	0.225	24%	0.236	C	C	.	.			trans	-85.1	68.2	-177.1	-67.7	-26.1	0	0	0	112.2	C2125 K2127 F2152 C2200 R2203	C2125-D2205 PolarHBondContact SG-O 2.99Å; C2125-D2205 VanDerWaalsContact SG-O 3.4Å; K2127-D2205 WeakPolarHBondContact CE-OD2 3.22Å; K2127-D2205 IonicContact NZ-OD2 3.39Å; K2127-D2205 PolarHBondContact NZ-OD2 2.99Å; F2152-D2205 HydrophobicContact CB-CB 4.22Å; C2200-D2205 PolarHBondContact O-N 3.05Å; C2200-D2205 PolarHBondContact SG-O 3.23Å; C2200-D2205 VanDerWaalsContact SG-O 3.37Å; R2203-D2205 WeakPolarHBondContact CB-OD2 3.29Å; R2203-D2205 WeakPolarHBondContact CD-OD2 3.21Å
2206	F	88.8	Confident	75.2	Confident	1.8 Å²	1.8	48.6 Å²	48.6	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	141.6	-175.7	-55.5	-67	0	0	0	113	F2110 I2123 C2125 F2152 S2153 L2155 Y2156 I2169 K2170 L2201 K2204 F2208	F2110-F2206 HydrophobicContact CD1-CB 3.98Å; F2110-F2206 HydrophobicContact CE1-CB 4.18Å; I2123-F2206 HydrophobicContact CB-CD1 4.48Å; I2123-F2206 HydrophobicContact CD1-CB 3.96Å; I2123-F2206 HydrophobicContact CD1-CD1 3.54Å; I2123-F2206 HydrophobicContact CD1-CD2 4.32Å; I2123-F2206 HydrophobicContact CD1-CE1 4.12Å; I2123-F2206 HydrophobicContact CD1-CG 3.71Å; I2123-F2206 HydrophobicContact CG1-CB 4.39Å; I2123-F2206 HydrophobicContact CG1-CD1 3.87Å; I2123-F2206 HydrophobicContact CG1-CE1 4.47Å; I2123-F2206 HydrophobicContact CG1-CG 4.33Å; I2123-F2206 HydrophobicContact CG2-CD1 3.89Å; I2123-F2206 HydrophobicContact CG2-CE1 3.79Å; C2125-F2206 HydrophobicContact CB-CD1 3.95Å; C2125-F2206 HydrophobicContact CB-CE1 4.24Å; F2152-F2206 VanDerWaalsContact CA-O 3.32Å; F2152-F2206 WeakPolarHBondContact CA-O 3.34Å; S2153-F2206 PolarHBondContact N-O 3.22Å; S2153-F2206 VanDerWaalsContact N-O 3.14Å; S2153-F2206 WeakPolarHBondContact O-CB 3.39Å; S2153-F2206 PolarHBondContact O-N 3.08Å; S2153-F2206 VanDerWaalsContact O-N 3.12Å; L2155-F2206 HydrophobicContact CB-CD2 4.16Å; L2155-F2206 HydrophobicContact CB-CE2 4.4Å; L2155-F2206 HydrophobicContact CD1-CD2 4.07Å; L2155-F2206 HydrophobicContact CD1-CG 4.46Å; Y2156-F2206 VanDerWaalsContact CB-CD2 3.43Å; Y2156-F2206 HydrophobicContact CD1-CE2 4.45Å; Y2156-F2206 HydrophobicContact CG-CD2 4.27Å; Y2156-F2206 HydrophobicContact CG-CE2 4.26Å; I2169-F2206 HydrophobicContact CD1-CZ 4.19Å; K2170-F2206 HydrophobicContact CD-CE1 4.24Å; K2170-F2206 HydrophobicContact CD-CE2 4.3Å; K2170-F2206 HydrophobicContact CD-CZ 3.62Å; K2170-F2206 VanDerWaalsContact NZ-CE2 3.3Å; L2201-F2206 HydrophobicContact CD1-CE1 4.23Å; L2201-F2206 HydrophobicContact CD1-CZ 4.24Å; K2204-F2206 VanDerWaalsContact C-N 3.3Å; K2204-F2206 HydrophobicContact CB-CD2 4.4Å; K2204-F2206 HydrophobicContact CB-CE2 3.83Å; K2204-F2206 HydrophobicContact CB-CZ 4.21Å; K2204-F2206 HydrophobicContact CG-CE2 4.31Å; K2204-F2206 HydrophobicContact CG-CZ 4.4Å; K2204-F2206 VanDerWaalsContact O-CD2 3.27Å; K2204-F2206 WeakPolarHBondContact O-CD2 3.34Å; K2204-F2206 PolarHBondContact O-N 3.22Å; K2204-F2206 VanDerWaalsContact O-N 3.1Å; F2206-F2208 PolarHBondContact O-N 2.95Å
2207	A	90.3	Very high	73.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.1	-179	0	0	0	0	0	111.9	F2110 V2111 A2124 F2129 F2152	F2110-A2207 WeakPolarHBondContact CA-O 3.33Å; V2111-A2207 PolarHBondContact N-O 3.26Å; V2111-A2207 VanDerWaalsContact N-O 3.08Å; A2124-A2207 HydrophobicContact CB-CB 4.03Å; A2124-A2207 PolarHBondContact O-N 3.3Å; F2129-A2207 HydrophobicContact CB-CB 4.34Å; F2129-A2207 HydrophobicContact CD1-CB 4.11Å; F2129-A2207 HydrophobicContact CD2-CB 4.42Å; F2129-A2207 HydrophobicContact CG-CB 4.1Å; F2152-A2207 HydrophobicContact CD1-CB 4.24Å; F2152-A2207 HydrophobicContact CE1-CB 3.89Å
2208	F	89.9	Confident	71.4	Confident	1.8 Å²	1.8	60 Å²	60	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.1	173.1	-169.6	-92	0	0	0	109.7	E2108 G2109 F2110 V2150 R2151 F2206 M2596 L2597	E2108-F2208 HydrophobicContact CB-CE1 3.94Å; E2108-F2208 HydrophobicContact CB-CZ 3.98Å; E2108-F2208 HydrophobicContact CG-CE1 4.16Å; E2108-F2208 HydrophobicContact CG-CZ 3.81Å; G2109-F2208 VanDerWaalsContact C-CE2 3.5Å; G2109-F2208 VanDerWaalsContact CA-CE2 3.48Å; F2110-F2208 HydrophobicContact CD1-CB 4.23Å; F2110-F2208 AromaticContact CD1-CD2 3.99Å; F2110-F2208 HydrophobicContact CD1-CD2 4.01Å; F2110-F2208 AromaticContact CD2-CD2 3.84Å; F2110-F2208 HydrophobicContact CD2-CD2 3.84Å; F2110-F2208 HydrophobicContact CD2-CE2 4.2Å; F2110-F2208 HydrophobicContact CE1-CB 4.24Å; F2110-F2208 AromaticContact CE1-CD2 3.94Å; F2110-F2208 HydrophobicContact CE1-CD2 4.04Å; F2110-F2208 AromaticContact CE2-CD2 3.84Å; F2110-F2208 HydrophobicContact CE2-CD2 3.84Å; F2110-F2208 HydrophobicContact CE2-CE2 4.15Å; F2110-F2208 AromaticContact CG-CD2 3.92Å; F2110-F2208 HydrophobicContact CG-CD2 3.92Å; F2110-F2208 AromaticContact CZ-CD2 3.91Å; F2110-F2208 HydrophobicContact CZ-CD2 3.95Å; V2150-F2208 WeakPolarHBondContact CA-O 3.3Å; R2151-F2208 PolarHBondContact N-O 3.25Å; R2151-F2208 WeakPolarHBondContact O-CA 3.31Å; R2151-F2208 WeakPolarHBondContact O-CB 3.31Å; R2151-F2208 PolarHBondContact O-N 3.25Å; F2206-F2208 PolarHBondContact O-N 2.95Å; F2208-M2596 HydrophobicContact CD1-CE 3.95Å; F2208-M2596 HydrophobicContact CE1-CE 3.73Å; F2208-L2597 HydrophobicContact CB-CD1 3.94Å; F2208-L2597 HydrophobicContact CD1-CD1 4.02Å; F2208-L2597 HydrophobicContact CD1-CG 4.09Å; F2208-L2597 HydrophobicContact CD2-CD1 3.62Å; F2208-L2597 VanDerWaalsContact CD2-CD1 3.44Å; F2208-L2597 HydrophobicContact CD2-CD2 3.93Å; F2208-L2597 HydrophobicContact CD2-CG 3.97Å; F2208-L2597 HydrophobicContact CE1-CD1 4.37Å; F2208-L2597 HydrophobicContact CE1-CD2 4.33Å; F2208-L2597 HydrophobicContact CE1-CG 3.98Å; F2208-L2597 HydrophobicContact CE2-CD1 4.05Å; F2208-L2597 HydrophobicContact CE2-CD2 3.47Å; F2208-L2597 VanDerWaalsContact CE2-CD2 3.46Å; F2208-L2597 HydrophobicContact CE2-CG 3.87Å; F2208-L2597 HydrophobicContact CG-CD1 3.59Å; F2208-L2597 VanDerWaalsContact CG-CD1 3.49Å; F2208-L2597 HydrophobicContact CG-CD2 4.4Å; F2208-L2597 HydrophobicContact CG-CG 4.07Å; F2208-L2597 HydrophobicContact CZ-CD1 4.34Å; F2208-L2597 HydrophobicContact CZ-CD2 3.69Å; F2208-L2597 HydrophobicContact CZ-CG 3.86Å
2209	L	91	Very high	69.5	Low	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.5	-175.9	175.1	57.9	0	0	0	110.2	L2100 E2108 G2109 V2111 A2134 V2137 A2148 I2149 V2150	L2100-L2209 HydrophobicContact CD2-CB 4.09Å; L2100-L2209 HydrophobicContact CD2-CD2 4.2Å; L2100-L2209 HydrophobicContact CD2-CG 4.46Å; E2108-L2209 CarbonylContact C-O 3.53Å; E2108-L2209 WeakPolarHBondContact CA-O 3.28Å; E2108-L2209 WeakPolarHBondContact CB-O 3.41Å; G2109-L2209 PolarHBondContact N-O 3.14Å; G2109-L2209 PolarHBondContact O-N 2.9Å; V2111-L2209 HydrophobicContact CG2-CB 3.55Å; V2111-L2209 VanDerWaalsContact CG2-CB 3.46Å; V2111-L2209 HydrophobicContact CG2-CD2 4.22Å; V2111-L2209 HydrophobicContact CG2-CG 4.46Å; A2134-L2209 HydrophobicContact CB-CD1 3.44Å; A2134-L2209 VanDerWaalsContact CB-CD1 3.44Å; A2134-L2209 HydrophobicContact CB-CD2 4.44Å; V2137-L2209 HydrophobicContact CB-CD2 3.88Å; V2137-L2209 HydrophobicContact CG1-CD2 3.48Å; V2137-L2209 VanDerWaalsContact CG1-CD2 3.5Å; A2148-L2209 HydrophobicContact CB-CD1 4.39Å; I2149-L2209 WeakPolarHBondContact O-CA 3.45Å; I2149-L2209 WeakPolarHBondContact O-CD1 3.46Å; V2150-L2209 HydrophobicContact CG2-CD1 4.26Å
2210	R	87.4	Confident	67.3	Low	26.4 Å²	26.4	61.1 Å²	61.1	10%	0.1	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.6	164.8	178.8	173.5	-170.6	-178.9	-2.8	110.3	Q2105 E2108 A2148 I2149 V2212 M2596	Q2105-R2210 VanDerWaalsContact CD-NH2 3.28Å; Q2105-R2210 VanDerWaalsContact NE2-NH2 3.15Å; Q2105-R2210 VanDerWaalsContact OE1-CZ 3.23Å; E2108-R2210 HydrophobicContact CB-CB 3.71Å; E2108-R2210 HydrophobicContact CB-CG 3.87Å; E2108-R2210 VanDerWaalsContact OE2-CD 3.22Å; E2108-R2210 WeakPolarHBondContact OE2-CD 3.37Å; E2108-R2210 IonicContact OE2-CZ 3.16Å; E2108-R2210 IonicContact OE2-NE 3.25Å; E2108-R2210 PolarHBondContact OE2-NE 3.08Å; E2108-R2210 IonicContact OE2-NH1 3.21Å; E2108-R2210 PolarHBondContact OE2-NH1 3.24Å; A2148-R2210 WeakPolarHBondContact CA-O 3.39Å; I2149-R2210 HydrophobicContact CB-CB 4.4Å; I2149-R2210 HydrophobicContact CD1-CB 4.42Å; I2149-R2210 HydrophobicContact CD1-CG 4.35Å; I2149-R2210 PolarHBondContact N-O 3.15Å; I2149-R2210 PolarHBondContact O-N 3.03Å; R2210-V2212 HydrophobicContact CG-CG2 3.89Å; R2210-M2596 HydrophobicContact CB-CE 3.38Å; R2210-M2596 VanDerWaalsContact CB-CE 3.46Å; R2210-M2596 HydrophobicContact CB-SD 4.34Å; R2210-M2596 VanDerWaalsContact CD-CE 3.5Å; R2210-M2596 VanDerWaalsContact CD-SD 3.52Å; R2210-M2596 WeakPolarHBondContact CD-SD 3.25Å; R2210-M2596 HydrophobicContact CG-CE 4.08Å; R2210-M2596 HydrophobicContact CG-SD 4.46Å; R2210-M2596 PolarHBondContact NH1-SD 3.15Å; R2210-M2596 VanDerWaalsContact NH1-SD 3.36Å
2211	C	84.2	Confident	65.1	Low	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	95.4	172.4	-57.8	0	0	0	0	107.7	L2093 N2107 C2138 V2143 P2213	L2093-C2211 HydrophobicContact CD1-CB 4.32Å; N2107-C2211 VanDerWaalsContact CB-O 3.25Å; N2107-C2211 WeakPolarHBondContact CB-O 3.27Å; N2107-C2211 PolarHBondContact ND2-O 3.1Å; N2107-C2211 PolarHBondContact O-N 2.94Å; C2138-C2211 VanDerWaalsContact CA-SG 3.52Å; C2138-C2211 WeakPolarHBondContact CA-SG 3.43Å; C2138-C2211 HydrophobicContact CB-CB 3.83Å; C2138-C2211 WeakPolarHBondContact CB-SG 3.4Å; C2138-C2211 VanDerWaalsContact SG-CA 3.57Å; C2138-C2211 WeakPolarHBondContact SG-CB 3.37Å; C2138-C2211 CovalentContact SG-SG 2.04Å; C2138-C2211 PolarHBondContact SG-SG 3.22Å; V2143-C2211 HydrophobicContact CB-CB 4.2Å; V2143-C2211 HydrophobicContact CG1-CB 3.83Å; C2211-P2213 VanDerWaalsContact O-CD 3.3Å; C2211-P2213 WeakPolarHBondContact O-CD 3.25Å
2212	V	69.9	Low	62.9	Low	37.8 Å²	37.8	73.5 Å²	73.5	23%	0.229	38%	0.381	C	S	.	.			trans	-72.4	116.6	-178	-175.4	0	0	0	0	110.1	N2107 T2147 I2149 R2210 Q2214	N2107-V2212 WeakPolarHBondContact ND2-CA 3.37Å; T2147-V2212 WeakPolarHBondContact CB-O 3.19Å; T2147-V2212 PolarHBondContact OG1-O 3.27Å; I2149-V2212 HydrophobicContact CD1-CG2 3.91Å; R2210-V2212 HydrophobicContact CG-CG2 3.89Å; V2212-Q2214 PolarHBondContact O-N 2.98Å; V2212-Q2214 VanDerWaalsContact O-N 3.16Å
2213	P	58.6	Low	60.7	Low	52 Å²	52	75.5 Å²	75.5	34%	0.338	39%	0.39	S	S	.	.			trans	-67.4	128.8	171.7	28.3	-32.4	0	0	0	108.9	N2107 V2143 C2211 T2215	N2107-P2213 VanDerWaalsContact CB-CD 3.48Å; N2107-P2213 HydrophobicContact CB-CG 4.02Å; N2107-P2213 WeakPolarHBondContact ND2-CD 3.42Å; V2143-P2213 HydrophobicContact CG1-CB 4.35Å; C2211-P2213 VanDerWaalsContact O-CD 3.3Å; C2211-P2213 WeakPolarHBondContact O-CD 3.25Å; P2213-T2215 VanDerWaalsContact C-N 3.31Å; P2213-T2215 HydrophobicContact CB-CG2 4.34Å; P2213-T2215 PolarHBondContact O-N 3.15Å; P2213-T2215 PolarHBondContact O-OG1 3.16Å
2214	Q	50	Low	58.7	Low	43 Å²	43	76.6 Å²	76.6	20%	0.201	40%	0.398	C	S	.	.			trans	-72.9	76.5	-177.5	-143.4	172.2	27.3	0	0	110.3	S2144 T2147 V2212 D2227 L2228	S2144-Q2214 WeakPolarHBondContact OG-CG 3.32Å; S2144-Q2214 PolarHBondContact OG-NE2 3.24Å; T2147-Q2214 HydrophobicContact CG2-CB 4.45Å; T2147-Q2214 HydrophobicContact CG2-CG 4.11Å; V2212-Q2214 PolarHBondContact O-N 2.98Å; V2212-Q2214 VanDerWaalsContact O-N 3.16Å; Q2214-D2227 PolarHBondContact NE2-OD1 3.1Å; Q2214-D2227 PolarHBondContact OE1-OD1 2.93Å; Q2214-D2227 VanDerWaalsContact OE1-OD1 3.13Å; Q2214-L2228 HydrophobicContact CB-CD1 4.36Å; Q2214-L2228 VanDerWaalsContact CD-N 3.3Å; Q2214-L2228 HydrophobicContact CG-CB 4.13Å; Q2214-L2228 HydrophobicContact CG-CD1 3.72Å; Q2214-L2228 HydrophobicContact CG-CG 4.36Å; Q2214-L2228 VanDerWaalsContact NE2-CB 3.28Å
2215	T	41.7	Very low	56.7	Low	82.8 Å²	82.8	78.9 Å²	78.9	51%	0.508	42%	0.418	S	S	.	.			trans	-118.1	101.3	178.8	54.8	0	0	0	0	110.2	P2213 K2217 T2225	P2213-T2215 VanDerWaalsContact C-N 3.31Å; P2213-T2215 HydrophobicContact CB-CG2 4.34Å; P2213-T2215 PolarHBondContact O-N 3.15Å; P2213-T2215 PolarHBondContact O-OG1 3.16Å; T2215-K2217 VanDerWaalsContact C-N 3.3Å; T2215-K2217 PolarHBondContact O-N 2.97Å; T2215-K2217 VanDerWaalsContact O-N 3.1Å; T2215-T2225 HydrophobicContact CG2-CG2 4.37Å
2216	N	38.7	Very low	54.8	Low	93.2 Å²	93.2	81.1 Å²	81.1	50%	0.498	43%	0.428	S	S	.	.			trans	-70.6	84.1	161.1	-97.5	-16.9	0	0	0	108.7	A2218 L2219	N2216-A2218 PolarHBondContact O-N 2.85Å; N2216-A2218 VanDerWaalsContact O-N 3.12Å; N2216-L2219 PolarHBondContact O-N 3.19Å
2217	K	35.4	Very low	53.1	Low	191.6 Å²	191.6	84.2 Å²	84.2	83%	0.833	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.1	173.5	-84.1	-176.2	177.1	177.8	0	113.3	T2215 L2219 S2220	T2215-K2217 VanDerWaalsContact C-N 3.3Å; T2215-K2217 PolarHBondContact O-N 2.97Å; T2215-K2217 VanDerWaalsContact O-N 3.1Å; K2217-L2219 PolarHBondContact O-N 3.4Å; K2217-S2220 PolarHBondContact O-N 3.08Å; K2217-S2220 PolarHBondContact O-OG 3.03Å
2218	A	35.9	Very low	51.4	Low	89.8 Å²	89.8	85.5 Å²	85.5	74%	0.742	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-21.7	-176.9	0	0	0	0	0	114.3	N2216	N2216-A2218 PolarHBondContact O-N 2.85Å; N2216-A2218 VanDerWaalsContact O-N 3.12Å
2219	L	35.3	Very low	49.9	Very low	129 Å²	129	86.5 Å²	86.5	68%	0.675	46%	0.459	S	S	*	.	S	Bend	trans	-132.7	75.7	-177.5	-74.7	148.7	0	0	0	111.1	N2216 K2217 M2221 I2226	N2216-L2219 PolarHBondContact O-N 3.19Å; K2217-L2219 PolarHBondContact O-N 3.4Å; L2219-M2221 VanDerWaalsContact C-N 3.27Å; L2219-M2221 PolarHBondContact O-N 3.5Å; L2219-I2226 HydrophobicContact CB-CD1 3.72Å; L2219-I2226 HydrophobicContact CD1-CD1 3.85Å; L2219-I2226 HydrophobicContact CD2-CD1 4.3Å; L2219-I2226 HydrophobicContact CG-CD1 4.16Å
2220	S	29.2	Very low	48.5	Very low	76 Å²	76	87.6 Å²	87.6	53%	0.531	47%	0.466	S	S	.	.			trans	159.7	108.8	158	104.1	0	0	0	0	112.2	K2217 D2222	K2217-S2220 PolarHBondContact O-N 3.08Å; K2217-S2220 PolarHBondContact O-OG 3.03Å; S2220-D2222 VanDerWaalsContact C-N 3.31Å; S2220-D2222 VanDerWaalsContact CB-O 3.23Å; S2220-D2222 WeakPolarHBondContact CB-O 3.48Å; S2220-D2222 PolarHBondContact O-N 3.16Å; S2220-D2222 VanDerWaalsContact OG-C 3.3Å; S2220-D2222 WeakPolarHBondContact OG-CA 3.4Å; S2220-D2222 WeakPolarHBondContact OG-CB 3.49Å; S2220-D2222 PolarHBondContact OG-N 3.08Å; S2220-D2222 PolarHBondContact OG-O 3.11Å
2221	M	33.8	Very low	47.8	Very low	193.6 Å²	193.6	87.3 Å²	87.3	95%	0.954	47%	0.468	S	S	*	.	S	Bend	trans	-74.6	-12.1	164.4	-74	-87.8	-82.5	0	0	111.8	L2219	L2219-M2221 VanDerWaalsContact C-N 3.27Å; L2219-M2221 PolarHBondContact O-N 3.5Å
2222	D	34.1	Very low	47.7	Very low	127.8 Å²	127.8	87.4 Å²	87.4	68%	0.683	47%	0.468	S	S	*	.	S	Bend	trans	-92.8	130.2	173.6	-77	-38.1	0	0	0	111.1	S2220 K2224	S2220-D2222 VanDerWaalsContact C-N 3.31Å; S2220-D2222 VanDerWaalsContact CB-O 3.23Å; S2220-D2222 WeakPolarHBondContact CB-O 3.48Å; S2220-D2222 PolarHBondContact O-N 3.16Å; S2220-D2222 VanDerWaalsContact OG-C 3.3Å; S2220-D2222 WeakPolarHBondContact OG-CA 3.4Å; S2220-D2222 WeakPolarHBondContact OG-CB 3.49Å; S2220-D2222 PolarHBondContact OG-N 3.08Å; S2220-D2222 PolarHBondContact OG-O 3.11Å; D2222-K2224 VanDerWaalsContact C-N 3.27Å; D2222-K2224 PolarHBondContact O-N 2.92Å
2223	K	33.8	Very low	48.8	Very low	216 Å²	216	85.6 Å²	85.6	94%	0.939	46%	0.457	S	S	*	.			trans	-70.3	39.8	-175.9	-67	174.4	176.7	171	0	114.1
2224	K	38.6	Very low	50.2	Low	140.8 Å²	140.8	83.1 Å²	83.1	61%	0.612	44%	0.441	S	S	*	.			trans	-98.5	108.8	170.1	-76.1	-172	174.3	-173	0	109.4	E2049 D2222 I2226	E2049-K2224 IonicContact OE1-NZ 2.75Å; E2049-K2224 IonicContact OE2-NZ 3.62Å; E2049-K2224 PolarHBondContact OE2-NZ 2.87Å; E2049-K2224 VanDerWaalsContact OE2-NZ 3.13Å; D2222-K2224 VanDerWaalsContact C-N 3.27Å; D2222-K2224 PolarHBondContact O-N 2.92Å; K2224-I2226 VanDerWaalsContact C-N 3.35Å; K2224-I2226 PolarHBondContact O-N 2.99Å; K2224-I2226 VanDerWaalsContact O-N 3.11Å
2225	T	39.8	Very low	52.3	Low	111.4 Å²	111.4	81 Å²	81	68%	0.683	43%	0.432	S	S	*	.			trans	-65.4	105.1	166.8	39.8	0	0	0	0	108.9	T2215 D2227	T2215-T2225 HydrophobicContact CG2-CG2 4.37Å; T2225-D2227 PolarHBondContact O-N 2.88Å; T2225-D2227 VanDerWaalsContact O-N 3.11Å
2226	I	44.9	Very low	54.9	Low	88.4 Å²	88.4	77.1 Å²	77.1	45%	0.453	41%	0.408	S	S	.	.			trans	-76.6	112.9	169.8	-59.9	168.8	0	0	0	106.7	L2219 K2224 L2228	L2219-I2226 HydrophobicContact CB-CD1 3.72Å; L2219-I2226 HydrophobicContact CD1-CD1 3.85Å; L2219-I2226 HydrophobicContact CD2-CD1 4.3Å; L2219-I2226 HydrophobicContact CG-CD1 4.16Å; K2224-I2226 VanDerWaalsContact C-N 3.35Å; K2224-I2226 PolarHBondContact O-N 2.99Å; K2224-I2226 VanDerWaalsContact O-N 3.11Å; I2226-L2228 PolarHBondContact O-N 3.02Å; I2226-L2228 VanDerWaalsContact O-N 3.14Å
2227	D	52	Low	57.5	Low	66 Å²	66	73.5 Å²	73.5	35%	0.353	39%	0.387	S	S	.	.			trans	-73.2	109	171.9	-168	-15.6	0	0	0	108.2	Q2214 T2225 S2229 T2230	Q2214-D2227 PolarHBondContact NE2-OD1 3.1Å; Q2214-D2227 PolarHBondContact OE1-OD1 2.93Å; Q2214-D2227 VanDerWaalsContact OE1-OD1 3.13Å; T2225-D2227 PolarHBondContact O-N 2.88Å; T2225-D2227 VanDerWaalsContact O-N 3.11Å; D2227-S2229 VanDerWaalsContact CG-OG 3.24Å; D2227-S2229 PolarHBondContact O-N 3.04Å; D2227-S2229 VanDerWaalsContact O-N 3.13Å; D2227-S2229 VanDerWaalsContact OD1-CB 3.31Å; D2227-S2229 WeakPolarHBondContact OD1-CB 3.36Å; D2227-S2229 PolarHBondContact OD1-N 3.05Å; D2227-S2229 PolarHBondContact OD1-OG 3.06Å; D2227-S2229 PolarHBondContact OD2-OG 3Å; D2227-S2229 VanDerWaalsContact OD2-OG 3.1Å; D2227-T2230 HydrophobicContact CB-CG2 4.29Å; D2227-T2230 PolarHBondContact O-N 2.96Å; D2227-T2230 VanDerWaalsContact O-N 3.12Å; D2227-T2230 PolarHBondContact O-OG1 3.02Å
2228	L	54.8	Low	60.3	Low	28.2 Å²	28.2	64.5 Å²	64.5	15%	0.148	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-59.8	-26.6	-174.9	-89.7	111.5	0	0	0	112.2	Q2214 I2226 T2230 S2231 T2232 N2299 F2301	Q2214-L2228 HydrophobicContact CB-CD1 4.36Å; Q2214-L2228 VanDerWaalsContact CD-N 3.3Å; Q2214-L2228 HydrophobicContact CG-CB 4.13Å; Q2214-L2228 HydrophobicContact CG-CD1 3.72Å; Q2214-L2228 HydrophobicContact CG-CG 4.36Å; Q2214-L2228 VanDerWaalsContact NE2-CB 3.28Å; I2226-L2228 PolarHBondContact O-N 3.02Å; I2226-L2228 VanDerWaalsContact O-N 3.14Å; L2228-T2230 PolarHBondContact O-N 3.04Å; L2228-T2230 VanDerWaalsContact O-N 3.11Å; L2228-S2231 VanDerWaalsContact CA-OG 3.31Å; L2228-S2231 WeakPolarHBondContact CA-OG 3.39Å; L2228-S2231 CarbonylContact O-C 3.56Å; L2228-S2231 VanDerWaalsContact O-C 3.27Å; L2228-S2231 WeakPolarHBondContact O-CA 3.33Å; L2228-S2231 PolarHBondContact O-N 2.96Å; L2228-S2231 PolarHBondContact O-OG 2.93Å; L2228-S2231 VanDerWaalsContact O-OG 3.05Å; L2228-T2232 WeakPolarHBondContact O-CB 3.32Å; L2228-T2232 VanDerWaalsContact O-CG2 3.26Å; L2228-T2232 WeakPolarHBondContact O-CG2 3.26Å; L2228-T2232 PolarHBondContact O-N 3.19Å; L2228-T2232 VanDerWaalsContact O-N 3.12Å; L2228-T2232 PolarHBondContact O-OG1 3.17Å; L2228-T2232 VanDerWaalsContact O-OG1 3.08Å; L2228-N2299 VanDerWaalsContact CD2-ND2 3.3Å; L2228-N2299 WeakPolarHBondContact CD2-ND2 3.48Å; L2228-F2301 HydrophobicContact CB-CE2 4.1Å; L2228-F2301 HydrophobicContact CB-CZ 3.7Å; L2228-F2301 HydrophobicContact CD2-CE2 3.98Å; L2228-F2301 HydrophobicContact CD2-CZ 3.89Å; L2228-F2301 HydrophobicContact CG-CZ 4.44Å
2229	S	58.3	Low	62.9	Low	23.4 Å²	23.4	60.4 Å²	60.4	16%	0.164	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-56.1	-35.4	175.9	63.9	0	0	0	0	112.4	D2227 S2231 T2232	D2227-S2229 VanDerWaalsContact CG-OG 3.24Å; D2227-S2229 PolarHBondContact O-N 3.04Å; D2227-S2229 VanDerWaalsContact O-N 3.13Å; D2227-S2229 VanDerWaalsContact OD1-CB 3.31Å; D2227-S2229 WeakPolarHBondContact OD1-CB 3.36Å; D2227-S2229 PolarHBondContact OD1-N 3.05Å; D2227-S2229 PolarHBondContact OD1-OG 3.06Å; D2227-S2229 PolarHBondContact OD2-OG 3Å; D2227-S2229 VanDerWaalsContact OD2-OG 3.1Å; S2229-S2231 VanDerWaalsContact C-N 3.29Å; S2229-S2231 PolarHBondContact O-N 3.33Å; S2229-T2232 WeakPolarHBondContact CA-OG1 3.32Å; S2229-T2232 PolarHBondContact O-N 3.04Å; S2229-T2232 PolarHBondContact O-OG1 3.02Å; S2229-T2232 VanDerWaalsContact O-OG1 3.08Å
2230	T	62.7	Low	65.3	Low	22.8 Å²	22.8	58.4 Å²	58.4	14%	0.14	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-80.3	-13.4	177.9	68.5	0	0	0	0	113.6	F1854 Q1855 F1856 P2018 N2045 D2227 L2228	F1854-T2230 HydrophobicContact CD1-CG2 4.21Å; F1854-T2230 HydrophobicContact CE1-CG2 3.61Å; F1854-T2230 HydrophobicContact CE2-CG2 4.05Å; F1854-T2230 HydrophobicContact CZ-CG2 3.53Å; Q1855-T2230 HydrophobicContact CB-CG2 3.61Å; Q1855-T2230 HydrophobicContact CG-CG2 4.41Å; F1856-T2230 HydrophobicContact CD1-CG2 4.02Å; F1856-T2230 HydrophobicContact CD2-CG2 3.68Å; F1856-T2230 HydrophobicContact CE1-CG2 3.73Å; F1856-T2230 HydrophobicContact CE2-CG2 3.39Å; F1856-T2230 HydrophobicContact CG-CG2 3.98Å; F1856-T2230 HydrophobicContact CZ-CG2 3.38Å; P2018-T2230 VanDerWaalsContact CG-O 3.22Å; P2018-T2230 WeakPolarHBondContact CG-O 3.22Å; N2045-T2230 VanDerWaalsContact ND2-CB 3.32Å; N2045-T2230 WeakPolarHBondContact ND2-CB 3.27Å; N2045-T2230 PolarHBondContact ND2-O 3.11Å; N2045-T2230 PolarHBondContact ND2-OG1 3.15Å; N2045-T2230 PolarHBondContact OD1-O 3Å; D2227-T2230 HydrophobicContact CB-CG2 4.29Å; D2227-T2230 PolarHBondContact O-N 2.96Å; D2227-T2230 VanDerWaalsContact O-N 3.12Å; D2227-T2230 PolarHBondContact O-OG1 3.02Å; L2228-T2230 PolarHBondContact O-N 3.04Å; L2228-T2230 VanDerWaalsContact O-N 3.11Å
2231	S	72.3	Confident	67.2	Low	19.8 Å²	19.8	55.7 Å²	55.7	14%	0.138	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-114.2	18.5	-179.3	110.5	0	0	0	0	112.1	S2042 L2228 S2229 N2271	S2042-S2231 VanDerWaalsContact CB-C 3.48Å; S2042-S2231 WeakPolarHBondContact CB-O 3.36Å; S2042-S2231 PolarHBondContact OG-O 3.23Å; L2228-S2231 VanDerWaalsContact CA-OG 3.31Å; L2228-S2231 WeakPolarHBondContact CA-OG 3.39Å; L2228-S2231 CarbonylContact O-C 3.56Å; L2228-S2231 VanDerWaalsContact O-C 3.27Å; L2228-S2231 WeakPolarHBondContact O-CA 3.33Å; L2228-S2231 PolarHBondContact O-N 2.96Å; L2228-S2231 PolarHBondContact O-OG 2.93Å; L2228-S2231 VanDerWaalsContact O-OG 3.05Å; S2229-S2231 VanDerWaalsContact C-N 3.29Å; S2229-S2231 PolarHBondContact O-N 3.33Å; S2231-N2271 VanDerWaalsContact O-CB 3.23Å; S2231-N2271 WeakPolarHBondContact O-CB 3.4Å
2232	T	82.7	Confident	68.6	Low	1.2 Å²	1.2	49.1 Å²	49.1	1%	0.007	25%	0.25	C	S	.	.			trans	-116.8	145.5	177.8	36.6	0	0	0	0	111	P2018 H2019 L2228 S2229 N2271 L2274 F2301	P2018-T2232 VanDerWaalsContact CA-O 3.29Å; P2018-T2232 WeakPolarHBondContact CA-O 3.21Å; H2019-T2232 PolarHBondContact N-O 2.93Å; L2228-T2232 WeakPolarHBondContact O-CB 3.32Å; L2228-T2232 VanDerWaalsContact O-CG2 3.26Å; L2228-T2232 WeakPolarHBondContact O-CG2 3.26Å; L2228-T2232 PolarHBondContact O-N 3.19Å; L2228-T2232 VanDerWaalsContact O-N 3.12Å; L2228-T2232 PolarHBondContact O-OG1 3.17Å; L2228-T2232 VanDerWaalsContact O-OG1 3.08Å; S2229-T2232 WeakPolarHBondContact CA-OG1 3.32Å; S2229-T2232 PolarHBondContact O-N 3.04Å; S2229-T2232 PolarHBondContact O-OG1 3.02Å; S2229-T2232 VanDerWaalsContact O-OG1 3.08Å; T2232-N2271 VanDerWaalsContact CA-O 3.28Å; T2232-N2271 WeakPolarHBondContact CA-O 3.45Å; T2232-N2271 HydrophobicContact CG2-CB 4.37Å; T2232-N2271 WeakPolarHBondContact CG2-O 3.47Å; T2232-L2274 HydrophobicContact CG2-CB 3.51Å; T2232-L2274 WeakPolarHBondContact OG1-CD2 3.44Å; T2232-F2301 HydrophobicContact CG2-CB 3.97Å; T2232-F2301 HydrophobicContact CG2-CD2 3.63Å; T2232-F2301 VanDerWaalsContact CG2-CD2 3.46Å; T2232-F2301 HydrophobicContact CG2-CE2 3.13Å; T2232-F2301 HydrophobicContact CG2-CG 4.39Å; T2232-F2301 HydrophobicContact CG2-CZ 3.95Å
2233	W	91.2	Very high	69.4	Low	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-114	177.7	171.6	65	-75.4	0	0	0	110	F2016 F2040 I2236 I2269 E2270 N2271 A2272 G2273 L2274	F2016-W2233 HydrophobicContact CB-CB 3.49Å; F2016-W2233 VanDerWaalsContact CB-CB 3.44Å; F2016-W2233 HydrophobicContact CB-CD2 3.98Å; F2016-W2233 HydrophobicContact CB-CE3 4.04Å; F2016-W2233 HydrophobicContact CB-CG 3.78Å; F2016-W2233 AromaticContact CD1-CE3 3.94Å; F2016-W2233 HydrophobicContact CD1-CE3 4.01Å; F2016-W2233 HydrophobicContact CD1-CZ3 4.35Å; F2016-W2233 AromaticContact CD2-CD2 3.82Å; F2016-W2233 HydrophobicContact CD2-CD2 3.82Å; F2016-W2233 AromaticContact CD2-CE2 3.98Å; F2016-W2233 AromaticContact CD2-CE3 3.67Å; F2016-W2233 HydrophobicContact CD2-CE3 3.67Å; F2016-W2233 HydrophobicContact CD2-CG 4.38Å; F2016-W2233 HydrophobicContact CD2-CH2 4.22Å; F2016-W2233 HydrophobicContact CD2-CZ2 4.37Å; F2016-W2233 AromaticContact CD2-CZ3 3.85Å; F2016-W2233 HydrophobicContact CD2-CZ3 3.89Å; F2016-W2233 HydrophobicContact CE1-CE3 4.4Å; F2016-W2233 HydrophobicContact CE1-CZ3 4.27Å; F2016-W2233 HydrophobicContact CE2-CD2 4.3Å; F2016-W2233 AromaticContact CE2-CE3 3.87Å; F2016-W2233 HydrophobicContact CE2-CE3 4.11Å; F2016-W2233 AromaticContact CE2-CH2 3.73Å; F2016-W2233 HydrophobicContact CE2-CH2 4.01Å; F2016-W2233 HydrophobicContact CE2-CZ2 4.18Å; F2016-W2233 AromaticContact CE2-CZ3 3.83Å; F2016-W2233 HydrophobicContact CE2-CZ3 3.83Å; F2016-W2233 HydrophobicContact CG-CB 4.38Å; F2016-W2233 AromaticContact CG-CD2 3.95Å; F2016-W2233 HydrophobicContact CG-CD2 3.95Å; F2016-W2233 AromaticContact CG-CE3 3.64Å; F2016-W2233 HydrophobicContact CG-CE3 3.64Å; F2016-W2233 HydrophobicContact CG-CG 4.29Å; F2016-W2233 HydrophobicContact CG-CZ3 4.17Å; F2016-W2233 HydrophobicContact CZ-CE3 4.43Å; F2016-W2233 HydrophobicContact CZ-CH2 4.41Å; F2016-W2233 AromaticContact CZ-CZ3 3.89Å; F2016-W2233 HydrophobicContact CZ-CZ3 4.03Å; F2040-W2233 HydrophobicContact CB-CH2 3.85Å; F2040-W2233 HydrophobicContact CB-CZ2 3.61Å; F2040-W2233 HydrophobicContact CD1-CH2 4.45Å; F2040-W2233 HydrophobicContact CG-CH2 4.48Å; W2233-I2236 HydrophobicContact CH2-CD1 4.15Å; W2233-I2236 HydrophobicContact CH2-CG1 3.66Å; W2233-I2236 HydrophobicContact CZ3-CG1 4.11Å; W2233-I2269 HydrophobicContact CH2-CG2 4.49Å; W2233-I2269 HydrophobicContact CZ2-CG2 3.97Å; W2233-E2270 PolarHBondContact NE1-O 3.01Å; W2233-N2271 PolarHBondContact N-O 2.95Å; W2233-N2271 VanDerWaalsContact N-O 3.11Å; W2233-A2272 HydrophobicContact CD2-CB 4.29Å; W2233-A2272 HydrophobicContact CH2-CB 4.4Å; W2233-A2272 HydrophobicContact CZ2-CB 3.91Å; W2233-A2272 CarbonylContact O-C 3.57Å; W2233-A2272 WeakPolarHBondContact O-CA 3.46Å; W2233-G2273 PolarHBondContact O-N 3.1Å; W2233-L2274 CarbonylContact C-O 3.5Å; W2233-L2274 VanDerWaalsContact C-O 3.31Å; W2233-L2274 PolarHBondContact O-N 3.09Å; W2233-L2274 VanDerWaalsContact O-N 3.11Å
2234	G	89.2	Confident	70.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.			trans	-65.7	-116.5	-178.4	0	0	0	0	0	112.8	I2020 G2273 L2274	I2020-G2234 VanDerWaalsContact O-CA 3.27Å; I2020-G2234 WeakPolarHBondContact O-CA 3.36Å; I2020-G2234 PolarHBondContact O-N 3.03Å; G2234-G2273 VanDerWaalsContact O-CA 3.29Å; G2234-G2273 WeakPolarHBondContact O-CA 3.3Å; G2234-G2273 PolarHBondContact O-N 3.09Å; G2234-L2274 VanDerWaalsContact CA-O 3.26Å; G2234-L2274 WeakPolarHBondContact CA-O 3.38Å; G2234-L2274 PolarHBondContact N-O 2.96Å; G2234-L2274 PolarHBondContact O-N 2.93Å
2235	N	93.7	Very high	70.6	Confident	0.2 Å²	0.2	36.5 Å²	36.5	0%	0.001	20%	0.203	C	C	.	.			trans	-155.4	175.6	-180	63.1	-6.9	0	0	0	111.8	G2021 L2022 R2237 V2280 P2281 A2282 T2284	G2021-N2235 CarbonylContact C-O 3.54Å; G2021-N2235 VanDerWaalsContact CA-O 3.31Å; G2021-N2235 WeakPolarHBondContact CA-O 3.37Å; L2022-N2235 PolarHBondContact N-O 3.05Å; N2235-R2237 WeakPolarHBondContact ND2-CG 3.28Å; N2235-R2237 WeakPolarHBondContact OD1-CD 3.29Å; N2235-R2237 WeakPolarHBondContact OD1-CG 3.21Å; N2235-R2237 PolarHBondContact OD1-NE 2.84Å; N2235-R2237 VanDerWaalsContact OD1-NE 3.09Å; N2235-V2280 HydrophobicContact CB-CG2 3.88Å; N2235-V2280 WeakPolarHBondContact ND2-CG2 3.31Å; N2235-P2281 WeakPolarHBondContact CB-O 3.34Å; N2235-P2281 PolarHBondContact ND2-O 3.01Å; N2235-A2282 WeakPolarHBondContact CB-O 3.31Å; N2235-T2284 PolarHBondContact ND2-OG1 3.18Å
2236	I	95.5	Very high	71	Confident	0.6 Å²	0.6	34.3 Å²	34.3	0%	0.003	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124	164.1	-54.6	177.9	0	0	0	107.8	L2022 F2040 W2233 I2238 I2269 A2282 L2283 T2284	L2022-I2236 HydrophobicContact CB-CG1 4.47Å; L2022-I2236 HydrophobicContact CD2-CG1 4.44Å; L2022-I2236 HydrophobicContact CD2-CG2 4.17Å; L2022-I2236 HydrophobicContact CG-CG2 4.39Å; L2022-I2236 CarbonylContact O-C 3.54Å; L2022-I2236 WeakPolarHBondContact O-CA 3.42Å; F2040-I2236 HydrophobicContact CB-CD1 4.48Å; F2040-I2236 HydrophobicContact CD1-CD1 3.94Å; F2040-I2236 HydrophobicContact CD2-CD1 4Å; F2040-I2236 HydrophobicContact CE1-CD1 4.11Å; F2040-I2236 HydrophobicContact CE2-CD1 4.13Å; F2040-I2236 HydrophobicContact CG-CD1 3.92Å; F2040-I2236 HydrophobicContact CZ-CD1 4.2Å; W2233-I2236 HydrophobicContact CH2-CD1 4.15Å; W2233-I2236 HydrophobicContact CH2-CG1 3.66Å; W2233-I2236 HydrophobicContact CZ3-CG1 4.11Å; I2236-I2238 HydrophobicContact CG2-CG1 4.25Å; I2236-I2269 HydrophobicContact CD1-CD1 3.96Å; I2236-I2269 HydrophobicContact CD1-CG1 4.38Å; I2236-A2282 PolarHBondContact N-O 2.94Å; I2236-L2283 HydrophobicContact CB-CD1 3.81Å; I2236-L2283 HydrophobicContact CG2-CD1 3.81Å; I2236-L2283 CarbonylContact O-C 3.54Å; I2236-L2283 WeakPolarHBondContact O-CA 3.37Å; I2236-T2284 PolarHBondContact O-N 3.11Å
2237	R	94	Very high	70.7	Confident	16.8 Å²	16.8	34.9 Å²	34.9	6%	0.063	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.1	175.2	-73.9	176	-83.4	153.7	4.7	109.4	N1935 L2022 L2023 V2024 N2235 V2239 L2275 T2284 E2400 F2404	N1935-R2237 VanDerWaalsContact CG-NH2 3.26Å; N1935-R2237 PolarHBondContact ND2-NH2 3.1Å; N1935-R2237 VanDerWaalsContact ND2-NH2 3.15Å; N1935-R2237 PolarHBondContact OD1-NH1 3.05Å; N1935-R2237 PolarHBondContact OD1-NH2 3.22Å; L2022-R2237 PolarHBondContact O-N 3.02Å; L2023-R2237 CarbonylContact C-O 3.43Å; L2023-R2237 WeakPolarHBondContact CA-O 3.41Å; L2023-R2237 HydrophobicContact CD1-CB 3.76Å; V2024-R2237 PolarHBondContact N-O 2.97Å; N2235-R2237 WeakPolarHBondContact ND2-CG 3.28Å; N2235-R2237 WeakPolarHBondContact OD1-CD 3.29Å; N2235-R2237 WeakPolarHBondContact OD1-CG 3.21Å; N2235-R2237 PolarHBondContact OD1-NE 2.84Å; N2235-R2237 VanDerWaalsContact OD1-NE 3.09Å; R2237-V2239 HydrophobicContact CB-CG2 4.43Å; R2237-L2275 VanDerWaalsContact NH1-CD2 3.25Å; R2237-L2275 VanDerWaalsContact NH2-CD2 3.32Å; R2237-T2284 CarbonylContact C-O 3.52Å; R2237-T2284 VanDerWaalsContact CA-O 3.28Å; R2237-T2284 WeakPolarHBondContact CA-O 3.3Å; R2237-E2400 IonicContact CZ-OE1 3.87Å; R2237-E2400 IonicContact NE-OE1 3.66Å; R2237-E2400 PolarHBondContact NE-OE1 2.85Å; R2237-E2400 IonicContact NH2-OE1 3.79Å; R2237-E2400 PolarHBondContact NH2-OE1 2.95Å; R2237-F2404 VanDerWaalsContact NH1-CE2 3.32Å
2238	I	94.3	Very high	70	Confident	2.4 Å²	2.4	37.1 Å²	37.1	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	109.6	173.5	-54.4	175.7	0	0	0	108.1	V2024 I2028 I2236 L2264 L2283 T2284 I2285 V2286 A2288 P2290	V2024-I2238 HydrophobicContact CB-CG1 4.33Å; V2024-I2238 HydrophobicContact CG2-CG1 4.49Å; I2028-I2238 HydrophobicContact CG2-CD1 3.87Å; I2028-I2238 HydrophobicContact CG2-CG1 4.35Å; I2236-I2238 HydrophobicContact CG2-CG1 4.25Å; I2238-L2264 HydrophobicContact CD1-CD1 3.7Å; I2238-L2264 VanDerWaalsContact CD1-CD1 3.48Å; I2238-L2264 HydrophobicContact CD1-CD2 4.27Å; I2238-L2264 HydrophobicContact CD1-CG 4.38Å; I2238-L2283 HydrophobicContact CD1-CD1 4.26Å; I2238-L2283 HydrophobicContact CG1-CD1 4.44Å; I2238-T2284 PolarHBondContact N-O 3.05Å; I2238-I2285 HydrophobicContact CB-CG1 4.28Å; I2238-I2285 HydrophobicContact CD1-CG1 4.44Å; I2238-I2285 CarbonylContact O-C 3.48Å; I2238-I2285 VanDerWaalsContact O-CA 3.3Å; I2238-I2285 WeakPolarHBondContact O-CA 3.44Å; I2238-V2286 PolarHBondContact O-N 3.02Å; I2238-A2288 HydrophobicContact CG2-CB 3.93Å; I2238-P2290 HydrophobicContact CD1-CG 4.4Å
2239	V	90.7	Very high	69.1	Low	4 Å²	4	41.6 Å²	41.6	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.2	-174.6	-179.1	0	0	0	0	108	L2023 V2024 L2025 R2237 P2241 V2286 F2404	L2023-V2239 HydrophobicContact CD1-CG2 4.02Å; V2024-V2239 PolarHBondContact O-N 2.98Å; V2024-V2239 VanDerWaalsContact O-O 3.13Å; L2025-V2239 WeakPolarHBondContact CA-O 3.38Å; L2025-V2239 HydrophobicContact CD2-CB 4.1Å; L2025-V2239 HydrophobicContact CD2-CG1 4.39Å; R2237-V2239 HydrophobicContact CB-CG2 4.43Å; V2239-P2241 WeakPolarHBondContact O-CD 3.33Å; V2239-V2286 WeakPolarHBondContact CA-O 3.43Å; V2239-V2286 HydrophobicContact CG1-CB 4.35Å; V2239-V2286 HydrophobicContact CG2-CB 4.2Å; V2239-V2286 HydrophobicContact CG2-CG2 4.26Å; V2239-F2404 HydrophobicContact CB-CB 4.43Å; V2239-F2404 HydrophobicContact CG1-CB 4.2Å; V2239-F2404 WeakPolarHBondContact CG1-O 3.39Å; V2239-F2404 HydrophobicContact CG2-CB 3.87Å
2240	Q	84.9	Confident	68.1	Low	87.4 Å²	87.4	46.7 Å²	46.7	41%	0.408	26%	0.255	S	S	.	.			trans	-88.2	105.5	169.6	-177.6	73.8	62.2	0	0	108.6	N2242 V2286 Y2287 A2288	Q2240-N2242 PolarHBondContact O-N 3.16Å; Q2240-V2286 PolarHBondContact N-O 2.97Å; Q2240-Y2287 WeakPolarHBondContact O-CB 3.37Å; Q2240-A2288 HydrophobicContact CB-CB 4Å
2241	P	69.9	Low	66.9	Low	18.2 Å²	18.2	51.3 Å²	51.3	12%	0.118	29%	0.285	C	S	.	.			trans	-63.4	136.4	175.9	24	-32.6	0	0	0	111	P2002 L2025 V2239 S2243 Y2246	P2002-P2241 HydrophobicContact CB-CG 4.35Å; P2002-P2241 HydrophobicContact CG-CG 4.29Å; L2025-P2241 HydrophobicContact CB-CG 4.47Å; L2025-P2241 VanDerWaalsContact O-CD 3.26Å; L2025-P2241 WeakPolarHBondContact O-CD 3.32Å; V2239-P2241 WeakPolarHBondContact O-CD 3.33Å; P2241-S2243 PolarHBondContact O-N 3.03Å; P2241-Y2246 HydrophobicContact CB-CD2 3.74Å; P2241-Y2246 VanDerWaalsContact CB-CD2 3.49Å; P2241-Y2246 HydrophobicContact CB-CE1 4.3Å; P2241-Y2246 HydrophobicContact CB-CE2 3.47Å; P2241-Y2246 HydrophobicContact CB-CG 4.27Å; P2241-Y2246 HydrophobicContact CG-CD2 4.47Å; P2241-Y2246 HydrophobicContact CG-CE2 4.18Å
2242	N	62.9	Low	65.1	Low	56.4 Å²	56.4	57.5 Å²	57.5	30%	0.302	32%	0.317	S	S	.	.			trans	-66.6	120.7	169.3	-74.2	-19.4	0	0	0	108.8	Q2240 E2244 H2245 Y2246	Q2240-N2242 PolarHBondContact O-N 3.16Å; N2242-E2244 PolarHBondContact O-N 2.97Å; N2242-H2245 PolarHBondContact O-N 3.17Å; N2242-H2245 VanDerWaalsContact O-N 3.09Å; N2242-Y2246 VanDerWaalsContact O-CD2 3.31Å; N2242-Y2246 WeakPolarHBondContact O-CD2 3.27Å
2243	S	52.1	Low	62.8	Low	98.6 Å²	98.6	63.2 Å²	63.2	69%	0.69	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-6.3	-170.6	56.9	0	0	0	0	115.9	P2241 H2245 Y2246	P2241-S2243 PolarHBondContact O-N 3.03Å; S2243-H2245 VanDerWaalsContact C-N 3.31Å; S2243-H2245 PolarHBondContact O-N 3.44Å; S2243-Y2246 PolarHBondContact O-N 3.04Å
2244	E	50.6	Low	60.2	Low	64.2 Å²	64.2	72.7 Å²	72.7	30%	0.3	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-26	-176.9	-70.1	170.6	-160.3	0	0	113.9	N2242 P2247 L2419 R2544	N2242-E2244 PolarHBondContact O-N 2.97Å; E2244-P2247 WeakPolarHBondContact O-CG 3.04Å; E2244-L2419 WeakPolarHBondContact OE1-CD2 3.28Å; E2244-L2419 WeakPolarHBondContact OE2-CB 3.41Å; E2244-R2544 IonicContact OE1-CZ 3.22Å; E2244-R2544 IonicContact OE1-NH1 3.58Å; E2244-R2544 PolarHBondContact OE1-NH1 3.07Å; E2244-R2544 IonicContact OE1-NH2 3.2Å; E2244-R2544 PolarHBondContact OE1-NH2 3.07Å; E2244-R2544 IonicContact OE2-NH1 2.58Å
2245	H	46.2	Very low	57.5	Low	56.4 Å²	56.4	78.6 Å²	78.6	26%	0.261	42%	0.42	S	S	.	.	S	Bend	trans	-92.6	-4.4	-178.6	-79.6	66.5	0	0	0	113.7	N2242 S2243 P2247 I2407 S2417	N2242-H2245 PolarHBondContact O-N 3.17Å; N2242-H2245 VanDerWaalsContact O-N 3.09Å; S2243-H2245 VanDerWaalsContact C-N 3.31Å; S2243-H2245 PolarHBondContact O-N 3.44Å; H2245-P2247 VanDerWaalsContact C-CD 3.49Å; H2245-P2247 WeakPolarHBondContact O-CD 3.19Å; H2245-I2407 VanDerWaalsContact NE2-CD1 3.34Å; H2245-I2407 WeakPolarHBondContact NE2-CD1 3.5Å; H2245-S2417 PolarHBondContact CE1-O 2.86Å
2246	Y	47.3	Very low	54.8	Low	65.2 Å²	65.2	84.6 Å²	84.6	26%	0.256	46%	0.457	S	S	.	.			trans	-119.1	68.7	179.1	-60.4	-87.7	0	0	0	112.1	I1905 P2002 P2241 N2242 S2243 T2248	I1905-Y2246 HydrophobicContact CB-CE1 4.19Å; I1905-Y2246 VanDerWaalsContact CD1-OH 3.28Å; I1905-Y2246 WeakPolarHBondContact CD1-OH 3.37Å; I1905-Y2246 HydrophobicContact CG1-CE1 4.46Å; I1905-Y2246 WeakPolarHBondContact O-CE1 3.46Å; P2002-Y2246 HydrophobicContact CG-CD1 3.91Å; P2002-Y2246 HydrophobicContact CG-CE1 4.09Å; P2241-Y2246 HydrophobicContact CB-CD2 3.74Å; P2241-Y2246 VanDerWaalsContact CB-CD2 3.49Å; P2241-Y2246 HydrophobicContact CB-CE1 4.3Å; P2241-Y2246 HydrophobicContact CB-CE2 3.47Å; P2241-Y2246 HydrophobicContact CB-CG 4.27Å; P2241-Y2246 HydrophobicContact CG-CD2 4.47Å; P2241-Y2246 HydrophobicContact CG-CE2 4.18Å; N2242-Y2246 VanDerWaalsContact O-CD2 3.31Å; N2242-Y2246 WeakPolarHBondContact O-CD2 3.27Å; S2243-Y2246 PolarHBondContact O-N 3.04Å; Y2246-T2248 VanDerWaalsContact C-N 3.28Å; Y2246-T2248 PolarHBondContact O-N 2.89Å; Y2246-T2248 VanDerWaalsContact O-N 3.11Å
2247	P	39.2	Very low	52.3	Low	101 Å²	101	92.5 Å²	92.5	66%	0.656	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-1.6	177.8	9.4	-7	0	0	0	112.8	E2244 H2245 M2249	E2244-P2247 WeakPolarHBondContact O-CG 3.04Å; H2245-P2247 VanDerWaalsContact C-CD 3.49Å; H2245-P2247 WeakPolarHBondContact O-CD 3.19Å; P2247-M2249 VanDerWaalsContact C-N 3.27Å; P2247-M2249 PolarHBondContact O-N 2.9Å
2248	T	38.4	Very low	50	Low	113.2 Å²	113.2	96.6 Å²	96.6	69%	0.694	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	27	-165.3	46.6	0	0	0	0	114.6	Y2246 L2250	Y2246-T2248 VanDerWaalsContact C-N 3.28Å; Y2246-T2248 PolarHBondContact O-N 2.89Å; Y2246-T2248 VanDerWaalsContact O-N 3.11Å; T2248-L2250 PolarHBondContact O-N 3.39Å
2249	M	35.7	Very low	48.3	Very low	121.8 Å²	121.8	103.9 Å²	103.9	60%	0.6	55%	0.547	S	S	*	.	S	Bend	trans	-112.7	44.7	177.3	-68.6	-63.9	-169.4	0	0	113.1	F1908 P2247 P2251	F1908-M2249 HydrophobicContact CE2-CE 4.23Å; F1908-M2249 HydrophobicContact CZ-CE 4.15Å; P2247-M2249 VanDerWaalsContact C-N 3.27Å; P2247-M2249 PolarHBondContact O-N 2.9Å; M2249-P2251 WeakPolarHBondContact O-CD 3.17Å
2250	L	36.8	Very low	47.5	Very low	130.8 Å²	130.8	110.1 Å²	110.1	69%	0.685	57%	0.574	S	S	*	*			trans	-151.9	87.6	174.8	-70.7	152.4	0	0	0	113	T2248 N2252 Y2257	T2248-L2250 PolarHBondContact O-N 3.39Å; L2250-N2252 VanDerWaalsContact C-N 3.26Å; L2250-N2252 PolarHBondContact O-N 2.94Å; L2250-N2252 VanDerWaalsContact O-N 3.14Å; L2250-Y2257 HydrophobicContact CD2-CD2 4.43Å; L2250-Y2257 HydrophobicContact CD2-CE2 3.85Å
2251	P	36.5	Very low	47.5	Very low	118.4 Å²	118.4	110.2 Å²	110.2	77%	0.769	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	30	172.9	-2.3	8	0	0	0	113.3	M2249 N2253	M2249-P2251 WeakPolarHBondContact O-CD 3.17Å; P2251-N2253 PolarHBondContact O-N 3.03Å
2252	N	35.2	Very low	48.7	Very low	151.2 Å²	151.2	110 Å²	110	81%	0.809	57%	0.573	S	S	*	*	S	Bend	trans	-94	33.8	-179.7	-75.9	-6	0	0	0	116.6	L2250	L2250-N2252 VanDerWaalsContact C-N 3.26Å; L2250-N2252 PolarHBondContact O-N 2.94Å; L2250-N2252 VanDerWaalsContact O-N 3.14Å
2253	N	34.8	Very low	50.2	Low	120.6 Å²	120.6	107.5 Å²	107.5	65%	0.645	56%	0.56	S	S	*	*			trans	-133.9	104.6	162.2	-96.2	-18.4	0	0	0	110.8	P2251 M2255 Y2257	P2251-N2253 PolarHBondContact O-N 3.03Å; N2253-M2255 HydrophobicContact CB-CB 4.3Å; N2253-M2255 HydrophobicContact CB-CG 4.29Å; N2253-M2255 PolarHBondContact O-N 3.21Å; N2253-Y2257 HydrophobicContact CB-CE2 4.3Å
2254	H	35.5	Very low	52.3	Low	199.8 Å²	199.8	103 Å²	103	93%	0.925	53%	0.528	S	S	*	.			trans	-68	48.6	159.1	-75.7	-77.1	0	0	0	110.7	T2256	H2254-T2256 PolarHBondContact O-N 3.12Å; H2254-T2256 VanDerWaalsContact O-N 3.11Å
2255	M	34.1	Very low	54.4	Low	122.4 Å²	122.4	101 Å²	101	60%	0.603	52%	0.519	S	S	*	.			trans	-70.8	111.3	165.8	-85.2	-110.6	-76.9	0	0	107.4	N2253 Y2257	N2253-M2255 HydrophobicContact CB-CB 4.3Å; N2253-M2255 HydrophobicContact CB-CG 4.29Å; N2253-M2255 PolarHBondContact O-N 3.21Å; M2255-Y2257 VanDerWaalsContact C-N 3.33Å; M2255-Y2257 HydrophobicContact CB-CD2 4.49Å; M2255-Y2257 HydrophobicContact CB-CE2 4.41Å; M2255-Y2257 WeakPolarHBondContact O-CD2 3.38Å; M2255-Y2257 PolarHBondContact O-N 2.96Å
2256	T	35.8	Very low	56.9	Low	126.4 Å²	126.4	101.5 Å²	101.5	78%	0.775	52%	0.519	S	S	*	.			trans	-55.2	95.5	163.7	43.3	0	0	0	0	108.4	H2254 T2258	H2254-T2256 PolarHBondContact O-N 3.12Å; H2254-T2256 VanDerWaalsContact O-N 3.11Å; T2256-T2258 VanDerWaalsContact C-N 3.31Å; T2256-T2258 PolarHBondContact O-N 3.03Å
2257	Y	44.4	Very low	59.2	Low	167.6 Å²	167.6	98.4 Å²	98.4	66%	0.657	51%	0.507	S	S	*	.			trans	-58.5	94.2	172.3	-75.7	-85.7	0	0	0	108.3	L2250 N2253 M2255 K2259	L2250-Y2257 HydrophobicContact CD2-CD2 4.43Å; L2250-Y2257 HydrophobicContact CD2-CE2 3.85Å; N2253-Y2257 HydrophobicContact CB-CE2 4.3Å; M2255-Y2257 VanDerWaalsContact C-N 3.33Å; M2255-Y2257 HydrophobicContact CB-CD2 4.49Å; M2255-Y2257 HydrophobicContact CB-CE2 4.41Å; M2255-Y2257 WeakPolarHBondContact O-CD2 3.38Å; M2255-Y2257 PolarHBondContact O-N 2.96Å; Y2257-K2259 PolarHBondContact O-N 3.02Å; Y2257-K2259 VanDerWaalsContact O-N 3.1Å
2258	T	44.7	Very low	62	Low	103.6 Å²	103.6	95.1 Å²	95.1	64%	0.636	48%	0.483	S	S	*	.			trans	-60.5	112.7	164.3	54.5	0	0	0	0	105.6	T2256 K2260	T2256-T2258 VanDerWaalsContact C-N 3.31Å; T2256-T2258 PolarHBondContact O-N 3.03Å; T2258-K2260 PolarHBondContact O-N 3.14Å
2259	K	58.8	Low	64.7	Low	155 Å²	155	89.8 Å²	89.8	67%	0.674	45%	0.451	S	S	*	.			trans	-64.5	69.1	179.8	-70.2	-177.8	176.8	-179.1	0	110.3	Y2257 Q2261	Y2257-K2259 PolarHBondContact O-N 3.02Å; Y2257-K2259 VanDerWaalsContact O-N 3.1Å; K2259-Q2261 PolarHBondContact O-N 3.2Å
2260	K	74.3	Confident	67.5	Low	134.4 Å²	134.4	86.9 Å²	86.9	58%	0.584	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-71.5	125.3	172.6	-70.4	-174.7	-178.9	177.8	0	107.7	R2027 T2258	R2027-K2260 WeakPolarHBondContact CD-O 3.05Å; T2258-K2260 PolarHBondContact O-N 3.14Å
2261	Q	85.1	Confident	70.1	Confident	89.4 Å²	89.4	82.2 Å²	82.2	42%	0.418	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-66	147.4	175.3	21.5	-179.6	-3.8	0	0	110.6	R2027 K2259 V2263 Y2289	R2027-Q2261 PolarHBondContact NE-O 2.92Å; R2027-Q2261 PolarHBondContact NH2-O 3.07Å; K2259-Q2261 PolarHBondContact O-N 3.2Å; Q2261-V2263 HydrophobicContact CG-CG2 4.41Å; Q2261-Y2289 HydrophobicContact CB-CD2 4.49Å; Q2261-Y2289 HydrophobicContact CB-CE2 4.26Å; Q2261-Y2289 HydrophobicContact CG-CD2 4.25Å; Q2261-Y2289 HydrophobicContact CG-CE2 3.87Å
2262	S	93.3	Very high	72.7	Confident	13.2 Å²	13.2	76.6 Å²	76.6	9%	0.092	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-65.1	151.3	163.1	-68.1	0	0	0	0	109.8	I2028 P2290 K2291	I2028-S2262 PolarHBondContact N-OG 3.11Å; I2028-S2262 VanDerWaalsContact N-OG 3.12Å; I2028-S2262 CarbonylContact O-C 3.47Å; I2028-S2262 VanDerWaalsContact O-CA 3.23Å; I2028-S2262 WeakPolarHBondContact O-CA 3.25Å; I2028-S2262 WeakPolarHBondContact O-CB 3.41Å; S2262-P2290 CarbonylContact O-C 3.53Å; S2262-P2290 WeakPolarHBondContact O-CA 3.26Å; S2262-P2290 VanDerWaalsContact O-CB 3.27Å; S2262-P2290 WeakPolarHBondContact O-CB 3.34Å; S2262-K2291 PolarHBondContact O-N 3.04Å
2263	V	95	Very high	75.3	Confident	5.2 Å²	5.2	69.4 Å²	69.4	3%	0.032	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.6	-173.4	-179.9	0	0	0	0	109.6	I2028 A2030 R2031 Q2261 E2265 K2291	I2028-V2263 PolarHBondContact O-N 2.96Å; A2030-V2263 PolarHBondContact N-O 3.08Å; R2031-V2263 HydrophobicContact CG-CG1 4.2Å; Q2261-V2263 HydrophobicContact CG-CG2 4.41Å; V2263-E2265 HydrophobicContact CG1-CG 3.64Å; V2263-K2291 HydrophobicContact CG1-CB 4.46Å; V2263-K2291 HydrophobicContact CG2-CB 4.37Å
2264	L	96	Very high	77.7	Confident	2.2 Å²	2.2	63.7 Å²	63.7	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	106	175.5	-68.8	121	0	0	0	108.5	I2028 A2030 I2238 I2267 L2283 P2290 K2291 L2292 S2293 I2295	I2028-L2264 HydrophobicContact CD1-CD2 4.43Å; I2028-L2264 HydrophobicContact CG2-CD1 4.11Å; I2028-L2264 HydrophobicContact CG2-CD2 4.24Å; A2030-L2264 HydrophobicContact CB-CD2 3.98Å; A2030-L2264 WeakPolarHBondContact O-CA 3.4Å; I2238-L2264 HydrophobicContact CD1-CD1 3.7Å; I2238-L2264 VanDerWaalsContact CD1-CD1 3.48Å; I2238-L2264 HydrophobicContact CD1-CD2 4.27Å; I2238-L2264 HydrophobicContact CD1-CG 4.38Å; L2264-I2267 HydrophobicContact CB-CD1 3.63Å; L2264-I2267 HydrophobicContact CD2-CD1 3.81Å; L2264-I2267 HydrophobicContact CG-CD1 3.91Å; L2264-L2283 HydrophobicContact CD1-CD1 4.21Å; L2264-L2283 HydrophobicContact CD1-CD2 3.9Å; L2264-L2283 HydrophobicContact CD2-CD2 4.25Å; L2264-P2290 HydrophobicContact CD1-CB 4.12Å; L2264-K2291 PolarHBondContact N-O 3Å; L2264-L2292 HydrophobicContact CB-CD2 3.9Å; L2264-L2292 HydrophobicContact CD1-CD2 3.97Å; L2264-L2292 HydrophobicContact CD2-CD2 4.33Å; L2264-L2292 HydrophobicContact CG-CD2 4.29Å; L2264-S2293 PolarHBondContact O-N 2.94Å; L2264-S2293 VanDerWaalsContact O-N 3.09Å; L2264-I2295 HydrophobicContact CB-CD1 3.97Å
2265	E	95.9	Very high	80.2	Confident	23.2 Å²	23.2	54.6 Å²	54.6	11%	0.108	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.7	-178.3	-59.1	-178.9	158.2	0	0	110.6	A2030 R2031 G2032 V2263 I2267 K2291 S2293	A2030-E2265 PolarHBondContact O-N 3.13Å; R2031-E2265 IonicContact CZ-OE2 3.06Å; R2031-E2265 IonicContact NE-OE2 3.79Å; R2031-E2265 IonicContact NH1-OE1 3.59Å; R2031-E2265 PolarHBondContact NH1-OE1 2.92Å; R2031-E2265 IonicContact NH1-OE2 3.22Å; R2031-E2265 PolarHBondContact NH1-OE2 3.2Å; G2032-E2265 PolarHBondContact N-O 3.03Å; V2263-E2265 HydrophobicContact CG1-CG 3.64Å; E2265-I2267 WeakPolarHBondContact O-CG1 3.39Å; E2265-K2291 VanDerWaalsContact OE1-CD 3.27Å; E2265-K2291 WeakPolarHBondContact OE1-CD 3.3Å; E2265-K2291 VanDerWaalsContact OE1-CE 3.23Å; E2265-K2291 WeakPolarHBondContact OE1-CE 3.34Å; E2265-K2291 IonicContact OE1-NZ 3.34Å; E2265-K2291 PolarHBondContact OE1-NZ 3.14Å; E2265-S2293 VanDerWaalsContact CA-O 3.28Å; E2265-S2293 WeakPolarHBondContact CA-O 3.36Å; E2265-S2293 WeakPolarHBondContact CG-OG 3.38Å
2266	Y	97.2	Very high	82.4	Confident	66.6 Å²	66.6	51.2 Å²	51.2	26%	0.261	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	63.2	-179.6	-64.3	-84.7	0	0	0	113.3	G2032 H2034 P2037 I2038 S2293 F2294	G2032-Y2266 VanDerWaalsContact C-CB 3.49Å; G2032-Y2266 WeakPolarHBondContact O-CD2 3.38Å; H2034-Y2266 HydrophobicContact CB-CD1 4.38Å; H2034-Y2266 HydrophobicContact CB-CE1 3.97Å; P2037-Y2266 VanDerWaalsContact CA-O 3.32Å; P2037-Y2266 WeakPolarHBondContact CA-O 3.29Å; P2037-Y2266 WeakPolarHBondContact CB-O 3.34Å; I2038-Y2266 PolarHBondContact N-O 2.92Å; Y2266-S2293 PolarHBondContact N-O 3.07Å; Y2266-F2294 CarbonylContact C-O 3.48Å; Y2266-F2294 VanDerWaalsContact CA-O 3.26Å; Y2266-F2294 WeakPolarHBondContact CA-O 3.35Å; Y2266-F2294 HydrophobicContact CD1-CB 3.63Å; Y2266-F2294 HydrophobicContact CD1-CD1 4.39Å; Y2266-F2294 AromaticContact CD1-CG 3.97Å; Y2266-F2294 HydrophobicContact CD1-CG 3.98Å; Y2266-F2294 HydrophobicContact CD2-CB 4.28Å; Y2266-F2294 HydrophobicContact CD2-CD2 4.27Å; Y2266-F2294 HydrophobicContact CD2-CG 4.41Å; Y2266-F2294 HydrophobicContact CE1-CB 3.79Å; Y2266-F2294 AromaticContact CE1-CD1 3.7Å; Y2266-F2294 HydrophobicContact CE1-CD1 3.7Å; Y2266-F2294 AromaticContact CE1-CD2 4Å; Y2266-F2294 HydrophobicContact CE1-CD2 4.04Å; Y2266-F2294 HydrophobicContact CE1-CE1 4.24Å; Y2266-F2294 AromaticContact CE1-CG 3.57Å; Y2266-F2294 HydrophobicContact CE1-CG 3.57Å; Y2266-F2294 HydrophobicContact CE2-CB 4.38Å; Y2266-F2294 AromaticContact CE2-CD2 3.71Å; Y2266-F2294 HydrophobicContact CE2-CD2 3.71Å; Y2266-F2294 HydrophobicContact CE2-CE2 4.13Å; Y2266-F2294 HydrophobicContact CE2-CG 4.08Å; Y2266-F2294 HydrophobicContact CG-CB 3.89Å; Y2266-F2294 HydrophobicContact CG-CG 4.39Å; Y2266-F2294 AromaticContact CZ-CD1 3.92Å; Y2266-F2294 AromaticContact CZ-CD2 3.58Å; Y2266-F2294 AromaticContact CZ-CE2 3.84Å; Y2266-F2294 AromaticContact CZ-CG 3.63Å; Y2266-F2294 PolarHBondContact N-O 2.97Å; Y2266-F2294 WeakPolarHBondContact OH-CZ 3.31Å
2267	I	97	Very high	84.2	Confident	0.8 Å²	0.8	45.6 Å²	45.6	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.4	-174.7	-55.6	-170.9	0	0	0	110.9	A2030 I2038 F2040 L2264 E2265 I2269 F2294 I2295 K2296	A2030-I2267 HydrophobicContact CB-CD1 3.61Å; I2038-I2267 HydrophobicContact CB-CG1 4.38Å; I2038-I2267 CarbonylContact O-C 3.55Å; I2038-I2267 WeakPolarHBondContact O-CA 3.34Å; F2040-I2267 HydrophobicContact CD2-CG2 3.51Å; F2040-I2267 VanDerWaalsContact CD2-CG2 3.49Å; F2040-I2267 HydrophobicContact CE2-CD1 4.33Å; F2040-I2267 HydrophobicContact CE2-CG2 3.52Å; F2040-I2267 VanDerWaalsContact CE2-CG2 3.5Å; L2264-I2267 HydrophobicContact CB-CD1 3.63Å; L2264-I2267 HydrophobicContact CD2-CD1 3.81Å; L2264-I2267 HydrophobicContact CG-CD1 3.91Å; E2265-I2267 WeakPolarHBondContact O-CG1 3.39Å; I2267-I2269 HydrophobicContact CG2-CG1 4.09Å; I2267-F2294 PolarHBondContact N-O 2.88Å; I2267-F2294 VanDerWaalsContact N-O 3.14Å; I2267-I2295 CarbonylContact O-C 3.47Å; I2267-I2295 WeakPolarHBondContact O-CA 3.37Å; I2267-K2296 PolarHBondContact O-N 3.06Å
2268	N	97	Very high	85.8	Confident	31.8 Å²	31.8	39.5 Å²	39.5	17%	0.17	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.7	170.7	-62.3	-14.9	0	0	0	109.8	I2038 I2039 F2040 K2296	I2038-N2268 PolarHBondContact O-N 2.81Å; I2039-N2268 WeakPolarHBondContact CA-O 3.31Å; I2039-N2268 HydrophobicContact CG1-CB 4.36Å; F2040-N2268 PolarHBondContact N-O 3.14Å; N2268-K2296 CarbonylContact C-O 3.46Å; N2268-K2296 VanDerWaalsContact CA-O 3.29Å; N2268-K2296 WeakPolarHBondContact CA-O 3.29Å; N2268-K2296 WeakPolarHBondContact OD1-CB 3.33Å
2269	I	96.5	Very high	87.7	Confident	0.8 Å²	0.8	35.9 Å²	35.9	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.7	174.1	-59.7	177.2	0	0	0	107.3	F2040 W2233 I2236 I2267 A2272 A2282 L2283 I2295 K2296 I2297 N2298	F2040-I2269 HydrophobicContact CD2-CG1 4.43Å; F2040-I2269 WeakPolarHBondContact O-CA 3.37Å; W2233-I2269 HydrophobicContact CH2-CG2 4.49Å; W2233-I2269 HydrophobicContact CZ2-CG2 3.97Å; I2236-I2269 HydrophobicContact CD1-CD1 3.96Å; I2236-I2269 HydrophobicContact CD1-CG1 4.38Å; I2267-I2269 HydrophobicContact CG2-CG1 4.09Å; I2269-A2272 HydrophobicContact CG2-CB 3.92Å; I2269-A2282 HydrophobicContact CG2-CB 4.18Å; I2269-L2283 HydrophobicContact CD1-CB 4.27Å; I2269-L2283 HydrophobicContact CD1-CD2 4.44Å; I2269-I2295 HydrophobicContact CD1-CG2 4.46Å; I2269-K2296 PolarHBondContact N-O 3.17Å; I2269-I2297 HydrophobicContact CB-CG1 4.27Å; I2269-I2297 HydrophobicContact CB-CG2 4.32Å; I2269-I2297 HydrophobicContact CD1-CD1 4.35Å; I2269-I2297 HydrophobicContact CD1-CG1 4.36Å; I2269-I2297 HydrophobicContact CG2-CG2 4.41Å; I2269-I2297 CarbonylContact O-C 3.56Å; I2269-I2297 WeakPolarHBondContact O-CA 3.31Å; I2269-N2298 PolarHBondContact O-N 3.13Å
2270	E	93.8	Very high	89.1	Confident	60.6 Å²	60.6	28.7 Å²	28.7	28%	0.283	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141	-174.6	-56.3	-170.4	153.8	0	0	111.4	F2040 T2041 W2233 A2272 N2298	F2040-E2270 PolarHBondContact O-N 3.12Å; T2041-E2270 WeakPolarHBondContact CA-O 3.41Å; W2233-E2270 PolarHBondContact NE1-O 3.01Å; E2270-A2272 VanDerWaalsContact C-N 3.27Å; E2270-A2272 PolarHBondContact O-N 3.08Å; E2270-N2298 WeakPolarHBondContact CA-O 3.42Å; E2270-N2298 WeakPolarHBondContact CB-OD1 3.3Å; E2270-N2298 HydrophobicContact CG-CB 4.42Å; E2270-N2298 WeakPolarHBondContact CG-OD1 3.11Å; E2270-N2298 PolarHBondContact OE1-ND2 3.34Å
2271	N	91	Very high	90	Very high	32.4 Å²	32.4	22.7 Å²	22.7	17%	0.173	11%	0.11	C	C	.	.	S	Bend	trans	56.3	40.2	175.3	-50.8	-37.7	0	0	0	114.3	T2041 S2042 S2231 T2232 W2233 N2298 N2299	T2041-N2271 PolarHBondContact OG1-ND2 2.83Å; S2042-N2271 WeakPolarHBondContact OG-CB 3.36Å; S2042-N2271 PolarHBondContact OG-ND2 2.9Å; S2231-N2271 VanDerWaalsContact O-CB 3.23Å; S2231-N2271 WeakPolarHBondContact O-CB 3.4Å; T2232-N2271 VanDerWaalsContact CA-O 3.28Å; T2232-N2271 WeakPolarHBondContact CA-O 3.45Å; T2232-N2271 HydrophobicContact CG2-CB 4.37Å; T2232-N2271 WeakPolarHBondContact CG2-O 3.47Å; W2233-N2271 PolarHBondContact N-O 2.95Å; W2233-N2271 VanDerWaalsContact N-O 3.11Å; N2271-N2298 PolarHBondContact N-O 3.18Å; N2271-N2298 VanDerWaalsContact N-O 3.15Å; N2271-N2299 WeakPolarHBondContact CA-O 3.33Å; N2271-N2299 WeakPolarHBondContact OD1-CB 3.43Å; N2271-N2299 PolarHBondContact OD1-ND2 3.15Å; N2271-N2299 VanDerWaalsContact OD1-ND2 3.13Å
2272	A	91.6	Very high	90.5	Very high	0.4 Å²	0.4	18.4 Å²	18.4	0%	0.003	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-99.6	167.1	179.3	0	0	0	0	0	112.3	W2233 I2269 E2270 A2282 C2300 F2301	W2233-A2272 HydrophobicContact CD2-CB 4.29Å; W2233-A2272 HydrophobicContact CH2-CB 4.4Å; W2233-A2272 HydrophobicContact CZ2-CB 3.91Å; W2233-A2272 CarbonylContact O-C 3.57Å; W2233-A2272 WeakPolarHBondContact O-CA 3.46Å; I2269-A2272 HydrophobicContact CG2-CB 3.92Å; E2270-A2272 VanDerWaalsContact C-N 3.27Å; E2270-A2272 PolarHBondContact O-N 3.08Å; A2272-A2282 HydrophobicContact CB-CB 3.66Å; A2272-C2300 CarbonylContact O-C 3.51Å; A2272-C2300 VanDerWaalsContact O-CA 3.26Å; A2272-C2300 WeakPolarHBondContact O-CA 3.37Å; A2272-F2301 PolarHBondContact O-N 3.01Å
2273	G	89.3	Confident	90.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.			trans	117.3	18.6	165.2	0	0	0	0	0	115.8	W2233 G2234 R2279 V2280 F2301	W2233-G2273 PolarHBondContact O-N 3.1Å; G2234-G2273 VanDerWaalsContact O-CA 3.29Å; G2234-G2273 WeakPolarHBondContact O-CA 3.3Å; G2234-G2273 PolarHBondContact O-N 3.09Å; G2273-R2279 CarbonylContact O-C 3.59Å; G2273-R2279 WeakPolarHBondContact O-CA 3.36Å; G2273-V2280 CarbonylContact C-O 3.53Å; G2273-V2280 WeakPolarHBondContact CA-O 3.33Å; G2273-V2280 PolarHBondContact O-N 3.01Å; G2273-F2301 WeakPolarHBondContact O-CB 3.38Å
2274	L	86.3	Confident	90.5	Very high	1.2 Å²	1.2	17.6 Å²	17.6	1%	0.006	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	98.9	174.6	-171.8	71.2	0	0	0	110	M1857 H2019 L2146 T2232 W2233 G2234 E2278 F2301	M1857-L2274 HydrophobicContact CE-CD1 4.07Å; M1857-L2274 HydrophobicContact CE-CD2 4.02Å; H2019-L2274 VanDerWaalsContact CA-O 3.29Å; H2019-L2274 WeakPolarHBondContact CA-O 3.39Å; H2019-L2274 VanDerWaalsContact CE1-CD2 3.41Å; H2019-L2274 WeakPolarHBondContact CE1-CD2 3.35Å; H2019-L2274 WeakPolarHBondContact NE2-CD2 3.39Å; L2146-L2274 HydrophobicContact CD1-CD1 4.02Å; L2146-L2274 HydrophobicContact CD1-CD2 4.01Å; L2146-L2274 HydrophobicContact CD2-CD1 4.09Å; T2232-L2274 HydrophobicContact CG2-CB 3.51Å; T2232-L2274 WeakPolarHBondContact OG1-CD2 3.44Å; W2233-L2274 CarbonylContact C-O 3.5Å; W2233-L2274 VanDerWaalsContact C-O 3.31Å; W2233-L2274 PolarHBondContact O-N 3.09Å; W2233-L2274 VanDerWaalsContact O-N 3.11Å; G2234-L2274 VanDerWaalsContact CA-O 3.26Å; G2234-L2274 WeakPolarHBondContact CA-O 3.38Å; G2234-L2274 PolarHBondContact N-O 2.96Å; G2234-L2274 PolarHBondContact O-N 2.93Å; L2274-E2278 CarbonylContact C-O 3.52Å; L2274-E2278 WeakPolarHBondContact CA-O 3.34Å; L2274-F2301 HydrophobicContact CB-CD1 4.49Å; L2274-F2301 HydrophobicContact CD1-CD1 4.04Å; L2274-F2301 HydrophobicContact CD1-CE1 4.28Å
2275	L	86.3	Confident	90.4	Very high	10.4 Å²	10.4	17.6 Å²	17.6	5%	0.054	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.4	-176.7	-178.3	79.7	0	0	0	109.6	R2237 G2277 E2278 V2280	R2237-L2275 VanDerWaalsContact NH1-CD2 3.25Å; R2237-L2275 VanDerWaalsContact NH2-CD2 3.32Å; L2275-G2277 PolarHBondContact O-N 2.95Å; L2275-E2278 PolarHBondContact N-O 3.22Å; L2275-E2278 PolarHBondContact O-N 3.1Å; L2275-V2280 HydrophobicContact CB-CB 4.48Å; L2275-V2280 HydrophobicContact CB-CG1 4.08Å; L2275-V2280 HydrophobicContact CB-CG2 3.61Å; L2275-V2280 HydrophobicContact CD2-CG1 4.47Å
2276	H	81.2	Confident	90.2	Very high	49 Å²	49	16.6 Å²	16.6	23%	0.227	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	21.5	177.8	-51.9	166.3	0	0	0	115.4	W1934 N1935 S1936 D1997 H2019 E2278	W1934-H2276 AromaticContact CD1-CD2 3.65Å; W1934-H2276 VanDerWaalsContact CD1-CD2 3.47Å; W1934-H2276 AromaticContact CD1-NE2 3.68Å; W1934-H2276 HydrophobicContact CD2-CB 4.22Å; W1934-H2276 AromaticContact CD2-CD2 3.31Å; W1934-H2276 VanDerWaalsContact CD2-CD2 3.43Å; W1934-H2276 AromaticContact CD2-CG 3.73Å; W1934-H2276 AromaticContact CD2-NE2 3.74Å; W1934-H2276 AromaticContact CE2-CD2 3.59Å; W1934-H2276 HydrophobicContact CE3-CB 3.74Å; W1934-H2276 VanDerWaalsContact CE3-CB 3.46Å; W1934-H2276 AromaticContact CE3-CD2 3.57Å; W1934-H2276 AromaticContact CE3-CG 3.42Å; W1934-H2276 AromaticContact CE3-ND1 3.98Å; W1934-H2276 AromaticContact CG-CD2 3.44Å; W1934-H2276 VanDerWaalsContact CG-CD2 3.45Å; W1934-H2276 AromaticContact CG-NE2 3.44Å; W1934-H2276 HydrophobicContact CH2-CB 4.07Å; W1934-H2276 HydrophobicContact CZ2-CB 4.47Å; W1934-H2276 HydrophobicContact CZ3-CB 3.69Å; W1934-H2276 VanDerWaalsContact CZ3-CB 3.45Å; W1934-H2276 AromaticContact CZ3-CG 3.89Å; W1934-H2276 AromaticContact NE1-CD2 3.76Å; N1935-H2276 PolarHBondContact OD1-CE1 3.09Å; S1936-H2276 VanDerWaalsContact CB-ND1 3.32Å; S1936-H2276 WeakPolarHBondContact CB-ND1 3.4Å; S1936-H2276 PolarHBondContact OG-CE1 2.98Å; S1936-H2276 VanDerWaalsContact OG-CE1 3.26Å; S1936-H2276 PolarHBondContact OG-ND1 3.04Å; D1997-H2276 IonicContact OD1-NE2 3.12Å; D1997-H2276 PolarHBondContact OD1-NE2 2.96Å; D1997-H2276 IonicContact OD2-CE1 3.45Å; D1997-H2276 PolarHBondContact OD2-CE1 3.32Å; D1997-H2276 IonicContact OD2-NE2 2.91Å; D1997-H2276 PolarHBondContact OD2-NE2 3.19Å; H2019-H2276 PolarHBondContact O-CD2 3.17Å; H2019-H2276 PolarHBondContact O-N 2.95Å; H2019-H2276 VanDerWaalsContact O-N 3.15Å; H2276-E2278 VanDerWaalsContact C-N 3.32Å
2277	G	73.9	Confident	89.8	Confident	9.4 Å²	9.4	13.8 Å²	13.8	10%	0.097	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	-8.8	-177.8	0	0	0	0	0	114.1	H2019 F2182 L2275	H2019-G2277 PolarHBondContact CD2-N 3.05Å; H2019-G2277 VanDerWaalsContact CD2-N 3.34Å; H2019-G2277 WeakPolarHBondContact ND1-CA 3.4Å; H2019-G2277 PolarHBondContact ND1-N 2.79Å; H2019-G2277 VanDerWaalsContact ND1-N 3.19Å; F2182-G2277 VanDerWaalsContact CZ-O 3.31Å; F2182-G2277 WeakPolarHBondContact CZ-O 3.36Å; L2275-G2277 PolarHBondContact O-N 2.95Å
2278	E	77.8	Confident	89.4	Confident	39.4 Å²	39.4	14.2 Å²	14.2	18%	0.184	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	148.3	179.8	-56.7	-154.3	127.3	0	0	112.4	R2132 L2274 L2275 H2276 V2280 N2399 E2401	R2132-E2278 IonicContact CZ-OE1 3.89Å; R2132-E2278 IonicContact NH1-OE1 3.95Å; R2132-E2278 IonicContact NH2-OE1 3.02Å; R2132-E2278 PolarHBondContact NH2-OE1 3.21Å; L2274-E2278 CarbonylContact C-O 3.52Å; L2274-E2278 WeakPolarHBondContact CA-O 3.34Å; L2275-E2278 PolarHBondContact N-O 3.22Å; L2275-E2278 PolarHBondContact O-N 3.1Å; H2276-E2278 VanDerWaalsContact C-N 3.32Å; E2278-V2280 PolarHBondContact O-N 3Å; E2278-N2399 VanDerWaalsContact OE2-O 3.11Å; E2278-E2401 VanDerWaalsContact OE1-CG 3.24Å; E2278-E2401 WeakPolarHBondContact OE1-CG 3.46Å; E2278-E2401 PolarHBondContact OE2-N 2.93Å
2279	R	83.6	Confident	89.1	Confident	28.6 Å²	28.6	15.8 Å²	15.8	11%	0.108	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.6	173.4	-63.9	-177.8	140.6	169.9	-2.8	109.1	L2146 G2273 F2301 D2302 N2399	L2146-R2279 VanDerWaalsContact C-NH2 3.33Å; L2146-R2279 PolarHBondContact O-NE 2.9Å; L2146-R2279 VanDerWaalsContact O-NE 3.17Å; L2146-R2279 PolarHBondContact O-NH1 3.22Å; L2146-R2279 VanDerWaalsContact O-NH1 3.09Å; L2146-R2279 PolarHBondContact O-NH2 2.96Å; G2273-R2279 CarbonylContact O-C 3.59Å; G2273-R2279 WeakPolarHBondContact O-CA 3.36Å; R2279-F2301 HydrophobicContact CB-CD1 4.45Å; R2279-F2301 WeakPolarHBondContact CD-O 3.4Å; R2279-F2301 HydrophobicContact CG-CD1 3.87Å; R2279-F2301 HydrophobicContact CG-CE1 3.93Å; R2279-F2301 PolarHBondContact NE-O 2.85Å; R2279-F2301 PolarHBondContact NH2-O 3.45Å; R2279-D2302 HydrophobicContact CB-CB 4.24Å; R2279-D2302 IonicContact CZ-OD1 3.2Å; R2279-D2302 IonicContact NE-OD1 3.55Å; R2279-D2302 PolarHBondContact NE-OD1 2.92Å; R2279-D2302 IonicContact NH2-OD1 3.46Å; R2279-D2302 PolarHBondContact NH2-OD1 2.95Å; R2279-N2399 HydrophobicContact CB-CB 4.02Å; R2279-N2399 VanDerWaalsContact O-CB 3.24Å; R2279-N2399 WeakPolarHBondContact O-CB 3.44Å; R2279-N2399 VanDerWaalsContact O-O 3.14Å
2280	V	89.3	Confident	88.9	Confident	3 Å²	3	16.1 Å²	16.1	2%	0.018	8%	0.079	C	C	.	.			trans	-136.5	152.9	-179.8	-62.1	0	0	0	0	110.8	N2235 G2273 L2275 E2278 D2302 E2400	N2235-V2280 HydrophobicContact CB-CG2 3.88Å; N2235-V2280 WeakPolarHBondContact ND2-CG2 3.31Å; G2273-V2280 CarbonylContact C-O 3.53Å; G2273-V2280 WeakPolarHBondContact CA-O 3.33Å; G2273-V2280 PolarHBondContact O-N 3.01Å; L2275-V2280 HydrophobicContact CB-CB 4.48Å; L2275-V2280 HydrophobicContact CB-CG1 4.08Å; L2275-V2280 HydrophobicContact CB-CG2 3.61Å; L2275-V2280 HydrophobicContact CD2-CG1 4.47Å; E2278-V2280 PolarHBondContact O-N 3Å; V2280-D2302 WeakPolarHBondContact O-CB 3.37Å; V2280-E2400 HydrophobicContact CB-CG 4.26Å; V2280-E2400 WeakPolarHBondContact CB-OE1 3.06Å; V2280-E2400 HydrophobicContact CG1-CG 3.82Å
2281	P	93.2	Very high	88.9	Confident	8.2 Å²	8.2	17.8 Å²	17.8	5%	0.053	9%	0.085	C	C	.	.			trans	-60.7	145.3	172.3	-21.1	32.7	0	0	0	111.4	N2235 L2283 S2303 E2306 E2400	N2235-P2281 WeakPolarHBondContact CB-O 3.34Å; N2235-P2281 PolarHBondContact ND2-O 3.01Å; P2281-L2283 VanDerWaalsContact C-N 3.3Å; P2281-L2283 PolarHBondContact O-N 3Å; P2281-S2303 CarbonylContact C-O 3.53Å; P2281-S2303 WeakPolarHBondContact CA-O 3.26Å; P2281-E2306 HydrophobicContact CB-CB 3.89Å; P2281-E2306 HydrophobicContact CG-CB 3.79Å; P2281-E2306 HydrophobicContact CG-CG 4.41Å; P2281-E2400 VanDerWaalsContact CD-OE1 3.3Å; P2281-E2400 WeakPolarHBondContact CD-OE1 3.4Å
2282	A	94.3	Very high	89.1	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-66.4	-33.7	-175.8	0	0	0	0	0	113.5	N2235 I2236 I2269 A2272 I2297 C2300 S2303 G2304	N2235-A2282 WeakPolarHBondContact CB-O 3.31Å; I2236-A2282 PolarHBondContact N-O 2.94Å; I2269-A2282 HydrophobicContact CG2-CB 4.18Å; A2272-A2282 HydrophobicContact CB-CB 3.66Å; A2282-I2297 HydrophobicContact CB-CG2 4.02Å; A2282-C2300 HydrophobicContact CB-CB 4.11Å; A2282-C2300 WeakPolarHBondContact CB-SG 3.41Å; A2282-S2303 PolarHBondContact N-O 3.18Å; A2282-G2304 WeakPolarHBondContact CB-O 3.31Å; A2282-G2304 PolarHBondContact N-O 3.32Å
2283	L	95.4	Very high	89.3	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	113.3	169	176.1	58.9	0	0	0	109.1	I2236 I2238 L2264 I2269 P2281 I2285 L2292 I2297 G2304 L2305 E2306	I2236-L2283 HydrophobicContact CB-CD1 3.81Å; I2236-L2283 HydrophobicContact CG2-CD1 3.81Å; I2236-L2283 CarbonylContact O-C 3.54Å; I2236-L2283 WeakPolarHBondContact O-CA 3.37Å; I2238-L2283 HydrophobicContact CD1-CD1 4.26Å; I2238-L2283 HydrophobicContact CG1-CD1 4.44Å; L2264-L2283 HydrophobicContact CD1-CD1 4.21Å; L2264-L2283 HydrophobicContact CD1-CD2 3.9Å; L2264-L2283 HydrophobicContact CD2-CD2 4.25Å; I2269-L2283 HydrophobicContact CD1-CB 4.27Å; I2269-L2283 HydrophobicContact CD1-CD2 4.44Å; P2281-L2283 VanDerWaalsContact C-N 3.3Å; P2281-L2283 PolarHBondContact O-N 3Å; L2283-I2285 HydrophobicContact CD1-CD1 4.42Å; L2283-I2285 HydrophobicContact CD1-CG1 4.19Å; L2283-I2285 HydrophobicContact CD2-CD1 4.32Å; L2283-I2285 HydrophobicContact CG-CD1 4.23Å; L2283-I2285 HydrophobicContact CG-CG1 4.26Å; L2283-L2292 HydrophobicContact CD2-CD2 4.46Å; L2283-I2297 HydrophobicContact CB-CD1 4.35Å; L2283-G2304 PolarHBondContact N-O 3.07Å; L2283-G2304 VanDerWaalsContact N-O 3.1Å; L2283-L2305 HydrophobicContact CB-CD1 3.96Å; L2283-L2305 HydrophobicContact CD2-CD1 3.72Å; L2283-L2305 HydrophobicContact CG-CD1 3.6Å; L2283-L2305 CarbonylContact O-C 3.59Å; L2283-L2305 WeakPolarHBondContact O-CA 3.4Å; L2283-L2305 WeakPolarHBondContact O-CD1 3.27Å; L2283-E2306 PolarHBondContact O-N 2.96Å
2284	T	94.6	Very high	89.6	Confident	1.8 Å²	1.8	20.2 Å²	20.2	1%	0.011	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.9	176.2	-51.8	0	0	0	0	109.3	N2235 I2236 R2237 I2238 V2286 E2306 I2308	N2235-T2284 PolarHBondContact ND2-OG1 3.18Å; I2236-T2284 PolarHBondContact O-N 3.11Å; R2237-T2284 CarbonylContact C-O 3.52Å; R2237-T2284 VanDerWaalsContact CA-O 3.28Å; R2237-T2284 WeakPolarHBondContact CA-O 3.3Å; I2238-T2284 PolarHBondContact N-O 3.05Å; T2284-V2286 HydrophobicContact CG2-CG2 4.05Å; T2284-E2306 CarbonylContact C-O 3.52Å; T2284-E2306 WeakPolarHBondContact CA-O 3.4Å; T2284-I2308 HydrophobicContact CG2-CD1 4.21Å
2285	I	94.2	Very high	90.1	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.9	-179.4	-60.2	169.4	0	0	0	108.7	I2238 L2283 A2288 P2290 L2292 L2305 E2306 L2307 I2308	I2238-I2285 HydrophobicContact CB-CG1 4.28Å; I2238-I2285 HydrophobicContact CD1-CG1 4.44Å; I2238-I2285 CarbonylContact O-C 3.48Å; I2238-I2285 VanDerWaalsContact O-CA 3.3Å; I2238-I2285 WeakPolarHBondContact O-CA 3.44Å; L2283-I2285 HydrophobicContact CD1-CD1 4.42Å; L2283-I2285 HydrophobicContact CD1-CG1 4.19Å; L2283-I2285 HydrophobicContact CD2-CD1 4.32Å; L2283-I2285 HydrophobicContact CG-CD1 4.23Å; L2283-I2285 HydrophobicContact CG-CG1 4.26Å; I2285-A2288 HydrophobicContact CG2-CB 3.86Å; I2285-A2288 WeakPolarHBondContact CG2-O 3.35Å; I2285-P2290 HydrophobicContact CD1-CG 3.53Å; I2285-P2290 VanDerWaalsContact CD1-CG 3.46Å; I2285-P2290 HydrophobicContact CG1-CG 4.37Å; I2285-P2290 HydrophobicContact CG2-CG 4.25Å; I2285-L2292 HydrophobicContact CD1-CD1 3.91Å; I2285-L2292 HydrophobicContact CD1-CD2 4.27Å; I2285-L2305 HydrophobicContact CD1-CD1 4.01Å; I2285-L2305 HydrophobicContact CG1-CD1 4.38Å; I2285-E2306 PolarHBondContact N-O 3.05Å; I2285-L2307 HydrophobicContact CB-CD2 3.73Å; I2285-L2307 HydrophobicContact CD1-CD2 3.57Å; I2285-L2307 VanDerWaalsContact CD1-CD2 3.44Å; I2285-L2307 HydrophobicContact CG1-CD2 4.13Å; I2285-L2307 HydrophobicContact CG2-CD2 4.11Å; I2285-I2308 PolarHBondContact O-N 2.88Å
2286	V	91.4	Very high	90.6	Very high	3.2 Å²	3.2	24.1 Å²	24.1	2%	0.019	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125	-176.2	-166.1	0	0	0	0	110.1	I2238 V2239 Q2240 T2284 A2288 I2308 L2403 F2404 F2406	I2238-V2286 PolarHBondContact O-N 3.02Å; V2239-V2286 WeakPolarHBondContact CA-O 3.43Å; V2239-V2286 HydrophobicContact CG1-CB 4.35Å; V2239-V2286 HydrophobicContact CG2-CB 4.2Å; V2239-V2286 HydrophobicContact CG2-CG2 4.26Å; Q2240-V2286 PolarHBondContact N-O 2.97Å; T2284-V2286 HydrophobicContact CG2-CG2 4.05Å; V2286-A2288 PolarHBondContact O-N 3.08Å; V2286-I2308 WeakPolarHBondContact CA-O 3.36Å; V2286-I2308 HydrophobicContact CG1-CB 4.25Å; V2286-I2308 HydrophobicContact CG1-CG2 4.32Å; V2286-I2308 HydrophobicContact CG2-CB 4.28Å; V2286-I2308 HydrophobicContact CG2-CD1 4.26Å; V2286-L2403 HydrophobicContact CG2-CD2 4.47Å; V2286-F2404 WeakPolarHBondContact CG1-O 3.39Å; V2286-F2406 HydrophobicContact CG1-CD2 4.36Å; V2286-F2406 HydrophobicContact CG1-CE2 3.9Å
2287	Y	87.6	Confident	91.4	Very high	7.8 Å²	7.8	21.9 Å²	21.9	3%	0.031	10%	0.102	C	C	.	.	S	Bend	trans	59.7	-13	-176.1	-64.5	-63.5	0	0	0	116.8	Q2240 I2308 T2309 N2311 G2405 L2423	Q2240-Y2287 WeakPolarHBondContact O-CB 3.37Å; Y2287-I2308 PolarHBondContact N-O 3.24Å; Y2287-T2309 VanDerWaalsContact CA-O 3.32Å; Y2287-T2309 WeakPolarHBondContact CA-O 3.21Å; Y2287-T2309 WeakPolarHBondContact CD1-O 3.28Å; Y2287-T2309 WeakPolarHBondContact CD1-OG1 3.27Å; Y2287-T2309 VanDerWaalsContact CE1-OG1 3.28Å; Y2287-T2309 WeakPolarHBondContact CE1-OG1 3.36Å; Y2287-N2311 WeakPolarHBondContact CB-ND2 3.32Å; Y2287-N2311 WeakPolarHBondContact O-CB 3.31Å; Y2287-N2311 PolarHBondContact O-N 3.2Å; Y2287-N2311 PolarHBondContact O-ND2 2.93Å; Y2287-N2311 VanDerWaalsContact O-ND2 3.1Å; Y2287-G2405 VanDerWaalsContact CE2-O 3.29Å; Y2287-G2405 WeakPolarHBondContact CE2-O 3.33Å; Y2287-L2423 HydrophobicContact CE1-CD1 4.39Å; Y2287-L2423 WeakPolarHBondContact OH-CB 3.33Å; Y2287-L2423 VanDerWaalsContact OH-CD1 3.27Å; Y2287-L2423 WeakPolarHBondContact OH-CD1 3.36Å; Y2287-L2423 WeakPolarHBondContact OH-CG 3.46Å
2288	A	88.8	Confident	92.3	Very high	9.2 Å²	9.2	22.8 Å²	22.8	8%	0.076	10%	0.104	C	C	.	.			trans	-89.8	160.1	177.1	0	0	0	0	0	111.8	I2238 Q2240 I2285 V2286 P2310	I2238-A2288 HydrophobicContact CG2-CB 3.93Å; Q2240-A2288 HydrophobicContact CB-CB 4Å; I2285-A2288 HydrophobicContact CG2-CB 3.86Å; I2285-A2288 WeakPolarHBondContact CG2-O 3.35Å; V2286-A2288 PolarHBondContact O-N 3.08Å; A2288-P2310 WeakPolarHBondContact O-CB 3.31Å
2289	Y	90.6	Very high	92.9	Very high	64.8 Å²	64.8	23.4 Å²	23.4	25%	0.254	11%	0.109	S	C	.	.			trans	-138.1	70.2	176.9	56.1	-79.7	0	0	0	109.6	Q2261 N2311	Q2261-Y2289 HydrophobicContact CB-CD2 4.49Å; Q2261-Y2289 HydrophobicContact CB-CE2 4.26Å; Q2261-Y2289 HydrophobicContact CG-CD2 4.25Å; Q2261-Y2289 HydrophobicContact CG-CE2 3.87Å; Y2289-N2311 HydrophobicContact CD1-CB 4.39Å; Y2289-N2311 HydrophobicContact CE1-CB 4.46Å
2290	P	93.3	Very high	93.2	Very high	7.4 Å²	7.4	22.1 Å²	22.1	5%	0.048	10%	0.104	C	C	.	.			trans	-67.1	156.4	179.1	28.5	-34.2	0	0	0	111.9	I2238 S2262 L2264 I2285 L2292	I2238-P2290 HydrophobicContact CD1-CG 4.4Å; S2262-P2290 CarbonylContact O-C 3.53Å; S2262-P2290 WeakPolarHBondContact O-CA 3.26Å; S2262-P2290 VanDerWaalsContact O-CB 3.27Å; S2262-P2290 WeakPolarHBondContact O-CB 3.34Å; L2264-P2290 HydrophobicContact CD1-CB 4.12Å; I2285-P2290 HydrophobicContact CD1-CG 3.53Å; I2285-P2290 VanDerWaalsContact CD1-CG 3.46Å; I2285-P2290 HydrophobicContact CG1-CG 4.37Å; I2285-P2290 HydrophobicContact CG2-CG 4.25Å; P2290-L2292 HydrophobicContact CB-CD2 4.11Å; P2290-L2292 HydrophobicContact CG-CD1 4.46Å; P2290-L2292 HydrophobicContact CG-CD2 3.76Å; P2290-L2292 HydrophobicContact CG-CG 4.09Å; P2290-L2292 PolarHBondContact O-N 3.04Å
2291	K	93.1	Very high	93	Very high	96 Å²	96	22.3 Å²	22.3	42%	0.417	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118	166.4	-172.5	-174.8	178.2	-158.2	0	108.7	S2262 V2263 L2264 E2265	S2262-K2291 PolarHBondContact O-N 3.04Å; V2263-K2291 HydrophobicContact CG1-CB 4.46Å; V2263-K2291 HydrophobicContact CG2-CB 4.37Å; L2264-K2291 PolarHBondContact N-O 3Å; E2265-K2291 VanDerWaalsContact OE1-CD 3.27Å; E2265-K2291 WeakPolarHBondContact OE1-CD 3.3Å; E2265-K2291 VanDerWaalsContact OE1-CE 3.23Å; E2265-K2291 WeakPolarHBondContact OE1-CE 3.34Å; E2265-K2291 IonicContact OE1-NZ 3.34Å; E2265-K2291 PolarHBondContact OE1-NZ 3.14Å
2292	L	95.4	Very high	92.8	Very high	1.8 Å²	1.8	22.6 Å²	22.6	1%	0.009	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.9	-177	-58.3	177.9	0	0	0	110.1	L2264 L2283 I2285 P2290 I2295 L2305 L2307 L2316 T2317	L2264-L2292 HydrophobicContact CB-CD2 3.9Å; L2264-L2292 HydrophobicContact CD1-CD2 3.97Å; L2264-L2292 HydrophobicContact CD2-CD2 4.33Å; L2264-L2292 HydrophobicContact CG-CD2 4.29Å; L2283-L2292 HydrophobicContact CD2-CD2 4.46Å; I2285-L2292 HydrophobicContact CD1-CD1 3.91Å; I2285-L2292 HydrophobicContact CD1-CD2 4.27Å; P2290-L2292 HydrophobicContact CB-CD2 4.11Å; P2290-L2292 HydrophobicContact CG-CD1 4.46Å; P2290-L2292 HydrophobicContact CG-CD2 3.76Å; P2290-L2292 HydrophobicContact CG-CG 4.09Å; P2290-L2292 PolarHBondContact O-N 3.04Å; L2292-I2295 HydrophobicContact CB-CD1 3.84Å; L2292-I2295 HydrophobicContact CD2-CD1 3.71Å; L2292-I2295 HydrophobicContact CG-CD1 4.3Å; L2292-L2305 HydrophobicContact CD1-CD2 4.05Å; L2292-L2307 HydrophobicContact CD1-CD2 4.44Å; L2292-L2316 HydrophobicContact CB-CD1 3.46Å; L2292-L2316 VanDerWaalsContact CB-CD1 3.44Å; L2292-L2316 HydrophobicContact CD1-CD1 3.87Å; L2292-L2316 HydrophobicContact CG-CD1 4.31Å; L2292-L2316 WeakPolarHBondContact O-CA 3.43Å; L2292-T2317 PolarHBondContact O-N 3.32Å; L2292-T2317 VanDerWaalsContact O-N 3.1Å; L2292-T2317 PolarHBondContact O-OG1 2.76Å
2293	S	95.4	Very high	92.7	Very high	7 Å²	7	23 Å²	23	5%	0.049	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	148.6	173.3	65.5	0	0	0	0	113.8	L2264 E2265 Y2266 I2295 T2317	L2264-S2293 PolarHBondContact O-N 2.94Å; L2264-S2293 VanDerWaalsContact O-N 3.09Å; E2265-S2293 VanDerWaalsContact CA-O 3.28Å; E2265-S2293 WeakPolarHBondContact CA-O 3.36Å; E2265-S2293 WeakPolarHBondContact CG-OG 3.38Å; Y2266-S2293 PolarHBondContact N-O 3.07Å; S2293-I2295 VanDerWaalsContact C-N 3.29Å; S2293-I2295 PolarHBondContact O-N 3.18Å; S2293-T2317 CarbonylContact C-O 3.48Å; S2293-T2317 VanDerWaalsContact CA-O 3.27Å; S2293-T2317 WeakPolarHBondContact CA-O 3.43Å; S2293-T2317 VanDerWaalsContact CB-OG1 3.28Å; S2293-T2317 WeakPolarHBondContact CB-OG1 3.3Å
2294	F	96.7	Very high	92.6	Very high	74 Å²	74	23 Å²	23	33%	0.325	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	44	179.1	-55.4	-84.7	0	0	0	112.9	Y2266 I2267 T2317 N2318	Y2266-F2294 CarbonylContact C-O 3.48Å; Y2266-F2294 VanDerWaalsContact CA-O 3.26Å; Y2266-F2294 WeakPolarHBondContact CA-O 3.35Å; Y2266-F2294 HydrophobicContact CD1-CB 3.63Å; Y2266-F2294 HydrophobicContact CD1-CD1 4.39Å; Y2266-F2294 AromaticContact CD1-CG 3.97Å; Y2266-F2294 HydrophobicContact CD1-CG 3.98Å; Y2266-F2294 HydrophobicContact CD2-CB 4.28Å; Y2266-F2294 HydrophobicContact CD2-CD2 4.27Å; Y2266-F2294 HydrophobicContact CD2-CG 4.41Å; Y2266-F2294 HydrophobicContact CE1-CB 3.79Å; Y2266-F2294 AromaticContact CE1-CD1 3.7Å; Y2266-F2294 HydrophobicContact CE1-CD1 3.7Å; Y2266-F2294 AromaticContact CE1-CD2 4Å; Y2266-F2294 HydrophobicContact CE1-CD2 4.04Å; Y2266-F2294 HydrophobicContact CE1-CE1 4.24Å; Y2266-F2294 AromaticContact CE1-CG 3.57Å; Y2266-F2294 HydrophobicContact CE1-CG 3.57Å; Y2266-F2294 HydrophobicContact CE2-CB 4.38Å; Y2266-F2294 AromaticContact CE2-CD2 3.71Å; Y2266-F2294 HydrophobicContact CE2-CD2 3.71Å; Y2266-F2294 HydrophobicContact CE2-CE2 4.13Å; Y2266-F2294 HydrophobicContact CE2-CG 4.08Å; Y2266-F2294 HydrophobicContact CG-CB 3.89Å; Y2266-F2294 HydrophobicContact CG-CG 4.39Å; Y2266-F2294 AromaticContact CZ-CD1 3.92Å; Y2266-F2294 AromaticContact CZ-CD2 3.58Å; Y2266-F2294 AromaticContact CZ-CE2 3.84Å; Y2266-F2294 AromaticContact CZ-CG 3.63Å; Y2266-F2294 PolarHBondContact N-O 2.97Å; Y2266-F2294 WeakPolarHBondContact OH-CZ 3.31Å; I2267-F2294 PolarHBondContact N-O 2.88Å; I2267-F2294 VanDerWaalsContact N-O 3.14Å; F2294-T2317 PolarHBondContact N-O 2.99Å; F2294-T2317 VanDerWaalsContact N-O 3.09Å; F2294-N2318 CarbonylContact C-O 3.6Å; F2294-N2318 VanDerWaalsContact CA-O 3.26Å; F2294-N2318 WeakPolarHBondContact CA-O 3.39Å; F2294-N2318 HydrophobicContact CD1-CB 3.63Å; F2294-N2318 HydrophobicContact CE1-CB 3.71Å; F2294-N2318 WeakPolarHBondContact CE1-ND2 3.29Å; F2294-N2318 HydrophobicContact CE2-CB 4.48Å; F2294-N2318 HydrophobicContact CG-CB 4.12Å; F2294-N2318 HydrophobicContact CZ-CB 4.24Å; F2294-N2318 WeakPolarHBondContact CZ-ND2 3.41Å; F2294-N2318 PolarHBondContact N-O 3.14Å; F2294-N2318 VanDerWaalsContact N-O 3.12Å
2295	I	96.8	Very high	92.6	Very high	3.8 Å²	3.8	23 Å²	23	2%	0.019	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.6	179.8	-53.5	178.2	0	0	0	109.4	L2264 I2267 I2269 L2292 S2293 I2297 N2318 C2319 T2320	L2264-I2295 HydrophobicContact CB-CD1 3.97Å; I2267-I2295 CarbonylContact O-C 3.47Å; I2267-I2295 WeakPolarHBondContact O-CA 3.37Å; I2269-I2295 HydrophobicContact CD1-CG2 4.46Å; L2292-I2295 HydrophobicContact CB-CD1 3.84Å; L2292-I2295 HydrophobicContact CD2-CD1 3.71Å; L2292-I2295 HydrophobicContact CG-CD1 4.3Å; S2293-I2295 VanDerWaalsContact C-N 3.29Å; S2293-I2295 PolarHBondContact O-N 3.18Å; I2295-I2297 HydrophobicContact CG2-CD1 4.24Å; I2295-I2297 HydrophobicContact CG2-CG1 3.85Å; I2295-N2318 PolarHBondContact N-O 3.23Å; I2295-C2319 HydrophobicContact CB-CB 4.49Å; I2295-C2319 PolarHBondContact N-SG 3.09Å; I2295-C2319 CarbonylContact O-C 3.53Å; I2295-C2319 VanDerWaalsContact O-CA 3.24Å; I2295-C2319 WeakPolarHBondContact O-CA 3.3Å; I2295-C2319 WeakPolarHBondContact O-CB 3.3Å; I2295-C2319 PolarHBondContact O-SG 3.03Å; I2295-C2319 VanDerWaalsContact O-SG 3.38Å; I2295-T2320 PolarHBondContact O-N 3.11Å
2296	K	96.7	Very high	92.6	Very high	91.6 Å²	91.6	23.7 Å²	23.7	40%	0.398	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119	174.8	-162.3	178.3	-174.2	-175.5	0	109.6	I2267 N2268 I2269 N2298 T2320	I2267-K2296 PolarHBondContact O-N 3.06Å; N2268-K2296 CarbonylContact C-O 3.46Å; N2268-K2296 VanDerWaalsContact CA-O 3.29Å; N2268-K2296 WeakPolarHBondContact CA-O 3.29Å; N2268-K2296 WeakPolarHBondContact OD1-CB 3.33Å; I2269-K2296 PolarHBondContact N-O 3.17Å; K2296-N2298 VanDerWaalsContact CE-ND2 3.34Å; K2296-N2298 WeakPolarHBondContact CE-ND2 3.35Å; K2296-T2320 CarbonylContact C-O 3.55Å; K2296-T2320 VanDerWaalsContact CA-O 3.3Å; K2296-T2320 WeakPolarHBondContact CA-O 3.36Å; K2296-T2320 WeakPolarHBondContact CG-OG1 3.31Å
2297	I	96.5	Very high	92.7	Very high	2.2 Å²	2.2	23.8 Å²	23.8	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.8	179.3	-53.2	-173.5	0	0	0	108.5	I2269 A2282 L2283 I2295 C2300 G2304 L2305 T2320 I2321 S2322	I2269-I2297 HydrophobicContact CB-CG1 4.27Å; I2269-I2297 HydrophobicContact CB-CG2 4.32Å; I2269-I2297 HydrophobicContact CD1-CD1 4.35Å; I2269-I2297 HydrophobicContact CD1-CG1 4.36Å; I2269-I2297 HydrophobicContact CG2-CG2 4.41Å; I2269-I2297 CarbonylContact O-C 3.56Å; I2269-I2297 WeakPolarHBondContact O-CA 3.31Å; A2282-I2297 HydrophobicContact CB-CG2 4.02Å; L2283-I2297 HydrophobicContact CB-CD1 4.35Å; I2295-I2297 HydrophobicContact CG2-CD1 4.24Å; I2295-I2297 HydrophobicContact CG2-CG1 3.85Å; I2297-C2300 HydrophobicContact CG2-CB 4.36Å; I2297-C2300 WeakPolarHBondContact CG2-SG 3.32Å; I2297-G2304 WeakPolarHBondContact CD1-O 3.39Å; I2297-L2305 HydrophobicContact CD1-CB 4.34Å; I2297-T2320 PolarHBondContact N-O 2.98Å; I2297-I2321 HydrophobicContact CB-CB 4.47Å; I2297-I2321 HydrophobicContact CB-CG1 4.16Å; I2297-I2321 HydrophobicContact CB-CG2 4.25Å; I2297-I2321 HydrophobicContact CD1-CD1 4.18Å; I2297-I2321 HydrophobicContact CD1-CG1 4.4Å; I2297-I2321 HydrophobicContact CG1-CG1 4.37Å; I2297-I2321 HydrophobicContact CG2-CG2 4.42Å; I2297-I2321 CarbonylContact O-C 3.59Å; I2297-I2321 VanDerWaalsContact O-CA 3.31Å; I2297-I2321 WeakPolarHBondContact O-CA 3.33Å; I2297-S2322 PolarHBondContact O-N 3.07Å
2298	N	94	Very high	92.9	Very high	28.6 Å²	28.6	23.4 Å²	23.4	15%	0.153	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144	-175.2	-60.8	-4.9	0	0	0	112.7	I2269 E2270 N2271 K2296 S2322	I2269-N2298 PolarHBondContact O-N 3.13Å; E2270-N2298 WeakPolarHBondContact CA-O 3.42Å; E2270-N2298 WeakPolarHBondContact CB-OD1 3.3Å; E2270-N2298 HydrophobicContact CG-CB 4.42Å; E2270-N2298 WeakPolarHBondContact CG-OD1 3.11Å; E2270-N2298 PolarHBondContact OE1-ND2 3.34Å; N2271-N2298 PolarHBondContact N-O 3.18Å; N2271-N2298 VanDerWaalsContact N-O 3.15Å; K2296-N2298 VanDerWaalsContact CE-ND2 3.34Å; K2296-N2298 WeakPolarHBondContact CE-ND2 3.35Å; N2298-S2322 WeakPolarHBondContact CA-O 3.33Å; N2298-S2322 PolarHBondContact OD1-OG 3.09Å; N2298-S2322 VanDerWaalsContact OD1-OG 3.08Å
2299	N	90.1	Very high	92.9	Very high	51.2 Å²	51.2	23.3 Å²	23.3	27%	0.274	11%	0.109	S	C	.	.	S	Bend	trans	56.5	56.3	173.5	-95.7	3.2	0	0	0	113.2	L2228 N2271 S2322 K2323	L2228-N2299 VanDerWaalsContact CD2-ND2 3.3Å; L2228-N2299 WeakPolarHBondContact CD2-ND2 3.48Å; N2271-N2299 WeakPolarHBondContact CA-O 3.33Å; N2271-N2299 WeakPolarHBondContact OD1-CB 3.43Å; N2271-N2299 PolarHBondContact OD1-ND2 3.15Å; N2271-N2299 VanDerWaalsContact OD1-ND2 3.13Å; N2299-S2322 PolarHBondContact N-O 3.21Å; N2299-S2322 VanDerWaalsContact N-O 3.12Å; N2299-K2323 WeakPolarHBondContact CA-O 3.36Å; N2299-K2323 WeakPolarHBondContact OD1-CD 3.28Å
2300	C	89.5	Confident	92.8	Very high	1.8 Å²	1.8	20.6 Å²	20.6	1%	0.012	10%	0.099	C	C	.	.			trans	-93.5	144.2	-179.7	-33.9	0	0	0	0	113.3	A2272 A2282 I2297 D2302 S2303 G2304 K2323 C2324 L2325	A2272-C2300 CarbonylContact O-C 3.51Å; A2272-C2300 VanDerWaalsContact O-CA 3.26Å; A2272-C2300 WeakPolarHBondContact O-CA 3.37Å; A2282-C2300 HydrophobicContact CB-CB 4.11Å; A2282-C2300 WeakPolarHBondContact CB-SG 3.41Å; I2297-C2300 HydrophobicContact CG2-CB 4.36Å; I2297-C2300 WeakPolarHBondContact CG2-SG 3.32Å; C2300-D2302 VanDerWaalsContact C-N 3.33Å; C2300-D2302 PolarHBondContact O-N 2.75Å; C2300-D2302 PolarHBondContact SG-O 3.08Å; C2300-S2303 PolarHBondContact SG-O 2.65Å; C2300-G2304 VanDerWaalsContact SG-CA 3.51Å; C2300-G2304 PolarHBondContact SG-N 3.37Å; C2300-G2304 VanDerWaalsContact SG-N 3.44Å; C2300-K2323 PolarHBondContact N-O 2.86Å; C2300-C2324 HydrophobicContact CB-CB 3.96Å; C2300-C2324 VanDerWaalsContact CB-CB 3.45Å; C2300-C2324 VanDerWaalsContact CB-SG 3.53Å; C2300-C2324 WeakPolarHBondContact CB-SG 3.31Å; C2300-C2324 PolarHBondContact N-SG 3.17Å; C2300-C2324 VanDerWaalsContact N-SG 3.39Å; C2300-C2324 WeakPolarHBondContact O-CA 3.29Å; C2300-C2324 WeakPolarHBondContact SG-CB 3.21Å; C2300-C2324 CovalentContact SG-SG 2.04Å; C2300-C2324 PolarHBondContact SG-SG 2.96Å; C2300-C2324 VanDerWaalsContact SG-SG 3.65Å; C2300-L2325 PolarHBondContact O-N 3Å
2301	F	85.7	Confident	92.2	Very high	7.6 Å²	7.6	22.8 Å²	22.8	3%	0.033	11%	0.111	C	C	.	.	S	Bend	trans	-79	-19.9	-178.1	-119.1	-97.1	0	0	0	114.6	L2146 T2147 L2228 T2232 A2272 G2273 L2274 R2279 L2325	L2146-F2301 HydrophobicContact CB-CD1 4.3Å; L2146-F2301 HydrophobicContact CB-CE1 3.78Å; L2146-F2301 VanDerWaalsContact CB-CE1 3.46Å; L2146-F2301 HydrophobicContact CB-CE2 4.19Å; L2146-F2301 HydrophobicContact CB-CZ 3.24Å; L2146-F2301 HydrophobicContact CD1-CD1 4.38Å; L2146-F2301 HydrophobicContact CD1-CE1 4.14Å; L2146-F2301 HydrophobicContact CD1-CE2 4.48Å; L2146-F2301 HydrophobicContact CD1-CZ 4.05Å; L2146-F2301 HydrophobicContact CG-CE1 4.44Å; L2146-F2301 HydrophobicContact CG-CZ 4.21Å; L2146-F2301 WeakPolarHBondContact O-CE1 3.19Å; T2147-F2301 HydrophobicContact CG2-CE2 4.17Å; T2147-F2301 HydrophobicContact CG2-CZ 3.98Å; L2228-F2301 HydrophobicContact CB-CE2 4.1Å; L2228-F2301 HydrophobicContact CB-CZ 3.7Å; L2228-F2301 HydrophobicContact CD2-CE2 3.98Å; L2228-F2301 HydrophobicContact CD2-CZ 3.89Å; L2228-F2301 HydrophobicContact CG-CZ 4.44Å; T2232-F2301 HydrophobicContact CG2-CB 3.97Å; T2232-F2301 HydrophobicContact CG2-CD2 3.63Å; T2232-F2301 VanDerWaalsContact CG2-CD2 3.46Å; T2232-F2301 HydrophobicContact CG2-CE2 3.13Å; T2232-F2301 HydrophobicContact CG2-CG 4.39Å; T2232-F2301 HydrophobicContact CG2-CZ 3.95Å; A2272-F2301 PolarHBondContact O-N 3.01Å; G2273-F2301 WeakPolarHBondContact O-CB 3.38Å; L2274-F2301 HydrophobicContact CB-CD1 4.49Å; L2274-F2301 HydrophobicContact CD1-CD1 4.04Å; L2274-F2301 HydrophobicContact CD1-CE1 4.28Å; R2279-F2301 HydrophobicContact CB-CD1 4.45Å; R2279-F2301 WeakPolarHBondContact CD-O 3.4Å; R2279-F2301 HydrophobicContact CG-CD1 3.87Å; R2279-F2301 HydrophobicContact CG-CE1 3.93Å; R2279-F2301 PolarHBondContact NE-O 2.85Å; R2279-F2301 PolarHBondContact NH2-O 3.45Å; F2301-L2325 HydrophobicContact CD1-CD1 4.25Å; F2301-L2325 HydrophobicContact CD2-CD1 4.02Å; F2301-L2325 HydrophobicContact CE1-CD1 4.31Å; F2301-L2325 HydrophobicContact CE2-CD1 3.87Å; F2301-L2325 HydrophobicContact CG-CD1 4.4Å; F2301-L2325 HydrophobicContact CZ-CD1 4.01Å; F2301-L2325 WeakPolarHBondContact O-CB 3.37Å
2302	D	88	Confident	91.8	Very high	14.4 Å²	14.4	18.4 Å²	18.4	8%	0.077	9%	0.093	C	C	.	.	S	Bend	trans	-130.7	-132.6	167.7	-165.7	70.1	0	0	0	108.8	R2279 V2280 C2300 C2324 L2325 G2326 N2399	R2279-D2302 HydrophobicContact CB-CB 4.24Å; R2279-D2302 IonicContact CZ-OD1 3.2Å; R2279-D2302 IonicContact NE-OD1 3.55Å; R2279-D2302 PolarHBondContact NE-OD1 2.92Å; R2279-D2302 IonicContact NH2-OD1 3.46Å; R2279-D2302 PolarHBondContact NH2-OD1 2.95Å; V2280-D2302 WeakPolarHBondContact O-CB 3.37Å; C2300-D2302 VanDerWaalsContact C-N 3.33Å; C2300-D2302 PolarHBondContact O-N 2.75Å; C2300-D2302 PolarHBondContact SG-O 3.08Å; D2302-C2324 WeakPolarHBondContact O-CB 3.34Å; D2302-L2325 PolarHBondContact O-N 2.87Å; D2302-G2326 VanDerWaalsContact C-CA 3.47Å; D2302-G2326 VanDerWaalsContact C-N 3.31Å; D2302-G2326 VanDerWaalsContact O-CA 3.3Å; D2302-G2326 WeakPolarHBondContact O-CA 3.26Å; D2302-G2326 PolarHBondContact O-N 3.21Å; D2302-N2399 PolarHBondContact OD1-ND2 2.88Å
2303	S	92	Very high	91.5	Very high	7.4 Å²	7.4	21.9 Å²	21.9	5%	0.052	12%	0.115	C	C	.	.			trans	-80.5	153.7	-178.2	-53.7	0	0	0	0	112.1	P2281 A2282 C2300 R2327	P2281-S2303 CarbonylContact C-O 3.53Å; P2281-S2303 WeakPolarHBondContact CA-O 3.26Å; A2282-S2303 PolarHBondContact N-O 3.18Å; C2300-S2303 PolarHBondContact SG-O 2.65Å; S2303-R2327 CarbonylContact C-O 3.55Å; S2303-R2327 WeakPolarHBondContact CA-O 3.38Å; S2303-R2327 WeakPolarHBondContact CB-O 3.39Å; S2303-R2327 PolarHBondContact OG-N 3.06Å; S2303-R2327 VanDerWaalsContact OG-N 3.11Å
2304	G	93.3	Very high	91.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-71.7	-57.2	-179	0	0	0	0	0	112.6	A2282 L2283 I2297 C2300 R2327 G2328	A2282-G2304 WeakPolarHBondContact CB-O 3.31Å; A2282-G2304 PolarHBondContact N-O 3.32Å; L2283-G2304 PolarHBondContact N-O 3.07Å; L2283-G2304 VanDerWaalsContact N-O 3.1Å; I2297-G2304 WeakPolarHBondContact CD1-O 3.39Å; C2300-G2304 VanDerWaalsContact SG-CA 3.51Å; C2300-G2304 PolarHBondContact SG-N 3.37Å; C2300-G2304 VanDerWaalsContact SG-N 3.44Å; G2304-R2327 PolarHBondContact N-O 2.98Å; G2304-G2328 WeakPolarHBondContact CA-O 3.4Å; G2304-G2328 PolarHBondContact N-O 3.15Å
2305	L	95.1	Very high	91	Very high	2.6 Å²	2.6	23.5 Å²	23.5	1%	0.014	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.2	-178.9	172.5	55.8	0	0	0	110.1	L2283 I2285 L2292 I2297 L2307 L2316 I2321 G2328 L2329 G2330	L2283-L2305 HydrophobicContact CB-CD1 3.96Å; L2283-L2305 HydrophobicContact CD2-CD1 3.72Å; L2283-L2305 HydrophobicContact CG-CD1 3.6Å; L2283-L2305 CarbonylContact O-C 3.59Å; L2283-L2305 WeakPolarHBondContact O-CA 3.4Å; L2283-L2305 WeakPolarHBondContact O-CD1 3.27Å; I2285-L2305 HydrophobicContact CD1-CD1 4.01Å; I2285-L2305 HydrophobicContact CG1-CD1 4.38Å; L2292-L2305 HydrophobicContact CD1-CD2 4.05Å; I2297-L2305 HydrophobicContact CD1-CB 4.34Å; L2305-L2307 HydrophobicContact CD1-CD2 3.99Å; L2305-L2307 HydrophobicContact CD1-CG 4.36Å; L2305-L2307 HydrophobicContact CD2-CD1 4.45Å; L2305-L2307 HydrophobicContact CG-CD1 4.45Å; L2305-L2307 HydrophobicContact CG-CD2 4.31Å; L2305-L2307 HydrophobicContact CG-CG 4.38Å; L2305-L2316 HydrophobicContact CD2-CD1 4.1Å; L2305-L2316 HydrophobicContact CD2-CD2 4.01Å; L2305-I2321 HydrophobicContact CB-CD1 3.98Å; L2305-G2328 PolarHBondContact N-O 2.97Å; L2305-G2328 VanDerWaalsContact N-O 3.1Å; L2305-L2329 HydrophobicContact CB-CD1 3.9Å; L2305-L2329 HydrophobicContact CD2-CD1 3.71Å; L2305-L2329 HydrophobicContact CG-CD1 3.53Å; L2305-L2329 VanDerWaalsContact CG-CD1 3.49Å; L2305-L2329 CarbonylContact O-C 3.53Å; L2305-L2329 WeakPolarHBondContact O-CA 3.37Å; L2305-L2329 WeakPolarHBondContact O-CD1 3.42Å; L2305-G2330 PolarHBondContact O-N 2.93Å
2306	E	94.4	Very high	90.9	Very high	16 Å²	16	23.4 Å²	23.4	8%	0.075	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.6	173.6	-172.2	67.7	-150.1	0	0	110.2	P2281 L2283 T2284 I2285 I2308 G2330 T2332	P2281-E2306 HydrophobicContact CB-CB 3.89Å; P2281-E2306 HydrophobicContact CG-CB 3.79Å; P2281-E2306 HydrophobicContact CG-CG 4.41Å; L2283-E2306 PolarHBondContact O-N 2.96Å; T2284-E2306 CarbonylContact C-O 3.52Å; T2284-E2306 WeakPolarHBondContact CA-O 3.4Å; I2285-E2306 PolarHBondContact N-O 3.05Å; E2306-I2308 HydrophobicContact CG-CD1 4.12Å; E2306-I2308 HydrophobicContact CG-CG1 3.9Å; E2306-G2330 CarbonylContact C-O 3.55Å; E2306-G2330 WeakPolarHBondContact CA-O 3.32Å; E2306-G2330 VanDerWaalsContact OE2-CA 3.27Å; E2306-G2330 WeakPolarHBondContact OE2-CA 3.37Å; E2306-T2332 PolarHBondContact OE1-OG1 2.9Å; E2306-T2332 VanDerWaalsContact OE1-OG1 3.09Å
2307	L	93.7	Very high	90.7	Very high	4.6 Å²	4.6	20.2 Å²	20.2	2%	0.024	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.6	177.8	-66.8	167.8	0	0	0	109.5	I2285 L2292 L2305 V2314 L2329 G2330 L2331 T2332	I2285-L2307 HydrophobicContact CB-CD2 3.73Å; I2285-L2307 HydrophobicContact CD1-CD2 3.57Å; I2285-L2307 VanDerWaalsContact CD1-CD2 3.44Å; I2285-L2307 HydrophobicContact CG1-CD2 4.13Å; I2285-L2307 HydrophobicContact CG2-CD2 4.11Å; L2292-L2307 HydrophobicContact CD1-CD2 4.44Å; L2305-L2307 HydrophobicContact CD1-CD2 3.99Å; L2305-L2307 HydrophobicContact CD1-CG 4.36Å; L2305-L2307 HydrophobicContact CD2-CD1 4.45Å; L2305-L2307 HydrophobicContact CG-CD1 4.45Å; L2305-L2307 HydrophobicContact CG-CD2 4.31Å; L2305-L2307 HydrophobicContact CG-CG 4.38Å; L2307-V2314 HydrophobicContact CD1-CB 4.45Å; L2307-V2314 HydrophobicContact CD1-CG1 3.68Å; L2307-V2314 VanDerWaalsContact CD1-CG1 3.5Å; L2307-V2314 HydrophobicContact CD1-CG2 4.12Å; L2307-V2314 HydrophobicContact CD2-CG1 4.33Å; L2307-V2314 HydrophobicContact CD2-CG2 4.35Å; L2307-L2329 HydrophobicContact CD1-CD1 4.24Å; L2307-L2329 HydrophobicContact CG-CD1 4.33Å; L2307-G2330 PolarHBondContact N-O 3.22Å; L2307-L2331 HydrophobicContact CB-CB 4.44Å; L2307-L2331 HydrophobicContact CB-CD1 3.55Å; L2307-L2331 HydrophobicContact CD1-CD1 4.19Å; L2307-L2331 CarbonylContact O-C 3.5Å; L2307-L2331 WeakPolarHBondContact O-CA 3.34Å; L2307-T2332 PolarHBondContact O-N 2.95Å
2308	I	91.6	Very high	90.7	Very high	0.4 Å²	0.4	23.1 Å²	23.1	0%	0.002	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.1	-175.4	-52.5	176.8	0	0	0	109.6	T2284 I2285 V2286 Y2287 E2306 T2332 F2334 F2397 L2403 F2406	T2284-I2308 HydrophobicContact CG2-CD1 4.21Å; I2285-I2308 PolarHBondContact O-N 2.88Å; V2286-I2308 WeakPolarHBondContact CA-O 3.36Å; V2286-I2308 HydrophobicContact CG1-CB 4.25Å; V2286-I2308 HydrophobicContact CG1-CG2 4.32Å; V2286-I2308 HydrophobicContact CG2-CB 4.28Å; V2286-I2308 HydrophobicContact CG2-CD1 4.26Å; Y2287-I2308 PolarHBondContact N-O 3.24Å; E2306-I2308 HydrophobicContact CG-CD1 4.12Å; E2306-I2308 HydrophobicContact CG-CG1 3.9Å; I2308-T2332 CarbonylContact C-O 3.51Å; I2308-T2332 WeakPolarHBondContact CA-O 3.34Å; I2308-F2334 HydrophobicContact CG2-CE2 4.49Å; I2308-F2397 HydrophobicContact CB-CZ 4.45Å; I2308-F2397 HydrophobicContact CD1-CD1 4.12Å; I2308-F2397 HydrophobicContact CD1-CE1 3.58Å; I2308-F2397 HydrophobicContact CD1-CE2 4.44Å; I2308-F2397 HydrophobicContact CD1-CZ 3.81Å; I2308-F2397 HydrophobicContact CG1-CE1 3.8Å; I2308-F2397 HydrophobicContact CG1-CZ 4.02Å; I2308-F2397 HydrophobicContact CG2-CE1 4.34Å; I2308-F2397 HydrophobicContact CG2-CE2 4.42Å; I2308-F2397 HydrophobicContact CG2-CZ 3.73Å; I2308-L2403 HydrophobicContact CD1-CD1 4.27Å; I2308-L2403 HydrophobicContact CD1-CD2 3.46Å; I2308-L2403 VanDerWaalsContact CD1-CD2 3.41Å; I2308-F2406 HydrophobicContact CG2-CE2 3.7Å; I2308-F2406 HydrophobicContact CG2-CZ 3.72Å
2309	T	88.2	Confident	90.8	Very high	6 Å²	6	21.8 Å²	21.8	4%	0.037	12%	0.118	C	C	.	.	S	Bend	trans	46.5	55.2	176.5	49.4	0	0	0	0	114.4	Y2287 N2311 T2332 F2334 L2423	Y2287-T2309 VanDerWaalsContact CA-O 3.32Å; Y2287-T2309 WeakPolarHBondContact CA-O 3.21Å; Y2287-T2309 WeakPolarHBondContact CD1-O 3.28Å; Y2287-T2309 WeakPolarHBondContact CD1-OG1 3.27Å; Y2287-T2309 VanDerWaalsContact CE1-OG1 3.28Å; Y2287-T2309 WeakPolarHBondContact CE1-OG1 3.36Å; T2309-N2311 PolarHBondContact O-N 3.15Å; T2309-T2332 PolarHBondContact N-O 3.24Å; T2309-F2334 HydrophobicContact CG2-CB 3.59Å; T2309-F2334 HydrophobicContact CG2-CD2 3.46Å; T2309-F2334 VanDerWaalsContact CG2-CD2 3.47Å; T2309-F2334 HydrophobicContact CG2-CE2 4.33Å; T2309-F2334 HydrophobicContact CG2-CG 3.91Å; T2309-F2334 VanDerWaalsContact CG2-N 3.31Å; T2309-L2423 HydrophobicContact CG2-CD1 4.22Å
2310	P	88.7	Confident	91.1	Very high	7.8 Å²	7.8	21.4 Å²	21.4	5%	0.051	12%	0.117	C	C	.	.			trans	-61.4	128.1	178.2	27	-34.8	0	0	0	111	A2288 G2312 V2314 L2331	A2288-P2310 WeakPolarHBondContact O-CB 3.31Å; P2310-G2312 VanDerWaalsContact C-N 3.25Å; P2310-G2312 PolarHBondContact O-N 3.09Å; P2310-V2314 HydrophobicContact CB-CG2 3.72Å; P2310-V2314 HydrophobicContact CG-CG2 3.71Å; P2310-L2331 HydrophobicContact CG-CD1 4Å
2311	N	82.1	Confident	91.4	Very high	55 Å²	55	21.4 Å²	21.4	29%	0.294	12%	0.117	S	C	.	.	S	Bend	trans	-80.9	18	179.9	-72.3	-34.5	0	0	0	114	Y2287 Y2289 T2309	Y2287-N2311 WeakPolarHBondContact CB-ND2 3.32Å; Y2287-N2311 WeakPolarHBondContact O-CB 3.31Å; Y2287-N2311 PolarHBondContact O-N 3.2Å; Y2287-N2311 PolarHBondContact O-ND2 2.93Å; Y2287-N2311 VanDerWaalsContact O-ND2 3.1Å; Y2289-N2311 HydrophobicContact CD1-CB 4.39Å; Y2289-N2311 HydrophobicContact CE1-CB 4.46Å; T2309-N2311 PolarHBondContact O-N 3.15Å
2312	G	84	Confident	91.8	Very high	3.4 Å²	3.4	22 Å²	22	4%	0.035	12%	0.122	C	C	.	.	S	Bend	trans	-164.4	174.6	-174.2	0	0	0	0	0	112.2	P2310 V2314 L2553	P2310-G2312 VanDerWaalsContact C-N 3.25Å; P2310-G2312 PolarHBondContact O-N 3.09Å; G2312-V2314 PolarHBondContact O-N 3.08Å; G2312-L2553 VanDerWaalsContact C-CD2 3.47Å
2313	P	88.1	Confident	92	Very high	74 Å²	74	27 Å²	27	48%	0.481	14%	0.143	S	C	.	.			trans	-67.5	134.3	-177.7	28.3	-33.5	0	0	0	109.6	L2553 K2554	P2313-L2553 HydrophobicContact CB-CD2 4.33Å; P2313-K2554 VanDerWaalsContact CB-O 3.3Å; P2313-K2554 WeakPolarHBondContact CB-O 3.39Å
2314	V	89.8	Confident	92	Very high	7.4 Å²	7.4	26.7 Å²	26.7	5%	0.045	14%	0.141	C	C	.	.			trans	-98.6	123.4	177.8	175.2	0	0	0	0	107	L2307 P2310 G2312 H2555 E2556	L2307-V2314 HydrophobicContact CD1-CB 4.45Å; L2307-V2314 HydrophobicContact CD1-CG1 3.68Å; L2307-V2314 VanDerWaalsContact CD1-CG1 3.5Å; L2307-V2314 HydrophobicContact CD1-CG2 4.12Å; L2307-V2314 HydrophobicContact CD2-CG1 4.33Å; L2307-V2314 HydrophobicContact CD2-CG2 4.35Å; P2310-V2314 HydrophobicContact CB-CG2 3.72Å; P2310-V2314 HydrophobicContact CG-CG2 3.71Å; G2312-V2314 PolarHBondContact O-N 3.08Å; V2314-H2555 HydrophobicContact CB-CB 4.33Å; V2314-H2555 WeakPolarHBondContact CB-ND1 3.28Å; V2314-H2555 WeakPolarHBondContact CG2-ND1 3.42Å; V2314-H2555 PolarHBondContact N-ND1 3.09Å; V2314-H2555 VanDerWaalsContact N-ND1 3.17Å; V2314-H2555 CarbonylContact O-C 3.57Å; V2314-H2555 WeakPolarHBondContact O-CA 3.29Å; V2314-E2556 PolarHBondContact O-N 3.23Å
2315	K	91.8	Very high	91.7	Very high	108.4 Å²	108.4	28.3 Å²	28.3	47%	0.471	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	110.1	170.9	-177.1	164.1	-179.1	144.3	0	109.1	T2317 E2556	K2315-T2317 HydrophobicContact CD-CG2 4.44Å; K2315-T2317 VanDerWaalsContact CE-CG2 3.5Å; K2315-T2317 HydrophobicContact CG-CG2 3.96Å; K2315-E2556 WeakPolarHBondContact CA-O 3.29Å; K2315-E2556 WeakPolarHBondContact CE-OE1 3.35Å; K2315-E2556 IonicContact NZ-OE1 3.63Å; K2315-E2556 PolarHBondContact NZ-OE1 3.18Å
2316	L	94.8	Very high	91.4	Very high	0.6 Å²	0.6	28.2 Å²	28.2	0%	0.003	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121	175.7	-173.6	68.5	0	0	0	108.6	L2292 L2305 C2319 L2329 E2556 I2557 D2558	L2292-L2316 HydrophobicContact CB-CD1 3.46Å; L2292-L2316 VanDerWaalsContact CB-CD1 3.44Å; L2292-L2316 HydrophobicContact CD1-CD1 3.87Å; L2292-L2316 HydrophobicContact CG-CD1 4.31Å; L2292-L2316 WeakPolarHBondContact O-CA 3.43Å; L2305-L2316 HydrophobicContact CD2-CD1 4.1Å; L2305-L2316 HydrophobicContact CD2-CD2 4.01Å; L2316-C2319 HydrophobicContact CD1-CB 4.08Å; L2316-C2319 WeakPolarHBondContact CD1-SG 3.42Å; L2316-C2319 HydrophobicContact CD2-CB 4.37Å; L2316-C2319 HydrophobicContact CG-CB 4.16Å; L2316-L2329 HydrophobicContact CD2-CD2 3.65Å; L2316-E2556 PolarHBondContact N-O 3.31Å; L2316-I2557 HydrophobicContact CB-CG1 4.36Å; L2316-I2557 HydrophobicContact CB-CG2 4.45Å; L2316-I2557 HydrophobicContact CD2-CG2 4.22Å; L2316-D2558 PolarHBondContact O-N 3.22Å
2317	T	94.4	Very high	91.3	Very high	24.4 Å²	24.4	29 Å²	29	15%	0.15	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141	-176.7	54.2	0	0	0	0	112.4	L2292 S2293 F2294 K2315 C2319 D2558	L2292-T2317 PolarHBondContact O-N 3.32Å; L2292-T2317 VanDerWaalsContact O-N 3.1Å; L2292-T2317 PolarHBondContact O-OG1 2.76Å; S2293-T2317 CarbonylContact C-O 3.48Å; S2293-T2317 VanDerWaalsContact CA-O 3.27Å; S2293-T2317 WeakPolarHBondContact CA-O 3.43Å; S2293-T2317 VanDerWaalsContact CB-OG1 3.28Å; S2293-T2317 WeakPolarHBondContact CB-OG1 3.3Å; F2294-T2317 PolarHBondContact N-O 2.99Å; F2294-T2317 VanDerWaalsContact N-O 3.09Å; K2315-T2317 HydrophobicContact CD-CG2 4.44Å; K2315-T2317 VanDerWaalsContact CE-CG2 3.5Å; K2315-T2317 HydrophobicContact CG-CG2 3.96Å; T2317-C2319 VanDerWaalsContact C-N 3.29Å; T2317-C2319 PolarHBondContact O-N 3Å; T2317-C2319 PolarHBondContact O-SG 2.93Å; T2317-D2558 VanDerWaalsContact CA-O 3.32Å; T2317-D2558 WeakPolarHBondContact CA-O 3.38Å; T2317-D2558 HydrophobicContact CG2-CB 4.38Å
2318	N	95.1	Very high	91.2	Very high	63 Å²	63	28.8 Å²	28.8	34%	0.337	15%	0.151	S	C	.	.	S	Bend	trans	56.2	39.9	174.3	-62.3	-16.5	0	0	0	113.6	F2294 I2295 D2558 T2559	F2294-N2318 CarbonylContact C-O 3.6Å; F2294-N2318 VanDerWaalsContact CA-O 3.26Å; F2294-N2318 WeakPolarHBondContact CA-O 3.39Å; F2294-N2318 HydrophobicContact CD1-CB 3.63Å; F2294-N2318 HydrophobicContact CE1-CB 3.71Å; F2294-N2318 WeakPolarHBondContact CE1-ND2 3.29Å; F2294-N2318 HydrophobicContact CE2-CB 4.48Å; F2294-N2318 HydrophobicContact CG-CB 4.12Å; F2294-N2318 HydrophobicContact CZ-CB 4.24Å; F2294-N2318 WeakPolarHBondContact CZ-ND2 3.41Å; F2294-N2318 PolarHBondContact N-O 3.14Å; F2294-N2318 VanDerWaalsContact N-O 3.12Å; I2295-N2318 PolarHBondContact N-O 3.23Å; N2318-D2558 PolarHBondContact N-O 3.11Å; N2318-T2559 VanDerWaalsContact CA-O 3.24Å; N2318-T2559 WeakPolarHBondContact CA-O 3.33Å; N2318-T2559 PolarHBondContact N-O 3.17Å; N2318-T2559 PolarHBondContact N-OG1 3.26Å; N2318-T2559 VanDerWaalsContact N-OG1 3.1Å; N2318-T2559 VanDerWaalsContact OD1-CB 3.26Å; N2318-T2559 WeakPolarHBondContact OD1-CB 3.42Å; N2318-T2559 VanDerWaalsContact OD1-CG2 3.25Å; N2318-T2559 WeakPolarHBondContact OD1-CG2 3.45Å; N2318-T2559 PolarHBondContact OD1-OG1 2.8Å
2319	C	96.1	Very high	91.4	Very high	2.8 Å²	2.8	28.8 Å²	28.8	2%	0.019	15%	0.151	C	C	.	.			trans	-101.8	143.3	-179.4	-79.8	0	0	0	0	111.6	I2295 L2316 T2317 C2560 E2561	I2295-C2319 HydrophobicContact CB-CB 4.49Å; I2295-C2319 PolarHBondContact N-SG 3.09Å; I2295-C2319 CarbonylContact O-C 3.53Å; I2295-C2319 VanDerWaalsContact O-CA 3.24Å; I2295-C2319 WeakPolarHBondContact O-CA 3.3Å; I2295-C2319 WeakPolarHBondContact O-CB 3.3Å; I2295-C2319 PolarHBondContact O-SG 3.03Å; I2295-C2319 VanDerWaalsContact O-SG 3.38Å; L2316-C2319 HydrophobicContact CD1-CB 4.08Å; L2316-C2319 WeakPolarHBondContact CD1-SG 3.42Å; L2316-C2319 HydrophobicContact CD2-CB 4.37Å; L2316-C2319 HydrophobicContact CG-CB 4.16Å; T2317-C2319 VanDerWaalsContact C-N 3.29Å; T2317-C2319 PolarHBondContact O-N 3Å; T2317-C2319 PolarHBondContact O-SG 2.93Å; C2319-C2560 CarbonylContact O-C 3.52Å; C2319-C2560 VanDerWaalsContact O-CA 3.24Å; C2319-C2560 WeakPolarHBondContact O-CA 3.26Å; C2319-E2561 PolarHBondContact O-N 2.93Å
2320	T	96.2	Very high	91.7	Very high	41.4 Å²	41.4	28.6 Å²	28.6	25%	0.254	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.3	178.3	57.2	0	0	0	0	109.6	I2295 K2296 I2297 E2561	I2295-T2320 PolarHBondContact O-N 3.11Å; K2296-T2320 CarbonylContact C-O 3.55Å; K2296-T2320 VanDerWaalsContact CA-O 3.3Å; K2296-T2320 WeakPolarHBondContact CA-O 3.36Å; K2296-T2320 WeakPolarHBondContact CG-OG1 3.31Å; I2297-T2320 PolarHBondContact N-O 2.98Å; T2320-E2561 CarbonylContact C-O 3.57Å; T2320-E2561 WeakPolarHBondContact CA-O 3.36Å; T2320-E2561 HydrophobicContact CG2-CB 4.13Å; T2320-E2561 HydrophobicContact CG2-CG 4.2Å
2321	I	96.9	Very high	91.9	Very high	2.6 Å²	2.6	28.3 Å²	28.3	1%	0.013	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117.6	-178.3	-54.8	-174	0	0	0	109.1	I2297 L2305 C2324 G2328 E2561 F2562 H2563 N2565	I2297-I2321 HydrophobicContact CB-CB 4.47Å; I2297-I2321 HydrophobicContact CB-CG1 4.16Å; I2297-I2321 HydrophobicContact CB-CG2 4.25Å; I2297-I2321 HydrophobicContact CD1-CD1 4.18Å; I2297-I2321 HydrophobicContact CD1-CG1 4.4Å; I2297-I2321 HydrophobicContact CG1-CG1 4.37Å; I2297-I2321 HydrophobicContact CG2-CG2 4.42Å; I2297-I2321 CarbonylContact O-C 3.59Å; I2297-I2321 VanDerWaalsContact O-CA 3.31Å; I2297-I2321 WeakPolarHBondContact O-CA 3.33Å; L2305-I2321 HydrophobicContact CB-CD1 3.98Å; I2321-C2324 VanDerWaalsContact CG2-SG 3.57Å; I2321-G2328 VanDerWaalsContact CD1-O 3.25Å; I2321-G2328 WeakPolarHBondContact CD1-O 3.38Å; I2321-E2561 PolarHBondContact N-O 2.87Å; I2321-F2562 HydrophobicContact CB-CD1 4.08Å; I2321-F2562 HydrophobicContact CB-CE1 4.37Å; I2321-F2562 HydrophobicContact CD1-CD1 4.48Å; I2321-F2562 HydrophobicContact CD1-CE1 4.07Å; I2321-F2562 HydrophobicContact CG1-CE1 4.42Å; I2321-F2562 WeakPolarHBondContact O-CA 3.33Å; I2321-H2563 PolarHBondContact O-N 3.15Å; I2321-H2563 VanDerWaalsContact O-N 3.08Å; I2321-N2565 PolarHBondContact O-ND2 3.04Å; I2321-N2565 VanDerWaalsContact O-ND2 3.14Å
2322	S	94.7	Very high	92.4	Very high	19 Å²	19	25.7 Å²	25.7	13%	0.133	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.6	-173.8	76.9	0	0	0	0	115.8	I2297 N2298 N2299 C2324 H2563	I2297-S2322 PolarHBondContact O-N 3.07Å; N2298-S2322 WeakPolarHBondContact CA-O 3.33Å; N2298-S2322 PolarHBondContact OD1-OG 3.09Å; N2298-S2322 VanDerWaalsContact OD1-OG 3.08Å; N2299-S2322 PolarHBondContact N-O 3.21Å; N2299-S2322 VanDerWaalsContact N-O 3.12Å; S2322-C2324 VanDerWaalsContact C-N 3.26Å; S2322-C2324 PolarHBondContact O-N 3.2Å; S2322-C2324 PolarHBondContact O-SG 2.79Å; S2322-C2324 VanDerWaalsContact O-SG 3.42Å; S2322-H2563 CarbonylContact C-O 3.49Å; S2322-H2563 WeakPolarHBondContact CA-O 3.39Å; S2322-H2563 VanDerWaalsContact CB-O 3.29Å; S2322-H2563 WeakPolarHBondContact CB-O 3.38Å
2323	K	91.5	Very high	92.7	Very high	120 Å²	120	25.7 Å²	25.7	52%	0.522	13%	0.133	S	C	.	.	S	Bend	trans	58.6	34.2	175.1	-54.7	175.2	-178.8	175.6	0	113.5	N2299 C2300 H2563 H2564 N2565	N2299-K2323 WeakPolarHBondContact CA-O 3.36Å; N2299-K2323 WeakPolarHBondContact OD1-CD 3.28Å; C2300-K2323 PolarHBondContact N-O 2.86Å; K2323-H2563 PolarHBondContact N-O 3.22Å; K2323-H2564 WeakPolarHBondContact CA-O 3.42Å; K2323-H2564 HydrophobicContact CG-CB 4.22Å; K2323-N2565 PolarHBondContact N-OD1 3.17Å
2324	C	91.5	Very high	92.6	Very high	0.4 Å²	0.4	22.3 Å²	22.3	0%	0.003	11%	0.11	C	C	.	.			trans	-87.3	139.4	174.2	-60.1	0	0	0	0	110.6	C2300 D2302 I2321 S2322 G2326 N2565 Q2566	C2300-C2324 HydrophobicContact CB-CB 3.96Å; C2300-C2324 VanDerWaalsContact CB-CB 3.45Å; C2300-C2324 VanDerWaalsContact CB-SG 3.53Å; C2300-C2324 WeakPolarHBondContact CB-SG 3.31Å; C2300-C2324 PolarHBondContact N-SG 3.17Å; C2300-C2324 VanDerWaalsContact N-SG 3.39Å; C2300-C2324 WeakPolarHBondContact O-CA 3.29Å; C2300-C2324 WeakPolarHBondContact SG-CB 3.21Å; C2300-C2324 CovalentContact SG-SG 2.04Å; C2300-C2324 PolarHBondContact SG-SG 2.96Å; C2300-C2324 VanDerWaalsContact SG-SG 3.65Å; D2302-C2324 WeakPolarHBondContact O-CB 3.34Å; I2321-C2324 VanDerWaalsContact CG2-SG 3.57Å; S2322-C2324 VanDerWaalsContact C-N 3.26Å; S2322-C2324 PolarHBondContact O-N 3.2Å; S2322-C2324 PolarHBondContact O-SG 2.79Å; S2322-C2324 VanDerWaalsContact O-SG 3.42Å; C2324-G2326 VanDerWaalsContact C-N 3.3Å; C2324-G2326 PolarHBondContact O-N 3.39Å; C2324-N2565 VanDerWaalsContact CB-OD1 3.28Å; C2324-N2565 WeakPolarHBondContact CB-OD1 3.4Å; C2324-N2565 PolarHBondContact N-OD1 3.12Å; C2324-N2565 VanDerWaalsContact N-OD1 3.09Å; C2324-N2565 WeakPolarHBondContact O-CA 3.2Å; C2324-N2565 PolarHBondContact SG-OD1 3Å; C2324-Q2566 PolarHBondContact O-N 2.77Å
2325	L	87.9	Confident	92	Very high	34.8 Å²	34.8	22.6 Å²	22.6	18%	0.182	11%	0.111	C	C	.	.	S	Bend	trans	-74.7	-21.6	176.5	-58.7	-178.9	0	0	0	112.6	T2147 C2300 F2301 D2302 Q2566	T2147-L2325 HydrophobicContact CG2-CD1 3.81Å; C2300-L2325 PolarHBondContact O-N 3Å; F2301-L2325 HydrophobicContact CD1-CD1 4.25Å; F2301-L2325 HydrophobicContact CD2-CD1 4.02Å; F2301-L2325 HydrophobicContact CE1-CD1 4.31Å; F2301-L2325 HydrophobicContact CE2-CD1 3.87Å; F2301-L2325 HydrophobicContact CG-CD1 4.4Å; F2301-L2325 HydrophobicContact CZ-CD1 4.01Å; F2301-L2325 WeakPolarHBondContact O-CB 3.37Å; D2302-L2325 PolarHBondContact O-N 2.87Å; L2325-Q2566 VanDerWaalsContact CD2-CD 3.4Å; L2325-Q2566 HydrophobicContact CD2-CG 4.42Å; L2325-Q2566 VanDerWaalsContact CD2-NE2 3.31Å; L2325-Q2566 VanDerWaalsContact CD2-OE1 3.3Å; L2325-Q2566 WeakPolarHBondContact O-CB 3.36Å
2326	G	88.6	Confident	90.8	Very high	0.4 Å²	0.4	17.8 Å²	17.8	0%	0.004	9%	0.092	C	C	.	.	S	Bend	trans	-93.4	-144.4	169.5	0	0	0	0	0	111.7	D2302 C2324 Q2566 E2567	D2302-G2326 VanDerWaalsContact C-CA 3.47Å; D2302-G2326 VanDerWaalsContact C-N 3.31Å; D2302-G2326 VanDerWaalsContact O-CA 3.3Å; D2302-G2326 WeakPolarHBondContact O-CA 3.26Å; D2302-G2326 PolarHBondContact O-N 3.21Å; C2324-G2326 VanDerWaalsContact C-N 3.3Å; C2324-G2326 PolarHBondContact O-N 3.39Å; G2326-Q2566 PolarHBondContact O-N 2.91Å; G2326-E2567 PolarHBondContact O-N 3.15Å
2327	R	90.8	Very high	89.2	Confident	33.6 Å²	33.6	18.8 Å²	18.8	13%	0.127	10%	0.097	C	C	.	.			trans	-90.4	159.6	179.9	-59.8	179.4	-178.7	-145.6	7.2	110.8	S2303 G2304 E2567 G2568 R2571 E2606	S2303-R2327 CarbonylContact C-O 3.55Å; S2303-R2327 WeakPolarHBondContact CA-O 3.38Å; S2303-R2327 WeakPolarHBondContact CB-O 3.39Å; S2303-R2327 PolarHBondContact OG-N 3.06Å; S2303-R2327 VanDerWaalsContact OG-N 3.11Å; G2304-R2327 PolarHBondContact N-O 2.98Å; R2327-E2567 HydrophobicContact CG-CB 3.57Å; R2327-E2567 WeakPolarHBondContact CG-O 3.16Å; R2327-E2567 IonicContact NE-OE2 3.04Å; R2327-G2568 WeakPolarHBondContact CA-O 3.41Å; R2327-R2571 VanDerWaalsContact CZ-CD 3.46Å; R2327-R2571 VanDerWaalsContact NH1-CB 3.29Å; R2327-R2571 VanDerWaalsContact NH1-CD 3.28Å; R2327-R2571 VanDerWaalsContact NH1-CG 3.3Å; R2327-E2606 IonicContact CZ-OE2 3.01Å; R2327-E2606 VanDerWaalsContact CZ-OE2 3.28Å; R2327-E2606 IonicContact NH1-OE1 2.74Å; R2327-E2606 IonicContact NH1-OE2 3.53Å; R2327-E2606 PolarHBondContact NH1-OE2 3.04Å; R2327-E2606 IonicContact NH2-OE2 3.1Å; R2327-E2606 PolarHBondContact NH2-OE2 2.81Å
2328	G	92.8	Very high	87.4	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-63.6	-62.8	170.7	0	0	0	0	0	112	G2304 L2305 I2321 G2568 G2569	G2304-G2328 WeakPolarHBondContact CA-O 3.4Å; G2304-G2328 PolarHBondContact N-O 3.15Å; L2305-G2328 PolarHBondContact N-O 2.97Å; L2305-G2328 VanDerWaalsContact N-O 3.1Å; I2321-G2328 VanDerWaalsContact CD1-O 3.25Å; I2321-G2328 WeakPolarHBondContact CD1-O 3.38Å; G2328-G2568 PolarHBondContact N-O 3.04Å; G2328-G2568 VanDerWaalsContact N-O 3.13Å; G2328-G2569 CarbonylContact C-O 3.52Å; G2328-G2569 WeakPolarHBondContact CA-O 3.32Å; G2328-G2569 PolarHBondContact N-O 3.04Å; G2328-G2569 VanDerWaalsContact N-O 3.11Å
2329	L	95.2	Very high	85.5	Confident	0.8 Å²	0.8	19 Å²	19	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	128.9	-179	172.5	58.9	0	0	0	111.1	L2305 L2307 L2316 I2557 F2562 G2569 L2570 R2571	L2305-L2329 HydrophobicContact CB-CD1 3.9Å; L2305-L2329 HydrophobicContact CD2-CD1 3.71Å; L2305-L2329 HydrophobicContact CG-CD1 3.53Å; L2305-L2329 VanDerWaalsContact CG-CD1 3.49Å; L2305-L2329 CarbonylContact O-C 3.53Å; L2305-L2329 WeakPolarHBondContact O-CA 3.37Å; L2305-L2329 WeakPolarHBondContact O-CD1 3.42Å; L2307-L2329 HydrophobicContact CD1-CD1 4.24Å; L2307-L2329 HydrophobicContact CG-CD1 4.33Å; L2316-L2329 HydrophobicContact CD2-CD2 3.65Å; L2329-I2557 HydrophobicContact CD2-CD1 3.55Å; L2329-I2557 HydrophobicContact CD2-CG1 4.16Å; L2329-I2557 HydrophobicContact CD2-CG2 4.33Å; L2329-F2562 HydrophobicContact CB-CE1 3.67Å; L2329-F2562 HydrophobicContact CB-CZ 3.91Å; L2329-F2562 HydrophobicContact CD2-CZ 4.23Å; L2329-G2569 PolarHBondContact N-O 3.05Å; L2329-L2570 HydrophobicContact CB-CD1 3.89Å; L2329-L2570 HydrophobicContact CD2-CD1 3.64Å; L2329-L2570 HydrophobicContact CG-CD1 3.63Å; L2329-L2570 CarbonylContact O-C 3.53Å; L2329-L2570 WeakPolarHBondContact O-CA 3.26Å; L2329-R2571 PolarHBondContact O-N 2.94Å
2330	G	93.8	Very high	83.4	Confident	0.4 Å²	0.4	20.6 Å²	20.6	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.9	166.8	0	0	0	0	0	111.9	L2305 E2306 L2307 R2571	L2305-G2330 PolarHBondContact O-N 2.93Å; E2306-G2330 CarbonylContact C-O 3.55Å; E2306-G2330 WeakPolarHBondContact CA-O 3.32Å; E2306-G2330 VanDerWaalsContact OE2-CA 3.27Å; E2306-G2330 WeakPolarHBondContact OE2-CA 3.37Å; L2307-G2330 PolarHBondContact N-O 3.22Å; G2330-R2571 CarbonylContact C-O 3.51Å; G2330-R2571 WeakPolarHBondContact CA-O 3.2Å
2331	L	94.3	Very high	81.1	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	108.3	173.8	173	61.3	0	0	0	108.8	L2307 P2310 I2333 H2555 R2571 I2572 T2573	L2307-L2331 HydrophobicContact CB-CB 4.44Å; L2307-L2331 HydrophobicContact CB-CD1 3.55Å; L2307-L2331 HydrophobicContact CD1-CD1 4.19Å; L2307-L2331 CarbonylContact O-C 3.5Å; L2307-L2331 WeakPolarHBondContact O-CA 3.34Å; P2310-L2331 HydrophobicContact CG-CD1 4Å; L2331-I2333 HydrophobicContact CD1-CD1 3.92Å; L2331-I2333 HydrophobicContact CD1-CG1 3.85Å; L2331-I2333 HydrophobicContact CD2-CD1 3.96Å; L2331-I2333 HydrophobicContact CG-CD1 3.8Å; L2331-I2333 HydrophobicContact CG-CG1 4.01Å; L2331-H2555 HydrophobicContact CD2-CB 4.34Å; L2331-R2571 PolarHBondContact N-O 2.87Å; L2331-I2572 HydrophobicContact CB-CG1 4.22Å; L2331-I2572 HydrophobicContact CB-CG2 4.24Å; L2331-I2572 HydrophobicContact CD2-CD1 4.44Å; L2331-I2572 HydrophobicContact CD2-CG1 4.43Å; L2331-I2572 HydrophobicContact CD2-CG2 3.95Å; L2331-I2572 HydrophobicContact CG-CG2 4.08Å; L2331-I2572 CarbonylContact O-C 3.5Å; L2331-I2572 WeakPolarHBondContact O-CA 3.33Å; L2331-T2573 PolarHBondContact O-N 2.96Å
2332	T	92.2	Very high	78.9	Confident	0.4 Å²	0.4	23.6 Å²	23.6	0%	0.002	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.7	-179.1	-57.8	0	0	0	0	110	E2306 L2307 I2308 T2309 F2334 P2396 F2397 T2573	E2306-T2332 PolarHBondContact OE1-OG1 2.9Å; E2306-T2332 VanDerWaalsContact OE1-OG1 3.09Å; L2307-T2332 PolarHBondContact O-N 2.95Å; I2308-T2332 CarbonylContact C-O 3.51Å; I2308-T2332 WeakPolarHBondContact CA-O 3.34Å; T2309-T2332 PolarHBondContact N-O 3.24Å; T2332-F2334 HydrophobicContact CG2-CE1 3.93Å; T2332-F2334 HydrophobicContact CG2-CE2 3.9Å; T2332-F2334 HydrophobicContact CG2-CZ 3.45Å; T2332-F2334 VanDerWaalsContact CG2-CZ 3.43Å; T2332-P2396 HydrophobicContact CG2-CB 4.45Å; T2332-F2397 HydrophobicContact CG2-CE1 4.04Å; T2332-F2397 HydrophobicContact CG2-CZ 3.83Å; T2332-T2573 CarbonylContact C-O 3.46Å; T2332-T2573 WeakPolarHBondContact CA-O 3.35Å; T2332-T2573 WeakPolarHBondContact CA-OG1 3.43Å; T2332-T2573 WeakPolarHBondContact CB-OG1 3.36Å; T2332-T2573 PolarHBondContact OG1-OG1 2.75Å
2333	I	89.9	Confident	76.6	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.7	-172.2	-58.6	167.4	0	0	0	109.8	L2331 N2335 H2555 T2573 S2574 V2575 P2580	L2331-I2333 HydrophobicContact CD1-CD1 3.92Å; L2331-I2333 HydrophobicContact CD1-CG1 3.85Å; L2331-I2333 HydrophobicContact CD2-CD1 3.96Å; L2331-I2333 HydrophobicContact CG-CD1 3.8Å; L2331-I2333 HydrophobicContact CG-CG1 4.01Å; I2333-N2335 HydrophobicContact CG2-CB 4.3Å; I2333-N2335 VanDerWaalsContact CG2-CG 3.45Å; I2333-N2335 VanDerWaalsContact CG2-ND2 3.33Å; I2333-N2335 WeakPolarHBondContact CG2-ND2 3.36Å; I2333-N2335 VanDerWaalsContact CG2-OD1 3.3Å; I2333-N2335 WeakPolarHBondContact CG2-OD1 3.39Å; I2333-H2555 WeakPolarHBondContact CD1-NE2 3.22Å; I2333-T2573 PolarHBondContact N-O 3.11Å; I2333-S2574 WeakPolarHBondContact O-CA 3.36Å; I2333-V2575 PolarHBondContact O-N 3.01Å; I2333-P2580 HydrophobicContact CD1-CB 4.37Å; I2333-P2580 HydrophobicContact CD1-CG 3.69Å
2334	F	86.7	Confident	74.2	Confident	1.4 Å²	1.4	24.5 Å²	24.5	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	94.9	174.8	-57.2	-56.2	0	0	0	110.1	I2308 T2309 T2332 L2392 P2396 F2397 F2406 R2421 L2423 L2456 I2532 V2575	I2308-F2334 HydrophobicContact CG2-CE2 4.49Å; T2309-F2334 HydrophobicContact CG2-CB 3.59Å; T2309-F2334 HydrophobicContact CG2-CD2 3.46Å; T2309-F2334 VanDerWaalsContact CG2-CD2 3.47Å; T2309-F2334 HydrophobicContact CG2-CE2 4.33Å; T2309-F2334 HydrophobicContact CG2-CG 3.91Å; T2309-F2334 VanDerWaalsContact CG2-N 3.31Å; T2332-F2334 HydrophobicContact CG2-CE1 3.93Å; T2332-F2334 HydrophobicContact CG2-CE2 3.9Å; T2332-F2334 HydrophobicContact CG2-CZ 3.45Å; T2332-F2334 VanDerWaalsContact CG2-CZ 3.43Å; F2334-L2392 HydrophobicContact CE1-CD1 4.37Å; F2334-P2396 HydrophobicContact CE1-CG 4.41Å; F2334-P2396 HydrophobicContact CZ-CG 3.87Å; F2334-F2397 AromaticContact CE2-CE2 3.92Å; F2334-F2397 HydrophobicContact CE2-CE2 3.99Å; F2334-F2397 AromaticContact CE2-CZ 3.77Å; F2334-F2397 HydrophobicContact CE2-CZ 3.88Å; F2334-F2397 HydrophobicContact CZ-CE2 4.15Å; F2334-F2397 AromaticContact CZ-CZ 3.93Å; F2334-F2397 HydrophobicContact CZ-CZ 4.08Å; F2334-F2406 HydrophobicContact CD2-CE1 4.2Å; F2334-F2406 HydrophobicContact CD2-CZ 4.09Å; F2334-F2406 HydrophobicContact CE2-CE1 4.21Å; F2334-F2406 HydrophobicContact CE2-CZ 4.06Å; F2334-R2421 PolarHBondContact O-NH1 3.05Å; F2334-R2421 PolarHBondContact O-NH2 3.14Å; F2334-L2423 HydrophobicContact CB-CD1 4.27Å; F2334-L2423 HydrophobicContact CD2-CD1 4.22Å; F2334-L2423 HydrophobicContact CG-CD1 4.48Å; F2334-L2456 HydrophobicContact CB-CD1 3.86Å; F2334-L2456 HydrophobicContact CD1-CB 4.1Å; F2334-L2456 HydrophobicContact CD1-CD1 4.31Å; F2334-L2456 HydrophobicContact CE1-CB 4.47Å; F2334-L2456 HydrophobicContact CG-CD1 4.21Å; F2334-I2532 HydrophobicContact CD2-CG2 4.45Å; F2334-I2532 HydrophobicContact CE1-CD1 4.37Å; F2334-I2532 HydrophobicContact CE2-CD1 3.78Å; F2334-I2532 HydrophobicContact CE2-CG2 4.31Å; F2334-I2532 HydrophobicContact CZ-CD1 3.5Å; F2334-I2532 VanDerWaalsContact CZ-CD1 3.47Å; F2334-I2532 HydrophobicContact CZ-CG2 4.41Å; F2334-V2575 HydrophobicContact CD1-CB 4.28Å; F2334-V2575 HydrophobicContact CD1-CG2 4.5Å; F2334-V2575 HydrophobicContact CE1-CG2 4.45Å
2335	N	76.8	Confident	71.7	Confident	13.2 Å²	13.2	26 Å²	26	7%	0.071	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-98	132.5	179.9	-73.7	-27.5	0	0	0	110.9	I2333 N2550 V2575 G2576 E2577 F2578	I2333-N2335 HydrophobicContact CG2-CB 4.3Å; I2333-N2335 VanDerWaalsContact CG2-CG 3.45Å; I2333-N2335 VanDerWaalsContact CG2-ND2 3.33Å; I2333-N2335 WeakPolarHBondContact CG2-ND2 3.36Å; I2333-N2335 VanDerWaalsContact CG2-OD1 3.3Å; I2333-N2335 WeakPolarHBondContact CG2-OD1 3.39Å; N2335-N2550 PolarHBondContact OD1-ND2 2.96Å; N2335-V2575 PolarHBondContact N-O 2.96Å; N2335-G2576 CarbonylContact O-C 3.55Å; N2335-G2576 VanDerWaalsContact O-CA 3.32Å; N2335-G2576 WeakPolarHBondContact O-CA 3.3Å; N2335-E2577 PolarHBondContact O-N 2.74Å; N2335-F2578 VanDerWaalsContact CB-O 3.24Å; N2335-F2578 WeakPolarHBondContact CB-O 3.39Å; N2335-F2578 VanDerWaalsContact CG-O 3.28Å; N2335-F2578 PolarHBondContact ND2-O 2.92Å
2336	S	66.5	Low	69.2	Low	8.8 Å²	8.8	28.1 Å²	28.1	6%	0.062	17%	0.171	C	C	.	.			trans	-92	149.3	178.1	-164.6	0	0	0	0	110.4	R2421 R2454 E2534 I2536 Q2547	S2336-R2421 WeakPolarHBondContact OG-CD 3.27Å; S2336-R2421 PolarHBondContact OG-NE 2.82Å; S2336-R2454 VanDerWaalsContact OG-CD 3.31Å; S2336-R2454 WeakPolarHBondContact OG-CD 3.47Å; S2336-R2454 PolarHBondContact OG-NH1 3.39Å; S2336-E2534 WeakPolarHBondContact CA-OE2 3.4Å; S2336-E2534 WeakPolarHBondContact CB-OE1 3.39Å; S2336-E2534 WeakPolarHBondContact CB-OE2 3.49Å; S2336-E2534 PolarHBondContact OG-OE2 3.09Å; S2336-I2536 VanDerWaalsContact OG-CD1 3.27Å; S2336-I2536 WeakPolarHBondContact OG-CD1 3.38Å; S2336-Q2547 PolarHBondContact OG-NE2 3.15Å; S2336-Q2547 VanDerWaalsContact OG-NE2 3.17Å
2337	D	61	Low	66.8	Low	22.2 Å²	22.2	35.8 Å²	35.8	12%	0.119	21%	0.207	C	C	.	.			trans	-91.9	138.4	161.8	-146.2	-39.5	0	0	0	109.7	T2339 R2389 R2454 E2534 I2536 R2551 E2577 F2578	D2337-T2339 PolarHBondContact O-N 2.88Å; D2337-T2339 WeakPolarHBondContact OD1-CA 3.3Å; D2337-T2339 VanDerWaalsContact OD1-CB 3.27Å; D2337-T2339 WeakPolarHBondContact OD1-CB 3.4Å; D2337-T2339 WeakPolarHBondContact OD1-CG2 3.31Å; D2337-T2339 PolarHBondContact OD1-N 2.95Å; D2337-T2339 PolarHBondContact OD1-OG1 3.12Å; D2337-T2339 PolarHBondContact OD2-OG1 2.81Å; D2337-R2389 IonicContact OD1-NH2 2.64Å; D2337-R2389 IonicContact OD2-NE 3.77Å; D2337-R2454 IonicContact OD2-CZ 3.48Å; D2337-R2454 IonicContact OD2-NH1 3.26Å; D2337-R2454 PolarHBondContact OD2-NH1 2.92Å; D2337-R2454 IonicContact OD2-NH2 3Å; D2337-R2454 PolarHBondContact OD2-NH2 3.05Å; D2337-E2534 PolarHBondContact N-OE1 2.91Å; D2337-I2536 WeakPolarHBondContact O-CD1 3.31Å; D2337-R2551 IonicContact OD2-NH2 2.84Å; D2337-R2551 PolarHBondContact OD2-NH2 3.24Å; D2337-R2551 VanDerWaalsContact OD2-NH2 3.13Å; D2337-E2577 WeakPolarHBondContact CA-OE2 3.17Å; D2337-E2577 HydrophobicContact CB-CB 4.13Å; D2337-E2577 HydrophobicContact CB-CG 4.47Å; D2337-E2577 WeakPolarHBondContact OD1-CB 3.46Å; D2337-E2577 VanDerWaalsContact OD1-CD 3.31Å; D2337-E2577 VanDerWaalsContact OD1-CG 3.3Å; D2337-E2577 WeakPolarHBondContact OD1-CG 3.46Å; D2337-F2578 HydrophobicContact CB-CD2 4.47Å; D2337-F2578 HydrophobicContact CB-CE2 3.54Å; D2337-F2578 HydrophobicContact CB-CZ 3.93Å; D2337-F2578 VanDerWaalsContact CG-CE2 3.44Å; D2337-F2578 WeakPolarHBondContact OD2-CE2 3.37Å; D2337-F2578 WeakPolarHBondContact OD2-CZ 3.46Å
2338	S	56.2	Low	64.3	Low	43.6 Å²	43.6	40.5 Å²	40.5	31%	0.305	24%	0.235	S	C	.	.			trans	-98	-6.4	175.1	64.6	0	0	0	0	113	D2340 T2343 L2538 L2540 E2577	S2338-D2340 VanDerWaalsContact C-N 3.26Å; S2338-D2340 PolarHBondContact O-N 2.95Å; S2338-T2343 PolarHBondContact O-OG1 2.78Å; S2338-L2538 WeakPolarHBondContact O-CD2 3.5Å; S2338-L2540 VanDerWaalsContact CB-CD1 3.47Å; S2338-E2577 WeakPolarHBondContact CB-OE2 3.36Å; S2338-E2577 PolarHBondContact N-OE2 3.18Å; S2338-E2577 PolarHBondContact OG-OE2 2.99Å
2339	T	55.4	Low	61.6	Low	48 Å²	48	42.6 Å²	42.6	29%	0.294	25%	0.249	S	C	.	.			trans	-72.3	109.7	-177.7	62.7	0	0	0	0	111.3	D2337 P2341 I2344 E2577	D2337-T2339 PolarHBondContact O-N 2.88Å; D2337-T2339 WeakPolarHBondContact OD1-CA 3.3Å; D2337-T2339 VanDerWaalsContact OD1-CB 3.27Å; D2337-T2339 WeakPolarHBondContact OD1-CB 3.4Å; D2337-T2339 WeakPolarHBondContact OD1-CG2 3.31Å; D2337-T2339 PolarHBondContact OD1-N 2.95Å; D2337-T2339 PolarHBondContact OD1-OG1 3.12Å; D2337-T2339 PolarHBondContact OD2-OG1 2.81Å; T2339-P2341 VanDerWaalsContact O-CD 3.24Å; T2339-P2341 WeakPolarHBondContact O-CD 3.28Å; T2339-P2341 VanDerWaalsContact O-N 3.11Å; T2339-I2344 HydrophobicContact CG2-CD1 4.24Å; T2339-I2344 VanDerWaalsContact OG1-CD1 3.25Å; T2339-I2344 WeakPolarHBondContact OG1-CD1 3.43Å; T2339-E2577 WeakPolarHBondContact CG2-OE1 3.25Å; T2339-E2577 PolarHBondContact N-OE2 2.9Å
2340	D	52.1	Low	58.7	Low	36 Å²	36	49.6 Å²	49.6	19%	0.193	28%	0.28	C	S	.	.			trans	-63.8	116.4	168.5	-173.3	-16.3	0	0	0	107.9	S2338 V2342 T2343 I2344 R2389 R2450	S2338-D2340 VanDerWaalsContact C-N 3.26Å; S2338-D2340 PolarHBondContact O-N 2.95Å; D2340-V2342 PolarHBondContact O-N 3.23Å; D2340-V2342 VanDerWaalsContact O-N 3.07Å; D2340-V2342 VanDerWaalsContact OD1-CB 3.25Å; D2340-V2342 WeakPolarHBondContact OD1-CB 3.37Å; D2340-V2342 VanDerWaalsContact OD1-CG2 3.3Å; D2340-V2342 WeakPolarHBondContact OD1-CG2 3.23Å; D2340-V2342 PolarHBondContact OD1-N 3.08Å; D2340-T2343 HydrophobicContact CB-CG2 4.17Å; D2340-T2343 WeakPolarHBondContact CB-OG1 3.27Å; D2340-T2343 PolarHBondContact N-OG1 2.83Å; D2340-T2343 CarbonylContact O-C 3.51Å; D2340-T2343 WeakPolarHBondContact O-CA 3.43Å; D2340-T2343 WeakPolarHBondContact O-CB 3.32Å; D2340-T2343 PolarHBondContact O-N 2.92Å; D2340-T2343 PolarHBondContact O-OG1 3Å; D2340-I2344 PolarHBondContact O-N 3.19Å; D2340-R2389 IonicContact OD2-CZ 3.17Å; D2340-R2389 IonicContact OD2-NH1 3.24Å; D2340-R2389 PolarHBondContact OD2-NH1 2.87Å; D2340-R2389 IonicContact OD2-NH2 2.75Å; D2340-R2389 PolarHBondContact OD2-NH2 3.19Å; D2340-R2450 VanDerWaalsContact CG-NH2 3.34Å; D2340-R2450 IonicContact OD1-NH2 3.83Å; D2340-R2450 PolarHBondContact OD1-NH2 3.19Å; D2340-R2450 IonicContact OD2-CZ 3.69Å; D2340-R2450 IonicContact OD2-NH1 3.87Å; D2340-R2450 IonicContact OD2-NH2 3.12Å; D2340-R2450 PolarHBondContact OD2-NH2 3.05Å; D2340-R2450 VanDerWaalsContact OD2-NH2 3.14Å
2341	P	49.5	Very low	55.8	Low	43 Å²	43	53.7 Å²	53.7	28%	0.279	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-58.4	-20.3	-179.5	21.1	-31.9	0	0	0	113	T2339 T2343 I2344 G2345 T2346 H2364 I2507 L2538	T2339-P2341 VanDerWaalsContact O-CD 3.24Å; T2339-P2341 WeakPolarHBondContact O-CD 3.28Å; T2339-P2341 VanDerWaalsContact O-N 3.11Å; P2341-T2343 VanDerWaalsContact C-N 3.29Å; P2341-T2343 PolarHBondContact O-N 3.06Å; P2341-I2344 PolarHBondContact O-N 3.1Å; P2341-G2345 CarbonylContact O-C 3.54Å; P2341-G2345 VanDerWaalsContact O-CA 3.26Å; P2341-G2345 WeakPolarHBondContact O-CA 3.33Å; P2341-G2345 PolarHBondContact O-N 2.79Å; P2341-T2346 HydrophobicContact CB-CG2 3.43Å; P2341-T2346 VanDerWaalsContact CB-CG2 3.43Å; P2341-T2346 PolarHBondContact O-N 3.08Å; P2341-H2364 WeakPolarHBondContact CB-O 3.47Å; P2341-I2507 HydrophobicContact CB-CD1 4.04Å; P2341-I2507 HydrophobicContact CG-CD1 3.46Å; P2341-I2507 VanDerWaalsContact CG-CD1 3.43Å; P2341-I2507 HydrophobicContact CG-CG1 3.98Å; P2341-L2538 HydrophobicContact CG-CD1 4.09Å
2342	V	50.6	Low	53	Low	64.6 Å²	64.6	61.4 Å²	61.4	39%	0.392	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-65	-30.4	172.4	-175.9	0	0	0	0	111.9	D2340 I2344 G2345 L2378 F2379 I2507	D2340-V2342 PolarHBondContact O-N 3.23Å; D2340-V2342 VanDerWaalsContact O-N 3.07Å; D2340-V2342 VanDerWaalsContact OD1-CB 3.25Å; D2340-V2342 WeakPolarHBondContact OD1-CB 3.37Å; D2340-V2342 VanDerWaalsContact OD1-CG2 3.3Å; D2340-V2342 WeakPolarHBondContact OD1-CG2 3.23Å; D2340-V2342 PolarHBondContact OD1-N 3.08Å; V2342-I2344 PolarHBondContact O-N 3.48Å; V2342-G2345 PolarHBondContact O-N 3.44Å; V2342-L2378 HydrophobicContact CB-CD1 4.33Å; V2342-L2378 HydrophobicContact CG1-CD1 4.1Å; V2342-L2378 HydrophobicContact CG2-CB 4.05Å; V2342-L2378 HydrophobicContact CG2-CD1 4.1Å; V2342-F2379 HydrophobicContact CG2-CD2 4.22Å; V2342-F2379 HydrophobicContact CG2-CE2 3.3Å; V2342-F2379 HydrophobicContact CG2-CZ 3.62Å; V2342-I2507 HydrophobicContact CG2-CD1 3.96Å
2343	T	44.8	Very low	50.2	Low	85.2 Å²	85.2	70.5 Å²	70.5	52%	0.523	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-80.5	-20.3	179.6	57.6	0	0	0	0	114	S2338 D2340 P2341 G2345	S2338-T2343 PolarHBondContact O-OG1 2.78Å; D2340-T2343 HydrophobicContact CB-CG2 4.17Å; D2340-T2343 WeakPolarHBondContact CB-OG1 3.27Å; D2340-T2343 PolarHBondContact N-OG1 2.83Å; D2340-T2343 CarbonylContact O-C 3.51Å; D2340-T2343 WeakPolarHBondContact O-CA 3.43Å; D2340-T2343 WeakPolarHBondContact O-CB 3.32Å; D2340-T2343 PolarHBondContact O-N 2.92Å; D2340-T2343 PolarHBondContact O-OG1 3Å; P2341-T2343 VanDerWaalsContact C-N 3.29Å; P2341-T2343 PolarHBondContact O-N 3.06Å; T2343-G2345 PolarHBondContact O-N 3.03Å
2344	I	42.7	Very low	47.4	Very low	71.2 Å²	71.2	76.7 Å²	76.7	37%	0.365	41%	0.411	S	S	.	.	S	Bend	trans	-89.4	-1.3	177.8	-63.3	170.4	0	0	0	110.7	T2339 D2340 P2341 V2342 T2346 F2367 P2368 R2389	T2339-I2344 HydrophobicContact CG2-CD1 4.24Å; T2339-I2344 VanDerWaalsContact OG1-CD1 3.25Å; T2339-I2344 WeakPolarHBondContact OG1-CD1 3.43Å; D2340-I2344 PolarHBondContact O-N 3.19Å; P2341-I2344 PolarHBondContact O-N 3.1Å; V2342-I2344 PolarHBondContact O-N 3.48Å; I2344-T2346 PolarHBondContact O-N 2.88Å; I2344-F2367 HydrophobicContact CD1-CD1 3.86Å; I2344-F2367 HydrophobicContact CD1-CE1 3.56Å; I2344-F2367 HydrophobicContact CD1-CZ 4.03Å; I2344-F2367 HydrophobicContact CG1-CE1 4.42Å; I2344-F2367 HydrophobicContact CG2-CD1 4.03Å; I2344-P2368 VanDerWaalsContact CG2-CD 3.48Å; I2344-P2368 HydrophobicContact CG2-CG 3.79Å; I2344-R2389 VanDerWaalsContact CD1-NH2 3.27Å
2345	G	38	Very low	44.7	Very low	31.8 Å²	31.8	83.5 Å²	83.5	33%	0.328	45%	0.448	S	S	.	.			trans	-47.4	123	-179.2	0	0	0	0	0	112.3	P2341 V2342 T2343 S2349	P2341-G2345 CarbonylContact O-C 3.54Å; P2341-G2345 VanDerWaalsContact O-CA 3.26Å; P2341-G2345 WeakPolarHBondContact O-CA 3.33Å; P2341-G2345 PolarHBondContact O-N 2.79Å; V2342-G2345 PolarHBondContact O-N 3.44Å; T2343-G2345 PolarHBondContact O-N 3.03Å; G2345-S2349 WeakPolarHBondContact CA-OG 3.47Å; G2345-S2349 PolarHBondContact O-OG 3.03Å
2346	T	35.7	Very low	42.7	Very low	80 Å²	80	88.5 Å²	88.5	49%	0.491	48%	0.481	S	S	.	.			trans	-56.9	152.7	169.9	53	0	0	0	0	111.5	P2341 I2344 N2348 S2349 K2350 L2366	P2341-T2346 HydrophobicContact CB-CG2 3.43Å; P2341-T2346 VanDerWaalsContact CB-CG2 3.43Å; P2341-T2346 PolarHBondContact O-N 3.08Å; I2344-T2346 PolarHBondContact O-N 2.88Å; T2346-N2348 PolarHBondContact O-N 3.13Å; T2346-N2348 VanDerWaalsContact O-N 3.08Å; T2346-S2349 PolarHBondContact N-OG 3.05Å; T2346-S2349 WeakPolarHBondContact O-CA 3.33Å; T2346-S2349 VanDerWaalsContact O-CB 3.25Å; T2346-S2349 WeakPolarHBondContact O-CB 3.32Å; T2346-S2349 PolarHBondContact O-N 2.92Å; T2346-S2349 PolarHBondContact O-OG 3.06Å; T2346-S2349 VanDerWaalsContact O-OG 3.11Å; T2346-S2349 WeakPolarHBondContact OG1-CB 3.05Å; T2346-S2349 PolarHBondContact OG1-N 3.01Å; T2346-S2349 PolarHBondContact OG1-OG 2.8Å; T2346-K2350 PolarHBondContact O-N 3.43Å; T2346-L2366 HydrophobicContact CG2-CB 4.42Å; T2346-L2366 HydrophobicContact CG2-CD2 3.53Å; T2346-L2366 HydrophobicContact CG2-CG 3.86Å
2347	E	37.8	Very low	41	Very low	161.4 Å²	161.4	92.4 Å²	92.4	75%	0.754	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-21.5	177.5	-63.8	-169.5	136.3	0	0	113.6	S2349 K2350	E2347-S2349 PolarHBondContact O-N 3.01Å; E2347-K2350 VanDerWaalsContact O-CB 3.24Å; E2347-K2350 WeakPolarHBondContact O-CB 3.49Å; E2347-K2350 PolarHBondContact O-N 3.08Å; E2347-K2350 IonicContact OE1-NZ 3.13Å; E2347-K2350 PolarHBondContact OE1-NZ 2.78Å
2348	N	38.4	Very low	39.7	Very low	132.2 Å²	132.2	97.5 Å²	97.5	71%	0.707	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.2	174.4	-66	-4.4	0	0	0	113.8	T2346 K2350 S2351	T2346-N2348 PolarHBondContact O-N 3.13Å; T2346-N2348 VanDerWaalsContact O-N 3.08Å; N2348-K2350 VanDerWaalsContact C-N 3.29Å; N2348-K2350 PolarHBondContact O-N 2.85Å; N2348-S2351 WeakPolarHBondContact O-CB 3.32Å; N2348-S2351 PolarHBondContact O-N 2.83Å; N2348-S2351 PolarHBondContact O-OG 3.13Å
2349	S	36.8	Very low	38.4	Very low	44.2 Å²	44.2	103.9 Å²	103.9	31%	0.309	56%	0.562	S	S	.	*	H	α-helix	trans	-79	-13.8	174.8	66.2	0	0	0	0	113.8	G2345 T2346 E2347 S2351 F2352	G2345-S2349 WeakPolarHBondContact CA-OG 3.47Å; G2345-S2349 PolarHBondContact O-OG 3.03Å; T2346-S2349 PolarHBondContact N-OG 3.05Å; T2346-S2349 WeakPolarHBondContact O-CA 3.33Å; T2346-S2349 VanDerWaalsContact O-CB 3.25Å; T2346-S2349 WeakPolarHBondContact O-CB 3.32Å; T2346-S2349 PolarHBondContact O-N 2.92Å; T2346-S2349 PolarHBondContact O-OG 3.06Å; T2346-S2349 VanDerWaalsContact O-OG 3.11Å; T2346-S2349 WeakPolarHBondContact OG1-CB 3.05Å; T2346-S2349 PolarHBondContact OG1-N 3.01Å; T2346-S2349 PolarHBondContact OG1-OG 2.8Å; E2347-S2349 PolarHBondContact O-N 3.01Å; S2349-S2351 PolarHBondContact O-N 2.9Å; S2349-F2352 WeakPolarHBondContact O-CB 3.43Å; S2349-F2352 PolarHBondContact O-N 3.2Å
2350	K	32.9	Very low	37.3	Very low	148.2 Å²	148.2	106.7 Å²	106.7	64%	0.644	58%	0.582	S	S	*	*	H	α-helix	trans	-70.7	-14.9	171	-69.3	-178.9	179	171.8	0	113.1	T2346 E2347 N2348 F2352 Y2353 N2354	T2346-K2350 PolarHBondContact O-N 3.43Å; E2347-K2350 VanDerWaalsContact O-CB 3.24Å; E2347-K2350 WeakPolarHBondContact O-CB 3.49Å; E2347-K2350 PolarHBondContact O-N 3.08Å; E2347-K2350 IonicContact OE1-NZ 3.13Å; E2347-K2350 PolarHBondContact OE1-NZ 2.78Å; N2348-K2350 VanDerWaalsContact C-N 3.29Å; N2348-K2350 PolarHBondContact O-N 2.85Å; K2350-F2352 VanDerWaalsContact C-N 3.32Å; K2350-F2352 PolarHBondContact O-N 2.96Å; K2350-F2352 VanDerWaalsContact O-N 3.08Å; K2350-Y2353 PolarHBondContact O-N 2.88Å; K2350-N2354 PolarHBondContact O-N 3Å; K2350-N2354 VanDerWaalsContact O-N 3.16Å
2351	S	34.2	Very low	36.4	Very low	86.4 Å²	86.4	109.8 Å²	109.8	60%	0.604	60%	0.604	S	S	*	*	H	α-helix	trans	-77	-3.6	176	77.8	0	0	0	0	113.5	N2348 S2349 Y2353 N2354	N2348-S2351 WeakPolarHBondContact O-CB 3.32Å; N2348-S2351 PolarHBondContact O-N 2.83Å; N2348-S2351 PolarHBondContact O-OG 3.13Å; S2349-S2351 PolarHBondContact O-N 2.9Å; S2351-Y2353 VanDerWaalsContact C-N 3.29Å; S2351-Y2353 PolarHBondContact O-N 3.31Å; S2351-N2354 PolarHBondContact O-N 3.03Å; S2351-N2354 VanDerWaalsContact O-N 3.14Å
2352	F	34.6	Very low	35.5	Very low	164.4 Å²	164.4	115.5 Å²	115.5	72%	0.721	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-79.4	-4.9	177.9	-97	-82.9	0	0	0	113.7	S2349 K2350 N2354 P2361	S2349-F2352 WeakPolarHBondContact O-CB 3.43Å; S2349-F2352 PolarHBondContact O-N 3.2Å; K2350-F2352 VanDerWaalsContact C-N 3.32Å; K2350-F2352 PolarHBondContact O-N 2.96Å; K2350-F2352 VanDerWaalsContact O-N 3.08Å; F2352-N2354 VanDerWaalsContact C-N 3.31Å; F2352-N2354 PolarHBondContact O-N 2.85Å; F2352-N2354 VanDerWaalsContact O-N 3.17Å; F2352-P2361 HydrophobicContact CE2-CB 4.2Å; F2352-P2361 HydrophobicContact CE2-CG 4.4Å; F2352-P2361 HydrophobicContact CZ-CB 4Å; F2352-P2361 HydrophobicContact CZ-CG 3.95Å
2353	Y	33.8	Very low	34.7	Very low	190.2 Å²	190.2	118.9 Å²	118.9	75%	0.746	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-93.2	-0.9	175	-79.6	-74.4	0	0	0	113.8	K2350 S2351	K2350-Y2353 PolarHBondContact O-N 2.88Å; S2351-Y2353 VanDerWaalsContact C-N 3.29Å; S2351-Y2353 PolarHBondContact O-N 3.31Å
2354	N	30.7	Very low	34.1	Very low	135.4 Å²	135.4	122.5 Å²	122.5	72%	0.724	65%	0.649	S	S	*	*	S	Bend	trans	-112.7	32.6	-178.4	-73.2	-7.5	0	0	0	115.4	K2350 S2351 F2352 P2356	K2350-N2354 PolarHBondContact O-N 3Å; K2350-N2354 VanDerWaalsContact O-N 3.16Å; S2351-N2354 PolarHBondContact O-N 3.03Å; S2351-N2354 VanDerWaalsContact O-N 3.14Å; F2352-N2354 VanDerWaalsContact C-N 3.31Å; F2352-N2354 PolarHBondContact O-N 2.85Å; F2352-N2354 VanDerWaalsContact O-N 3.17Å; N2354-P2356 VanDerWaalsContact O-CD 3.23Å; N2354-P2356 WeakPolarHBondContact O-CD 3.43Å
2355	N	30.2	Very low	33.7	Very low	144 Å²	144	122.7 Å²	122.7	77%	0.77	66%	0.657	S	S	*	*			trans	-152.2	96.9	154	-93.1	-23.6	0	0	0	111.4	S2357	N2355-S2357 VanDerWaalsContact C-N 3.26Å; N2355-S2357 PolarHBondContact O-N 3.04Å; N2355-S2357 PolarHBondContact OD1-OG 3.07Å
2356	P	34.4	Very low	33.6	Very low	118.6 Å²	118.6	126.9 Å²	126.9	77%	0.77	67%	0.671	S	S	*	*			trans	-76.4	98.5	158.8	30.2	-26.1	0	0	0	108.4	N2354 T2358	N2354-P2356 VanDerWaalsContact O-CD 3.23Å; N2354-P2356 WeakPolarHBondContact O-CD 3.43Å; P2356-T2358 VanDerWaalsContact C-N 3.33Å; P2356-T2358 PolarHBondContact O-N 2.86Å
2357	S	30.4	Very low	33.5	Very low	89 Å²	89	130.4 Å²	130.4	62%	0.622	68%	0.679	S	S	*	*			trans	-73	126.3	173.5	47	0	0	0	0	111.3	N2355 F2359	N2355-S2357 VanDerWaalsContact C-N 3.26Å; N2355-S2357 PolarHBondContact O-N 3.04Å; N2355-S2357 PolarHBondContact OD1-OG 3.07Å; S2357-F2359 PolarHBondContact O-N 2.86Å; S2357-F2359 VanDerWaalsContact O-N 3.12Å
2358	T	33.8	Very low	33.2	Very low	129.6 Å²	129.6	128 Å²	128	80%	0.795	68%	0.678	S	S	*	*	S	Bend	trans	-52.3	54.1	171	24.9	0	0	0	0	114.7	P2356 P2360	P2356-T2358 VanDerWaalsContact C-N 3.33Å; P2356-T2358 PolarHBondContact O-N 2.86Å; T2358-P2360 WeakPolarHBondContact O-CD 3.38Å
2359	F	29.1	Very low	32.8	Very low	177.6 Å²	177.6	128.5 Å²	128.5	78%	0.779	68%	0.68	S	S	*	*	S	Bend	trans	-115.2	129.4	163	-74.5	-78.9	0	0	0	109.9	S2357	S2357-F2359 PolarHBondContact O-N 2.86Å; S2357-F2359 VanDerWaalsContact O-N 3.12Å
2360	P	31.8	Very low	32.6	Very low	107.2 Å²	107.2	131.8 Å²	131.8	70%	0.696	70%	0.701	S	S	*	*			trans	-77	150.2	157.4	24.7	-23	0	0	0	109.6	T2358 E2362	T2358-P2360 WeakPolarHBondContact O-CD 3.38Å; P2360-E2362 PolarHBondContact O-N 3.01Å; P2360-E2362 VanDerWaalsContact O-N 3.14Å
2361	P	34.1	Very low	32.4	Very low	101.2 Å²	101.2	132.8 Å²	132.8	66%	0.657	71%	0.707	S	S	*	*			trans	-80.2	129.8	-171	28.5	-29	0	0	0	111.7	F2352 Q2363	F2352-P2361 HydrophobicContact CE2-CB 4.2Å; F2352-P2361 HydrophobicContact CE2-CG 4.4Å; F2352-P2361 HydrophobicContact CZ-CB 4Å; F2352-P2361 HydrophobicContact CZ-CG 3.95Å; P2361-Q2363 VanDerWaalsContact C-N 3.34Å; P2361-Q2363 HydrophobicContact CB-CG 4.29Å; P2361-Q2363 PolarHBondContact O-N 2.89Å
2362	E	31.5	Very low	32.2	Very low	162.2 Å²	162.2	133.5 Å²	133.5	76%	0.758	71%	0.71	S	S	*	*			trans	-65.9	107.4	167.5	-73.3	-170.8	179.4	0	0	112.9	P2360 H2364 S2365	P2360-E2362 PolarHBondContact O-N 3.01Å; P2360-E2362 VanDerWaalsContact O-N 3.14Å; E2362-H2364 PolarHBondContact O-N 2.82Å; E2362-H2364 VanDerWaalsContact O-N 3.11Å; E2362-H2364 IonicContact OE2-CE1 3.93Å; E2362-S2365 PolarHBondContact O-N 2.9Å
2363	Q	33.4	Very low	32	Very low	137 Å²	137	132.6 Å²	132.6	64%	0.64	71%	0.712	S	S	*	*			trans	-83.3	83.4	169	-74.2	-179.6	-1.2	0	0	113.4	P2361 S2365 K2502 H2503	P2361-Q2363 VanDerWaalsContact C-N 3.34Å; P2361-Q2363 HydrophobicContact CB-CG 4.29Å; P2361-Q2363 PolarHBondContact O-N 2.89Å; Q2363-S2365 PolarHBondContact O-N 3.08Å; Q2363-K2502 PolarHBondContact O-NZ 3.47Å; Q2363-H2503 PolarHBondContact O-CD2 2.88Å; Q2363-H2503 VanDerWaalsContact O-CD2 3.29Å
2364	H	32.6	Very low	31.8	Very low	160.2 Å²	160.2	129.2 Å²	129.2	74%	0.742	72%	0.716	S	S	*	*			trans	-61.1	97.7	170.5	-61.6	-65.7	0	0	0	114.1	P2341 E2362 L2366	P2341-H2364 WeakPolarHBondContact CB-O 3.47Å; E2362-H2364 PolarHBondContact O-N 2.82Å; E2362-H2364 VanDerWaalsContact O-N 3.11Å; E2362-H2364 IonicContact OE2-CE1 3.93Å; H2364-L2366 PolarHBondContact O-N 3.46Å
2365	S	33.5	Very low	31.8	Very low	76 Å²	76	125.5 Å²	125.5	53%	0.531	71%	0.709	S	S	.	*			trans	-77.2	125.1	168.2	167.3	0	0	0	0	111.2	E2362 Q2363 F2367	E2362-S2365 PolarHBondContact O-N 2.9Å; Q2363-S2365 PolarHBondContact O-N 3.08Å; S2365-F2367 VanDerWaalsContact C-N 3.26Å; S2365-F2367 PolarHBondContact O-N 2.92Å; S2365-F2367 VanDerWaalsContact O-N 3.13Å; S2365-F2367 PolarHBondContact OG-N 2.95Å
2366	L	36.8	Very low	31.8	Very low	119.2 Å²	119.2	126.5 Å²	126.5	62%	0.624	71%	0.71	S	S	*	*	S	Bend	trans	-64	41.4	174.5	-82.5	149.9	0	0	0	113.8	T2346 H2364 R2389 E2577	T2346-L2366 HydrophobicContact CG2-CB 4.42Å; T2346-L2366 HydrophobicContact CG2-CD2 3.53Å; T2346-L2366 HydrophobicContact CG2-CG 3.86Å; H2364-L2366 PolarHBondContact O-N 3.46Å; L2366-R2389 HydrophobicContact CB-CG 4.48Å; L2366-R2389 HydrophobicContact CD1-CB 3.79Å; L2366-R2389 HydrophobicContact CD1-CG 4.11Å; L2366-R2389 PolarHBondContact O-NH1 2.99Å; L2366-R2389 PolarHBondContact O-NH2 3.18Å; L2366-E2577 HydrophobicContact CD2-CG 3.98Å; L2366-E2577 WeakPolarHBondContact CD2-OE1 3.45Å
2367	F	32.1	Very low	31.6	Very low	153.4 Å²	153.4	126.8 Å²	126.8	67%	0.673	70%	0.703	S	S	*	*	S	Bend	trans	-123.8	126.5	175.7	-61.9	-76.6	0	0	0	112.4	I2344 S2365 L2369	I2344-F2367 HydrophobicContact CD1-CD1 3.86Å; I2344-F2367 HydrophobicContact CD1-CE1 3.56Å; I2344-F2367 HydrophobicContact CD1-CZ 4.03Å; I2344-F2367 HydrophobicContact CG1-CE1 4.42Å; I2344-F2367 HydrophobicContact CG2-CD1 4.03Å; S2365-F2367 VanDerWaalsContact C-N 3.26Å; S2365-F2367 PolarHBondContact O-N 2.92Å; S2365-F2367 VanDerWaalsContact O-N 3.13Å; S2365-F2367 PolarHBondContact OG-N 2.95Å; F2367-L2369 PolarHBondContact O-N 3.07Å; F2367-L2369 VanDerWaalsContact O-N 3.12Å
2368	P	31.7	Very low	31.5	Very low	112.4 Å²	112.4	129 Å²	129	73%	0.73	71%	0.708	S	S	*	*			trans	-61	131.3	170.3	17.6	-19	0	0	0	108.4	I2344 P2370	I2344-P2368 VanDerWaalsContact CG2-CD 3.48Å; I2344-P2368 HydrophobicContact CG2-CG 3.79Å; P2368-P2370 WeakPolarHBondContact O-CD 3.12Å
2369	L	31.1	Very low	31.4	Very low	142.6 Å²	142.6	129.6 Å²	129.6	75%	0.747	70%	0.699	S	S	*	*			trans	-49.4	134.8	164.8	-76.9	153.8	0	0	0	108	F2367 Q2371 Y2501	F2367-L2369 PolarHBondContact O-N 3.07Å; F2367-L2369 VanDerWaalsContact O-N 3.12Å; L2369-Q2371 VanDerWaalsContact C-N 3.34Å; L2369-Q2371 PolarHBondContact O-N 2.97Å; L2369-Q2371 VanDerWaalsContact O-N 3.13Å; L2369-Y2501 HydrophobicContact CD1-CE1 4.28Å
2370	P	30.9	Very low	31.5	Very low	113.8 Å²	113.8	128.6 Å²	128.6	74%	0.739	70%	0.702	S	S	*	*			trans	-56.6	115.6	173.5	8.1	-8.4	0	0	0	107.3	P2368 P2372	P2368-P2370 WeakPolarHBondContact O-CD 3.12Å; P2370-P2372 WeakPolarHBondContact O-CD 3.3Å; P2370-P2372 VanDerWaalsContact O-N 3.12Å
2371	Q	29.3	Very low	31.7	Very low	168.2 Å²	168.2	126.4 Å²	126.4	79%	0.786	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-56.5	123.8	173.8	-73.6	-179.1	-12.7	0	0	106.9	L2369 L2373	L2369-Q2371 VanDerWaalsContact C-N 3.34Å; L2369-Q2371 PolarHBondContact O-N 2.97Å; L2369-Q2371 VanDerWaalsContact O-N 3.13Å; Q2371-L2373 VanDerWaalsContact C-N 3.3Å; Q2371-L2373 PolarHBondContact O-N 3.08Å; Q2371-L2373 VanDerWaalsContact O-N 3.15Å
2372	P	31.3	Very low	31.9	Very low	101.8 Å²	101.8	129.7 Å²	129.7	66%	0.661	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-58.7	124.4	172.3	23.9	-30.7	0	0	0	106.8	P2370 S2374	P2370-P2372 WeakPolarHBondContact O-CD 3.3Å; P2370-P2372 VanDerWaalsContact O-N 3.12Å; P2372-S2374 VanDerWaalsContact C-N 3.32Å; P2372-S2374 PolarHBondContact O-N 3Å; P2372-S2374 VanDerWaalsContact O-N 3.13Å
2373	L	28.9	Very low	32.4	Very low	145.2 Å²	145.2	126.8 Å²	126.8	76%	0.76	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-51.1	122.7	176	-84.1	96.2	0	0	0	108.3	Q2371 G2375 Y2793	Q2371-L2373 VanDerWaalsContact C-N 3.3Å; Q2371-L2373 PolarHBondContact O-N 3.08Å; Q2371-L2373 VanDerWaalsContact O-N 3.15Å; L2373-G2375 PolarHBondContact O-N 3.16Å; L2373-Y2793 VanDerWaalsContact CD2-O 3.25Å; L2373-Y2793 WeakPolarHBondContact CD2-O 3.45Å
2374	S	30.3	Very low	33	Very low	117.6 Å²	117.6	122.9 Å²	122.9	82%	0.822	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	108.5	179.6	-34	0	0	0	0	110	P2372	P2372-S2374 VanDerWaalsContact C-N 3.32Å; P2372-S2374 PolarHBondContact O-N 3Å; P2372-S2374 VanDerWaalsContact O-N 3.13Å
2375	G	31.4	Very low	33.6	Very low	57.8 Å²	57.8	118.9 Å²	118.9	60%	0.596	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	145.1	27.2	178.5	0	0	0	0	0	116.5	L2373 I2377	L2373-G2375 PolarHBondContact O-N 3.16Å; G2375-I2377 VanDerWaalsContact C-N 3.32Å; G2375-I2377 WeakPolarHBondContact O-CD1 3.49Å; G2375-I2377 WeakPolarHBondContact O-CG1 3Å; G2375-I2377 PolarHBondContact O-N 3.04Å; G2375-I2377 VanDerWaalsContact O-N 3.13Å
2376	H	29.2	Very low	34.4	Very low	166.8 Å²	166.8	118.8 Å²	118.8	77%	0.772	66%	0.655	S	S	*	*			trans	-68.8	97.2	168.3	-85	-73	0	0	0	112.7	L2378	H2376-L2378 PolarHBondContact O-N 3.22Å
2377	I	29.5	Very low	35.2	Very low	124 Å²	124	117.9 Å²	117.9	64%	0.636	65%	0.646	S	S	*	*			trans	-95.6	129.8	175.5	-59.9	155.7	0	0	0	108	G2375 F2379	G2375-I2377 VanDerWaalsContact C-N 3.32Å; G2375-I2377 WeakPolarHBondContact O-CD1 3.49Å; G2375-I2377 WeakPolarHBondContact O-CG1 3Å; G2375-I2377 PolarHBondContact O-N 3.04Å; G2375-I2377 VanDerWaalsContact O-N 3.13Å; I2377-F2379 HydrophobicContact CB-CD2 3.87Å; I2377-F2379 HydrophobicContact CB-CE2 3.98Å; I2377-F2379 HydrophobicContact CD1-CD2 4.5Å; I2377-F2379 HydrophobicContact CD1-CE2 3.92Å; I2377-F2379 HydrophobicContact CG1-CE2 4.47Å; I2377-F2379 HydrophobicContact CG2-CD1 4.18Å; I2377-F2379 HydrophobicContact CG2-CD2 3.43Å; I2377-F2379 VanDerWaalsContact CG2-CD2 3.43Å; I2377-F2379 HydrophobicContact CG2-CE1 4.15Å; I2377-F2379 HydrophobicContact CG2-CE2 3.43Å; I2377-F2379 VanDerWaalsContact CG2-CE2 3.43Å; I2377-F2379 HydrophobicContact CG2-CG 3.83Å; I2377-F2379 HydrophobicContact CG2-CZ 3.79Å; I2377-F2379 PolarHBondContact O-N 3.05Å; I2377-F2379 VanDerWaalsContact O-N 3.12Å
2378	L	28.9	Very low	36.2	Very low	136.2 Å²	136.2	111.3 Å²	111.3	71%	0.713	62%	0.62	S	S	*	*			trans	34.7	89.7	171.3	-68.3	154.3	0	0	0	114	V2342 H2376 N2380	V2342-L2378 HydrophobicContact CB-CD1 4.33Å; V2342-L2378 HydrophobicContact CG1-CD1 4.1Å; V2342-L2378 HydrophobicContact CG2-CB 4.05Å; V2342-L2378 HydrophobicContact CG2-CD1 4.1Å; H2376-L2378 PolarHBondContact O-N 3.22Å; L2378-N2380 PolarHBondContact O-N 2.91Å
2379	F	32.4	Very low	37.7	Very low	141.4 Å²	141.4	109.5 Å²	109.5	62%	0.62	60%	0.599	S	S	*	*			trans	-147.1	107.5	145.5	-80.1	-60.7	0	0	0	110.2	V2342 I2377 G2381 I2776 V2779	V2342-F2379 HydrophobicContact CG2-CD2 4.22Å; V2342-F2379 HydrophobicContact CG2-CE2 3.3Å; V2342-F2379 HydrophobicContact CG2-CZ 3.62Å; I2377-F2379 HydrophobicContact CB-CD2 3.87Å; I2377-F2379 HydrophobicContact CB-CE2 3.98Å; I2377-F2379 HydrophobicContact CD1-CD2 4.5Å; I2377-F2379 HydrophobicContact CD1-CE2 3.92Å; I2377-F2379 HydrophobicContact CG1-CE2 4.47Å; I2377-F2379 HydrophobicContact CG2-CD1 4.18Å; I2377-F2379 HydrophobicContact CG2-CD2 3.43Å; I2377-F2379 VanDerWaalsContact CG2-CD2 3.43Å; I2377-F2379 HydrophobicContact CG2-CE1 4.15Å; I2377-F2379 HydrophobicContact CG2-CE2 3.43Å; I2377-F2379 VanDerWaalsContact CG2-CE2 3.43Å; I2377-F2379 HydrophobicContact CG2-CG 3.83Å; I2377-F2379 HydrophobicContact CG2-CZ 3.79Å; I2377-F2379 PolarHBondContact O-N 3.05Å; I2377-F2379 VanDerWaalsContact O-N 3.12Å; F2379-G2381 PolarHBondContact O-N 2.94Å; F2379-I2776 HydrophobicContact CE1-CG2 3.79Å; F2379-I2776 HydrophobicContact CZ-CG2 4.04Å; F2379-V2779 HydrophobicContact CE2-CG2 4.19Å
2380	N	31.2	Very low	39.7	Very low	157 Å²	157	104 Å²	104	84%	0.84	57%	0.572	S	S	*	*			trans	-78.2	65.7	170.1	-81.4	-8.7	0	0	0	111.2	L2378	L2378-N2380 PolarHBondContact O-N 2.91Å
2381	G	35.6	Very low	42	Very low	61 Å²	61	98.7 Å²	98.7	63%	0.629	54%	0.538	S	S	*	.			trans	-132.4	15.6	179.5	0	0	0	0	0	116.8	F2379 L2383	F2379-G2381 PolarHBondContact O-N 2.94Å; G2381-L2383 VanDerWaalsContact C-N 3.3Å; G2381-L2383 PolarHBondContact O-N 2.99Å; G2381-L2383 VanDerWaalsContact O-N 3.13Å
2382	K	39.3	Very low	44.6	Very low	170.2 Å²	170.2	91.8 Å²	91.8	74%	0.74	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	38.1	178.6	-75.3	-173.7	176.2	-179.4	0	115.4	S2384	K2382-S2384 VanDerWaalsContact C-N 3.31Å; K2382-S2384 PolarHBondContact O-N 2.9Å; K2382-S2384 VanDerWaalsContact O-N 3.17Å
2383	L	41.5	Very low	47.1	Very low	100.2 Å²	100.2	92.6 Å²	92.6	53%	0.525	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-64.5	-8.4	-178.3	-110.2	93.6	0	0	0	114.1	G2381 N2385 E2386 F2387 Y2501	G2381-L2383 VanDerWaalsContact C-N 3.3Å; G2381-L2383 PolarHBondContact O-N 2.99Å; G2381-L2383 VanDerWaalsContact O-N 3.13Å; L2383-N2385 VanDerWaalsContact C-N 3.31Å; L2383-N2385 PolarHBondContact O-N 3.07Å; L2383-N2385 VanDerWaalsContact O-N 3.15Å; L2383-E2386 PolarHBondContact O-N 3.38Å; L2383-F2387 HydrophobicContact CB-CE2 3.99Å; L2383-F2387 HydrophobicContact CB-CZ 4.25Å; L2383-F2387 HydrophobicContact CD1-CE2 4.49Å; L2383-F2387 HydrophobicContact CD2-CE2 3.93Å; L2383-F2387 HydrophobicContact CD2-CZ 3.93Å; L2383-F2387 HydrophobicContact CG-CD2 3.99Å; L2383-F2387 HydrophobicContact CG-CE2 3.93Å; L2383-F2387 HydrophobicContact CG-CZ 4.06Å; L2383-F2387 WeakPolarHBondContact O-CD2 3.14Å; L2383-F2387 VanDerWaalsContact O-CE2 3.25Å; L2383-F2387 WeakPolarHBondContact O-CE2 3.41Å; L2383-Y2501 HydrophobicContact CD1-CE2 3.86Å
2384	S	44.6	Very low	49.7	Very low	56.2 Å²	56.2	90.7 Å²	90.7	39%	0.393	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-70.6	-20.9	-167	58.2	0	0	0	0	114.8	K2382 E2386 F2387 N2666	K2382-S2384 VanDerWaalsContact C-N 3.31Å; K2382-S2384 PolarHBondContact O-N 2.9Å; K2382-S2384 VanDerWaalsContact O-N 3.17Å; S2384-E2386 VanDerWaalsContact C-N 3.28Å; S2384-E2386 PolarHBondContact O-N 3.12Å; S2384-F2387 VanDerWaalsContact O-CD2 3.22Å; S2384-F2387 WeakPolarHBondContact O-CD2 3.07Å; S2384-F2387 PolarHBondContact O-N 2.91Å; S2384-N2666 PolarHBondContact O-ND2 3.12Å
2385	N	45.5	Very low	52.4	Low	76 Å²	76	85.5 Å²	85.5	41%	0.406	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-84.2	-10.3	-176.8	-71.8	-9.1	0	0	0	113.5	L2383 F2387 Y2501 F2668	L2383-N2385 VanDerWaalsContact C-N 3.31Å; L2383-N2385 PolarHBondContact O-N 3.07Å; L2383-N2385 VanDerWaalsContact O-N 3.15Å; N2385-F2387 PolarHBondContact O-N 3.3Å; N2385-Y2501 PolarHBondContact O-OH 3.16Å; N2385-F2668 HydrophobicContact CB-CE2 4.3Å; N2385-F2668 WeakPolarHBondContact OD1-CE2 3.38Å
2386	E	50.7	Low	54.9	Low	74.4 Å²	74.4	83.5 Å²	83.5	35%	0.348	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-83.7	-15.2	-176	-66.4	-173.1	173	0	0	113.5	L2383 S2384 A2388 R2389 T2500 Y2501	L2383-E2386 PolarHBondContact O-N 3.38Å; S2384-E2386 VanDerWaalsContact C-N 3.28Å; S2384-E2386 PolarHBondContact O-N 3.12Å; E2386-A2388 PolarHBondContact O-N 2.97Å; E2386-A2388 VanDerWaalsContact O-N 3.13Å; E2386-R2389 WeakPolarHBondContact O-CB 3.36Å; E2386-R2389 PolarHBondContact O-N 3.15Å; E2386-R2389 VanDerWaalsContact O-N 3.11Å; E2386-T2500 WeakPolarHBondContact CB-OG1 3.46Å; E2386-T2500 PolarHBondContact OE2-N 2.82Å; E2386-T2500 PolarHBondContact OE2-OG1 3.41Å; E2386-Y2501 VanDerWaalsContact CA-OH 3.32Å; E2386-Y2501 WeakPolarHBondContact CA-OH 3.36Å; E2386-Y2501 HydrophobicContact CB-CD2 4.31Å; E2386-Y2501 HydrophobicContact CB-CE1 4.5Å; E2386-Y2501 HydrophobicContact CB-CE2 3.71Å; E2386-Y2501 HydrophobicContact CG-CD2 4.15Å; E2386-Y2501 HydrophobicContact CG-CE2 3.58Å; E2386-Y2501 VanDerWaalsContact O-CE1 3.26Å; E2386-Y2501 WeakPolarHBondContact O-CE1 3.24Å; E2386-Y2501 PolarHBondContact O-OH 3.13Å; E2386-Y2501 WeakPolarHBondContact OE2-CB 3.38Å; E2386-Y2501 WeakPolarHBondContact OE2-CD2 3.42Å
2387	F	54.4	Low	57.5	Low	99.4 Å²	99.4	76.1 Å²	76.1	44%	0.436	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-71.2	-23.2	175.2	-70.1	-72	0	0	0	113.9	L2383 S2384 N2385 R2389 S2390 L2635	L2383-F2387 HydrophobicContact CB-CE2 3.99Å; L2383-F2387 HydrophobicContact CB-CZ 4.25Å; L2383-F2387 HydrophobicContact CD1-CE2 4.49Å; L2383-F2387 HydrophobicContact CD2-CE2 3.93Å; L2383-F2387 HydrophobicContact CD2-CZ 3.93Å; L2383-F2387 HydrophobicContact CG-CD2 3.99Å; L2383-F2387 HydrophobicContact CG-CE2 3.93Å; L2383-F2387 HydrophobicContact CG-CZ 4.06Å; L2383-F2387 WeakPolarHBondContact O-CD2 3.14Å; L2383-F2387 VanDerWaalsContact O-CE2 3.25Å; L2383-F2387 WeakPolarHBondContact O-CE2 3.41Å; S2384-F2387 VanDerWaalsContact O-CD2 3.22Å; S2384-F2387 WeakPolarHBondContact O-CD2 3.07Å; S2384-F2387 PolarHBondContact O-N 2.91Å; N2385-F2387 PolarHBondContact O-N 3.3Å; F2387-R2389 PolarHBondContact O-N 3.08Å; F2387-R2389 VanDerWaalsContact O-N 3.13Å; F2387-S2390 WeakPolarHBondContact O-CB 3.39Å; F2387-S2390 PolarHBondContact O-N 3.01Å; F2387-S2390 VanDerWaalsContact O-N 3.11Å; F2387-S2390 PolarHBondContact O-OG 3.12Å; F2387-L2635 HydrophobicContact CB-CD1 4.27Å; F2387-L2635 HydrophobicContact CB-CD2 4.5Å
2388	A	53.3	Low	59.5	Low	14.8 Å²	14.8	74.4 Å²	74.4	12%	0.122	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-67.9	-13.3	180	0	0	0	0	0	114.2	E2386 N2611 L2635 A2636 N2637	E2386-A2388 PolarHBondContact O-N 2.97Å; E2386-A2388 VanDerWaalsContact O-N 3.13Å; A2388-N2611 PolarHBondContact O-ND2 3.06Å; A2388-L2635 HydrophobicContact CB-CB 4.05Å; A2388-A2636 VanDerWaalsContact CB-C 3.41Å; A2388-A2636 WeakPolarHBondContact CB-O 3.44Å; A2388-N2637 HydrophobicContact CB-CB 4.15Å
2389	R	62.9	Low	61.3	Low	75 Å²	75	68.7 Å²	68.7	28%	0.283	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-111.7	0.2	177.6	-53.4	178.3	170.5	171.9	-7.4	113.8	D2337 D2340 I2344 L2366 E2386 F2387 Y2501	D2337-R2389 IonicContact OD1-NH2 2.64Å; D2337-R2389 IonicContact OD2-NE 3.77Å; D2340-R2389 IonicContact OD2-CZ 3.17Å; D2340-R2389 IonicContact OD2-NH1 3.24Å; D2340-R2389 PolarHBondContact OD2-NH1 2.87Å; D2340-R2389 IonicContact OD2-NH2 2.75Å; D2340-R2389 PolarHBondContact OD2-NH2 3.19Å; I2344-R2389 VanDerWaalsContact CD1-NH2 3.27Å; L2366-R2389 HydrophobicContact CB-CG 4.48Å; L2366-R2389 HydrophobicContact CD1-CB 3.79Å; L2366-R2389 HydrophobicContact CD1-CG 4.11Å; L2366-R2389 PolarHBondContact O-NH1 2.99Å; L2366-R2389 PolarHBondContact O-NH2 3.18Å; E2386-R2389 WeakPolarHBondContact O-CB 3.36Å; E2386-R2389 PolarHBondContact O-N 3.15Å; E2386-R2389 VanDerWaalsContact O-N 3.11Å; F2387-R2389 PolarHBondContact O-N 3.08Å; F2387-R2389 VanDerWaalsContact O-N 3.13Å; R2389-Y2501 HydrophobicContact CB-CD1 3.94Å; R2389-Y2501 HydrophobicContact CB-CE1 3.5Å; R2389-Y2501 VanDerWaalsContact CB-CE1 3.5Å; R2389-Y2501 VanDerWaalsContact CD-CE1 3.45Å; R2389-Y2501 HydrophobicContact CG-CD1 4.22Å; R2389-Y2501 HydrophobicContact CG-CE1 3.5Å
2390	S	71.7	Confident	62.9	Low	27.4 Å²	27.4	62.6 Å²	62.6	19%	0.192	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-71.6	142.4	178.3	59.9	0	0	0	0	111.3	F2387	F2387-S2390 WeakPolarHBondContact O-CB 3.39Å; F2387-S2390 PolarHBondContact O-N 3.01Å; F2387-S2390 VanDerWaalsContact O-N 3.11Å; F2387-S2390 PolarHBondContact O-OG 3.12Å
2391	P	80.1	Confident	64.5	Low	2.8 Å²	2.8	57.6 Å²	57.6	2%	0.018	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-63.8	165.7	168.6	28.8	-34.8	0	0	0	111.3	N2393 F2455 L2456 V2458 Y2504	P2391-N2393 PolarHBondContact O-N 2.88Å; P2391-F2455 HydrophobicContact CB-CB 4.08Å; P2391-F2455 HydrophobicContact CG-CB 4.22Å; P2391-L2456 CarbonylContact C-O 3.53Å; P2391-L2456 VanDerWaalsContact CA-O 3.3Å; P2391-L2456 WeakPolarHBondContact CA-O 3.35Å; P2391-L2456 VanDerWaalsContact CB-C 3.49Å; P2391-L2456 WeakPolarHBondContact CB-O 3.3Å; P2391-V2458 HydrophobicContact CB-CG1 4.14Å; P2391-V2458 HydrophobicContact CG-CG1 3.59Å; P2391-Y2504 VanDerWaalsContact CD-CE2 3.4Å; P2391-Y2504 HydrophobicContact CG-CD1 3.63Å; P2391-Y2504 HydrophobicContact CG-CD2 4.1Å; P2391-Y2504 HydrophobicContact CG-CE1 3.74Å; P2391-Y2504 HydrophobicContact CG-CE2 4.06Å; P2391-Y2504 HydrophobicContact CG-CG 3.91Å
2392	L	84.2	Confident	66	Low	21.6 Å²	21.6	58.2 Å²	58.2	11%	0.113	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-62.7	136.4	166.6	-61.2	171.1	0	0	0	110.2	F2334 E2394 P2396 L2456 A2457 V2458 T2573 V2575 Y2608	F2334-L2392 HydrophobicContact CE1-CD1 4.37Å; L2392-E2394 VanDerWaalsContact C-N 3.26Å; L2392-E2394 PolarHBondContact O-N 3.06Å; L2392-P2396 HydrophobicContact CD1-CB 4.16Å; L2392-P2396 HydrophobicContact CD1-CG 4.27Å; L2392-L2456 PolarHBondContact N-O 3.18Å; L2392-A2457 HydrophobicContact CB-CB 3.87Å; L2392-A2457 HydrophobicContact CD1-CB 4.4Å; L2392-A2457 HydrophobicContact CG-CB 4.48Å; L2392-A2457 CarbonylContact O-C 3.52Å; L2392-A2457 WeakPolarHBondContact O-CA 3.22Å; L2392-V2458 PolarHBondContact O-N 2.99Å; L2392-T2573 HydrophobicContact CD1-CG2 3.88Å; L2392-T2573 HydrophobicContact CD2-CG2 3.92Å; L2392-V2575 HydrophobicContact CD1-CG2 3.9Å; L2392-V2575 HydrophobicContact CD2-CG2 3.71Å; L2392-V2575 HydrophobicContact CG-CG2 3.64Å; L2392-Y2608 HydrophobicContact CD2-CD1 3.95Å; L2392-Y2608 HydrophobicContact CD2-CE1 3.72Å; L2392-Y2608 HydrophobicContact CD2-CG 4.5Å
2393	N	82.9	Confident	67.8	Low	119.4 Å²	119.4	50.2 Å²	50.2	64%	0.639	25%	0.253	S	S	*	.	S	Bend	trans	-79.4	1.4	178.8	-65.8	-19.2	0	0	0	113.8	P2391 N2459	P2391-N2393 PolarHBondContact O-N 2.88Å; N2393-N2459 VanDerWaalsContact O-CB 3.29Å; N2393-N2459 WeakPolarHBondContact O-CB 3.33Å; N2393-N2459 VanDerWaalsContact O-CG 3.28Å; N2393-N2459 PolarHBondContact O-ND2 2.87Å
2394	E	83.4	Confident	69.5	Low	105.8 Å²	105.8	47.3 Å²	47.3	49%	0.494	24%	0.236	S	C	.	.	S	Bend	trans	-141	150.8	178.2	-52.3	-173.8	169.3	0	0	109.5	L2392 P2396 K2528	L2392-E2394 VanDerWaalsContact C-N 3.26Å; L2392-E2394 PolarHBondContact O-N 3.06Å; E2394-P2396 WeakPolarHBondContact O-CD 3.36Å; E2394-K2528 IonicContact OE1-NZ 3.94Å
2395	Y	87.4	Confident	71	Confident	8.6 Å²	8.6	45.9 Å²	45.9	3%	0.034	23%	0.231	C	C	.	.			trans	-69	124.4	170.2	-172.4	-100.3	0	0	0	109.5	F2397 L2403 Q2425 K2427 K2528 I2532	Y2395-F2397 VanDerWaalsContact C-N 3.32Å; Y2395-F2397 HydrophobicContact CD1-CB 4.44Å; Y2395-F2397 VanDerWaalsContact CD1-O 3.24Å; Y2395-F2397 WeakPolarHBondContact CD1-O 3.38Å; Y2395-F2397 HydrophobicContact CE1-CB 3.84Å; Y2395-F2397 HydrophobicContact CE1-CD2 4.28Å; Y2395-F2397 VanDerWaalsContact CE1-O 3.26Å; Y2395-F2397 WeakPolarHBondContact CE1-O 3.34Å; Y2395-F2397 PolarHBondContact O-N 3.04Å; Y2395-L2403 WeakPolarHBondContact OH-CD1 3.25Å; Y2395-Q2425 PolarHBondContact OH-OE1 2.92Å; Y2395-Q2425 VanDerWaalsContact OH-OE1 3.1Å; Y2395-K2427 HydrophobicContact CD1-CD 4.44Å; Y2395-K2427 HydrophobicContact CD1-CG 4.23Å; Y2395-K2427 HydrophobicContact CE1-CB 4.3Å; Y2395-K2427 HydrophobicContact CE1-CD 4.02Å; Y2395-K2427 HydrophobicContact CE1-CG 3.99Å; Y2395-K2427 HydrophobicContact CE2-CB 4.43Å; Y2395-K2528 WeakPolarHBondContact CB-O 3.29Å; Y2395-K2528 PolarHBondContact N-O 3.15Å; Y2395-K2528 VanDerWaalsContact N-O 3.09Å; Y2395-I2532 HydrophobicContact CD2-CD1 4.38Å; Y2395-I2532 HydrophobicContact CD2-CG1 4.03Å; Y2395-I2532 HydrophobicContact CE2-CD1 3.94Å; Y2395-I2532 HydrophobicContact CE2-CG1 3.6Å
2396	P	85.1	Confident	73	Confident	14.4 Å²	14.4	42.8 Å²	42.8	9%	0.094	21%	0.213	C	C	.	.	S	Bend	trans	-79.4	-17.1	-164.1	26.2	-31.6	0	0	0	115.2	T2332 F2334 L2392 E2394 I2532 R2571	T2332-P2396 HydrophobicContact CG2-CB 4.45Å; F2334-P2396 HydrophobicContact CE1-CG 4.41Å; F2334-P2396 HydrophobicContact CZ-CG 3.87Å; L2392-P2396 HydrophobicContact CD1-CB 4.16Å; L2392-P2396 HydrophobicContact CD1-CG 4.27Å; E2394-P2396 WeakPolarHBondContact O-CD 3.36Å; P2396-I2532 HydrophobicContact CG-CD1 3.68Å; P2396-R2571 PolarHBondContact O-NH1 3.14Å
2397	F	83.8	Confident	74.8	Confident	11.8 Å²	11.8	39.6 Å²	39.6	5%	0.052	20%	0.199	C	C	.	.			trans	-107.7	123.2	-174.6	-51.2	-62.1	0	0	0	111.1	I2308 T2332 F2334 Y2395 L2403 I2532	I2308-F2397 HydrophobicContact CB-CZ 4.45Å; I2308-F2397 HydrophobicContact CD1-CD1 4.12Å; I2308-F2397 HydrophobicContact CD1-CE1 3.58Å; I2308-F2397 HydrophobicContact CD1-CE2 4.44Å; I2308-F2397 HydrophobicContact CD1-CZ 3.81Å; I2308-F2397 HydrophobicContact CG1-CE1 3.8Å; I2308-F2397 HydrophobicContact CG1-CZ 4.02Å; I2308-F2397 HydrophobicContact CG2-CE1 4.34Å; I2308-F2397 HydrophobicContact CG2-CE2 4.42Å; I2308-F2397 HydrophobicContact CG2-CZ 3.73Å; T2332-F2397 HydrophobicContact CG2-CE1 4.04Å; T2332-F2397 HydrophobicContact CG2-CZ 3.83Å; F2334-F2397 AromaticContact CE2-CE2 3.92Å; F2334-F2397 HydrophobicContact CE2-CE2 3.99Å; F2334-F2397 AromaticContact CE2-CZ 3.77Å; F2334-F2397 HydrophobicContact CE2-CZ 3.88Å; F2334-F2397 HydrophobicContact CZ-CE2 4.15Å; F2334-F2397 AromaticContact CZ-CZ 3.93Å; F2334-F2397 HydrophobicContact CZ-CZ 4.08Å; Y2395-F2397 VanDerWaalsContact C-N 3.32Å; Y2395-F2397 HydrophobicContact CD1-CB 4.44Å; Y2395-F2397 VanDerWaalsContact CD1-O 3.24Å; Y2395-F2397 WeakPolarHBondContact CD1-O 3.38Å; Y2395-F2397 HydrophobicContact CE1-CB 3.84Å; Y2395-F2397 HydrophobicContact CE1-CD2 4.28Å; Y2395-F2397 VanDerWaalsContact CE1-O 3.26Å; Y2395-F2397 WeakPolarHBondContact CE1-O 3.34Å; Y2395-F2397 PolarHBondContact O-N 3.04Å; F2397-L2403 HydrophobicContact CB-CD1 4.27Å; F2397-L2403 HydrophobicContact CD2-CD1 3.38Å; F2397-L2403 HydrophobicContact CD2-CD2 4.46Å; F2397-L2403 HydrophobicContact CE2-CD1 3.85Å; F2397-L2403 HydrophobicContact CG-CD1 3.91Å; F2397-L2403 HydrophobicContact CZ-CD1 4.46Å; F2397-I2532 HydrophobicContact CD2-CD1 4.03Å; F2397-I2532 HydrophobicContact CE2-CD1 3.62Å
2398	K	71.3	Confident	76.5	Confident	89 Å²	89	36.2 Å²	36.2	39%	0.387	19%	0.186	S	C	.	.			trans	-87.6	150.7	178.3	-63.4	174.8	-178.5	169.7	0	110	E2400 K2427 D2527 E2567	K2398-E2400 VanDerWaalsContact C-N 3.29Å; K2398-E2400 PolarHBondContact O-N 3.02Å; K2398-K2427 PolarHBondContact O-NZ 3.22Å; K2398-D2527 HydrophobicContact CB-CB 4.45Å; K2398-D2527 WeakPolarHBondContact O-CB 3.11Å; K2398-E2567 IonicContact NZ-OE1 3.47Å; K2398-E2567 PolarHBondContact NZ-OE1 2.98Å; K2398-E2567 IonicContact NZ-OE2 3.14Å; K2398-E2567 PolarHBondContact NZ-OE2 2.82Å
2399	N	65.6	Low	78.2	Confident	16.2 Å²	16.2	35.5 Å²	35.5	9%	0.087	18%	0.181	C	C	.	.	S	Bend	trans	63.2	-23.7	174.9	-53.5	-46.4	0	0	0	118.4	E2278 R2279 D2302 E2401 K2427 D2527	E2278-N2399 VanDerWaalsContact OE2-O 3.11Å; R2279-N2399 HydrophobicContact CB-CB 4.02Å; R2279-N2399 VanDerWaalsContact O-CB 3.24Å; R2279-N2399 WeakPolarHBondContact O-CB 3.44Å; R2279-N2399 VanDerWaalsContact O-O 3.14Å; D2302-N2399 PolarHBondContact OD1-ND2 2.88Å; N2399-E2401 PolarHBondContact O-N 3.06Å; N2399-K2427 VanDerWaalsContact C-NZ 3.3Å; N2399-K2427 PolarHBondContact O-NZ 2.84Å; N2399-K2427 VanDerWaalsContact O-NZ 3.16Å; N2399-D2527 WeakPolarHBondContact CA-OD1 3.45Å; N2399-D2527 PolarHBondContact N-OD1 2.94Å; N2399-D2527 VanDerWaalsContact N-OD1 3.1Å; N2399-D2527 PolarHBondContact OD1-OD2 2.93Å
2400	E	67.5	Low	79.4	Confident	12.8 Å²	12.8	33.2 Å²	33.2	6%	0.06	18%	0.176	C	C	.	.			trans	-83.2	117.7	178.1	-113.8	175.5	178.2	0	0	111.2	R2237 V2280 P2281 K2398 L2403 K2427	R2237-E2400 IonicContact CZ-OE1 3.87Å; R2237-E2400 IonicContact NE-OE1 3.66Å; R2237-E2400 PolarHBondContact NE-OE1 2.85Å; R2237-E2400 IonicContact NH2-OE1 3.79Å; R2237-E2400 PolarHBondContact NH2-OE1 2.95Å; V2280-E2400 HydrophobicContact CB-CG 4.26Å; V2280-E2400 WeakPolarHBondContact CB-OE1 3.06Å; V2280-E2400 HydrophobicContact CG1-CG 3.82Å; P2281-E2400 VanDerWaalsContact CD-OE1 3.3Å; P2281-E2400 WeakPolarHBondContact CD-OE1 3.4Å; K2398-E2400 VanDerWaalsContact C-N 3.29Å; K2398-E2400 PolarHBondContact O-N 3.02Å; E2400-L2403 HydrophobicContact CB-CG 4.45Å; E2400-L2403 HydrophobicContact CG-CD2 4.38Å; E2400-L2403 HydrophobicContact CG-CG 4.27Å; E2400-L2403 VanDerWaalsContact OE2-CD2 3.25Å; E2400-L2403 WeakPolarHBondContact OE2-CD2 3.43Å; E2400-K2427 WeakPolarHBondContact O-CD 3.38Å; E2400-K2427 PolarHBondContact O-NZ 2.87Å
2401	E	64.1	Low	80.2	Confident	52.5 Å²	52.5	32.3 Å²	32.3	25%	0.245	17%	0.17	C	C	.	.	S	Bend	trans	-81.4	-34.5	173.9	-73.7	-166.6	164	0	0	113.4	R2132 E2278 N2399 Q2425 K2427 S2429 W2431	R2132-E2401 IonicContact NH1-OE1 2.74Å; R2132-E2401 IonicContact NH2-OE1 3.77Å; R2132-E2401 PolarHBondContact NH2-OE1 2.98Å; E2278-E2401 VanDerWaalsContact OE1-CG 3.24Å; E2278-E2401 WeakPolarHBondContact OE1-CG 3.46Å; E2278-E2401 PolarHBondContact OE2-N 2.93Å; N2399-E2401 PolarHBondContact O-N 3.06Å; E2401-Q2425 PolarHBondContact O-NE2 3.4Å; E2401-K2427 HydrophobicContact CG-CD 4.44Å; E2401-S2429 VanDerWaalsContact OE1-CB 3.26Å; E2401-S2429 WeakPolarHBondContact OE1-CB 3.42Å; E2401-S2429 PolarHBondContact OE1-OG 2.99Å; E2401-W2431 WeakPolarHBondContact OE1-CB 3.16Å; E2401-W2431 PolarHBondContact OE1-NE1 2.88Å; E2401-W2431 VanDerWaalsContact OE1-NE1 3.12Å
2402	I	67.1	Low	80.5	Confident	72.75 Å²	72.75	34.2 Å²	34.2	37%	0.373	18%	0.183	S	C	.	.			trans	-119.6	95.3	-174.8	-54.1	177.4	0	0	0	110.5	Q1901 F2404	Q1901-I2402 HydrophobicContact CG-CD1 4.22Å; I2402-F2404 HydrophobicContact CG2-CD1 4.28Å; I2402-F2404 HydrophobicContact CG2-CE1 4.23Å; I2402-F2404 HydrophobicContact CG2-CE2 4.37Å; I2402-F2404 HydrophobicContact CG2-CZ 4.45Å; I2402-F2404 PolarHBondContact O-N 3.04Å
2403	L	76.7	Confident	80.6	Confident	3.5 Å²	3.5	35.7 Å²	35.7	2%	0.018	19%	0.189	C	C	.	.			trans	-85.3	104	169.1	-77.8	155.4	0	0	0	110.8	V2286 I2308 Y2395 F2397 E2400 G2405 F2406 Q2425	V2286-L2403 HydrophobicContact CG2-CD2 4.47Å; I2308-L2403 HydrophobicContact CD1-CD1 4.27Å; I2308-L2403 HydrophobicContact CD1-CD2 3.46Å; I2308-L2403 VanDerWaalsContact CD1-CD2 3.41Å; Y2395-L2403 WeakPolarHBondContact OH-CD1 3.25Å; F2397-L2403 HydrophobicContact CB-CD1 4.27Å; F2397-L2403 HydrophobicContact CD2-CD1 3.38Å; F2397-L2403 HydrophobicContact CD2-CD2 4.46Å; F2397-L2403 HydrophobicContact CE2-CD1 3.85Å; F2397-L2403 HydrophobicContact CG-CD1 3.91Å; F2397-L2403 HydrophobicContact CZ-CD1 4.46Å; E2400-L2403 HydrophobicContact CB-CG 4.45Å; E2400-L2403 HydrophobicContact CG-CD2 4.38Å; E2400-L2403 HydrophobicContact CG-CG 4.27Å; E2400-L2403 VanDerWaalsContact OE2-CD2 3.25Å; E2400-L2403 WeakPolarHBondContact OE2-CD2 3.43Å; L2403-G2405 PolarHBondContact O-N 2.89Å; L2403-F2406 HydrophobicContact CB-CB 4.36Å; L2403-F2406 HydrophobicContact CB-CD2 3.92Å; L2403-F2406 HydrophobicContact CB-CG 4.33Å; L2403-F2406 WeakPolarHBondContact O-CB 3.46Å; L2403-F2406 PolarHBondContact O-N 2.91Å; L2403-Q2425 VanDerWaalsContact CD1-OE1 3.26Å; L2403-Q2425 PolarHBondContact O-NE2 3.08Å
2404	F	77.6	Confident	80.8	Confident	39 Å²	39	32.1 Å²	32.1	17%	0.171	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	127.2	174.8	-73.3	-66.2	0	0	0	111.5	I1905 N1935 L2023 R2237 V2239 V2286 I2402	I1905-F2404 HydrophobicContact CD1-CD1 3.35Å; I1905-F2404 HydrophobicContact CD1-CE1 3.77Å; I1905-F2404 HydrophobicContact CD1-CG 4.26Å; I1905-F2404 HydrophobicContact CG1-CD1 4.27Å; I1905-F2404 HydrophobicContact CG1-CE1 4.24Å; N1935-F2404 WeakPolarHBondContact O-CZ 3.33Å; L2023-F2404 HydrophobicContact CD1-CD2 3.87Å; L2023-F2404 HydrophobicContact CD1-CE2 4.16Å; L2023-F2404 HydrophobicContact CD1-CG 4.4Å; L2023-F2404 HydrophobicContact CD2-CD2 4.02Å; L2023-F2404 HydrophobicContact CD2-CE1 4.41Å; L2023-F2404 HydrophobicContact CD2-CE2 3.69Å; L2023-F2404 HydrophobicContact CD2-CZ 4.07Å; L2023-F2404 HydrophobicContact CG-CE2 4.48Å; R2237-F2404 VanDerWaalsContact NH1-CE2 3.32Å; V2239-F2404 HydrophobicContact CB-CB 4.43Å; V2239-F2404 HydrophobicContact CG1-CB 4.2Å; V2239-F2404 WeakPolarHBondContact CG1-O 3.39Å; V2239-F2404 HydrophobicContact CG2-CB 3.87Å; V2286-F2404 WeakPolarHBondContact CG1-O 3.39Å; I2402-F2404 HydrophobicContact CG2-CD1 4.28Å; I2402-F2404 HydrophobicContact CG2-CE1 4.23Å; I2402-F2404 HydrophobicContact CG2-CE2 4.37Å; I2402-F2404 HydrophobicContact CG2-CZ 4.45Å; I2402-F2404 PolarHBondContact O-N 3.04Å
2405	G	76.6	Confident	81.1	Confident	26.5 Å²	26.5	30.7 Å²	30.7	27%	0.273	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.1	-23.5	-175.4	0	0	0	0	0	113.8	Y2287 L2403	Y2287-G2405 VanDerWaalsContact CE2-O 3.29Å; Y2287-G2405 WeakPolarHBondContact CE2-O 3.33Å; L2403-G2405 PolarHBondContact O-N 2.89Å
2406	F	86.5	Confident	81.3	Confident	10.25 Å²	10.25	30.5 Å²	30.5	5%	0.045	17%	0.166	C	C	.	.	S	Bend	trans	-92.6	149.7	170.6	-69	-104.5	0	0	0	110	V2286 I2308 F2334 L2403 P2408 L2423 Q2425 I2532	V2286-F2406 HydrophobicContact CG1-CD2 4.36Å; V2286-F2406 HydrophobicContact CG1-CE2 3.9Å; I2308-F2406 HydrophobicContact CG2-CE2 3.7Å; I2308-F2406 HydrophobicContact CG2-CZ 3.72Å; F2334-F2406 HydrophobicContact CD2-CE1 4.2Å; F2334-F2406 HydrophobicContact CD2-CZ 4.09Å; F2334-F2406 HydrophobicContact CE2-CE1 4.21Å; F2334-F2406 HydrophobicContact CE2-CZ 4.06Å; L2403-F2406 HydrophobicContact CB-CB 4.36Å; L2403-F2406 HydrophobicContact CB-CD2 3.92Å; L2403-F2406 HydrophobicContact CB-CG 4.33Å; L2403-F2406 WeakPolarHBondContact O-CB 3.46Å; L2403-F2406 PolarHBondContact O-N 2.91Å; F2406-P2408 VanDerWaalsContact O-CD 3.29Å; F2406-P2408 WeakPolarHBondContact O-CD 3.42Å; F2406-L2423 HydrophobicContact CD1-CB 3.61Å; F2406-L2423 HydrophobicContact CD1-CD1 4.23Å; F2406-L2423 HydrophobicContact CE1-CB 3.77Å; F2406-L2423 HydrophobicContact CE1-CD1 3.5Å; F2406-L2423 VanDerWaalsContact CE1-CD1 3.48Å; F2406-L2423 HydrophobicContact CE1-CG 4.26Å; F2406-L2423 HydrophobicContact CG-CB 4.48Å; F2406-L2423 HydrophobicContact CZ-CD1 3.93Å; F2406-Q2425 HydrophobicContact CB-CB 4.31Å; F2406-Q2425 HydrophobicContact CB-CG 3.86Å; F2406-Q2425 HydrophobicContact CD1-CB 4.44Å; F2406-I2532 HydrophobicContact CD1-CG2 4.45Å; F2406-I2532 HydrophobicContact CE1-CG2 4.06Å
2407	I	88.6	Confident	81.4	Confident	9 Å²	9	33.1 Å²	33.1	5%	0.046	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.2	172.4	-62.8	-171.2	0	0	0	108.7	I1903 H2245 M2409 I2416 V2422 L2423 V2424 Q2425 K2440 F2442	I1903-I2407 HydrophobicContact CD1-CD1 4.27Å; I1903-I2407 HydrophobicContact CD1-CG2 3.84Å; I1903-I2407 HydrophobicContact CG1-CG2 4.17Å; I1903-I2407 HydrophobicContact CG2-CD1 4.21Å; I1903-I2407 HydrophobicContact CG2-CG1 4.3Å; H2245-I2407 VanDerWaalsContact NE2-CD1 3.34Å; H2245-I2407 WeakPolarHBondContact NE2-CD1 3.5Å; I2407-M2409 PolarHBondContact O-N 3.27Å; I2407-I2416 HydrophobicContact CD1-CD1 4.04Å; I2407-I2416 HydrophobicContact CD1-CG1 4.35Å; I2407-I2416 HydrophobicContact CD1-CG2 3.84Å; I2407-I2416 HydrophobicContact CG2-CD1 3.63Å; I2407-I2416 VanDerWaalsContact CG2-CD1 3.43Å; I2407-V2422 HydrophobicContact CB-CG1 4.43Å; I2407-V2422 HydrophobicContact CD1-CB 3.72Å; I2407-V2422 HydrophobicContact CD1-CG1 3.46Å; I2407-V2422 HydrophobicContact CD1-CG2 3.97Å; I2407-V2422 HydrophobicContact CG1-CG1 3.8Å; I2407-L2423 PolarHBondContact N-O 2.87Å; I2407-V2424 HydrophobicContact CB-CG2 4.31Å; I2407-V2424 HydrophobicContact CG2-CG2 4.42Å; I2407-V2424 CarbonylContact O-C 3.37Å; I2407-V2424 WeakPolarHBondContact O-CA 3.31Å; I2407-Q2425 PolarHBondContact O-N 3.03Å; I2407-K2440 HydrophobicContact CG2-CD 4.28Å; I2407-F2442 HydrophobicContact CG2-CE1 4.5Å
2408	P	89.1	Confident	81.6	Confident	26.25 Å²	26.25	32.5 Å²	32.5	17%	0.17	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.7	171.1	13.8	-8.3	0	0	0	109.5	Q1901 F2406 C2410 S2411 Q2425 K2440	Q1901-P2408 HydrophobicContact CG-CB 4.4Å; Q1901-P2408 HydrophobicContact CG-CG 4.15Å; F2406-P2408 VanDerWaalsContact O-CD 3.29Å; F2406-P2408 WeakPolarHBondContact O-CD 3.42Å; P2408-C2410 PolarHBondContact O-N 2.89Å; P2408-C2410 VanDerWaalsContact O-N 3.1Å; P2408-S2411 WeakPolarHBondContact O-CB 3.43Å; P2408-S2411 PolarHBondContact O-N 3.09Å; P2408-S2411 PolarHBondContact O-OG 3.02Å; P2408-Q2425 CarbonylContact C-O 3.51Å; P2408-Q2425 WeakPolarHBondContact CA-O 3.48Å; P2408-K2440 VanDerWaalsContact O-CE 3.23Å; P2408-K2440 WeakPolarHBondContact O-CE 3.18Å
2409	M	89.9	Confident	82.1	Confident	1.25 Å²	1.25	30.2 Å²	30.2	1%	0.006	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.4	178.8	-177.3	64.7	-173.5	0	0	112.6	I2407 V2424 Q2425 F2426 C2438 K2440 W2453 V2517 V2519 F2531	I2407-M2409 PolarHBondContact O-N 3.27Å; M2409-V2424 HydrophobicContact CB-CG1 4.29Å; M2409-V2424 HydrophobicContact CE-CG1 3.84Å; M2409-V2424 HydrophobicContact SD-CG1 4.27Å; M2409-Q2425 WeakPolarHBondContact CB-O 3.37Å; M2409-Q2425 PolarHBondContact N-O 2.91Å; M2409-F2426 HydrophobicContact CB-CB 3.95Å; M2409-F2426 HydrophobicContact CB-CD2 4.08Å; M2409-F2426 HydrophobicContact CB-CG 4.44Å; M2409-F2426 HydrophobicContact CG-CD2 4.41Å; M2409-C2438 VanDerWaalsContact CE-O 3.27Å; M2409-C2438 WeakPolarHBondContact CE-O 3.41Å; M2409-C2438 HydrophobicContact CG-CB 4.16Å; M2409-K2440 HydrophobicContact CE-CB 3.63Å; M2409-K2440 HydrophobicContact CE-CG 3.51Å; M2409-K2440 VanDerWaalsContact CE-CG 3.47Å; M2409-K2440 WeakPolarHBondContact O-CE 3.35Å; M2409-K2440 VanDerWaalsContact O-CG 3.3Å; M2409-K2440 WeakPolarHBondContact O-CG 3.41Å; M2409-K2440 PolarHBondContact O-NZ 3.4Å; M2409-K2440 HydrophobicContact SD-CB 3.88Å; M2409-K2440 HydrophobicContact SD-CD 4Å; M2409-K2440 HydrophobicContact SD-CG 3.78Å; M2409-K2440 VanDerWaalsContact SD-CG 3.52Å; M2409-W2453 HydrophobicContact CE-CH2 3.3Å; M2409-W2453 HydrophobicContact CE-CZ2 4.05Å; M2409-W2453 HydrophobicContact CE-CZ3 3.98Å; M2409-V2517 HydrophobicContact CE-CB 3.82Å; M2409-V2517 HydrophobicContact CE-CG1 3.59Å; M2409-V2517 HydrophobicContact CE-CG2 4.27Å; M2409-V2517 VanDerWaalsContact CE-O 3.26Å; M2409-V2517 WeakPolarHBondContact CE-O 3.45Å; M2409-V2517 HydrophobicContact SD-CB 4.37Å; M2409-V2517 HydrophobicContact SD-CG1 4.08Å; M2409-V2519 HydrophobicContact CE-CG2 4.07Å; M2409-V2519 HydrophobicContact CG-CB 4.42Å; M2409-V2519 HydrophobicContact CG-CG2 3.86Å; M2409-V2519 HydrophobicContact SD-CG2 4.32Å; M2409-F2531 HydrophobicContact CB-CZ 4.34Å; M2409-F2531 HydrophobicContact CE-CE2 3.95Å; M2409-F2531 HydrophobicContact CE-CZ 3.67Å; M2409-F2531 HydrophobicContact CG-CZ 4.27Å
2410	C	88.2	Confident	82.7	Confident	26 Å²	26	30 Å²	30	18%	0.176	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	25	177.7	-55	0	0	0	0	113.5	T1870 Q1901 P2408 F2426 C2438	T1870-C2410 HydrophobicContact CG2-CB 4.34Å; T1870-C2410 WeakPolarHBondContact CG2-O 3.31Å; Q1901-C2410 PolarHBondContact OE1-O 3.01Å; P2408-C2410 PolarHBondContact O-N 2.89Å; P2408-C2410 VanDerWaalsContact O-N 3.1Å; C2410-F2426 VanDerWaalsContact SG-CE2 3.58Å; C2410-C2438 VanDerWaalsContact CA-SG 3.58Å; C2410-C2438 WeakPolarHBondContact CA-SG 3.39Å; C2410-C2438 HydrophobicContact CB-CB 3.95Å; C2410-C2438 WeakPolarHBondContact CB-SG 3.26Å; C2410-C2438 WeakPolarHBondContact SG-CB 3.39Å; C2410-C2438 CovalentContact SG-SG 2.04Å; C2410-C2438 PolarHBondContact SG-SG 2.8Å
2411	S	87.9	Confident	83.4	Confident	8.5 Å²	8.5	31.8 Å²	31.8	6%	0.059	18%	0.179	C	C	.	.			trans	-65.8	160.5	169.9	58.3	0	0	0	0	112.1	Q1825 Q1901 I1903 P2408 E2413 K2440	Q1825-S2411 PolarHBondContact NE2-O 2.78Å; Q1825-S2411 PolarHBondContact OE1-O 2.64Å; Q1901-S2411 CarbonylContact O-C 3.56Å; Q1901-S2411 VanDerWaalsContact O-CA 3.27Å; Q1901-S2411 WeakPolarHBondContact O-CA 3.23Å; I1903-S2411 WeakPolarHBondContact CD1-OG 3.48Å; I1903-S2411 WeakPolarHBondContact CG1-OG 3.21Å; P2408-S2411 WeakPolarHBondContact O-CB 3.43Å; P2408-S2411 PolarHBondContact O-N 3.09Å; P2408-S2411 PolarHBondContact O-OG 3.02Å; S2411-E2413 VanDerWaalsContact C-N 3.33Å; S2411-E2413 WeakPolarHBondContact CB-OE2 3.14Å; S2411-E2413 PolarHBondContact O-N 3.15Å; S2411-E2413 PolarHBondContact OG-OE2 3.07Å; S2411-K2440 VanDerWaalsContact C-NZ 3.31Å; S2411-K2440 WeakPolarHBondContact O-CE 3.35Å; S2411-K2440 PolarHBondContact O-NZ 2.85Å; S2411-K2440 VanDerWaalsContact OG-CE 3.3Å; S2411-K2440 WeakPolarHBondContact OG-CE 3.36Å; S2411-K2440 PolarHBondContact OG-NZ 3.13Å
2412	S	86.2	Confident	84.5	Confident	43 Å²	43	29.8 Å²	29.8	30%	0.301	17%	0.17	S	C	.	.	S	Bend	trans	-62.5	-30.1	179.6	60.3	0	0	0	0	114.4	Q1825 Q1901 K2414	Q1825-S2412 PolarHBondContact NE2-O 3Å; Q1901-S2412 PolarHBondContact O-N 3.1Å; Q1901-S2412 PolarHBondContact O-OG 3.38Å; S2412-K2414 PolarHBondContact O-N 2.81Å
2413	E	87.1	Confident	85.5	Confident	52.25 Å²	52.25	26.4 Å²	26.4	24%	0.244	15%	0.153	C	C	.	.			trans	-77.6	112.1	-176.5	-59.2	105.8	160.1	0	0	111.4	S1902 I1903 Q1904 S2411 K2440	S1902-E2413 WeakPolarHBondContact CA-OE2 3.47Å; S1902-E2413 WeakPolarHBondContact CB-OE1 3.25Å; S1902-E2413 PolarHBondContact OG-OE1 2.85Å; I1903-E2413 HydrophobicContact CD1-CB 4.21Å; I1903-E2413 WeakPolarHBondContact CG1-OE2 3.24Å; I1903-E2413 PolarHBondContact N-OE1 2.93Å; I1903-E2413 VanDerWaalsContact N-OE1 3.17Å; I1903-E2413 PolarHBondContact N-OE2 3.03Å; I1903-E2413 VanDerWaalsContact N-OE2 3.16Å; Q1904-E2413 PolarHBondContact N-OE1 3.47Å; S2411-E2413 VanDerWaalsContact C-N 3.33Å; S2411-E2413 WeakPolarHBondContact CB-OE2 3.14Å; S2411-E2413 PolarHBondContact O-N 3.15Å; S2411-E2413 PolarHBondContact OG-OE2 3.07Å; E2413-K2440 WeakPolarHBondContact O-CD 3.41Å; E2413-K2440 WeakPolarHBondContact O-CE 3.36Å; E2413-K2440 PolarHBondContact O-NZ 3.12Å
2414	K	88	Confident	86.2	Confident	44.75 Å²	44.75	26.3 Å²	26.3	20%	0.195	15%	0.152	C	C	.	.			trans	-77.5	-31.9	-176.1	-67.2	-172.5	175.7	-175.1	0	114.7	E1798 S1826 D1828 S1829 V1830 T1831 S2412 V2441	E1798-K2414 VanDerWaalsContact CD-CE 3.49Å; E1798-K2414 VanDerWaalsContact CD-NZ 3.31Å; E1798-K2414 WeakPolarHBondContact OE1-CE 3.21Å; E1798-K2414 IonicContact OE1-NZ 2.75Å; E1798-K2414 PolarHBondContact OE1-NZ 2.92Å; E1798-K2414 WeakPolarHBondContact OE2-CE 3.38Å; E1798-K2414 IonicContact OE2-NZ 2.81Å; E1798-K2414 PolarHBondContact OE2-NZ 2.87Å; S1826-K2414 PolarHBondContact OG-NZ 3.11Å; D1828-K2414 VanDerWaalsContact O-CD 3.24Å; D1828-K2414 WeakPolarHBondContact O-CD 3.31Å; D1828-K2414 WeakPolarHBondContact O-CE 3.36Å; D1828-K2414 PolarHBondContact O-NZ 3.16Å; S1829-K2414 WeakPolarHBondContact O-CB 3.3Å; S1829-K2414 WeakPolarHBondContact O-CD 3.49Å; V1830-K2414 PolarHBondContact O-NZ 3.02Å; T1831-K2414 HydrophobicContact CG2-CB 4.39Å; T1831-K2414 HydrophobicContact CG2-CD 4.34Å; T1831-K2414 HydrophobicContact CG2-CG 4.13Å; S2412-K2414 PolarHBondContact O-N 2.81Å; K2414-V2441 PolarHBondContact O-N 3.15Å
2415	V	89.5	Confident	86.9	Confident	76.25 Å²	76.25	24.7 Å²	24.7	46%	0.462	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.7	-176.5	-174	0	0	0	0	109.9	V2441	V2415-V2441 CarbonylContact C-O 3.55Å; V2415-V2441 VanDerWaalsContact CA-O 3.3Å; V2415-V2441 WeakPolarHBondContact CA-O 3.36Å; V2415-V2441 HydrophobicContact CG1-CB 4.39Å; V2415-V2441 HydrophobicContact CG1-CG1 4.4Å; V2415-V2441 HydrophobicContact CG2-CB 4.27Å
2416	I	90.1	Very high	87.5	Confident	5.5 Å²	5.5	24 Å²	24	3%	0.028	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.3	-177.3	-64.2	161.6	0	0	0	109.6	I1903 I2407 V2418 K2440 V2441 F2442 R2443	I1903-I2416 HydrophobicContact CD1-CD1 3.53Å; I1903-I2416 VanDerWaalsContact CD1-CD1 3.44Å; I1903-I2416 HydrophobicContact CD1-CG1 3.8Å; I2407-I2416 HydrophobicContact CD1-CD1 4.04Å; I2407-I2416 HydrophobicContact CD1-CG1 4.35Å; I2407-I2416 HydrophobicContact CD1-CG2 3.84Å; I2407-I2416 HydrophobicContact CG2-CD1 3.63Å; I2407-I2416 VanDerWaalsContact CG2-CD1 3.43Å; I2416-V2418 HydrophobicContact CG2-CG2 4.4Å; I2416-K2440 HydrophobicContact CD1-CD 3.82Å; I2416-K2440 HydrophobicContact CD1-CG 4.01Å; I2416-K2440 HydrophobicContact CG1-CD 4.44Å; I2416-V2441 PolarHBondContact N-O 3.1Å; I2416-F2442 HydrophobicContact CB-CD1 3.9Å; I2416-F2442 HydrophobicContact CB-CE1 4.17Å; I2416-F2442 HydrophobicContact CD1-CD1 4.27Å; I2416-F2442 HydrophobicContact CD1-CE1 3.69Å; I2416-F2442 HydrophobicContact CD1-CZ 4.16Å; I2416-F2442 HydrophobicContact CG1-CE1 4.35Å; I2416-F2442 HydrophobicContact CG2-CD1 4.05Å; I2416-F2442 HydrophobicContact CG2-CE1 4.27Å; I2416-F2442 CarbonylContact O-C 3.55Å; I2416-F2442 VanDerWaalsContact O-CA 3.31Å; I2416-F2442 WeakPolarHBondContact O-CA 3.26Å; I2416-R2443 PolarHBondContact O-N 2.99Å
2417	S	89	Confident	87.5	Confident	68.25 Å²	68.25	24.7 Å²	24.7	48%	0.477	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	124.6	174.5	-41.7	0	0	0	0	111	H2245 R2443	H2245-S2417 PolarHBondContact CE1-O 2.86Å; S2417-R2443 CarbonylContact C-O 3.55Å; S2417-R2443 VanDerWaalsContact CA-O 3.29Å; S2417-R2443 WeakPolarHBondContact CA-O 3.31Å
2418	V	87.4	Confident	87.2	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.5	179.8	-178.3	0	0	0	0	108.7	I2416 V2422 F2442 R2443 S2444 T2445 L2451 I2535	I2416-V2418 HydrophobicContact CG2-CG2 4.4Å; V2418-V2422 HydrophobicContact CG1-CG1 4.45Å; V2418-V2422 HydrophobicContact CG1-CG2 4.29Å; V2418-V2422 HydrophobicContact CG2-CG1 4.38Å; V2418-V2422 HydrophobicContact CG2-CG2 4.15Å; V2418-F2442 HydrophobicContact CG2-CB 4.1Å; V2418-F2442 HydrophobicContact CG2-CD1 3.96Å; V2418-F2442 HydrophobicContact CG2-CG 4.48Å; V2418-R2443 PolarHBondContact N-O 2.94Å; V2418-S2444 CarbonylContact O-C 3.24Å; V2418-S2444 WeakPolarHBondContact O-CA 3.43Å; V2418-T2445 VanDerWaalsContact C-OG1 3.3Å; V2418-T2445 PolarHBondContact O-N 3.17Å; V2418-T2445 PolarHBondContact O-OG1 3.12Å; V2418-T2445 VanDerWaalsContact O-OG1 3.09Å; V2418-L2451 HydrophobicContact CB-CD2 4.22Å; V2418-L2451 HydrophobicContact CG1-CD2 4.3Å; V2418-I2535 HydrophobicContact CG1-CG2 4.37Å; V2418-I2535 HydrophobicContact CG2-CD1 4.36Å; V2418-I2535 HydrophobicContact CG2-CG2 3.99Å
2419	L	82.4	Confident	86.4	Confident	39.75 Å²	39.75	24.1 Å²	24.1	21%	0.208	13%	0.134	C	C	.	.	S	Bend	trans	-85.6	-56.1	173.6	-175.4	85.3	0	0	0	111.7	E2244 T2445 I2446 S2537	E2244-L2419 WeakPolarHBondContact OE1-CD2 3.28Å; E2244-L2419 WeakPolarHBondContact OE2-CB 3.41Å; L2419-T2445 WeakPolarHBondContact CA-OG1 3.37Å; L2419-T2445 HydrophobicContact CB-CG2 4.1Å; L2419-T2445 VanDerWaalsContact CB-OG1 3.24Å; L2419-T2445 WeakPolarHBondContact CB-OG1 3.38Å; L2419-T2445 HydrophobicContact CD1-CG2 3.99Å; L2419-T2445 WeakPolarHBondContact CD1-OG1 3.26Å; L2419-T2445 WeakPolarHBondContact CG-OG1 3.4Å; L2419-T2445 PolarHBondContact N-OG1 3.13Å; L2419-I2446 HydrophobicContact CD1-CD1 3.96Å; L2419-I2446 HydrophobicContact CD1-CG1 4.17Å; L2419-S2537 WeakPolarHBondContact O-CB 3.37Å; L2419-S2537 PolarHBondContact O-OG 3.08Å
2420	D	77.6	Confident	85.3	Confident	12.5 Å²	12.5	24.2 Å²	24.2	7%	0.067	14%	0.135	C	C	.	.	S	Bend	trans	-126.5	-62.3	-179.3	-69.7	-44.5	0	0	0	112.1	R2449 I2536 S2537 L2540 S2541 R2544	D2420-R2449 IonicContact OD1-NH1 3.24Å; D2420-I2536 CarbonylContact O-C 3.53Å; D2420-I2536 VanDerWaalsContact O-CA 3.23Å; D2420-I2536 WeakPolarHBondContact O-CA 3.4Å; D2420-I2536 WeakPolarHBondContact O-CG2 3.35Å; D2420-S2537 PolarHBondContact O-N 2.89Å; D2420-L2540 HydrophobicContact CB-CD2 4.03Å; D2420-L2540 WeakPolarHBondContact O-CD2 3.42Å; D2420-S2541 WeakPolarHBondContact OD1-CB 3.44Å; D2420-S2541 PolarHBondContact OD1-N 3.14Å; D2420-S2541 VanDerWaalsContact OD1-N 3.12Å; D2420-S2541 PolarHBondContact OD1-OG 3.12Å; D2420-R2544 WeakPolarHBondContact OD2-CD 3.36Å; D2420-R2544 IonicContact OD2-CZ 3.76Å; D2420-R2544 IonicContact OD2-NE 2.98Å; D2420-R2544 IonicContact OD2-NH1 3.33Å; D2420-R2544 PolarHBondContact OD2-NH1 3.19Å
2421	R	81.7	Confident	83.8	Confident	49.25 Å²	49.25	26.6 Å²	26.6	19%	0.186	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136.4	-175.5	-177.9	-171.1	-173.5	-137.8	9.6	111.5	F2334 S2336 E2534 I2535 I2536	F2334-R2421 PolarHBondContact O-NH1 3.05Å; F2334-R2421 PolarHBondContact O-NH2 3.14Å; S2336-R2421 WeakPolarHBondContact OG-CD 3.27Å; S2336-R2421 PolarHBondContact OG-NE 2.82Å; R2421-E2534 HydrophobicContact CG-CG 4.26Å; R2421-E2534 IonicContact CZ-OE1 3.79Å; R2421-E2534 IonicContact CZ-OE2 3.49Å; R2421-E2534 VanDerWaalsContact CZ-OE2 3.25Å; R2421-E2534 IonicContact NE-OE1 2.79Å; R2421-E2534 PolarHBondContact NE-OE1 3.25Å; R2421-E2534 IonicContact NE-OE2 2.82Å; R2421-E2534 PolarHBondContact NE-OE2 3.21Å; R2421-E2534 IonicContact NH2-OE1 3.24Å; R2421-E2534 PolarHBondContact NH2-OE1 3.24Å; R2421-E2534 IonicContact NH2-OE2 3.47Å; R2421-E2534 PolarHBondContact NH2-OE2 3Å; R2421-I2535 CarbonylContact C-O 3.52Å; R2421-I2535 VanDerWaalsContact CA-O 3.31Å; R2421-I2535 WeakPolarHBondContact CA-O 3.41Å; R2421-I2536 HydrophobicContact CB-CG1 4.34Å; R2421-I2536 HydrophobicContact CG-CG1 4.07Å
2422	V	86.7	Confident	82.2	Confident	10.75 Å²	10.75	28.3 Å²	28.3	7%	0.065	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.7	171.6	-168.9	0	0	0	0	110.1	I2407 V2418 V2424 E2534 I2535	I2407-V2422 HydrophobicContact CB-CG1 4.43Å; I2407-V2422 HydrophobicContact CD1-CB 3.72Å; I2407-V2422 HydrophobicContact CD1-CG1 3.46Å; I2407-V2422 HydrophobicContact CD1-CG2 3.97Å; I2407-V2422 HydrophobicContact CG1-CG1 3.8Å; V2418-V2422 HydrophobicContact CG1-CG1 4.45Å; V2418-V2422 HydrophobicContact CG1-CG2 4.29Å; V2418-V2422 HydrophobicContact CG2-CG1 4.38Å; V2418-V2422 HydrophobicContact CG2-CG2 4.15Å; V2422-V2424 HydrophobicContact CG1-CG2 4.37Å; V2422-V2424 HydrophobicContact CG2-CG2 4.48Å; V2422-E2534 WeakPolarHBondContact O-CA 3.21Å; V2422-I2535 HydrophobicContact CB-CG2 3.75Å; V2422-I2535 HydrophobicContact CG1-CG2 4.34Å; V2422-I2535 HydrophobicContact CG2-CB 3.8Å; V2422-I2535 HydrophobicContact CG2-CD1 4.44Å; V2422-I2535 HydrophobicContact CG2-CG1 4.45Å; V2422-I2535 PolarHBondContact N-O 3.07Å; V2422-I2535 PolarHBondContact O-N 3.13Å
2423	L	89.3	Confident	80.7	Confident	2.75 Å²	2.75	29.9 Å²	29.9	1%	0.014	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.1	170.6	-63.7	-171.9	0	0	0	110.4	Y2287 T2309 F2334 F2406 I2407 L2456 A2533 E2534	Y2287-L2423 HydrophobicContact CE1-CD1 4.39Å; Y2287-L2423 WeakPolarHBondContact OH-CB 3.33Å; Y2287-L2423 VanDerWaalsContact OH-CD1 3.27Å; Y2287-L2423 WeakPolarHBondContact OH-CD1 3.36Å; Y2287-L2423 WeakPolarHBondContact OH-CG 3.46Å; T2309-L2423 HydrophobicContact CG2-CD1 4.22Å; F2334-L2423 HydrophobicContact CB-CD1 4.27Å; F2334-L2423 HydrophobicContact CD2-CD1 4.22Å; F2334-L2423 HydrophobicContact CG-CD1 4.48Å; F2406-L2423 HydrophobicContact CD1-CB 3.61Å; F2406-L2423 HydrophobicContact CD1-CD1 4.23Å; F2406-L2423 HydrophobicContact CE1-CB 3.77Å; F2406-L2423 HydrophobicContact CE1-CD1 3.5Å; F2406-L2423 VanDerWaalsContact CE1-CD1 3.48Å; F2406-L2423 HydrophobicContact CE1-CG 4.26Å; F2406-L2423 HydrophobicContact CG-CB 4.48Å; F2406-L2423 HydrophobicContact CZ-CD1 3.93Å; I2407-L2423 PolarHBondContact N-O 2.87Å; L2423-L2456 HydrophobicContact CD2-CD1 3.69Å; L2423-A2533 CarbonylContact C-O 3.52Å; L2423-A2533 WeakPolarHBondContact CA-O 3.2Å; L2423-E2534 HydrophobicContact CD2-CB 3.6Å; L2423-E2534 HydrophobicContact CD2-CG 3.98Å
2424	V	91.5	Very high	79.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.9	179.5	-175.4	0	0	0	0	108.3	I2407 M2409 V2422 F2442 W2453 F2531 I2532 A2533 I2535	I2407-V2424 HydrophobicContact CB-CG2 4.31Å; I2407-V2424 HydrophobicContact CG2-CG2 4.42Å; I2407-V2424 CarbonylContact O-C 3.37Å; I2407-V2424 WeakPolarHBondContact O-CA 3.31Å; M2409-V2424 HydrophobicContact CB-CG1 4.29Å; M2409-V2424 HydrophobicContact CE-CG1 3.84Å; M2409-V2424 HydrophobicContact SD-CG1 4.27Å; V2422-V2424 HydrophobicContact CG1-CG2 4.37Å; V2422-V2424 HydrophobicContact CG2-CG2 4.48Å; V2424-F2442 HydrophobicContact CG1-CZ 4.28Å; V2424-F2442 HydrophobicContact CG2-CE1 3.71Å; V2424-F2442 HydrophobicContact CG2-CZ 3.56Å; V2424-W2453 HydrophobicContact CB-CH2 4.12Å; V2424-W2453 HydrophobicContact CB-CZ3 4.26Å; V2424-W2453 HydrophobicContact CG1-CH2 4.01Å; V2424-W2453 HydrophobicContact CG1-CZ3 4.37Å; V2424-W2453 HydrophobicContact CG2-CH2 4.4Å; V2424-W2453 HydrophobicContact CG2-CZ3 4.15Å; V2424-F2531 HydrophobicContact CG1-CE2 4.46Å; V2424-I2532 WeakPolarHBondContact O-CA 3.28Å; V2424-A2533 PolarHBondContact N-O 3.08Å; V2424-A2533 PolarHBondContact O-N 2.98Å; V2424-A2533 VanDerWaalsContact O-O 3.13Å; V2424-I2535 HydrophobicContact CG2-CD1 3.83Å; V2424-I2535 HydrophobicContact CG2-CG1 4.23Å; V2424-I2535 HydrophobicContact CG2-CG2 4.33Å
2425	Q	91.1	Very high	79	Confident	6.75 Å²	6.75	28.9 Å²	28.9	3%	0.032	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.9	176.8	69.6	173.6	-3.9	0	0	111.8	Y2395 E2401 L2403 F2406 I2407 P2408 M2409 F2531 I2532	Y2395-Q2425 PolarHBondContact OH-OE1 2.92Å; Y2395-Q2425 VanDerWaalsContact OH-OE1 3.1Å; E2401-Q2425 PolarHBondContact O-NE2 3.4Å; L2403-Q2425 VanDerWaalsContact CD1-OE1 3.26Å; L2403-Q2425 PolarHBondContact O-NE2 3.08Å; F2406-Q2425 HydrophobicContact CB-CB 4.31Å; F2406-Q2425 HydrophobicContact CB-CG 3.86Å; F2406-Q2425 HydrophobicContact CD1-CB 4.44Å; I2407-Q2425 PolarHBondContact O-N 3.03Å; P2408-Q2425 CarbonylContact C-O 3.51Å; P2408-Q2425 WeakPolarHBondContact CA-O 3.48Å; M2409-Q2425 WeakPolarHBondContact CB-O 3.37Å; M2409-Q2425 PolarHBondContact N-O 2.91Å; Q2425-F2531 WeakPolarHBondContact CA-O 3.31Å; Q2425-I2532 HydrophobicContact CB-CG1 4.47Å
2426	F	89.9	Confident	78.5	Confident	11.25 Å²	11.25	25.9 Å²	25.9	5%	0.049	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	125.5	167	176.2	-95.2	0	0	0	108.3	M2409 C2410 Y2428 V2519 T2521 G2530 F2531	M2409-F2426 HydrophobicContact CB-CB 3.95Å; M2409-F2426 HydrophobicContact CB-CD2 4.08Å; M2409-F2426 HydrophobicContact CB-CG 4.44Å; M2409-F2426 HydrophobicContact CG-CD2 4.41Å; C2410-F2426 VanDerWaalsContact SG-CE2 3.58Å; F2426-Y2428 HydrophobicContact CD1-CD2 4.37Å; F2426-Y2428 HydrophobicContact CD1-CE2 4.43Å; F2426-Y2428 AromaticContact CE1-CD2 3.75Å; F2426-Y2428 HydrophobicContact CE1-CD2 3.75Å; F2426-Y2428 AromaticContact CE1-CE2 3.85Å; F2426-Y2428 HydrophobicContact CE1-CE2 3.85Å; F2426-Y2428 HydrophobicContact CE1-CG 4.31Å; F2426-V2519 HydrophobicContact CD1-CG1 4.36Å; F2426-V2519 HydrophobicContact CD2-CG1 4.36Å; F2426-V2519 HydrophobicContact CE1-CG1 4.21Å; F2426-V2519 HydrophobicContact CE2-CG1 4.19Å; F2426-V2519 HydrophobicContact CG-CG1 4.42Å; F2426-V2519 HydrophobicContact CZ-CG1 4.13Å; F2426-T2521 HydrophobicContact CE1-CG2 3.77Å; F2426-T2521 HydrophobicContact CZ-CG2 3.95Å; F2426-T2521 VanDerWaalsContact CZ-OG1 3.29Å; F2426-T2521 WeakPolarHBondContact CZ-OG1 3.28Å; F2426-G2530 CarbonylContact O-C 3.56Å; F2426-G2530 WeakPolarHBondContact O-CA 3.36Å; F2426-F2531 HydrophobicContact CB-CD1 3.73Å; F2426-F2531 HydrophobicContact CB-CD2 4.32Å; F2426-F2531 HydrophobicContact CB-CE1 3.33Å; F2426-F2531 HydrophobicContact CB-CE2 3.96Å; F2426-F2531 HydrophobicContact CB-CG 4.21Å; F2426-F2531 HydrophobicContact CB-CZ 3.45Å; F2426-F2531 VanDerWaalsContact CB-CZ 3.45Å; F2426-F2531 AromaticContact CD1-CD1 3.94Å; F2426-F2531 HydrophobicContact CD1-CD1 3.99Å; F2426-F2531 AromaticContact CD1-CE1 3.84Å; F2426-F2531 HydrophobicContact CD1-CE1 3.84Å; F2426-F2531 HydrophobicContact CG-CD1 4.23Å; F2426-F2531 AromaticContact CG-CE1 3.75Å; F2426-F2531 HydrophobicContact CG-CE1 3.75Å; F2426-F2531 HydrophobicContact CG-CZ 4.24Å; F2426-F2531 PolarHBondContact N-O 2.97Å; F2426-F2531 PolarHBondContact O-N 3.06Å
2427	K	85.7	Confident	78.3	Confident	24.75 Å²	24.75	26.7 Å²	26.7	11%	0.108	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.4	175.6	-172	-170.9	172.1	-170.8	0	107.7	Y2395 K2398 N2399 E2400 E2401 S2429 D2527	Y2395-K2427 HydrophobicContact CD1-CD 4.44Å; Y2395-K2427 HydrophobicContact CD1-CG 4.23Å; Y2395-K2427 HydrophobicContact CE1-CB 4.3Å; Y2395-K2427 HydrophobicContact CE1-CD 4.02Å; Y2395-K2427 HydrophobicContact CE1-CG 3.99Å; Y2395-K2427 HydrophobicContact CE2-CB 4.43Å; K2398-K2427 PolarHBondContact O-NZ 3.22Å; N2399-K2427 VanDerWaalsContact C-NZ 3.3Å; N2399-K2427 PolarHBondContact O-NZ 2.84Å; N2399-K2427 VanDerWaalsContact O-NZ 3.16Å; E2400-K2427 WeakPolarHBondContact O-CD 3.38Å; E2400-K2427 PolarHBondContact O-NZ 2.87Å; E2401-K2427 HydrophobicContact CG-CD 4.44Å; K2427-S2429 PolarHBondContact O-N 2.8Å; K2427-D2527 WeakPolarHBondContact CE-OD1 3.27Å; K2427-D2527 IonicContact NZ-OD1 3.17Å; K2427-D2527 PolarHBondContact NZ-OD1 2.89Å
2428	Y	83.1	Confident	78.4	Confident	5 Å²	5	23.6 Å²	23.6	2%	0.02	12%	0.122	C	C	.	.			trans	-66.7	133.5	170.3	-77	-113.7	0	0	0	108.8	F2426 L2460 Y2461 T2521 S2522 V2524 Y2529	F2426-Y2428 HydrophobicContact CD1-CD2 4.37Å; F2426-Y2428 HydrophobicContact CD1-CE2 4.43Å; F2426-Y2428 AromaticContact CE1-CD2 3.75Å; F2426-Y2428 HydrophobicContact CE1-CD2 3.75Å; F2426-Y2428 AromaticContact CE1-CE2 3.85Å; F2426-Y2428 HydrophobicContact CE1-CE2 3.85Å; F2426-Y2428 HydrophobicContact CE1-CG 4.31Å; Y2428-L2460 HydrophobicContact CE2-CD2 4.41Å; Y2428-Y2461 PolarHBondContact OH-N 2.95Å; Y2428-T2521 HydrophobicContact CE1-CG2 3.87Å; Y2428-T2521 HydrophobicContact CE2-CG2 4.17Å; Y2428-T2521 WeakPolarHBondContact OH-CG2 3.37Å; Y2428-S2522 WeakPolarHBondContact CD1-O 3.38Å; Y2428-S2522 WeakPolarHBondContact CE1-O 3.33Å; Y2428-V2524 HydrophobicContact CD1-CB 3.88Å; Y2428-V2524 HydrophobicContact CD1-CG2 3.73Å; Y2428-V2524 HydrophobicContact CE1-CG2 4.06Å; Y2428-V2524 HydrophobicContact CG-CB 4.4Å; Y2428-Y2529 VanDerWaalsContact CD2-C 3.44Å; Y2428-Y2529 VanDerWaalsContact CD2-CB 3.45Å; Y2428-Y2529 VanDerWaalsContact CD2-O 3.32Å; Y2428-Y2529 WeakPolarHBondContact CD2-O 3.42Å; Y2428-Y2529 PolarHBondContact N-O 3.04Å
2429	S	72.4	Confident	78.6	Confident	16.75 Å²	16.75	24.5 Å²	24.5	12%	0.117	13%	0.127	C	C	.	.			trans	-119.5	144.2	175.8	-179.6	0	0	0	0	109.8	E2401 K2427 W2431 H2436 V2524	E2401-S2429 VanDerWaalsContact OE1-CB 3.26Å; E2401-S2429 WeakPolarHBondContact OE1-CB 3.42Å; E2401-S2429 PolarHBondContact OE1-OG 2.99Å; K2427-S2429 PolarHBondContact O-N 2.8Å; S2429-W2431 VanDerWaalsContact C-N 3.33Å; S2429-W2431 VanDerWaalsContact OG-CB 3.27Å; S2429-W2431 WeakPolarHBondContact OG-CB 3.42Å; S2429-W2431 PolarHBondContact OG-N 2.96Å; S2429-W2431 VanDerWaalsContact OG-N 3.12Å; S2429-H2436 PolarHBondContact O-NE2 3.02Å; S2429-V2524 CarbonylContact C-O 3.53Å; S2429-V2524 VanDerWaalsContact C-O 3.23Å
2430	S	65.7	Low	79	Confident	4.75 Å²	4.75	22.6 Å²	22.6	3%	0.033	12%	0.117	C	C	.	.	S	Bend	trans	-87.3	-19	169.5	51.6	0	0	0	0	112.8	C2179 N2180 L2432 N2433 V2524	C2179-S2430 WeakPolarHBondContact O-CB 3.4Å; C2179-S2430 PolarHBondContact O-OG 3.24Å; N2180-S2430 PolarHBondContact OD1-O 3.28Å; N2180-S2430 VanDerWaalsContact OD1-O 3.08Å; S2430-L2432 VanDerWaalsContact C-N 3.26Å; S2430-L2432 CarbonylContact O-C 3.56Å; S2430-L2432 PolarHBondContact O-N 3.1Å; S2430-N2433 PolarHBondContact O-N 2.82Å; S2430-V2524 PolarHBondContact N-O 2.83Å; S2430-V2524 VanDerWaalsContact N-O 3.09Å
2431	W	57.9	Low	79.7	Confident	76 Å²	76	22.3 Å²	22.3	29%	0.288	12%	0.116	S	C	.	.	S	Bend	trans	-55.4	-26	-168	-135.2	75.1	0	0	0	113.4	Y1795 K1821 W1860 N2180 F2182 E2401 S2429	Y1795-W2431 PolarHBondContact OH-O 2.94Å; K1821-W2431 HydrophobicContact CD-CZ3 4.24Å; K1821-W2431 PolarHBondContact NZ-O 2.93Å; W1860-W2431 HydrophobicContact CD2-CH2 4.14Å; W1860-W2431 AromaticContact CE3-CH2 3.34Å; W1860-W2431 HydrophobicContact CE3-CH2 3.34Å; W1860-W2431 HydrophobicContact CE3-CZ2 4.31Å; W1860-W2431 AromaticContact CE3-CZ3 3.86Å; W1860-W2431 HydrophobicContact CE3-CZ3 3.86Å; W1860-W2431 HydrophobicContact CH2-CH2 4.1Å; W1860-W2431 AromaticContact CH2-CZ3 3.95Å; W1860-W2431 HydrophobicContact CH2-CZ3 3.95Å; W1860-W2431 HydrophobicContact CZ3-CE3 4.49Å; W1860-W2431 AromaticContact CZ3-CH2 3.33Å; W1860-W2431 HydrophobicContact CZ3-CH2 3.33Å; W1860-W2431 HydrophobicContact CZ3-CZ2 4.45Å; W1860-W2431 AromaticContact CZ3-CZ3 3.31Å; W1860-W2431 HydrophobicContact CZ3-CZ3 3.31Å; N2180-W2431 PolarHBondContact ND2-O 2.99Å; N2180-W2431 VanDerWaalsContact OD1-CA 3.28Å; N2180-W2431 WeakPolarHBondContact OD1-CA 3.37Å; N2180-W2431 PolarHBondContact OD1-N 3.24Å; F2182-W2431 AromaticContact CE2-NE1 3.77Å; E2401-W2431 WeakPolarHBondContact OE1-CB 3.16Å; E2401-W2431 PolarHBondContact OE1-NE1 2.88Å; E2401-W2431 VanDerWaalsContact OE1-NE1 3.12Å; S2429-W2431 VanDerWaalsContact C-N 3.33Å; S2429-W2431 VanDerWaalsContact OG-CB 3.27Å; S2429-W2431 WeakPolarHBondContact OG-CB 3.42Å; S2429-W2431 PolarHBondContact OG-N 2.96Å; S2429-W2431 VanDerWaalsContact OG-N 3.12Å
2432	L	53.7	Low	80.3	Confident	44.25 Å²	44.25	20 Å²	20	23%	0.232	11%	0.107	C	C	.	.	S	Bend	trans	-110.6	96.6	179	-57	166.1	0	0	0	111	Y1795 K1821 D1823 S2430 G2434 H2436 S2523	Y1795-L2432 WeakPolarHBondContact CE1-O 3.42Å; K1821-L2432 HydrophobicContact CD-CD1 4.24Å; K1821-L2432 HydrophobicContact CG-CD1 4.35Å; D1823-L2432 HydrophobicContact CB-CB 4.05Å; D1823-L2432 HydrophobicContact CB-CD1 4.07Å; D1823-L2432 HydrophobicContact CB-CD2 4.29Å; D1823-L2432 HydrophobicContact CB-CG 4.33Å; D1823-L2432 VanDerWaalsContact CG-CD1 3.46Å; D1823-L2432 WeakPolarHBondContact OD1-CD2 3.43Å; D1823-L2432 WeakPolarHBondContact OD2-CB 3.39Å; D1823-L2432 WeakPolarHBondContact OD2-CD1 3.32Å; D1823-L2432 WeakPolarHBondContact OD2-CG 3.42Å; S2430-L2432 VanDerWaalsContact C-N 3.26Å; S2430-L2432 CarbonylContact O-C 3.56Å; S2430-L2432 PolarHBondContact O-N 3.1Å; L2432-G2434 WeakPolarHBondContact O-CA 3.29Å; L2432-G2434 PolarHBondContact O-N 3.03Å; L2432-H2436 WeakPolarHBondContact CB-CE1 3.33Å; L2432-H2436 PolarHBondContact O-CE1 2.99Å; L2432-H2436 PolarHBondContact O-NE2 3.31Å; L2432-S2523 PolarHBondContact O-OG 3.04Å
2433	N	55.4	Low	80.5	Confident	77.25 Å²	77.25	25 Å²	25	41%	0.413	13%	0.125	S	C	.	.	S	Bend	trans	-48.7	41.5	177	-86.2	-31.4	0	0	0	114.9	R2190 S2430	R2190-N2433 HydrophobicContact CB-CB 4.17Å; R2190-N2433 VanDerWaalsContact CB-OD1 3.23Å; R2190-N2433 WeakPolarHBondContact CB-OD1 3.36Å; R2190-N2433 HydrophobicContact CG-CB 4.46Å; R2190-N2433 PolarHBondContact NH1-O 3.25Å; S2430-N2433 PolarHBondContact O-N 2.82Å
2434	G	65.8	Low	80.6	Confident	19 Å²	19	25 Å²	25	20%	0.196	13%	0.125	C	C	.	.	S	Bend	trans	-149.2	-163.8	-165.9	0	0	0	0	0	115.5	L2432 S2523	L2432-G2434 WeakPolarHBondContact O-CA 3.29Å; L2432-G2434 PolarHBondContact O-N 3.03Å; G2434-S2523 PolarHBondContact N-OG 3.3Å; G2434-S2523 VanDerWaalsContact O-CB 3.25Å; G2434-S2523 WeakPolarHBondContact O-CB 3.37Å; G2434-S2523 PolarHBondContact O-N 3.02Å; G2434-S2523 PolarHBondContact O-OG 3Å
2435	I	72.5	Confident	80.4	Confident	55.25 Å²	55.25	28.4 Å²	28.4	28%	0.283	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.2	170.2	-63.8	164.4	0	0	0	106.6	E1668 F1722 I2466 H2520 T2521	E1668-I2435 HydrophobicContact CG-CD1 4.12Å; F1722-I2435 HydrophobicContact CD2-CD1 4.21Å; F1722-I2435 HydrophobicContact CE1-CG2 3.87Å; F1722-I2435 HydrophobicContact CE2-CB 3.78Å; F1722-I2435 HydrophobicContact CE2-CD1 3.85Å; F1722-I2435 HydrophobicContact CE2-CG1 4.41Å; F1722-I2435 HydrophobicContact CE2-CG2 3.97Å; F1722-I2435 HydrophobicContact CZ-CB 3.61Å; F1722-I2435 HydrophobicContact CZ-CD1 4.39Å; F1722-I2435 HydrophobicContact CZ-CG2 3.39Å; I2435-I2466 HydrophobicContact CD1-CD1 4.13Å; I2435-I2466 HydrophobicContact CD1-CG2 4.29Å; I2435-I2466 HydrophobicContact CG1-CD1 4.11Å; I2435-H2520 WeakPolarHBondContact CG2-CE1 3.15Å; I2435-H2520 VanDerWaalsContact CG2-NE2 3.33Å; I2435-H2520 WeakPolarHBondContact CG2-NE2 3.31Å; I2435-T2521 CarbonylContact C-O 3.55Å; I2435-T2521 WeakPolarHBondContact CA-O 3.36Å; I2435-T2521 WeakPolarHBondContact CG2-O 3.39Å
2436	H	79.6	Confident	80.1	Confident	13.75 Å²	13.75	30.9 Å²	30.9	6%	0.064	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115	177.1	-58.6	-75.3	0	0	0	109.4	D1823 S2429 L2432 H2520 T2521	D1823-H2436 PolarHBondContact O-ND1 3.06Å; D1823-H2436 IonicContact OD2-CE1 3.06Å; S2429-H2436 PolarHBondContact O-NE2 3.02Å; L2432-H2436 WeakPolarHBondContact CB-CE1 3.33Å; L2432-H2436 PolarHBondContact O-CE1 2.99Å; L2432-H2436 PolarHBondContact O-NE2 3.31Å; H2436-H2520 CarbonylContact O-C 3.6Å; H2436-H2520 WeakPolarHBondContact O-CA 3.2Å; H2436-T2521 WeakPolarHBondContact CB-OG1 3.29Å; H2436-T2521 PolarHBondContact N-O 3.07Å; H2436-T2521 PolarHBondContact O-N 3.04Å; H2436-T2521 PolarHBondContact O-OG1 3.26Å; H2436-T2521 VanDerWaalsContact O-OG1 3.06Å
2437	S	86.5	Confident	79.8	Confident	21.75 Å²	21.75	35.3 Å²	35.3	15%	0.152	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.7	172.7	-69	0	0	0	0	108.8	G1824 Q1825 Y2518 V2519 H2520	G1824-S2437 CarbonylContact C-O 3.56Å; G1824-S2437 WeakPolarHBondContact CA-O 3.33Å; Q1825-S2437 PolarHBondContact N-O 2.93Å; S2437-Y2518 PolarHBondContact OG-OH 3.16Å; S2437-V2519 CarbonylContact C-O 3.56Å; S2437-V2519 VanDerWaalsContact CA-O 3.25Å; S2437-V2519 WeakPolarHBondContact CA-O 3.35Å; S2437-H2520 PolarHBondContact OG-CD2 3.08Å; S2437-H2520 VanDerWaalsContact OG-CD2 3.25Å; S2437-H2520 PolarHBondContact OG-ND1 3.12Å
2438	C	90.4	Very high	79.7	Confident	4.75 Å²	4.75	37 Å²	37	3%	0.032	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.4	-179.5	-43.1	0	0	0	0	111.5	M2409 C2410 Y2518 V2519	M2409-C2438 VanDerWaalsContact CE-O 3.27Å; M2409-C2438 WeakPolarHBondContact CE-O 3.41Å; M2409-C2438 HydrophobicContact CG-CB 4.16Å; C2410-C2438 VanDerWaalsContact CA-SG 3.58Å; C2410-C2438 WeakPolarHBondContact CA-SG 3.39Å; C2410-C2438 HydrophobicContact CB-CB 3.95Å; C2410-C2438 WeakPolarHBondContact CB-SG 3.26Å; C2410-C2438 WeakPolarHBondContact SG-CB 3.39Å; C2410-C2438 CovalentContact SG-SG 2.04Å; C2410-C2438 PolarHBondContact SG-SG 2.8Å; C2438-Y2518 WeakPolarHBondContact O-CA 3.25Å; C2438-V2519 PolarHBondContact N-O 3.01Å; C2438-V2519 PolarHBondContact O-N 3.03Å
2439	T	90.6	Very high	79.9	Confident	17.75 Å²	17.75	38.9 Å²	38.9	11%	0.109	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.7	-175.6	-39.8	0	0	0	0	110	Q1825 S1826 Q2478 V2517 Y2518	Q1825-T2439 PolarHBondContact OE1-O 3.13Å; Q1825-T2439 VanDerWaalsContact OE1-O 3.07Å; S1826-T2439 WeakPolarHBondContact O-CB 3.4Å; S1826-T2439 PolarHBondContact O-OG1 2.91Å; S1826-T2439 VanDerWaalsContact O-OG1 3.04Å; T2439-Q2478 VanDerWaalsContact CG2-NE2 3.25Å; T2439-V2517 CarbonylContact C-O 3.41Å; T2439-V2517 VanDerWaalsContact CA-O 3.31Å; T2439-V2517 WeakPolarHBondContact CA-O 3.27Å; T2439-Y2518 HydrophobicContact CG2-CD2 3.38Å; T2439-Y2518 HydrophobicContact CG2-CE2 4.1Å; T2439-Y2518 HydrophobicContact CG2-CG 4.02Å; T2439-Y2518 WeakPolarHBondContact OG1-CD2 3.27Å
2440	K	92.3	Very high	80.6	Confident	0.5 Å²	0.5	40.2 Å²	40.2	0%	0.002	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.3	174.6	-86.5	-86.5	-161.5	-138.9	0	111	I2407 P2408 M2409 S2411 E2413 I2416 F2442 S2516 V2517	I2407-K2440 HydrophobicContact CG2-CD 4.28Å; P2408-K2440 VanDerWaalsContact O-CE 3.23Å; P2408-K2440 WeakPolarHBondContact O-CE 3.18Å; M2409-K2440 HydrophobicContact CE-CB 3.63Å; M2409-K2440 HydrophobicContact CE-CG 3.51Å; M2409-K2440 VanDerWaalsContact CE-CG 3.47Å; M2409-K2440 WeakPolarHBondContact O-CE 3.35Å; M2409-K2440 VanDerWaalsContact O-CG 3.3Å; M2409-K2440 WeakPolarHBondContact O-CG 3.41Å; M2409-K2440 PolarHBondContact O-NZ 3.4Å; M2409-K2440 HydrophobicContact SD-CB 3.88Å; M2409-K2440 HydrophobicContact SD-CD 4Å; M2409-K2440 HydrophobicContact SD-CG 3.78Å; M2409-K2440 VanDerWaalsContact SD-CG 3.52Å; S2411-K2440 VanDerWaalsContact C-NZ 3.31Å; S2411-K2440 WeakPolarHBondContact O-CE 3.35Å; S2411-K2440 PolarHBondContact O-NZ 2.85Å; S2411-K2440 VanDerWaalsContact OG-CE 3.3Å; S2411-K2440 WeakPolarHBondContact OG-CE 3.36Å; S2411-K2440 PolarHBondContact OG-NZ 3.13Å; E2413-K2440 WeakPolarHBondContact O-CD 3.41Å; E2413-K2440 WeakPolarHBondContact O-CE 3.36Å; E2413-K2440 PolarHBondContact O-NZ 3.12Å; I2416-K2440 HydrophobicContact CD1-CD 3.82Å; I2416-K2440 HydrophobicContact CD1-CG 4.01Å; I2416-K2440 HydrophobicContact CG1-CD 4.44Å; K2440-F2442 HydrophobicContact CB-CD2 4.36Å; K2440-F2442 HydrophobicContact CB-CE2 3.77Å; K2440-F2442 VanDerWaalsContact CB-CE2 3.48Å; K2440-F2442 HydrophobicContact CB-CZ 4Å; K2440-F2442 HydrophobicContact CD-CE1 4.08Å; K2440-F2442 HydrophobicContact CD-CE2 4.15Å; K2440-F2442 HydrophobicContact CD-CZ 3.51Å; K2440-F2442 HydrophobicContact CG-CE1 4.32Å; K2440-F2442 HydrophobicContact CG-CE2 4.17Å; K2440-F2442 HydrophobicContact CG-CZ 4.15Å; K2440-S2516 CarbonylContact O-C 3.46Å; K2440-S2516 WeakPolarHBondContact O-CA 3.36Å; K2440-V2517 PolarHBondContact N-O 3.3Å; K2440-V2517 PolarHBondContact O-N 3.03Å
2441	V	92.4	Very high	81.7	Confident	6.25 Å²	6.25	40 Å²	40	4%	0.038	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122	174.8	-176.1	0	0	0	0	107.8	K2414 V2415 I2416 V2476	K2414-V2441 PolarHBondContact O-N 3.15Å; V2415-V2441 CarbonylContact C-O 3.55Å; V2415-V2441 VanDerWaalsContact CA-O 3.3Å; V2415-V2441 WeakPolarHBondContact CA-O 3.36Å; V2415-V2441 HydrophobicContact CG1-CB 4.39Å; V2415-V2441 HydrophobicContact CG1-CG1 4.4Å; V2415-V2441 HydrophobicContact CG2-CB 4.27Å; I2416-V2441 PolarHBondContact N-O 3.1Å; V2441-V2476 HydrophobicContact CG1-CG1 4.41Å; V2441-V2476 HydrophobicContact CG1-CG2 3.89Å; V2441-V2476 HydrophobicContact CG2-CG1 4.29Å; V2441-V2476 HydrophobicContact CG2-CG2 4.28Å
2442	F	93.5	Very high	83.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.7	174	-59.3	-87.7	0	0	0	108.7	I2407 I2416 V2418 V2424 K2440 L2451 W2453 E2514 F2515 V2517 I2535	I2407-F2442 HydrophobicContact CG2-CE1 4.5Å; I2416-F2442 HydrophobicContact CB-CD1 3.9Å; I2416-F2442 HydrophobicContact CB-CE1 4.17Å; I2416-F2442 HydrophobicContact CD1-CD1 4.27Å; I2416-F2442 HydrophobicContact CD1-CE1 3.69Å; I2416-F2442 HydrophobicContact CD1-CZ 4.16Å; I2416-F2442 HydrophobicContact CG1-CE1 4.35Å; I2416-F2442 HydrophobicContact CG2-CD1 4.05Å; I2416-F2442 HydrophobicContact CG2-CE1 4.27Å; I2416-F2442 CarbonylContact O-C 3.55Å; I2416-F2442 VanDerWaalsContact O-CA 3.31Å; I2416-F2442 WeakPolarHBondContact O-CA 3.26Å; V2418-F2442 HydrophobicContact CG2-CB 4.1Å; V2418-F2442 HydrophobicContact CG2-CD1 3.96Å; V2418-F2442 HydrophobicContact CG2-CG 4.48Å; V2424-F2442 HydrophobicContact CG1-CZ 4.28Å; V2424-F2442 HydrophobicContact CG2-CE1 3.71Å; V2424-F2442 HydrophobicContact CG2-CZ 3.56Å; K2440-F2442 HydrophobicContact CB-CD2 4.36Å; K2440-F2442 HydrophobicContact CB-CE2 3.77Å; K2440-F2442 VanDerWaalsContact CB-CE2 3.48Å; K2440-F2442 HydrophobicContact CB-CZ 4Å; K2440-F2442 HydrophobicContact CD-CE1 4.08Å; K2440-F2442 HydrophobicContact CD-CE2 4.15Å; K2440-F2442 HydrophobicContact CD-CZ 3.51Å; K2440-F2442 HydrophobicContact CG-CE1 4.32Å; K2440-F2442 HydrophobicContact CG-CE2 4.17Å; K2440-F2442 HydrophobicContact CG-CZ 4.15Å; F2442-L2451 HydrophobicContact CB-CD1 4.07Å; F2442-L2451 VanDerWaalsContact O-CD1 3.3Å; F2442-L2451 WeakPolarHBondContact O-CD1 3.43Å; F2442-W2453 HydrophobicContact CD2-CZ3 4.48Å; F2442-W2453 HydrophobicContact CE2-CE3 4.42Å; F2442-W2453 AromaticContact CE2-CZ3 3.78Å; F2442-W2453 HydrophobicContact CE2-CZ3 3.84Å; F2442-W2453 AromaticContact CZ-CZ3 3.98Å; F2442-W2453 HydrophobicContact CZ-CZ3 4.18Å; F2442-E2514 CarbonylContact O-C 3.53Å; F2442-E2514 VanDerWaalsContact O-CA 3.3Å; F2442-E2514 WeakPolarHBondContact O-CA 3.41Å; F2442-F2515 HydrophobicContact CB-CB 4.48Å; F2442-F2515 HydrophobicContact CD2-CD1 4.31Å; F2442-F2515 PolarHBondContact N-O 2.88Å; F2442-F2515 PolarHBondContact O-N 3.1Å; F2442-V2517 HydrophobicContact CD2-CG2 4.21Å; F2442-V2517 HydrophobicContact CE2-CB 4.42Å; F2442-V2517 HydrophobicContact CE2-CG2 3.94Å; F2442-I2535 HydrophobicContact CB-CD1 3.52Å; F2442-I2535 VanDerWaalsContact CB-CD1 3.48Å; F2442-I2535 HydrophobicContact CD1-CD1 3.85Å; F2442-I2535 HydrophobicContact CD1-CG2 3.97Å; F2442-I2535 HydrophobicContact CD2-CD1 3.63Å; F2442-I2535 HydrophobicContact CE1-CD1 3.48Å; F2442-I2535 VanDerWaalsContact CE1-CD1 3.48Å; F2442-I2535 HydrophobicContact CE1-CG2 4.16Å; F2442-I2535 HydrophobicContact CE2-CD1 3.94Å; F2442-I2535 VanDerWaalsContact CE2-CD1 3.41Å; F2442-I2535 HydrophobicContact CG-CD1 3.39Å; F2442-I2535 VanDerWaalsContact CG-CD1 3.43Å; F2442-I2535 HydrophobicContact CG-CG2 4.43Å; F2442-I2535 HydrophobicContact CZ-CD1 3.51Å
2443	R	92	Very high	84.8	Confident	115.5 Å²	115.5	34.6 Å²	34.6	44%	0.436	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	134	178.9	177.8	-179	-95.3	161.7	-5.7	109.1	I2416 S2417 V2418 T2445 D2513 E2514	I2416-R2443 PolarHBondContact O-N 2.99Å; S2417-R2443 CarbonylContact C-O 3.55Å; S2417-R2443 VanDerWaalsContact CA-O 3.29Å; S2417-R2443 WeakPolarHBondContact CA-O 3.31Å; V2418-R2443 PolarHBondContact N-O 2.94Å; R2443-T2445 PolarHBondContact O-N 2.97Å; R2443-D2513 CarbonylContact C-O 3.52Å; R2443-E2514 HydrophobicContact CB-CG 4.15Å; R2443-E2514 HydrophobicContact CG-CG 3.98Å; R2443-E2514 IonicContact CZ-OE1 3.33Å; R2443-E2514 IonicContact NE-OE1 3.08Å; R2443-E2514 PolarHBondContact NE-OE1 3.19Å; R2443-E2514 IonicContact NH1-OE1 2.74Å; R2443-E2514 PolarHBondContact NH1-OE1 3.19Å; R2443-E2514 VanDerWaalsContact NH1-OE1 3.12Å; R2443-E2514 IonicContact NH2-OE1 2.79Å; R2443-E2514 PolarHBondContact NH2-OE1 2.91Å
2444	S	90.1	Very high	86.2	Confident	4 Å²	4	31.7 Å²	31.7	3%	0.028	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.4	171.1	-176.5	0	0	0	0	110.4	V2418 I2446 D2513	V2418-S2444 CarbonylContact O-C 3.24Å; V2418-S2444 WeakPolarHBondContact O-CA 3.43Å; S2444-I2446 WeakPolarHBondContact CB-O 3.38Å; S2444-I2446 PolarHBondContact O-N 3.02Å; S2444-I2446 PolarHBondContact OG-N 3.37Å; S2444-I2446 PolarHBondContact OG-O 3.1Å; S2444-D2513 PolarHBondContact N-O 2.84Å
2445	T	87.4	Confident	87.2	Confident	70.25 Å²	70.25	30.9 Å²	30.9	43%	0.431	17%	0.174	S	C	.	.	S	Bend	trans	-63.7	-27.6	173.1	-34.6	0	0	0	0	111.7	V2418 L2419 R2443	V2418-T2445 VanDerWaalsContact C-OG1 3.3Å; V2418-T2445 PolarHBondContact O-N 3.17Å; V2418-T2445 PolarHBondContact O-OG1 3.12Å; V2418-T2445 VanDerWaalsContact O-OG1 3.09Å; L2419-T2445 WeakPolarHBondContact CA-OG1 3.37Å; L2419-T2445 HydrophobicContact CB-CG2 4.1Å; L2419-T2445 VanDerWaalsContact CB-OG1 3.24Å; L2419-T2445 WeakPolarHBondContact CB-OG1 3.38Å; L2419-T2445 HydrophobicContact CD1-CG2 3.99Å; L2419-T2445 WeakPolarHBondContact CD1-OG1 3.26Å; L2419-T2445 WeakPolarHBondContact CG-OG1 3.4Å; L2419-T2445 PolarHBondContact N-OG1 3.13Å; R2443-T2445 PolarHBondContact O-N 2.97Å
2446	I	85.1	Confident	87.9	Confident	60.25 Å²	60.25	28.3 Å²	28.3	31%	0.309	16%	0.16	S	C	.	.	S	Bend	trans	-103	110.9	175.3	-63.9	167.5	0	0	0	107.5	L2419 S2444 R2449	L2419-I2446 HydrophobicContact CD1-CD1 3.96Å; L2419-I2446 HydrophobicContact CD1-CG1 4.17Å; S2444-I2446 WeakPolarHBondContact CB-O 3.38Å; S2444-I2446 PolarHBondContact O-N 3.02Å; S2444-I2446 PolarHBondContact OG-N 3.37Å; S2444-I2446 PolarHBondContact OG-O 3.1Å; I2446-R2449 HydrophobicContact CB-CG 4.31Å; I2446-R2449 VanDerWaalsContact CD1-CZ 3.48Å; I2446-R2449 HydrophobicContact CG2-CG 4.07Å; I2446-R2449 PolarHBondContact O-N 3.06Å
2447	P	83.7	Confident	88.4	Confident	104.25 Å²	104.25	27.7 Å²	27.7	68%	0.677	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	144.5	-176.2	13	-18.4	0	0	0	111.8	R2449 D2513	P2447-R2449 VanDerWaalsContact C-N 3.27Å; P2447-R2449 PolarHBondContact O-N 3.13Å; P2447-D2513 VanDerWaalsContact CA-OD2 3.23Å; P2447-D2513 WeakPolarHBondContact CA-OD2 3.32Å
2448	G	83.6	Confident	88.5	Confident	58.75 Å²	58.75	27 Å²	27	61%	0.606	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	79	-2.2	-178.8	0	0	0	0	0	115.9	D2513	G2448-D2513 PolarHBondContact N-OD2 3Å
2449	R	86.4	Confident	88.4	Confident	45.25 Å²	45.25	27.9 Å²	27.9	17%	0.171	16%	0.157	C	C	.	.			trans	-80.5	134	166.2	-73.6	-167.1	-177.8	173.5	3.8	110.6	D2420 I2446 P2447 D2513 S2537 L2538 P2539 S2541	D2420-R2449 IonicContact OD1-NH1 3.24Å; I2446-R2449 HydrophobicContact CB-CG 4.31Å; I2446-R2449 VanDerWaalsContact CD1-CZ 3.48Å; I2446-R2449 HydrophobicContact CG2-CG 4.07Å; I2446-R2449 PolarHBondContact O-N 3.06Å; P2447-R2449 VanDerWaalsContact C-N 3.27Å; P2447-R2449 PolarHBondContact O-N 3.13Å; R2449-D2513 VanDerWaalsContact O-CA 3.28Å; R2449-D2513 WeakPolarHBondContact O-CA 3.36Å; R2449-D2513 WeakPolarHBondContact O-CB 3.39Å; R2449-S2537 PolarHBondContact NH1-OG 2.98Å; R2449-S2537 VanDerWaalsContact NH1-OG 3.13Å; R2449-L2538 WeakPolarHBondContact CB-O 3.5Å; R2449-P2539 WeakPolarHBondContact CD-O 3.44Å; R2449-P2539 PolarHBondContact NE-O 2.98Å; R2449-P2539 PolarHBondContact NH1-O 3.23Å; R2449-S2541 PolarHBondContact NH1-OG 2.98Å; R2449-S2541 PolarHBondContact NH2-OG 3.23Å
2450	R	87.4	Confident	88.3	Confident	45 Å²	45	27.1 Å²	27.1	17%	0.17	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	155.1	174.6	-65	-176.7	-38.2	-171.6	2.4	110.4	D2340 I2507 T2508 S2537 L2538	D2340-R2450 VanDerWaalsContact CG-NH2 3.34Å; D2340-R2450 IonicContact OD1-NH2 3.83Å; D2340-R2450 PolarHBondContact OD1-NH2 3.19Å; D2340-R2450 IonicContact OD2-CZ 3.69Å; D2340-R2450 IonicContact OD2-NH1 3.87Å; D2340-R2450 IonicContact OD2-NH2 3.12Å; D2340-R2450 PolarHBondContact OD2-NH2 3.05Å; D2340-R2450 VanDerWaalsContact OD2-NH2 3.14Å; R2450-I2507 HydrophobicContact CB-CG2 4.29Å; R2450-I2507 VanDerWaalsContact NE-CG2 3.32Å; R2450-I2507 VanDerWaalsContact NH2-CG2 3.31Å; R2450-T2508 VanDerWaalsContact CA-OG1 3.3Å; R2450-T2508 WeakPolarHBondContact CA-OG1 3.34Å; R2450-T2508 VanDerWaalsContact CB-OG1 3.31Å; R2450-T2508 WeakPolarHBondContact CB-OG1 3.37Å; R2450-T2508 WeakPolarHBondContact CD-O 3.34Å; R2450-T2508 VanDerWaalsContact CZ-O 3.27Å; R2450-T2508 PolarHBondContact NE-O 3.14Å; R2450-T2508 PolarHBondContact NH2-O 2.88Å; R2450-S2537 WeakPolarHBondContact O-CA 3.4Å; R2450-L2538 HydrophobicContact CB-CB 4.4Å; R2450-L2538 PolarHBondContact N-O 3.1Å; R2450-L2538 PolarHBondContact O-N 3.16Å
2451	L	89.7	Confident	87.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.5	171.8	-64.5	175	0	0	0	109.9	V2418 F2442 I2507 T2508 D2513 F2515 I2535 I2536	V2418-L2451 HydrophobicContact CB-CD2 4.22Å; V2418-L2451 HydrophobicContact CG1-CD2 4.3Å; F2442-L2451 HydrophobicContact CB-CD1 4.07Å; F2442-L2451 VanDerWaalsContact O-CD1 3.3Å; F2442-L2451 WeakPolarHBondContact O-CD1 3.43Å; L2451-I2507 WeakPolarHBondContact O-CA 3.37Å; L2451-I2507 WeakPolarHBondContact O-CG2 3.36Å; L2451-T2508 HydrophobicContact CB-CG2 4.08Å; L2451-T2508 PolarHBondContact N-OG1 3.17Å; L2451-T2508 VanDerWaalsContact N-OG1 3.08Å; L2451-T2508 PolarHBondContact O-N 3.11Å; L2451-T2508 PolarHBondContact O-OG1 3.16Å; L2451-D2513 WeakPolarHBondContact CD1-O 3.45Å; L2451-F2515 HydrophobicContact CB-CB 4.08Å; L2451-F2515 HydrophobicContact CD1-CB 3.84Å; L2451-I2535 HydrophobicContact CB-CD1 4.31Å; L2451-I2535 HydrophobicContact CB-CG1 4.41Å; L2451-I2535 HydrophobicContact CB-CG2 4.37Å; L2451-I2535 HydrophobicContact CD1-CD1 4.26Å; L2451-I2535 HydrophobicContact CD2-CG1 4.5Å; L2451-I2535 HydrophobicContact CD2-CG2 4.27Å; L2451-I2536 CarbonylContact C-O 3.35Å; L2451-I2536 WeakPolarHBondContact CA-O 3.21Å
2452	A	85.9	Confident	87.5	Confident	7.75 Å²	7.75	35 Å²	35	6%	0.064	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.6	173.5	0	0	0	0	0	110	T2505 F2506 I2507 I2535 I2536 L2538	A2452-T2505 HydrophobicContact CB-CG2 4.47Å; A2452-F2506 CarbonylContact C-O 3.52Å; A2452-F2506 WeakPolarHBondContact CA-O 3.31Å; A2452-I2507 HydrophobicContact CB-CD1 4.47Å; A2452-I2507 HydrophobicContact CB-CG1 4.1Å; A2452-I2507 HydrophobicContact CB-CG2 4.4Å; A2452-I2535 CarbonylContact O-C 3.57Å; A2452-I2535 VanDerWaalsContact O-CA 3.28Å; A2452-I2535 WeakPolarHBondContact O-CA 3.29Å; A2452-I2536 PolarHBondContact N-O 3.2Å; A2452-I2536 PolarHBondContact O-N 2.98Å; A2452-L2538 HydrophobicContact CB-CD1 3.76Å; A2452-L2538 HydrophobicContact CB-CG 4.16Å
2453	W	89.5	Confident	86.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.2	172.9	176	-80.5	0	0	0	109.9	M2409 V2424 F2442 F2455 L2472 T2505 F2506 F2515 V2517 F2531 A2533 E2534 I2535	M2409-W2453 HydrophobicContact CE-CH2 3.3Å; M2409-W2453 HydrophobicContact CE-CZ2 4.05Å; M2409-W2453 HydrophobicContact CE-CZ3 3.98Å; V2424-W2453 HydrophobicContact CB-CH2 4.12Å; V2424-W2453 HydrophobicContact CB-CZ3 4.26Å; V2424-W2453 HydrophobicContact CG1-CH2 4.01Å; V2424-W2453 HydrophobicContact CG1-CZ3 4.37Å; V2424-W2453 HydrophobicContact CG2-CH2 4.4Å; V2424-W2453 HydrophobicContact CG2-CZ3 4.15Å; F2442-W2453 HydrophobicContact CD2-CZ3 4.48Å; F2442-W2453 HydrophobicContact CE2-CE3 4.42Å; F2442-W2453 AromaticContact CE2-CZ3 3.78Å; F2442-W2453 HydrophobicContact CE2-CZ3 3.84Å; F2442-W2453 AromaticContact CZ-CZ3 3.98Å; F2442-W2453 HydrophobicContact CZ-CZ3 4.18Å; W2453-F2455 AromaticContact CD1-CE2 3.68Å; W2453-F2455 AromaticContact CE2-CZ 3.9Å; W2453-F2455 HydrophobicContact CZ2-CE1 4.21Å; W2453-F2455 HydrophobicContact CZ2-CZ 4.32Å; W2453-F2455 AromaticContact NE1-CD2 3.8Å; W2453-F2455 AromaticContact NE1-CE1 3.57Å; W2453-F2455 AromaticContact NE1-CE2 3.19Å; W2453-F2455 VanDerWaalsContact NE1-CE2 3.26Å; W2453-F2455 AromaticContact NE1-CZ 3.09Å; W2453-L2472 HydrophobicContact CD2-CD2 4.43Å; W2453-L2472 HydrophobicContact CG-CD1 4.27Å; W2453-L2472 HydrophobicContact CG-CD2 4.44Å; W2453-T2505 CarbonylContact O-C 3.54Å; W2453-T2505 VanDerWaalsContact O-CA 3.26Å; W2453-T2505 WeakPolarHBondContact O-CA 3.31Å; W2453-F2506 PolarHBondContact N-O 2.97Å; W2453-F2506 PolarHBondContact O-N 3.07Å; W2453-F2515 HydrophobicContact CB-CD1 4.46Å; W2453-F2515 HydrophobicContact CB-CE1 3.49Å; W2453-F2515 VanDerWaalsContact CB-CE1 3.46Å; W2453-F2515 HydrophobicContact CB-CE2 4.11Å; W2453-F2515 HydrophobicContact CB-CZ 3.28Å; W2453-F2515 AromaticContact CD2-CE1 3.92Å; W2453-F2515 HydrophobicContact CD2-CE1 3.92Å; W2453-F2515 HydrophobicContact CD2-CZ 4.41Å; W2453-F2515 HydrophobicContact CE3-CD1 4.4Å; W2453-F2515 AromaticContact CE3-CE1 3.75Å; W2453-F2515 HydrophobicContact CE3-CE1 3.75Å; W2453-F2515 AromaticContact CG-CE1 3.85Å; W2453-F2515 HydrophobicContact CG-CE1 3.85Å; W2453-F2515 AromaticContact CG-CZ 3.87Å; W2453-F2515 HydrophobicContact CG-CZ 3.87Å; W2453-V2517 HydrophobicContact CD2-CG2 4.39Å; W2453-V2517 HydrophobicContact CE3-CG2 3.86Å; W2453-V2517 HydrophobicContact CH2-CG1 4.1Å; W2453-V2517 HydrophobicContact CH2-CG2 4.23Å; W2453-V2517 HydrophobicContact CZ2-CG1 4.37Å; W2453-V2517 HydrophobicContact CZ3-CB 4.36Å; W2453-V2517 HydrophobicContact CZ3-CG1 4.19Å; W2453-V2517 HydrophobicContact CZ3-CG2 3.76Å; W2453-F2531 AromaticContact CH2-CE2 3.86Å; W2453-F2531 HydrophobicContact CH2-CE2 3.86Å; W2453-F2531 HydrophobicContact CH2-CZ 4.34Å; W2453-F2531 HydrophobicContact CZ2-CD2 4.26Å; W2453-F2531 AromaticContact CZ2-CE2 3.65Å; W2453-F2531 HydrophobicContact CZ2-CE2 3.65Å; W2453-F2531 HydrophobicContact CZ2-CZ 4.24Å; W2453-A2533 HydrophobicContact CD2-CB 4.15Å; W2453-A2533 VanDerWaalsContact CE2-CB 3.45Å; W2453-A2533 HydrophobicContact CE3-CB 4.48Å; W2453-A2533 HydrophobicContact CH2-CB 3.74Å; W2453-A2533 HydrophobicContact CZ2-CB 3.24Å; W2453-A2533 HydrophobicContact CZ3-CB 4.35Å; W2453-E2534 CarbonylContact C-O 3.56Å; W2453-E2534 WeakPolarHBondContact CA-O 3.37Å; W2453-I2535 HydrophobicContact CD2-CG1 4.4Å; W2453-I2535 HydrophobicContact CE3-CB 4.35Å; W2453-I2535 HydrophobicContact CE3-CD1 4.18Å; W2453-I2535 HydrophobicContact CE3-CG1 3.55Å; W2453-I2535 HydrophobicContact CZ3-CD1 3.72Å; W2453-I2535 HydrophobicContact CZ3-CG1 4.07Å
2454	R	85	Confident	86	Confident	15.5 Å²	15.5	32.4 Å²	32.4	6%	0.058	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.9	179.4	174.6	179	176.2	170.7	12.2	111.6	S2336 D2337 L2456 Y2504 T2505 A2533 E2534 E2577	S2336-R2454 VanDerWaalsContact OG-CD 3.31Å; S2336-R2454 WeakPolarHBondContact OG-CD 3.47Å; S2336-R2454 PolarHBondContact OG-NH1 3.39Å; D2337-R2454 IonicContact OD2-CZ 3.48Å; D2337-R2454 IonicContact OD2-NH1 3.26Å; D2337-R2454 PolarHBondContact OD2-NH1 2.92Å; D2337-R2454 IonicContact OD2-NH2 3Å; D2337-R2454 PolarHBondContact OD2-NH2 3.05Å; R2454-L2456 HydrophobicContact CG-CD2 4.47Å; R2454-Y2504 CarbonylContact C-O 3.49Å; R2454-Y2504 VanDerWaalsContact CA-O 3.26Å; R2454-Y2504 WeakPolarHBondContact CA-O 3.36Å; R2454-T2505 HydrophobicContact CB-CG2 4.29Å; R2454-T2505 HydrophobicContact CG-CG2 3.84Å; R2454-A2533 CarbonylContact O-C 3.43Å; R2454-A2533 VanDerWaalsContact O-CA 3.22Å; R2454-A2533 WeakPolarHBondContact O-CA 3.34Å; R2454-A2533 VanDerWaalsContact O-CB 3.27Å; R2454-A2533 WeakPolarHBondContact O-CB 3.29Å; R2454-E2534 HydrophobicContact CB-CB 4.43Å; R2454-E2534 HydrophobicContact CB-CG 3.82Å; R2454-E2534 VanDerWaalsContact CD-OE1 3.3Å; R2454-E2534 WeakPolarHBondContact CD-OE1 2.97Å; R2454-E2534 WeakPolarHBondContact CD-OE2 3.42Å; R2454-E2534 HydrophobicContact CG-CG 4.31Å; R2454-E2534 IonicContact CZ-OE1 2.65Å; R2454-E2534 PolarHBondContact N-O 3.16Å; R2454-E2534 IonicContact NE-OE1 2.74Å; R2454-E2534 IonicContact NH1-OE1 3.06Å; R2454-E2534 PolarHBondContact NH1-OE1 3.22Å; R2454-E2534 PolarHBondContact O-N 3.21Å; R2454-E2577 IonicContact CZ-OE1 3.78Å; R2454-E2577 IonicContact NH1-OE1 2.63Å; R2454-E2577 PolarHBondContact NH1-OE1 2.81Å; R2454-E2577 IonicContact NH2-OE1 2.99Å; R2454-E2577 PolarHBondContact NH2-OE1 2.92Å; R2454-E2577 VanDerWaalsContact NH2-OE1 3.09Å
2455	F	88.1	Confident	85.3	Confident	3.25 Å²	3.25	36.5 Å²	36.5	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	135.3	169.6	-65.5	-82.9	0	0	0	111.7	P2391 W2453 V2458 I2470 I2487 Y2504 F2506 F2531 A2533	P2391-F2455 HydrophobicContact CB-CB 4.08Å; P2391-F2455 HydrophobicContact CG-CB 4.22Å; W2453-F2455 AromaticContact CD1-CE2 3.68Å; W2453-F2455 AromaticContact CE2-CZ 3.9Å; W2453-F2455 HydrophobicContact CZ2-CE1 4.21Å; W2453-F2455 HydrophobicContact CZ2-CZ 4.32Å; W2453-F2455 AromaticContact NE1-CD2 3.8Å; W2453-F2455 AromaticContact NE1-CE1 3.57Å; W2453-F2455 AromaticContact NE1-CE2 3.19Å; W2453-F2455 VanDerWaalsContact NE1-CE2 3.26Å; W2453-F2455 AromaticContact NE1-CZ 3.09Å; F2455-V2458 HydrophobicContact CB-CB 4.22Å; F2455-V2458 HydrophobicContact CB-CG1 4.2Å; F2455-V2458 HydrophobicContact CD1-CB 3.77Å; F2455-V2458 HydrophobicContact CD1-CG1 4.48Å; F2455-V2458 HydrophobicContact CD1-CG2 3.9Å; F2455-V2458 HydrophobicContact CE1-CB 4.44Å; F2455-V2458 HydrophobicContact CE1-CG2 4.07Å; F2455-V2458 HydrophobicContact CG-CB 4.12Å; F2455-V2458 HydrophobicContact CG-CG1 4.36Å; F2455-V2458 HydrophobicContact CG-CG2 4.45Å; F2455-I2470 HydrophobicContact CE1-CD1 3.74Å; F2455-I2470 HydrophobicContact CZ-CD1 3.77Å; F2455-I2470 HydrophobicContact CZ-CG2 4.42Å; F2455-I2487 HydrophobicContact CD2-CD1 4.3Å; F2455-I2487 HydrophobicContact CE2-CD1 3.28Å; F2455-I2487 HydrophobicContact CZ-CD1 3.65Å; F2455-Y2504 HydrophobicContact CB-CD1 4.28Å; F2455-Y2504 HydrophobicContact CD2-CD1 4.31Å; F2455-Y2504 PolarHBondContact N-O 2.99Å; F2455-Y2504 VanDerWaalsContact N-O 3.1Å; F2455-F2506 HydrophobicContact CD2-CE2 4.36Å; F2455-F2506 HydrophobicContact CE2-CD2 4.34Å; F2455-F2506 AromaticContact CE2-CE2 3.92Å; F2455-F2506 HydrophobicContact CE2-CE2 4.03Å; F2455-F2531 HydrophobicContact CD1-CB 4.07Å; F2455-F2531 HydrophobicContact CD1-CD2 4.33Å; F2455-F2531 HydrophobicContact CD1-CG 4.38Å; F2455-F2531 HydrophobicContact CE1-CB 4.08Å; F2455-F2531 AromaticContact CE1-CD2 3.95Å; F2455-F2531 HydrophobicContact CE1-CD2 4.01Å; F2455-F2531 AromaticContact CE1-CG 3.97Å; F2455-F2531 HydrophobicContact CE1-CG 3.98Å; F2455-A2533 HydrophobicContact CD1-CB 4.23Å; F2455-A2533 HydrophobicContact CE1-CB 4.44Å
2456	L	87.5	Confident	84.8	Confident	0.25 Å²	0.25	34.6 Å²	34.6	0%	0.001	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-31.5	172.5	-63.1	165.5	0	0	0	110.9	F2334 P2391 L2392 L2423 R2454 I2532 E2534 V2575	F2334-L2456 HydrophobicContact CB-CD1 3.86Å; F2334-L2456 HydrophobicContact CD1-CB 4.1Å; F2334-L2456 HydrophobicContact CD1-CD1 4.31Å; F2334-L2456 HydrophobicContact CE1-CB 4.47Å; F2334-L2456 HydrophobicContact CG-CD1 4.21Å; P2391-L2456 CarbonylContact C-O 3.53Å; P2391-L2456 VanDerWaalsContact CA-O 3.3Å; P2391-L2456 WeakPolarHBondContact CA-O 3.35Å; P2391-L2456 VanDerWaalsContact CB-C 3.49Å; P2391-L2456 WeakPolarHBondContact CB-O 3.3Å; L2392-L2456 PolarHBondContact N-O 3.18Å; L2423-L2456 HydrophobicContact CD2-CD1 3.69Å; R2454-L2456 HydrophobicContact CG-CD2 4.47Å; L2456-I2532 HydrophobicContact CB-CG2 4.39Å; L2456-I2532 HydrophobicContact CD1-CG2 4.34Å; L2456-I2532 PolarHBondContact N-O 3.08Å; L2456-E2534 HydrophobicContact CD1-CB 3.92Å; L2456-E2534 HydrophobicContact CD1-CG 4.16Å; L2456-E2534 HydrophobicContact CG-CB 4.3Å; L2456-E2534 HydrophobicContact CG-CG 4.31Å; L2456-V2575 HydrophobicContact CD2-CG1 4.41Å
2457	A	88.9	Confident	84.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.4	165.4	0	0	0	0	0	108.3	L2392 F2531 I2532	L2392-A2457 HydrophobicContact CB-CB 3.87Å; L2392-A2457 HydrophobicContact CD1-CB 4.4Å; L2392-A2457 HydrophobicContact CG-CB 4.48Å; L2392-A2457 CarbonylContact O-C 3.52Å; L2392-A2457 WeakPolarHBondContact O-CA 3.22Å; A2457-F2531 CarbonylContact O-C 3.5Å; A2457-F2531 WeakPolarHBondContact O-CA 3.36Å; A2457-F2531 VanDerWaalsContact O-CB 3.26Å; A2457-F2531 WeakPolarHBondContact O-CB 3.26Å; A2457-I2532 HydrophobicContact CB-CB 4.13Å; A2457-I2532 HydrophobicContact CB-CG1 4.38Å; A2457-I2532 PolarHBondContact N-O 2.93Å; A2457-I2532 PolarHBondContact O-N 3.12Å; A2457-I2532 VanDerWaalsContact O-O 3.11Å
2458	V	89.4	Confident	84.9	Confident	7.25 Å²	7.25	31.3 Å²	31.3	4%	0.044	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	125.4	175.2	64.9	0	0	0	0	111	P2391 L2392 F2455 L2460 L2492 Y2504 F2531	P2391-V2458 HydrophobicContact CB-CG1 4.14Å; P2391-V2458 HydrophobicContact CG-CG1 3.59Å; L2392-V2458 PolarHBondContact O-N 2.99Å; F2455-V2458 HydrophobicContact CB-CB 4.22Å; F2455-V2458 HydrophobicContact CB-CG1 4.2Å; F2455-V2458 HydrophobicContact CD1-CB 3.77Å; F2455-V2458 HydrophobicContact CD1-CG1 4.48Å; F2455-V2458 HydrophobicContact CD1-CG2 3.9Å; F2455-V2458 HydrophobicContact CE1-CB 4.44Å; F2455-V2458 HydrophobicContact CE1-CG2 4.07Å; F2455-V2458 HydrophobicContact CG-CB 4.12Å; F2455-V2458 HydrophobicContact CG-CG1 4.36Å; F2455-V2458 HydrophobicContact CG-CG2 4.45Å; V2458-L2460 HydrophobicContact CG2-CG 4.44Å; V2458-L2492 HydrophobicContact CG1-CD1 4.33Å; V2458-L2492 HydrophobicContact CG1-CD2 3.91Å; V2458-L2492 HydrophobicContact CG2-CD1 3.91Å; V2458-L2492 HydrophobicContact CG2-CD2 4.36Å; V2458-Y2504 HydrophobicContact CG1-CD1 4.24Å; V2458-Y2504 HydrophobicContact CG1-CE1 4Å; V2458-F2531 HydrophobicContact CB-CB 4.21Å; V2458-F2531 HydrophobicContact CG2-CB 4.11Å
2459	N	88.1	Confident	85.2	Confident	24.25 Å²	24.25	29.5 Å²	29.5	13%	0.13	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	107.2	173.7	-172.9	12.9	0	0	0	109.1	N2393 K2528 Y2529 G2530	N2393-N2459 VanDerWaalsContact O-CB 3.29Å; N2393-N2459 WeakPolarHBondContact O-CB 3.33Å; N2393-N2459 VanDerWaalsContact O-CG 3.28Å; N2393-N2459 PolarHBondContact O-ND2 2.87Å; N2459-K2528 PolarHBondContact ND2-O 3.21Å; N2459-Y2529 HydrophobicContact CB-CD1 4.44Å; N2459-Y2529 WeakPolarHBondContact ND2-CD1 3.39Å; N2459-Y2529 WeakPolarHBondContact O-CA 3.39Å; N2459-G2530 PolarHBondContact N-O 3.04Å; N2459-G2530 PolarHBondContact O-N 3.15Å
2460	L	88.3	Confident	85.5	Confident	1.25 Å²	1.25	27.3 Å²	27.3	1%	0.007	13%	0.129	C	C	.	.			trans	-97	134.6	178.4	-64	179.2	0	0	0	109.8	Y2428 V2458 Y2462 I2470 I2487 Q2489 L2492	Y2428-L2460 HydrophobicContact CE2-CD2 4.41Å; V2458-L2460 HydrophobicContact CG2-CG 4.44Å; L2460-Y2462 PolarHBondContact O-N 2.81Å; L2460-I2470 HydrophobicContact CD1-CD1 4.39Å; L2460-I2470 HydrophobicContact CD1-CG1 4.34Å; L2460-I2470 HydrophobicContact CD2-CD1 4.15Å; L2460-I2470 HydrophobicContact CD2-CG1 4.32Å; L2460-I2487 HydrophobicContact CD1-CG2 4.24Å; L2460-Q2489 HydrophobicContact CB-CB 4.23Å; L2460-Q2489 VanDerWaalsContact O-CG 3.3Å; L2460-Q2489 WeakPolarHBondContact O-CG 3.26Å; L2460-Q2489 PolarHBondContact O-OE1 3.15Å; L2460-L2492 HydrophobicContact CB-CD1 4.09Å; L2460-L2492 HydrophobicContact CD1-CD1 3.92Å; L2460-L2492 HydrophobicContact CG-CD1 3.84Å
2461	Y	84.5	Confident	85.7	Confident	22.5 Å²	22.5	26.4 Å²	26.4	9%	0.088	13%	0.127	C	C	.	.			trans	-68.9	136.9	175	173.2	-118.1	0	0	0	110.2	Q2128 Y2428 D2463 N2468 V2524 Y2529	Q2128-Y2461 HydrophobicContact CG-CE2 4.28Å; Q2128-Y2461 PolarHBondContact NE2-OH 3.27Å; Q2128-Y2461 VanDerWaalsContact NE2-OH 3.09Å; Q2128-Y2461 PolarHBondContact OE1-OH 2.76Å; Y2428-Y2461 PolarHBondContact OH-N 2.95Å; Y2461-D2463 HydrophobicContact CD1-CB 3.93Å; Y2461-D2463 HydrophobicContact CE1-CB 3.51Å; Y2461-D2463 VanDerWaalsContact CE1-CB 3.47Å; Y2461-D2463 PolarHBondContact O-N 2.79Å; Y2461-N2468 WeakPolarHBondContact CD1-ND2 3.25Å; Y2461-N2468 WeakPolarHBondContact O-CB 3.32Å; Y2461-N2468 PolarHBondContact O-ND2 3.25Å; Y2461-V2524 HydrophobicContact CD1-CG2 3.28Å; Y2461-V2524 HydrophobicContact CD2-CG2 4.34Å; Y2461-V2524 HydrophobicContact CE1-CG2 3.94Å; Y2461-V2524 HydrophobicContact CG-CG1 4.49Å; Y2461-V2524 HydrophobicContact CG-CG2 3.59Å; Y2461-Y2529 HydrophobicContact CD2-CD2 4.49Å; Y2461-Y2529 HydrophobicContact CD2-CE1 4.17Å; Y2461-Y2529 AromaticContact CD2-CE2 3.93Å; Y2461-Y2529 HydrophobicContact CD2-CE2 4.1Å; Y2461-Y2529 AromaticContact CD2-CZ 3.82Å
2462	Y	83.2	Confident	85.8	Confident	149 Å²	149	26.4 Å²	26.4	58%	0.584	13%	0.127	S	C	*	.			trans	-88.7	109.1	170.8	178.3	-103	0	0	0	109.7	L2460 P2464	L2460-Y2462 PolarHBondContact O-N 2.81Å; Y2462-P2464 HydrophobicContact CE1-CB 4.37Å
2463	D	78.9	Confident	86	Confident	15.5 Å²	15.5	26.5 Å²	26.5	8%	0.083	13%	0.126	C	C	.	.			trans	-110.2	125.3	172	-170.4	-39	0	0	0	108.6	R2192 Y2461 L2465 I2466 S2522	R2192-D2463 IonicContact CZ-OD2 2.71Å; R2192-D2463 IonicContact NH1-OD2 2.72Å; R2192-D2463 IonicContact NH2-OD1 3.11Å; R2192-D2463 IonicContact NH2-OD2 3.31Å; R2192-D2463 PolarHBondContact NH2-OD2 2.86Å; Y2461-D2463 HydrophobicContact CD1-CB 3.93Å; Y2461-D2463 HydrophobicContact CE1-CB 3.51Å; Y2461-D2463 VanDerWaalsContact CE1-CB 3.47Å; Y2461-D2463 PolarHBondContact O-N 2.79Å; D2463-L2465 VanDerWaalsContact C-N 3.3Å; D2463-L2465 PolarHBondContact O-N 3.15Å; D2463-L2465 PolarHBondContact OD1-N 3.05Å; D2463-I2466 HydrophobicContact CB-CB 4.39Å; D2463-I2466 VanDerWaalsContact CB-O 3.28Å; D2463-I2466 WeakPolarHBondContact CB-O 3.24Å; D2463-I2466 VanDerWaalsContact O-O 3.1Å; D2463-I2466 PolarHBondContact OD1-N 3.24Å; D2463-S2522 WeakPolarHBondContact CB-OG 3.41Å; D2463-S2522 VanDerWaalsContact OD2-CB 3.32Å; D2463-S2522 WeakPolarHBondContact OD2-CB 3.13Å; D2463-S2522 PolarHBondContact OD2-OG 2.99Å
2464	P	74.6	Confident	85.9	Confident	46 Å²	46	27.8 Å²	27.8	30%	0.299	13%	0.132	S	C	.	.	S	Bend	trans	-75.2	-16.2	-177.4	30	-35.1	0	0	0	113.8	Y2195 Y2462	Y2195-P2464 HydrophobicContact CD1-CG 4.24Å; Y2195-P2464 HydrophobicContact CD2-CG 3.34Å; Y2195-P2464 HydrophobicContact CE2-CG 3.91Å; Y2195-P2464 HydrophobicContact CG-CG 3.6Å; Y2462-P2464 HydrophobicContact CE1-CB 4.37Å
2465	L	75.3	Confident	86	Confident	89.25 Å²	89.25	27.2 Å²	27.2	47%	0.467	13%	0.131	S	C	.	.	S	Bend	trans	-98.5	-35.9	178.2	-68.4	-177.5	0	0	0	112.8	Y2195 D2463	Y2195-L2465 HydrophobicContact CE2-CD1 4.24Å; Y2195-L2465 HydrophobicContact CE2-CG 4.31Å; Y2195-L2465 VanDerWaalsContact OH-CD1 3.31Å; Y2195-L2465 WeakPolarHBondContact OH-CD1 3.45Å; D2463-L2465 VanDerWaalsContact C-N 3.3Å; D2463-L2465 PolarHBondContact O-N 3.15Å; D2463-L2465 PolarHBondContact OD1-N 3.05Å
2466	I	78.3	Confident	85.8	Confident	31.75 Å²	31.75	29.1 Å²	29.1	16%	0.163	14%	0.143	C	C	.	.	S	Bend	trans	-120.5	111.2	-173.6	-61.2	169.9	0	0	0	108.6	E1668 I2435 D2463 N2468	E1668-I2466 HydrophobicContact CG-CG1 4.48Å; E1668-I2466 WeakPolarHBondContact OE2-CA 3.36Å; I2435-I2466 HydrophobicContact CD1-CD1 4.13Å; I2435-I2466 HydrophobicContact CD1-CG2 4.29Å; I2435-I2466 HydrophobicContact CG1-CD1 4.11Å; D2463-I2466 HydrophobicContact CB-CB 4.39Å; D2463-I2466 VanDerWaalsContact CB-O 3.28Å; D2463-I2466 WeakPolarHBondContact CB-O 3.24Å; D2463-I2466 VanDerWaalsContact O-O 3.1Å; D2463-I2466 PolarHBondContact OD1-N 3.24Å; I2466-N2468 PolarHBondContact O-N 3.05Å; I2466-N2468 VanDerWaalsContact O-N 3.14Å; I2466-N2468 PolarHBondContact O-OD1 3.25Å
2467	E	81.3	Confident	85.4	Confident	88.75 Å²	88.75	34.1 Å²	34.1	42%	0.415	17%	0.17	S	C	.	.			trans	-69.7	117.7	178.6	-169.1	172.8	-148.5	0	0	110.8	Y1630 F2469 T2488 H2520	Y1630-E2467 HydrophobicContact CD1-CB 3.92Å; Y1630-E2467 HydrophobicContact CD2-CB 3.83Å; Y1630-E2467 HydrophobicContact CE1-CB 3.54Å; Y1630-E2467 VanDerWaalsContact CE1-CD 3.41Å; Y1630-E2467 HydrophobicContact CE1-CG 4.06Å; Y1630-E2467 WeakPolarHBondContact CE1-OE2 3.4Å; Y1630-E2467 HydrophobicContact CE2-CB 3.44Å; Y1630-E2467 VanDerWaalsContact CE2-CB 3.44Å; Y1630-E2467 HydrophobicContact CG-CB 4.04Å; Y1630-E2467 PolarHBondContact OH-OE2 2.98Å; E2467-F2469 HydrophobicContact CB-CD1 4.29Å; E2467-F2469 HydrophobicContact CG-CD1 4.18Å; E2467-F2469 VanDerWaalsContact O-CD1 3.3Å; E2467-F2469 WeakPolarHBondContact O-CD1 3.23Å; E2467-F2469 PolarHBondContact O-N 2.64Å; E2467-T2488 HydrophobicContact CG-CG2 4.4Å; E2467-T2488 WeakPolarHBondContact OE1-CB 3.26Å; E2467-T2488 VanDerWaalsContact OE1-CG2 3.25Å; E2467-T2488 WeakPolarHBondContact OE1-CG2 3.36Å; E2467-T2488 PolarHBondContact OE1-OG1 3.45Å; E2467-H2520 PolarHBondContact O-ND1 3.14Å
2468	N	89	Confident	84.8	Confident	5.75 Å²	5.75	36.3 Å²	36.3	3%	0.031	18%	0.18	C	C	.	.			trans	-87.6	118.9	175.1	-64.6	-32.2	0	0	0	109.4	Y2461 I2466 H2520 T2521 S2522	Y2461-N2468 WeakPolarHBondContact CD1-ND2 3.25Å; Y2461-N2468 WeakPolarHBondContact O-CB 3.32Å; Y2461-N2468 PolarHBondContact O-ND2 3.25Å; I2466-N2468 PolarHBondContact O-N 3.05Å; I2466-N2468 VanDerWaalsContact O-N 3.14Å; I2466-N2468 PolarHBondContact O-OD1 3.25Å; N2468-H2520 CarbonylContact C-O 3.56Å; N2468-H2520 WeakPolarHBondContact CA-O 3.45Å; N2468-T2521 VanDerWaalsContact OD1-CA 3.28Å; N2468-T2521 WeakPolarHBondContact OD1-CA 3.38Å; N2468-S2522 PolarHBondContact ND2-OG 2.96Å; N2468-S2522 WeakPolarHBondContact OD1-CB 3.03Å; N2468-S2522 PolarHBondContact OD1-N 2.87Å; N2468-S2522 PolarHBondContact OD1-OG 2.96Å
2469	F	90.7	Very high	84.3	Confident	20.25 Å²	20.25	38.5 Å²	38.5	9%	0.089	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.4	-173.3	64.4	-104.7	0	0	0	114.4	E2467 Q2471 V2486 I2487 T2488 Y2518 H2520	E2467-F2469 HydrophobicContact CB-CD1 4.29Å; E2467-F2469 HydrophobicContact CG-CD1 4.18Å; E2467-F2469 VanDerWaalsContact O-CD1 3.3Å; E2467-F2469 WeakPolarHBondContact O-CD1 3.23Å; E2467-F2469 PolarHBondContact O-N 2.64Å; F2469-Q2471 HydrophobicContact CD2-CG 3.66Å; F2469-Q2471 HydrophobicContact CE2-CG 3.77Å; F2469-Q2471 VanDerWaalsContact CE2-NE2 3.34Å; F2469-V2486 HydrophobicContact CB-CG1 4.22Å; F2469-V2486 HydrophobicContact CG-CG1 4.47Å; F2469-I2487 CarbonylContact C-O 3.44Å; F2469-I2487 WeakPolarHBondContact CA-O 3.41Å; F2469-I2487 WeakPolarHBondContact CB-O 3.39Å; F2469-T2488 HydrophobicContact CB-CG2 3.95Å; F2469-Y2518 AromaticContact CE2-CD1 3.84Å; F2469-Y2518 HydrophobicContact CE2-CD1 3.84Å; F2469-Y2518 AromaticContact CE2-CE1 3.69Å; F2469-Y2518 HydrophobicContact CE2-CE1 3.69Å; F2469-Y2518 AromaticContact CZ-CE1 3.96Å; F2469-Y2518 HydrophobicContact CZ-CE1 3.99Å; F2469-H2520 HydrophobicContact CD1-CB 4.2Å; F2469-H2520 HydrophobicContact CD2-CB 3.99Å; F2469-H2520 HydrophobicContact CE1-CB 3.8Å; F2469-H2520 AromaticContact CE1-CD2 3.9Å; F2469-H2520 AromaticContact CE1-CG 3.82Å; F2469-H2520 AromaticContact CE1-ND1 3.68Å; F2469-H2520 HydrophobicContact CE2-CB 3.59Å; F2469-H2520 VanDerWaalsContact CE2-CB 3.46Å; F2469-H2520 HydrophobicContact CG-CB 4.29Å; F2469-H2520 HydrophobicContact CZ-CB 3.49Å; F2469-H2520 VanDerWaalsContact CZ-CB 3.45Å; F2469-H2520 AromaticContact CZ-CG 3.84Å; F2469-H2520 PolarHBondContact N-O 3.08Å; F2469-H2520 PolarHBondContact O-N 3.29Å
2470	I	91.9	Very high	83.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.6	169.5	-52.3	173.2	0	0	0	107.7	F2455 L2460 L2472 V2486 I2487 V2517 Y2518 V2519 F2531	F2455-I2470 HydrophobicContact CE1-CD1 3.74Å; F2455-I2470 HydrophobicContact CZ-CD1 3.77Å; F2455-I2470 HydrophobicContact CZ-CG2 4.42Å; L2460-I2470 HydrophobicContact CD1-CD1 4.39Å; L2460-I2470 HydrophobicContact CD1-CG1 4.34Å; L2460-I2470 HydrophobicContact CD2-CD1 4.15Å; L2460-I2470 HydrophobicContact CD2-CG1 4.32Å; I2470-L2472 HydrophobicContact CG2-CD2 3.81Å; I2470-L2472 HydrophobicContact CG2-CG 4.47Å; I2470-V2486 WeakPolarHBondContact O-CA 3.42Å; I2470-I2487 HydrophobicContact CB-CB 4.33Å; I2470-I2487 PolarHBondContact N-O 3.06Å; I2470-I2487 PolarHBondContact O-N 3.1Å; I2470-V2517 HydrophobicContact CG2-CG1 4.01Å; I2470-Y2518 CarbonylContact C-O 3.58Å; I2470-Y2518 WeakPolarHBondContact CA-O 3.42Å; I2470-V2519 HydrophobicContact CG1-CG2 4.27Å; I2470-V2519 HydrophobicContact CG2-CG2 4.18Å; I2470-F2531 HydrophobicContact CD1-CD1 3.52Å; I2470-F2531 VanDerWaalsContact CD1-CD1 3.47Å; I2470-F2531 HydrophobicContact CD1-CE1 3.57Å; I2470-F2531 VanDerWaalsContact CD1-CE1 3.5Å; I2470-F2531 HydrophobicContact CD1-CG 4.24Å; I2470-F2531 HydrophobicContact CD1-CZ 4.35Å; I2470-F2531 HydrophobicContact CG1-CD1 4.5Å; I2470-F2531 HydrophobicContact CG1-CE1 4.23Å
2471	Q	91	Very high	83.2	Confident	27 Å²	27	48.8 Å²	48.8	13%	0.126	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.1	175	-73.7	172.5	-13.4	0	0	109.6	R1827 F2469 Y2473 V2486 V2517 Y2518	R1827-Q2471 VanDerWaalsContact NH2-OE1 3.14Å; F2469-Q2471 HydrophobicContact CD2-CG 3.66Å; F2469-Q2471 HydrophobicContact CE2-CG 3.77Å; F2469-Q2471 VanDerWaalsContact CE2-NE2 3.34Å; Q2471-Y2473 HydrophobicContact CB-CD2 4.4Å; Q2471-Y2473 HydrophobicContact CB-CE2 3.56Å; Q2471-Y2473 PolarHBondContact OE1-OH 3.08Å; Q2471-V2486 HydrophobicContact CG-CB 4.39Å; Q2471-V2486 HydrophobicContact CG-CG1 3.9Å; Q2471-V2486 HydrophobicContact CG-CG2 4.01Å; Q2471-V2517 WeakPolarHBondContact O-CA 3.28Å; Q2471-Y2518 HydrophobicContact CB-CD1 4.45Å; Q2471-Y2518 PolarHBondContact N-O 3.1Å; Q2471-Y2518 PolarHBondContact O-N 3.01Å
2472	L	91.9	Very high	83.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.8	179.7	-52.4	179.8	0	0	0	108.9	W2453 I2470 I2484 T2485 I2487 F2506 F2515 V2517	W2453-L2472 HydrophobicContact CD2-CD2 4.43Å; W2453-L2472 HydrophobicContact CG-CD1 4.27Å; W2453-L2472 HydrophobicContact CG-CD2 4.44Å; I2470-L2472 HydrophobicContact CG2-CD2 3.81Å; I2470-L2472 HydrophobicContact CG2-CG 4.47Å; L2472-I2484 HydrophobicContact CB-CB 4.34Å; L2472-I2484 WeakPolarHBondContact O-CB 3.36Å; L2472-I2484 PolarHBondContact O-N 3.1Å; L2472-T2485 HydrophobicContact CB-CG2 4.01Å; L2472-T2485 HydrophobicContact CD1-CG2 3.56Å; L2472-T2485 VanDerWaalsContact CD1-CG2 3.49Å; L2472-T2485 HydrophobicContact CG-CG2 3.87Å; L2472-T2485 PolarHBondContact N-O 3.1Å; L2472-T2485 VanDerWaalsContact N-O 3.12Å; L2472-I2487 HydrophobicContact CD1-CD1 4.16Å; L2472-F2506 HydrophobicContact CD1-CB 3.83Å; L2472-F2506 HydrophobicContact CD1-CD1 4.49Å; L2472-F2506 HydrophobicContact CD1-CD2 3.45Å; L2472-F2506 VanDerWaalsContact CD1-CD2 3.45Å; L2472-F2506 HydrophobicContact CD1-CE2 4.16Å; L2472-F2506 HydrophobicContact CD1-CG 3.67Å; L2472-F2515 HydrophobicContact CB-CE1 4.43Å; L2472-F2515 HydrophobicContact CB-CE2 4.34Å; L2472-F2515 HydrophobicContact CB-CZ 3.8Å; L2472-F2515 HydrophobicContact CD1-CZ 3.98Å; L2472-F2515 HydrophobicContact CD2-CE1 3.99Å; L2472-F2515 HydrophobicContact CD2-CZ 3.92Å; L2472-F2515 HydrophobicContact CG-CZ 4.1Å; L2472-V2517 HydrophobicContact CD2-CB 4.25Å; L2472-V2517 HydrophobicContact CD2-CG1 3.82Å; L2472-V2517 HydrophobicContact CD2-CG2 3.78Å
2473	Y	90.2	Very high	83.3	Confident	9.75 Å²	9.75	45.1 Å²	45.1	4%	0.038	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148	-173.9	-62.7	-95	0	0	0	112.7	R1827 Q2471 Q2478 T2479 Q2482 V2483 S2516	R1827-Y2473 PolarHBondContact NH2-OH 2.93Å; Q2471-Y2473 HydrophobicContact CB-CD2 4.4Å; Q2471-Y2473 HydrophobicContact CB-CE2 3.56Å; Q2471-Y2473 PolarHBondContact OE1-OH 3.08Å; Y2473-Q2478 HydrophobicContact CD1-CB 4.28Å; Y2473-Q2478 HydrophobicContact CD2-CB 4.33Å; Y2473-Q2478 HydrophobicContact CD2-CG 4.07Å; Y2473-Q2478 HydrophobicContact CE1-CB 3.99Å; Y2473-Q2478 HydrophobicContact CE1-CG 4.49Å; Y2473-Q2478 HydrophobicContact CE2-CB 4.14Å; Y2473-Q2478 HydrophobicContact CE2-CG 4.09Å; Y2473-Q2478 HydrophobicContact CG-CB 4.41Å; Y2473-Q2478 HydrophobicContact CG-CG 4.36Å; Y2473-T2479 WeakPolarHBondContact CE1-O 3.33Å; Y2473-Q2482 CarbonylContact C-O 3.49Å; Y2473-Q2482 VanDerWaalsContact CA-O 3.31Å; Y2473-Q2482 WeakPolarHBondContact CA-O 3.22Å; Y2473-Q2482 HydrophobicContact CD1-CB 4.39Å; Y2473-V2483 HydrophobicContact CD1-CB 4.47Å; Y2473-V2483 HydrophobicContact CD1-CG2 3.84Å; Y2473-V2483 HydrophobicContact CE1-CB 4.37Å; Y2473-V2483 HydrophobicContact CE1-CG2 3.35Å; Y2473-V2483 VanDerWaalsContact CE1-CG2 3.42Å; Y2473-S2516 WeakPolarHBondContact CB-OG 3.47Å; Y2473-S2516 PolarHBondContact N-O 3.05Å; Y2473-S2516 PolarHBondContact O-N 3.02Å; Y2473-S2516 VanDerWaalsContact O-N 3.08Å
2474	N	88	Confident	83.5	Confident	25.75 Å²	25.75	46.5 Å²	46.5	14%	0.138	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	118.8	165.6	-79.1	-56.7	0	0	0	110.6	Q2482 I2484 T2508 S2509 H2512	N2474-Q2482 HydrophobicContact CB-CB 4.29Å; N2474-Q2482 HydrophobicContact CB-CG 4.46Å; N2474-Q2482 PolarHBondContact N-O 3.23Å; N2474-Q2482 PolarHBondContact ND2-O 2.88Å; N2474-Q2482 WeakPolarHBondContact O-CB 3.22Å; N2474-Q2482 WeakPolarHBondContact O-CG 3.3Å; N2474-Q2482 PolarHBondContact O-NE2 3.17Å; N2474-Q2482 VanDerWaalsContact O-NE2 3.1Å; N2474-I2484 HydrophobicContact CB-CG1 4.47Å; N2474-I2484 VanDerWaalsContact ND2-CG1 3.35Å; N2474-I2484 WeakPolarHBondContact ND2-CG1 3.19Å; N2474-I2484 WeakPolarHBondContact OD1-CD1 3.28Å; N2474-T2508 WeakPolarHBondContact OD1-CA 3.46Å; N2474-S2509 PolarHBondContact OD1-N 3.25Å; N2474-S2509 PolarHBondContact OD1-OG 2.91Å; N2474-H2512 HydrophobicContact CB-CB 4.46Å; N2474-H2512 VanDerWaalsContact CB-CD2 3.49Å; N2474-H2512 WeakPolarHBondContact CB-CD2 3.44Å
2475	G	86.5	Confident	84	Confident	2.75 Å²	2.75	45.6 Å²	45.6	3%	0.028	25%	0.253	C	S	.	.	S	Bend	trans	78.4	-176.7	-179.7	0	0	0	0	0	114.4	H2512 E2514 S2516	G2475-H2512 PolarHBondContact N-CD2 3.22Å; G2475-E2514 WeakPolarHBondContact CA-O 3.37Å; G2475-E2514 PolarHBondContact N-O 3.01Å; G2475-S2516 VanDerWaalsContact O-CB 3.3Å; G2475-S2516 WeakPolarHBondContact O-CB 3.38Å; G2475-S2516 PolarHBondContact O-N 2.74Å; G2475-S2516 PolarHBondContact O-OG 3.07Å
2476	V	84.5	Confident	84.6	Confident	44.5 Å²	44.5	44 Å²	44	27%	0.27	25%	0.247	S	C	.	.	S	Bend	trans	-72.5	-34.7	-179.8	-177.4	0	0	0	0	113.1	S1829 V2441 Q2478 E2514 S2516	S1829-V2476 WeakPolarHBondContact OG-CG1 3.18Å; V2441-V2476 HydrophobicContact CG1-CG1 4.41Å; V2441-V2476 HydrophobicContact CG1-CG2 3.89Å; V2441-V2476 HydrophobicContact CG2-CG1 4.29Å; V2441-V2476 HydrophobicContact CG2-CG2 4.28Å; V2476-Q2478 PolarHBondContact O-N 3.32Å; V2476-E2514 VanDerWaalsContact CG2-OE2 3.29Å; V2476-E2514 WeakPolarHBondContact CG2-OE2 3.35Å; V2476-S2516 WeakPolarHBondContact CA-OG 3.22Å
2477	N	79	Confident	85	Confident	105.5 Å²	105.5	42.8 Å²	42.8	56%	0.564	24%	0.241	S	C	*	.			trans	-78.7	120.9	-171.8	-69.2	-12	0	0	0	110.6	T2479 Q2482	N2477-T2479 HydrophobicContact CB-CG2 4.26Å; N2477-T2479 PolarHBondContact O-N 3.14Å; N2477-Q2482 VanDerWaalsContact CB-OE1 3.25Å; N2477-Q2482 PolarHBondContact O-OE1 2.96Å; N2477-Q2482 VanDerWaalsContact O-OE1 3.07Å
2478	Q	76.3	Confident	85.2	Confident	45.75 Å²	45.75	39.6 Å²	39.6	21%	0.214	23%	0.227	C	C	.	.			trans	-85.4	54	-177.7	-61.6	-175	-6	0	0	112.1	R1827 T2439 Y2473 V2476 S2516	R1827-Q2478 VanDerWaalsContact CG-OE1 3.25Å; R1827-Q2478 PolarHBondContact O-NE2 3.21Å; T2439-Q2478 VanDerWaalsContact CG2-NE2 3.25Å; Y2473-Q2478 HydrophobicContact CD1-CB 4.28Å; Y2473-Q2478 HydrophobicContact CD2-CB 4.33Å; Y2473-Q2478 HydrophobicContact CD2-CG 4.07Å; Y2473-Q2478 HydrophobicContact CE1-CB 3.99Å; Y2473-Q2478 HydrophobicContact CE1-CG 4.49Å; Y2473-Q2478 HydrophobicContact CE2-CB 4.14Å; Y2473-Q2478 HydrophobicContact CE2-CG 4.09Å; Y2473-Q2478 HydrophobicContact CG-CB 4.41Å; Y2473-Q2478 HydrophobicContact CG-CG 4.36Å; V2476-Q2478 PolarHBondContact O-N 3.32Å; Q2478-S2516 PolarHBondContact NE2-OG 2.95Å
2479	T	78.5	Confident	84.8	Confident	54 Å²	54	41.8 Å²	41.8	33%	0.331	24%	0.237	S	C	.	.			trans	-86.3	152.8	178.4	68.3	0	0	0	0	111.3	W1729 Y2473 N2477 N2481 Q2482	W1729-T2479 HydrophobicContact CH2-CG2 3.84Å; W1729-T2479 HydrophobicContact CZ2-CG2 3.74Å; Y2473-T2479 WeakPolarHBondContact CE1-O 3.33Å; N2477-T2479 HydrophobicContact CB-CG2 4.26Å; N2477-T2479 PolarHBondContact O-N 3.14Å; T2479-N2481 PolarHBondContact O-N 3.06Å; T2479-N2481 VanDerWaalsContact O-N 3.11Å; T2479-Q2482 PolarHBondContact O-N 3Å; T2479-Q2482 WeakPolarHBondContact OG1-CG 3.49Å; T2479-Q2482 PolarHBondContact OG1-OE1 2.93Å
2480	A	74.2	Confident	84.1	Confident	85.5 Å²	85.5	42.7 Å²	42.7	71%	0.707	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-57.1	-32.9	178.7	0	0	0	0	0	112.9	Q2482 V2483	A2480-Q2482 VanDerWaalsContact C-N 3.26Å; A2480-Q2482 PolarHBondContact O-N 3.02Å; A2480-V2483 WeakPolarHBondContact O-CG2 3.37Å; A2480-V2483 PolarHBondContact O-N 2.97Å
2481	N	80.1	Confident	83.2	Confident	155 Å²	155	45.5 Å²	45.5	83%	0.829	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-72	-17.3	179.4	-62.7	4.2	0	0	0	113.4	T2479	T2479-N2481 PolarHBondContact O-N 3.06Å; T2479-N2481 VanDerWaalsContact O-N 3.11Å
2482	Q	83	Confident	82.4	Confident	42.25 Å²	42.25	45.8 Å²	45.8	20%	0.197	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-101.5	-0.9	-178.3	-76.4	172.2	-56.9	0	0	113	Y2473 N2474 N2477 T2479 A2480 I2484	Y2473-Q2482 CarbonylContact C-O 3.49Å; Y2473-Q2482 VanDerWaalsContact CA-O 3.31Å; Y2473-Q2482 WeakPolarHBondContact CA-O 3.22Å; Y2473-Q2482 HydrophobicContact CD1-CB 4.39Å; N2474-Q2482 HydrophobicContact CB-CB 4.29Å; N2474-Q2482 HydrophobicContact CB-CG 4.46Å; N2474-Q2482 PolarHBondContact N-O 3.23Å; N2474-Q2482 PolarHBondContact ND2-O 2.88Å; N2474-Q2482 WeakPolarHBondContact O-CB 3.22Å; N2474-Q2482 WeakPolarHBondContact O-CG 3.3Å; N2474-Q2482 PolarHBondContact O-NE2 3.17Å; N2474-Q2482 VanDerWaalsContact O-NE2 3.1Å; N2477-Q2482 VanDerWaalsContact CB-OE1 3.25Å; N2477-Q2482 PolarHBondContact O-OE1 2.96Å; N2477-Q2482 VanDerWaalsContact O-OE1 3.07Å; T2479-Q2482 PolarHBondContact O-N 3Å; T2479-Q2482 WeakPolarHBondContact OG1-CG 3.49Å; T2479-Q2482 PolarHBondContact OG1-OE1 2.93Å; A2480-Q2482 VanDerWaalsContact C-N 3.26Å; A2480-Q2482 PolarHBondContact O-N 3.02Å; Q2482-I2484 PolarHBondContact O-N 2.98Å
2483	V	85.3	Confident	81.1	Confident	52.5 Å²	52.5	48.8 Å²	48.8	32%	0.318	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	124.1	176.5	178.6	0	0	0	0	109.9	Y2473 A2480 V2486	Y2473-V2483 HydrophobicContact CD1-CB 4.47Å; Y2473-V2483 HydrophobicContact CD1-CG2 3.84Å; Y2473-V2483 HydrophobicContact CE1-CB 4.37Å; Y2473-V2483 HydrophobicContact CE1-CG2 3.35Å; Y2473-V2483 VanDerWaalsContact CE1-CG2 3.42Å; A2480-V2483 WeakPolarHBondContact O-CG2 3.37Å; A2480-V2483 PolarHBondContact O-N 2.97Å; V2483-V2486 HydrophobicContact CG1-CG2 4.04Å
2484	I	83.9	Confident	79.3	Confident	45.25 Å²	45.25	54.8 Å²	54.8	23%	0.232	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-47.7	170.4	-60.8	167.9	0	0	0	109.4	L2472 N2474 Q2482 F2506 F2515	L2472-I2484 HydrophobicContact CB-CB 4.34Å; L2472-I2484 WeakPolarHBondContact O-CB 3.36Å; L2472-I2484 PolarHBondContact O-N 3.1Å; N2474-I2484 HydrophobicContact CB-CG1 4.47Å; N2474-I2484 VanDerWaalsContact ND2-CG1 3.35Å; N2474-I2484 WeakPolarHBondContact ND2-CG1 3.19Å; N2474-I2484 WeakPolarHBondContact OD1-CD1 3.28Å; Q2482-I2484 PolarHBondContact O-N 2.98Å; I2484-F2506 HydrophobicContact CG2-CB 4.14Å; I2484-F2506 HydrophobicContact CG2-CD1 4.28Å; I2484-F2515 HydrophobicContact CD1-CD2 3.87Å; I2484-F2515 HydrophobicContact CD1-CE2 3.51Å; I2484-F2515 VanDerWaalsContact CD1-CE2 3.47Å; I2484-F2515 HydrophobicContact CD1-CZ 4.48Å
2485	T	85.6	Confident	77.3	Confident	26.5 Å²	26.5	60.4 Å²	60.4	16%	0.163	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	161.4	-179.7	-168.5	0	0	0	0	111.8	L2472 I2487 F2506	L2472-T2485 HydrophobicContact CB-CG2 4.01Å; L2472-T2485 HydrophobicContact CD1-CG2 3.56Å; L2472-T2485 VanDerWaalsContact CD1-CG2 3.49Å; L2472-T2485 HydrophobicContact CG-CG2 3.87Å; L2472-T2485 PolarHBondContact N-O 3.1Å; L2472-T2485 VanDerWaalsContact N-O 3.12Å; T2485-I2487 HydrophobicContact CG2-CD1 4.13Å; T2485-I2487 HydrophobicContact CG2-CG1 3.98Å; T2485-F2506 HydrophobicContact CG2-CD1 3.49Å; T2485-F2506 VanDerWaalsContact CG2-CD1 3.45Å; T2485-F2506 HydrophobicContact CG2-CD2 4.21Å; T2485-F2506 HydrophobicContact CG2-CE1 3.45Å; T2485-F2506 HydrophobicContact CG2-CE2 4.18Å; T2485-F2506 HydrophobicContact CG2-CG 3.88Å; T2485-F2506 HydrophobicContact CG2-CZ 3.8Å
2486	V	86.5	Confident	75.3	Confident	56.5 Å²	56.5	62.5 Å²	62.5	34%	0.342	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122	167.4	-170.9	0	0	0	0	107.8	F2469 I2470 Q2471 V2483 T2488	F2469-V2486 HydrophobicContact CB-CG1 4.22Å; F2469-V2486 HydrophobicContact CG-CG1 4.47Å; I2470-V2486 WeakPolarHBondContact O-CA 3.42Å; Q2471-V2486 HydrophobicContact CG-CB 4.39Å; Q2471-V2486 HydrophobicContact CG-CG1 3.9Å; Q2471-V2486 HydrophobicContact CG-CG2 4.01Å; V2483-V2486 HydrophobicContact CG1-CG2 4.04Å; V2486-T2488 HydrophobicContact CG1-CG2 4.11Å
2487	I	87.3	Confident	73.1	Confident	6.5 Å²	6.5	67.4 Å²	67.4	3%	0.033	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122	-177	-56	168.4	0	0	0	108	F2455 L2460 F2469 I2470 L2472 T2485 T2491 L2492 F2506	F2455-I2487 HydrophobicContact CD2-CD1 4.3Å; F2455-I2487 HydrophobicContact CE2-CD1 3.28Å; F2455-I2487 HydrophobicContact CZ-CD1 3.65Å; L2460-I2487 HydrophobicContact CD1-CG2 4.24Å; F2469-I2487 CarbonylContact C-O 3.44Å; F2469-I2487 WeakPolarHBondContact CA-O 3.41Å; F2469-I2487 WeakPolarHBondContact CB-O 3.39Å; I2470-I2487 HydrophobicContact CB-CB 4.33Å; I2470-I2487 PolarHBondContact N-O 3.06Å; I2470-I2487 PolarHBondContact O-N 3.1Å; L2472-I2487 HydrophobicContact CD1-CD1 4.16Å; T2485-I2487 HydrophobicContact CG2-CD1 4.13Å; T2485-I2487 HydrophobicContact CG2-CG1 3.98Å; I2487-T2491 WeakPolarHBondContact CA-OG1 3.43Å; I2487-L2492 HydrophobicContact CG2-CD1 4.38Å; I2487-L2492 HydrophobicContact CG2-CD2 4.04Å; I2487-L2492 HydrophobicContact CG2-CG 4.1Å; I2487-F2506 HydrophobicContact CD1-CD2 4.32Å; I2487-F2506 HydrophobicContact CD1-CE2 3.54Å; I2487-F2506 VanDerWaalsContact CD1-CE2 3.44Å; I2487-F2506 HydrophobicContact CD1-CZ 3.91Å; I2487-F2506 HydrophobicContact CG1-CE2 4.41Å; I2487-F2506 HydrophobicContact CG1-CZ 4.3Å
2488	T	85.7	Confident	71.4	Confident	19.75 Å²	19.75	68.6 Å²	68.6	12%	0.121	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	166.9	178.6	76.1	0	0	0	0	109.6	E2467 F2469 V2486 G2490 T2491 L2492	E2467-T2488 HydrophobicContact CG-CG2 4.4Å; E2467-T2488 WeakPolarHBondContact OE1-CB 3.26Å; E2467-T2488 VanDerWaalsContact OE1-CG2 3.25Å; E2467-T2488 WeakPolarHBondContact OE1-CG2 3.36Å; E2467-T2488 PolarHBondContact OE1-OG1 3.45Å; F2469-T2488 HydrophobicContact CB-CG2 3.95Å; V2486-T2488 HydrophobicContact CG1-CG2 4.11Å; T2488-G2490 PolarHBondContact O-N 3.13Å; T2488-G2490 PolarHBondContact OG1-N 3.1Å; T2488-T2491 PolarHBondContact N-OG1 3.16Å; T2488-T2491 WeakPolarHBondContact O-CA 3.47Å; T2488-T2491 WeakPolarHBondContact O-CB 3.46Å; T2488-T2491 PolarHBondContact O-N 3.03Å; T2488-T2491 PolarHBondContact O-OG1 2.98Å; T2488-T2491 PolarHBondContact OG1-N 3.16Å; T2488-L2492 WeakPolarHBondContact O-CG 3.35Å; T2488-L2492 PolarHBondContact O-N 3.07Å; T2488-L2492 VanDerWaalsContact O-N 3.11Å
2489	Q	81.8	Confident	69.7	Low	52.25 Å²	52.25	72.3 Å²	72.3	24%	0.244	43%	0.426	C	S	.	.	H	α-helix	trans	-59.3	-31.5	175.6	-176.7	41	1.9	0	0	112.5	L2460 L2492 S2493	L2460-Q2489 HydrophobicContact CB-CB 4.23Å; L2460-Q2489 VanDerWaalsContact O-CG 3.3Å; L2460-Q2489 WeakPolarHBondContact O-CG 3.26Å; L2460-Q2489 PolarHBondContact O-OE1 3.15Å; Q2489-L2492 PolarHBondContact O-N 3.05Å; Q2489-S2493 VanDerWaalsContact O-CB 3.31Å; Q2489-S2493 WeakPolarHBondContact O-CB 3.24Å; Q2489-S2493 PolarHBondContact O-N 3.03Å; Q2489-S2493 VanDerWaalsContact O-N 3.08Å; Q2489-S2493 PolarHBondContact O-OG 2.75Å
2490	G	74.3	Confident	67.8	Low	40 Å²	40	73.9 Å²	73.9	41%	0.412	44%	0.436	S	S	.	.	H	α-helix	trans	-59.8	-47.4	172.3	0	0	0	0	0	112.1	T2488 L2492 S2493 M2494	T2488-G2490 PolarHBondContact O-N 3.13Å; T2488-G2490 PolarHBondContact OG1-N 3.1Å; G2490-L2492 VanDerWaalsContact C-N 3.27Å; G2490-L2492 PolarHBondContact O-N 3Å; G2490-S2493 PolarHBondContact O-N 3.04Å; G2490-S2493 VanDerWaalsContact O-N 3.14Å; G2490-S2493 PolarHBondContact O-OG 2.85Å; G2490-M2494 WeakPolarHBondContact O-CG 3.29Å; G2490-M2494 PolarHBondContact O-N 2.96Å
2491	T	74.3	Confident	66.3	Low	58.75 Å²	58.75	74.1 Å²	74.1	36%	0.36	42%	0.42	S	S	.	.	H	α-helix	trans	-64.9	-28.9	177.6	64.5	0	0	0	0	113.5	I2487 T2488 K2502	I2487-T2491 WeakPolarHBondContact CA-OG1 3.43Å; T2488-T2491 PolarHBondContact N-OG1 3.16Å; T2488-T2491 WeakPolarHBondContact O-CA 3.47Å; T2488-T2491 WeakPolarHBondContact O-CB 3.46Å; T2488-T2491 PolarHBondContact O-N 3.03Å; T2488-T2491 PolarHBondContact O-OG1 2.98Å; T2488-T2491 PolarHBondContact OG1-N 3.16Å; T2491-K2502 WeakPolarHBondContact O-CE 3.23Å
2492	L	74.1	Confident	64.9	Low	32 Å²	32	71.7 Å²	71.7	17%	0.168	40%	0.402	C	S	.	.	H	α-helix	trans	-78.7	-30.1	176.7	-65.2	172.5	0	0	0	112.4	V2458 L2460 I2487 T2488 Q2489 G2490 K2502 Y2504	V2458-L2492 HydrophobicContact CG1-CD1 4.33Å; V2458-L2492 HydrophobicContact CG1-CD2 3.91Å; V2458-L2492 HydrophobicContact CG2-CD1 3.91Å; V2458-L2492 HydrophobicContact CG2-CD2 4.36Å; L2460-L2492 HydrophobicContact CB-CD1 4.09Å; L2460-L2492 HydrophobicContact CD1-CD1 3.92Å; L2460-L2492 HydrophobicContact CG-CD1 3.84Å; I2487-L2492 HydrophobicContact CG2-CD1 4.38Å; I2487-L2492 HydrophobicContact CG2-CD2 4.04Å; I2487-L2492 HydrophobicContact CG2-CG 4.1Å; T2488-L2492 WeakPolarHBondContact O-CG 3.35Å; T2488-L2492 PolarHBondContact O-N 3.07Å; T2488-L2492 VanDerWaalsContact O-N 3.11Å; Q2489-L2492 PolarHBondContact O-N 3.05Å; G2490-L2492 VanDerWaalsContact C-N 3.27Å; G2490-L2492 PolarHBondContact O-N 3Å; L2492-K2502 PolarHBondContact O-NZ 2.86Å; L2492-Y2504 HydrophobicContact CD2-CD1 4.38Å; L2492-Y2504 HydrophobicContact CD2-CE1 3.79Å
2493	S	65.1	Low	63.7	Low	63.5 Å²	63.5	73.6 Å²	73.6	44%	0.444	41%	0.411	S	S	.	.	H	α-helix	trans	-84.8	6.1	-174	134.3	0	0	0	0	114.9	Q2489 G2490 N2495 K2502	Q2489-S2493 VanDerWaalsContact O-CB 3.31Å; Q2489-S2493 WeakPolarHBondContact O-CB 3.24Å; Q2489-S2493 PolarHBondContact O-N 3.03Å; Q2489-S2493 VanDerWaalsContact O-N 3.08Å; Q2489-S2493 PolarHBondContact O-OG 2.75Å; G2490-S2493 PolarHBondContact O-N 3.04Å; G2490-S2493 VanDerWaalsContact O-N 3.14Å; G2490-S2493 PolarHBondContact O-OG 2.85Å; S2493-N2495 VanDerWaalsContact C-N 3.27Å; S2493-N2495 PolarHBondContact O-N 2.89Å; S2493-K2502 VanDerWaalsContact C-NZ 3.32Å; S2493-K2502 PolarHBondContact O-NZ 3.02Å
2494	M	51.9	Low	63	Low	136.25 Å²	136.25	73.4 Å²	73.4	67%	0.671	40%	0.404	S	S	*	.			trans	-75.6	60.8	-176.6	-70.8	-70.9	-97.9	0	0	112.4	G2490 G2496 Y2501 K2502	G2490-M2494 WeakPolarHBondContact O-CG 3.29Å; G2490-M2494 PolarHBondContact O-N 2.96Å; M2494-G2496 PolarHBondContact O-N 2.98Å; M2494-G2496 VanDerWaalsContact O-N 3.08Å; M2494-Y2501 WeakPolarHBondContact O-CE1 3.49Å; M2494-K2502 PolarHBondContact SD-NZ 2.89Å
2495	N	45	Very low	62.7	Low	142.75 Å²	142.75	73 Å²	73	76%	0.763	40%	0.404	S	S	*	.			trans	-81.1	84	173.3	-73.5	-20.2	0	0	0	110.2	S2493	S2493-N2495 VanDerWaalsContact C-N 3.27Å; S2493-N2495 PolarHBondContact O-N 2.89Å
2496	G	44	Very low	62.6	Low	47.25 Å²	47.25	72.9 Å²	72.9	49%	0.487	40%	0.401	S	S	.	.	S	Bend	trans	-172.1	-90.9	171	0	0	0	0	0	115.2	M2494 D2498	M2494-G2496 PolarHBondContact O-N 2.98Å; M2494-G2496 VanDerWaalsContact O-N 3.08Å; G2496-D2498 PolarHBondContact O-N 3.49Å
2497	N	40.1	Very low	62.5	Low	147.75 Å²	147.75	71.4 Å²	71.4	79%	0.79	39%	0.391	S	S	*	.	S	Bend	trans	-109.9	-19.9	-167.6	-69.8	-12.2	0	0	0	115.4	L2499	N2497-L2499 PolarHBondContact O-N 3.06Å; N2497-L2499 VanDerWaalsContact O-N 3.11Å
2498	D	41.5	Very low	62.5	Low	131 Å²	131	71.2 Å²	71.2	70%	0.701	39%	0.39	S	S	*	.			trans	-86.1	100.4	174.5	-82.7	-31.6	0	0	0	110.2	G2496 T2500 H2503	G2496-D2498 PolarHBondContact O-N 3.49Å; D2498-T2500 PolarHBondContact O-N 3.04Å; D2498-H2503 VanDerWaalsContact CB-CE1 3.47Å; D2498-H2503 WeakPolarHBondContact CB-CE1 3.45Å; D2498-H2503 PolarHBondContact O-CE1 3.15Å
2499	L	40.6	Very low	62.4	Low	122 Å²	122	71.9 Å²	71.9	64%	0.639	40%	0.396	S	S	*	.			trans	-59.5	42.2	179.2	-71.5	154.1	0	0	0	113.7	N2497 Y2501 K2502 H2503	N2497-L2499 PolarHBondContact O-N 3.06Å; N2497-L2499 VanDerWaalsContact O-N 3.11Å; L2499-Y2501 VanDerWaalsContact C-N 3.3Å; L2499-Y2501 PolarHBondContact O-N 3.04Å; L2499-K2502 HydrophobicContact CB-CD 4.48Å; L2499-K2502 PolarHBondContact O-N 3.02Å; L2499-K2502 VanDerWaalsContact O-N 3.09Å; L2499-H2503 PolarHBondContact O-ND1 3.44Å
2500	T	39.2	Very low	62.3	Low	88.5 Å²	88.5	74.1 Å²	74.1	54%	0.543	42%	0.415	S	S	.	.			trans	-100	55.5	-179.4	50.6	0	0	0	0	110.4	E2386 D2498 K2502 H2503 Y2504	E2386-T2500 WeakPolarHBondContact CB-OG1 3.46Å; E2386-T2500 PolarHBondContact OE2-N 2.82Å; E2386-T2500 PolarHBondContact OE2-OG1 3.41Å; D2498-T2500 PolarHBondContact O-N 3.04Å; T2500-K2502 VanDerWaalsContact C-N 3.26Å; T2500-K2502 PolarHBondContact O-N 3.24Å; T2500-H2503 PolarHBondContact O-N 3.39Å; T2500-Y2504 VanDerWaalsContact O-CD2 3.26Å; T2500-Y2504 WeakPolarHBondContact O-CD2 3.12Å
2501	Y	43.8	Very low	62.6	Low	90.5 Å²	90.5	79.3 Å²	79.3	36%	0.355	43%	0.432	S	S	.	.			trans	-35.4	81.7	170.1	-65.6	-77.4	0	0	0	111.7	L2369 L2383 N2385 E2386 R2389 M2494 L2499 H2503	L2369-Y2501 HydrophobicContact CD1-CE1 4.28Å; L2383-Y2501 HydrophobicContact CD1-CE2 3.86Å; N2385-Y2501 PolarHBondContact O-OH 3.16Å; E2386-Y2501 VanDerWaalsContact CA-OH 3.32Å; E2386-Y2501 WeakPolarHBondContact CA-OH 3.36Å; E2386-Y2501 HydrophobicContact CB-CD2 4.31Å; E2386-Y2501 HydrophobicContact CB-CE1 4.5Å; E2386-Y2501 HydrophobicContact CB-CE2 3.71Å; E2386-Y2501 HydrophobicContact CG-CD2 4.15Å; E2386-Y2501 HydrophobicContact CG-CE2 3.58Å; E2386-Y2501 VanDerWaalsContact O-CE1 3.26Å; E2386-Y2501 WeakPolarHBondContact O-CE1 3.24Å; E2386-Y2501 PolarHBondContact O-OH 3.13Å; E2386-Y2501 WeakPolarHBondContact OE2-CB 3.38Å; E2386-Y2501 WeakPolarHBondContact OE2-CD2 3.42Å; R2389-Y2501 HydrophobicContact CB-CD1 3.94Å; R2389-Y2501 HydrophobicContact CB-CE1 3.5Å; R2389-Y2501 VanDerWaalsContact CB-CE1 3.5Å; R2389-Y2501 VanDerWaalsContact CD-CE1 3.45Å; R2389-Y2501 HydrophobicContact CG-CD1 4.22Å; R2389-Y2501 HydrophobicContact CG-CE1 3.5Å; M2494-Y2501 WeakPolarHBondContact O-CE1 3.49Å; L2499-Y2501 VanDerWaalsContact C-N 3.3Å; L2499-Y2501 PolarHBondContact O-N 3.04Å; Y2501-H2503 PolarHBondContact O-N 2.86Å; Y2501-H2503 PolarHBondContact O-ND1 2.88Å
2502	K	49.7	Very low	63.1	Low	104 Å²	104	79 Å²	79	45%	0.452	43%	0.426	S	S	.	.			trans	-58.1	89.2	176.8	-74	-179.4	176.4	177	0	109.5	Q2363 T2491 L2492 S2493 M2494 L2499 T2500 Y2504	Q2363-K2502 PolarHBondContact O-NZ 3.47Å; T2491-K2502 WeakPolarHBondContact O-CE 3.23Å; L2492-K2502 PolarHBondContact O-NZ 2.86Å; S2493-K2502 VanDerWaalsContact C-NZ 3.32Å; S2493-K2502 PolarHBondContact O-NZ 3.02Å; M2494-K2502 PolarHBondContact SD-NZ 2.89Å; L2499-K2502 HydrophobicContact CB-CD 4.48Å; L2499-K2502 PolarHBondContact O-N 3.02Å; L2499-K2502 VanDerWaalsContact O-N 3.09Å; T2500-K2502 VanDerWaalsContact C-N 3.26Å; T2500-K2502 PolarHBondContact O-N 3.24Å; K2502-Y2504 HydrophobicContact CB-CD2 4.48Å; K2502-Y2504 HydrophobicContact CB-CE1 4.48Å; K2502-Y2504 HydrophobicContact CB-CE2 3.8Å; K2502-Y2504 WeakPolarHBondContact CD-OH 3.5Å; K2502-Y2504 WeakPolarHBondContact O-CD2 3.35Å; K2502-Y2504 PolarHBondContact O-N 3.02Å
2503	H	57.1	Low	63.8	Low	82.5 Å²	82.5	79.3 Å²	79.3	38%	0.382	43%	0.428	S	S	.	.			trans	-64.8	100.4	177.1	-67.1	83	0	0	0	109.4	Q2363 D2498 L2499 T2500 Y2501 T2505 F2506	Q2363-H2503 PolarHBondContact O-CD2 2.88Å; Q2363-H2503 VanDerWaalsContact O-CD2 3.29Å; D2498-H2503 VanDerWaalsContact CB-CE1 3.47Å; D2498-H2503 WeakPolarHBondContact CB-CE1 3.45Å; D2498-H2503 PolarHBondContact O-CE1 3.15Å; L2499-H2503 PolarHBondContact O-ND1 3.44Å; T2500-H2503 PolarHBondContact O-N 3.39Å; Y2501-H2503 PolarHBondContact O-N 2.86Å; Y2501-H2503 PolarHBondContact O-ND1 2.88Å; H2503-T2505 PolarHBondContact O-N 3.17Å; H2503-F2506 HydrophobicContact CB-CE1 3.88Å; H2503-F2506 HydrophobicContact CB-CZ 4.07Å; H2503-F2506 WeakPolarHBondContact O-CE2 3.36Å; H2503-F2506 VanDerWaalsContact O-CZ 3.31Å; H2503-F2506 WeakPolarHBondContact O-CZ 3.3Å
2504	Y	71.7	Confident	65.1	Low	47.5 Å²	47.5	78 Å²	78	19%	0.186	42%	0.415	C	S	.	.	S	Bend	trans	-89.2	4.4	177.7	-64.8	-78	0	0	0	113.4	P2391 R2454 F2455 V2458 L2492 T2500 K2502	P2391-Y2504 VanDerWaalsContact CD-CE2 3.4Å; P2391-Y2504 HydrophobicContact CG-CD1 3.63Å; P2391-Y2504 HydrophobicContact CG-CD2 4.1Å; P2391-Y2504 HydrophobicContact CG-CE1 3.74Å; P2391-Y2504 HydrophobicContact CG-CE2 4.06Å; P2391-Y2504 HydrophobicContact CG-CG 3.91Å; R2454-Y2504 CarbonylContact C-O 3.49Å; R2454-Y2504 VanDerWaalsContact CA-O 3.26Å; R2454-Y2504 WeakPolarHBondContact CA-O 3.36Å; F2455-Y2504 HydrophobicContact CB-CD1 4.28Å; F2455-Y2504 HydrophobicContact CD2-CD1 4.31Å; F2455-Y2504 PolarHBondContact N-O 2.99Å; F2455-Y2504 VanDerWaalsContact N-O 3.1Å; V2458-Y2504 HydrophobicContact CG1-CD1 4.24Å; V2458-Y2504 HydrophobicContact CG1-CE1 4Å; L2492-Y2504 HydrophobicContact CD2-CD1 4.38Å; L2492-Y2504 HydrophobicContact CD2-CE1 3.79Å; T2500-Y2504 VanDerWaalsContact O-CD2 3.26Å; T2500-Y2504 WeakPolarHBondContact O-CD2 3.12Å; K2502-Y2504 HydrophobicContact CB-CD2 4.48Å; K2502-Y2504 HydrophobicContact CB-CE1 4.48Å; K2502-Y2504 HydrophobicContact CB-CE2 3.8Å; K2502-Y2504 WeakPolarHBondContact CD-OH 3.5Å; K2502-Y2504 WeakPolarHBondContact O-CD2 3.35Å; K2502-Y2504 PolarHBondContact O-N 3.02Å
2505	T	76.8	Confident	67	Low	36.25 Å²	36.25	71.5 Å²	71.5	22%	0.222	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.6	177.7	-33.2	0	0	0	0	109	A2452 W2453 R2454 H2503 I2507	A2452-T2505 HydrophobicContact CB-CG2 4.47Å; W2453-T2505 CarbonylContact O-C 3.54Å; W2453-T2505 VanDerWaalsContact O-CA 3.26Å; W2453-T2505 WeakPolarHBondContact O-CA 3.31Å; R2454-T2505 HydrophobicContact CB-CG2 4.29Å; R2454-T2505 HydrophobicContact CG-CG2 3.84Å; H2503-T2505 PolarHBondContact O-N 3.17Å; T2505-I2507 HydrophobicContact CG2-CG1 4.4Å
2506	F	84.4	Confident	69.2	Low	24.5 Å²	24.5	64.7 Å²	64.7	11%	0.107	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.6	-178.4	-57.8	-80.1	0	0	0	109.1	A2452 W2453 F2455 L2472 I2484 T2485 I2487 H2503	A2452-F2506 CarbonylContact C-O 3.52Å; A2452-F2506 WeakPolarHBondContact CA-O 3.31Å; W2453-F2506 PolarHBondContact N-O 2.97Å; W2453-F2506 PolarHBondContact O-N 3.07Å; F2455-F2506 HydrophobicContact CD2-CE2 4.36Å; F2455-F2506 HydrophobicContact CE2-CD2 4.34Å; F2455-F2506 AromaticContact CE2-CE2 3.92Å; F2455-F2506 HydrophobicContact CE2-CE2 4.03Å; L2472-F2506 HydrophobicContact CD1-CB 3.83Å; L2472-F2506 HydrophobicContact CD1-CD1 4.49Å; L2472-F2506 HydrophobicContact CD1-CD2 3.45Å; L2472-F2506 VanDerWaalsContact CD1-CD2 3.45Å; L2472-F2506 HydrophobicContact CD1-CE2 4.16Å; L2472-F2506 HydrophobicContact CD1-CG 3.67Å; I2484-F2506 HydrophobicContact CG2-CB 4.14Å; I2484-F2506 HydrophobicContact CG2-CD1 4.28Å; T2485-F2506 HydrophobicContact CG2-CD1 3.49Å; T2485-F2506 VanDerWaalsContact CG2-CD1 3.45Å; T2485-F2506 HydrophobicContact CG2-CD2 4.21Å; T2485-F2506 HydrophobicContact CG2-CE1 3.45Å; T2485-F2506 HydrophobicContact CG2-CE2 4.18Å; T2485-F2506 HydrophobicContact CG2-CG 3.88Å; T2485-F2506 HydrophobicContact CG2-CZ 3.8Å; I2487-F2506 HydrophobicContact CD1-CD2 4.32Å; I2487-F2506 HydrophobicContact CD1-CE2 3.54Å; I2487-F2506 VanDerWaalsContact CD1-CE2 3.44Å; I2487-F2506 HydrophobicContact CD1-CZ 3.91Å; I2487-F2506 HydrophobicContact CG1-CE2 4.41Å; I2487-F2506 HydrophobicContact CG1-CZ 4.3Å; H2503-F2506 HydrophobicContact CB-CE1 3.88Å; H2503-F2506 HydrophobicContact CB-CZ 4.07Å; H2503-F2506 WeakPolarHBondContact O-CE2 3.36Å; H2503-F2506 VanDerWaalsContact O-CZ 3.31Å; H2503-F2506 WeakPolarHBondContact O-CZ 3.3Å
2507	I	83.5	Confident	71.6	Confident	25.5 Å²	25.5	62.4 Å²	62.4	13%	0.131	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.7	-172.7	-47.3	176.5	0	0	0	109.6	P2341 V2342 R2450 L2451 A2452 T2505 L2538	P2341-I2507 HydrophobicContact CB-CD1 4.04Å; P2341-I2507 HydrophobicContact CG-CD1 3.46Å; P2341-I2507 VanDerWaalsContact CG-CD1 3.43Å; P2341-I2507 HydrophobicContact CG-CG1 3.98Å; V2342-I2507 HydrophobicContact CG2-CD1 3.96Å; R2450-I2507 HydrophobicContact CB-CG2 4.29Å; R2450-I2507 VanDerWaalsContact NE-CG2 3.32Å; R2450-I2507 VanDerWaalsContact NH2-CG2 3.31Å; L2451-I2507 WeakPolarHBondContact O-CA 3.37Å; L2451-I2507 WeakPolarHBondContact O-CG2 3.36Å; A2452-I2507 HydrophobicContact CB-CD1 4.47Å; A2452-I2507 HydrophobicContact CB-CG1 4.1Å; A2452-I2507 HydrophobicContact CB-CG2 4.4Å; T2505-I2507 HydrophobicContact CG2-CG1 4.4Å; I2507-L2538 HydrophobicContact CD1-CD1 4.03Å; I2507-L2538 HydrophobicContact CG2-CD1 4.07Å
2508	T	86.7	Confident	74.1	Confident	2.25 Å²	2.25	56.4 Å²	56.4	1%	0.014	29%	0.289	C	S	.	.			trans	-60	154.1	168.9	59.6	0	0	0	0	111.8	R2450 L2451 N2474 H2512 E2514 F2515	R2450-T2508 VanDerWaalsContact CA-OG1 3.3Å; R2450-T2508 WeakPolarHBondContact CA-OG1 3.34Å; R2450-T2508 VanDerWaalsContact CB-OG1 3.31Å; R2450-T2508 WeakPolarHBondContact CB-OG1 3.37Å; R2450-T2508 WeakPolarHBondContact CD-O 3.34Å; R2450-T2508 VanDerWaalsContact CZ-O 3.27Å; R2450-T2508 PolarHBondContact NE-O 3.14Å; R2450-T2508 PolarHBondContact NH2-O 2.88Å; L2451-T2508 HydrophobicContact CB-CG2 4.08Å; L2451-T2508 PolarHBondContact N-OG1 3.17Å; L2451-T2508 VanDerWaalsContact N-OG1 3.08Å; L2451-T2508 PolarHBondContact O-N 3.11Å; L2451-T2508 PolarHBondContact O-OG1 3.16Å; N2474-T2508 WeakPolarHBondContact OD1-CA 3.46Å; T2508-H2512 VanDerWaalsContact CB-O 3.28Å; T2508-H2512 WeakPolarHBondContact CB-O 3.3Å; T2508-H2512 HydrophobicContact CG2-CB 4.47Å; T2508-H2512 PolarHBondContact OG1-O 3.09Å; T2508-E2514 WeakPolarHBondContact CG2-O 3.4Å; T2508-F2515 HydrophobicContact CG2-CB 3.83Å; T2508-F2515 HydrophobicContact CG2-CD2 3.58Å; T2508-F2515 HydrophobicContact CG2-CG 4.2Å
2509	S	84.9	Confident	76.5	Confident	35.25 Å²	35.25	50.1 Å²	50.1	25%	0.247	26%	0.256	C	S	.	.			trans	-62	156.2	167.3	81.3	0	0	0	0	110.9	N2474 I2511 H2512	N2474-S2509 PolarHBondContact OD1-N 3.25Å; N2474-S2509 PolarHBondContact OD1-OG 2.91Å; S2509-I2511 PolarHBondContact O-N 2.99Å; S2509-I2511 PolarHBondContact OG-N 2.73Å; S2509-H2512 PolarHBondContact O-N 3.03Å; S2509-H2512 VanDerWaalsContact O-N 3.07Å; S2509-H2512 PolarHBondContact OG-CD2 3.09Å; S2509-H2512 PolarHBondContact OG-ND1 2.81Å
2510	P	79.3	Confident	78.8	Confident	98.25 Å²	98.25	45.2 Å²	45.2	64%	0.638	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.5	-177	-26.4	35.6	0	0	0	116.5
2511	I	81.2	Confident	81.1	Confident	150 Å²	150	41 Å²	41	77%	0.769	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-12.8	-178.4	-32	172.5	0	0	0	111.7	S2509	S2509-I2511 PolarHBondContact O-N 2.99Å; S2509-I2511 PolarHBondContact OG-N 2.73Å
2512	H	84.5	Confident	83	Confident	51.25 Å²	51.25	36.7 Å²	36.7	24%	0.237	19%	0.187	C	C	.	.			trans	-108.2	119.6	-175.6	-67	-44.4	0	0	0	111.8	N2474 G2475 T2508 S2509 E2514	N2474-H2512 HydrophobicContact CB-CB 4.46Å; N2474-H2512 VanDerWaalsContact CB-CD2 3.49Å; N2474-H2512 WeakPolarHBondContact CB-CD2 3.44Å; G2475-H2512 PolarHBondContact N-CD2 3.22Å; T2508-H2512 VanDerWaalsContact CB-O 3.28Å; T2508-H2512 WeakPolarHBondContact CB-O 3.3Å; T2508-H2512 HydrophobicContact CG2-CB 4.47Å; T2508-H2512 PolarHBondContact OG1-O 3.09Å; S2509-H2512 PolarHBondContact O-N 3.03Å; S2509-H2512 VanDerWaalsContact O-N 3.07Å; S2509-H2512 PolarHBondContact OG-CD2 3.09Å; S2509-H2512 PolarHBondContact OG-ND1 2.81Å; H2512-E2514 VanDerWaalsContact C-N 3.33Å
2513	D	89.6	Confident	84.4	Confident	37.5 Å²	37.5	31.8 Å²	31.8	20%	0.201	17%	0.166	C	C	.	.			trans	-98.2	7.9	168.9	59.2	-9.1	0	0	0	112.8	R2443 S2444 P2447 G2448 R2449 L2451	R2443-D2513 CarbonylContact C-O 3.52Å; S2444-D2513 PolarHBondContact N-O 2.84Å; P2447-D2513 VanDerWaalsContact CA-OD2 3.23Å; P2447-D2513 WeakPolarHBondContact CA-OD2 3.32Å; G2448-D2513 PolarHBondContact N-OD2 3Å; R2449-D2513 VanDerWaalsContact O-CA 3.28Å; R2449-D2513 WeakPolarHBondContact O-CA 3.36Å; R2449-D2513 WeakPolarHBondContact O-CB 3.39Å; L2451-D2513 WeakPolarHBondContact CD1-O 3.45Å
2514	E	91	Very high	85.5	Confident	36.25 Å²	36.25	28 Å²	28	17%	0.169	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138	178.7	-69.6	178.1	159.9	0	0	110.7	F2442 R2443 G2475 V2476 T2508 H2512	F2442-E2514 CarbonylContact O-C 3.53Å; F2442-E2514 VanDerWaalsContact O-CA 3.3Å; F2442-E2514 WeakPolarHBondContact O-CA 3.41Å; R2443-E2514 HydrophobicContact CB-CG 4.15Å; R2443-E2514 HydrophobicContact CG-CG 3.98Å; R2443-E2514 IonicContact CZ-OE1 3.33Å; R2443-E2514 IonicContact NE-OE1 3.08Å; R2443-E2514 PolarHBondContact NE-OE1 3.19Å; R2443-E2514 IonicContact NH1-OE1 2.74Å; R2443-E2514 PolarHBondContact NH1-OE1 3.19Å; R2443-E2514 VanDerWaalsContact NH1-OE1 3.12Å; R2443-E2514 IonicContact NH2-OE1 2.79Å; R2443-E2514 PolarHBondContact NH2-OE1 2.91Å; G2475-E2514 WeakPolarHBondContact CA-O 3.37Å; G2475-E2514 PolarHBondContact N-O 3.01Å; V2476-E2514 VanDerWaalsContact CG2-OE2 3.29Å; V2476-E2514 WeakPolarHBondContact CG2-OE2 3.35Å; T2508-E2514 WeakPolarHBondContact CG2-O 3.4Å; H2512-E2514 VanDerWaalsContact C-N 3.33Å
2515	F	91.9	Very high	85.6	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	118	-176.1	-174.9	-93.3	0	0	0	109.4	F2442 L2451 W2453 L2472 I2484 T2508 V2517 I2535	F2442-F2515 HydrophobicContact CB-CB 4.48Å; F2442-F2515 HydrophobicContact CD2-CD1 4.31Å; F2442-F2515 PolarHBondContact N-O 2.88Å; F2442-F2515 PolarHBondContact O-N 3.1Å; L2451-F2515 HydrophobicContact CB-CB 4.08Å; L2451-F2515 HydrophobicContact CD1-CB 3.84Å; W2453-F2515 HydrophobicContact CB-CD1 4.46Å; W2453-F2515 HydrophobicContact CB-CE1 3.49Å; W2453-F2515 VanDerWaalsContact CB-CE1 3.46Å; W2453-F2515 HydrophobicContact CB-CE2 4.11Å; W2453-F2515 HydrophobicContact CB-CZ 3.28Å; W2453-F2515 AromaticContact CD2-CE1 3.92Å; W2453-F2515 HydrophobicContact CD2-CE1 3.92Å; W2453-F2515 HydrophobicContact CD2-CZ 4.41Å; W2453-F2515 HydrophobicContact CE3-CD1 4.4Å; W2453-F2515 AromaticContact CE3-CE1 3.75Å; W2453-F2515 HydrophobicContact CE3-CE1 3.75Å; W2453-F2515 AromaticContact CG-CE1 3.85Å; W2453-F2515 HydrophobicContact CG-CE1 3.85Å; W2453-F2515 AromaticContact CG-CZ 3.87Å; W2453-F2515 HydrophobicContact CG-CZ 3.87Å; L2472-F2515 HydrophobicContact CB-CE1 4.43Å; L2472-F2515 HydrophobicContact CB-CE2 4.34Å; L2472-F2515 HydrophobicContact CB-CZ 3.8Å; L2472-F2515 HydrophobicContact CD1-CZ 3.98Å; L2472-F2515 HydrophobicContact CD2-CE1 3.99Å; L2472-F2515 HydrophobicContact CD2-CZ 3.92Å; L2472-F2515 HydrophobicContact CG-CZ 4.1Å; I2484-F2515 HydrophobicContact CD1-CD2 3.87Å; I2484-F2515 HydrophobicContact CD1-CE2 3.51Å; I2484-F2515 VanDerWaalsContact CD1-CE2 3.47Å; I2484-F2515 HydrophobicContact CD1-CZ 4.48Å; T2508-F2515 HydrophobicContact CG2-CB 3.83Å; T2508-F2515 HydrophobicContact CG2-CD2 3.58Å; T2508-F2515 HydrophobicContact CG2-CG 4.2Å; F2515-V2517 HydrophobicContact CD1-CG2 3.65Å; F2515-V2517 HydrophobicContact CE1-CG2 3.34Å; F2515-V2517 HydrophobicContact CZ-CG2 4.42Å; F2515-I2535 HydrophobicContact CB-CD1 4.4Å; F2515-I2535 HydrophobicContact CD1-CD1 3.95Å; F2515-I2535 HydrophobicContact CE1-CD1 4.38Å; F2515-I2535 HydrophobicContact CG-CD1 4.36Å
2516	S	92.3	Very high	85.7	Confident	0.5 Å²	0.5	25.2 Å²	25.2	0%	0.003	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.3	178.7	-49.1	0	0	0	0	111.7	K2440 Y2473 G2475 V2476 Q2478	K2440-S2516 CarbonylContact O-C 3.46Å; K2440-S2516 WeakPolarHBondContact O-CA 3.36Å; Y2473-S2516 WeakPolarHBondContact CB-OG 3.47Å; Y2473-S2516 PolarHBondContact N-O 3.05Å; Y2473-S2516 PolarHBondContact O-N 3.02Å; Y2473-S2516 VanDerWaalsContact O-N 3.08Å; G2475-S2516 VanDerWaalsContact O-CB 3.3Å; G2475-S2516 WeakPolarHBondContact O-CB 3.38Å; G2475-S2516 PolarHBondContact O-N 2.74Å; G2475-S2516 PolarHBondContact O-OG 3.07Å; V2476-S2516 WeakPolarHBondContact CA-OG 3.22Å; Q2478-S2516 PolarHBondContact NE2-OG 2.95Å
2517	V	93.6	Very high	85.3	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.6	179.8	-176.5	0	0	0	0	108.6	M2409 T2439 K2440 F2442 W2453 I2470 Q2471 L2472 F2515 V2519	M2409-V2517 HydrophobicContact CE-CB 3.82Å; M2409-V2517 HydrophobicContact CE-CG1 3.59Å; M2409-V2517 HydrophobicContact CE-CG2 4.27Å; M2409-V2517 VanDerWaalsContact CE-O 3.26Å; M2409-V2517 WeakPolarHBondContact CE-O 3.45Å; M2409-V2517 HydrophobicContact SD-CB 4.37Å; M2409-V2517 HydrophobicContact SD-CG1 4.08Å; T2439-V2517 CarbonylContact C-O 3.41Å; T2439-V2517 VanDerWaalsContact CA-O 3.31Å; T2439-V2517 WeakPolarHBondContact CA-O 3.27Å; K2440-V2517 PolarHBondContact N-O 3.3Å; K2440-V2517 PolarHBondContact O-N 3.03Å; F2442-V2517 HydrophobicContact CD2-CG2 4.21Å; F2442-V2517 HydrophobicContact CE2-CB 4.42Å; F2442-V2517 HydrophobicContact CE2-CG2 3.94Å; W2453-V2517 HydrophobicContact CD2-CG2 4.39Å; W2453-V2517 HydrophobicContact CE3-CG2 3.86Å; W2453-V2517 HydrophobicContact CH2-CG1 4.1Å; W2453-V2517 HydrophobicContact CH2-CG2 4.23Å; W2453-V2517 HydrophobicContact CZ2-CG1 4.37Å; W2453-V2517 HydrophobicContact CZ3-CB 4.36Å; W2453-V2517 HydrophobicContact CZ3-CG1 4.19Å; W2453-V2517 HydrophobicContact CZ3-CG2 3.76Å; I2470-V2517 HydrophobicContact CG2-CG1 4.01Å; Q2471-V2517 WeakPolarHBondContact O-CA 3.28Å; L2472-V2517 HydrophobicContact CD2-CB 4.25Å; L2472-V2517 HydrophobicContact CD2-CG1 3.82Å; L2472-V2517 HydrophobicContact CD2-CG2 3.78Å; F2515-V2517 HydrophobicContact CD1-CG2 3.65Å; F2515-V2517 HydrophobicContact CE1-CG2 3.34Å; F2515-V2517 HydrophobicContact CZ-CG2 4.42Å; V2517-V2519 HydrophobicContact CG1-CG2 4.12Å
2518	Y	92.3	Very high	85.2	Confident	20.5 Å²	20.5	27.2 Å²	27.2	8%	0.08	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.5	172.2	177.2	-117.8	0	0	0	109	S2437 C2438 T2439 F2469 I2470 Q2471 H2520	S2437-Y2518 PolarHBondContact OG-OH 3.16Å; C2438-Y2518 WeakPolarHBondContact O-CA 3.25Å; T2439-Y2518 HydrophobicContact CG2-CD2 3.38Å; T2439-Y2518 HydrophobicContact CG2-CE2 4.1Å; T2439-Y2518 HydrophobicContact CG2-CG 4.02Å; T2439-Y2518 WeakPolarHBondContact OG1-CD2 3.27Å; F2469-Y2518 AromaticContact CE2-CD1 3.84Å; F2469-Y2518 HydrophobicContact CE2-CD1 3.84Å; F2469-Y2518 AromaticContact CE2-CE1 3.69Å; F2469-Y2518 HydrophobicContact CE2-CE1 3.69Å; F2469-Y2518 AromaticContact CZ-CE1 3.96Å; F2469-Y2518 HydrophobicContact CZ-CE1 3.99Å; I2470-Y2518 CarbonylContact C-O 3.58Å; I2470-Y2518 WeakPolarHBondContact CA-O 3.42Å; Q2471-Y2518 HydrophobicContact CB-CD1 4.45Å; Q2471-Y2518 PolarHBondContact N-O 3.1Å; Q2471-Y2518 PolarHBondContact O-N 3.01Å; Y2518-H2520 HydrophobicContact CE1-CB 4.19Å
2519	V	92	Very high	85.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.7	177.7	176	0	0	0	0	108.1	M2409 F2426 S2437 C2438 I2470 V2517 T2521 F2531	M2409-V2519 HydrophobicContact CE-CG2 4.07Å; M2409-V2519 HydrophobicContact CG-CB 4.42Å; M2409-V2519 HydrophobicContact CG-CG2 3.86Å; M2409-V2519 HydrophobicContact SD-CG2 4.32Å; F2426-V2519 HydrophobicContact CD1-CG1 4.36Å; F2426-V2519 HydrophobicContact CD2-CG1 4.36Å; F2426-V2519 HydrophobicContact CE1-CG1 4.21Å; F2426-V2519 HydrophobicContact CE2-CG1 4.19Å; F2426-V2519 HydrophobicContact CG-CG1 4.42Å; F2426-V2519 HydrophobicContact CZ-CG1 4.13Å; S2437-V2519 CarbonylContact C-O 3.56Å; S2437-V2519 VanDerWaalsContact CA-O 3.25Å; S2437-V2519 WeakPolarHBondContact CA-O 3.35Å; C2438-V2519 PolarHBondContact N-O 3.01Å; C2438-V2519 PolarHBondContact O-N 3.03Å; I2470-V2519 HydrophobicContact CG1-CG2 4.27Å; I2470-V2519 HydrophobicContact CG2-CG2 4.18Å; V2517-V2519 HydrophobicContact CG1-CG2 4.12Å; V2519-T2521 HydrophobicContact CG1-CG2 3.84Å; V2519-F2531 HydrophobicContact CG1-CE1 4.32Å; V2519-F2531 HydrophobicContact CG2-CE1 3.8Å; V2519-F2531 HydrophobicContact CG2-CZ 3.84Å
2520	H	89.3	Confident	85.5	Confident	17.75 Å²	17.75	27.4 Å²	27.4	8%	0.082	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.9	175.1	-177.6	-89	0	0	0	109.6	E1668 F1722 I2435 H2436 S2437 E2467 N2468 F2469 Y2518	E1668-H2520 IonicContact OE1-CD2 2.84Å; E1668-H2520 IonicContact OE1-CE1 2.63Å; E1668-H2520 IonicContact OE1-NE2 3.23Å; E1668-H2520 PolarHBondContact OE1-NE2 3.11Å; F1722-H2520 AromaticContact CD1-CE1 3.96Å; F1722-H2520 AromaticContact CE1-CE1 3.64Å; I2435-H2520 WeakPolarHBondContact CG2-CE1 3.15Å; I2435-H2520 VanDerWaalsContact CG2-NE2 3.33Å; I2435-H2520 WeakPolarHBondContact CG2-NE2 3.31Å; H2436-H2520 CarbonylContact O-C 3.6Å; H2436-H2520 WeakPolarHBondContact O-CA 3.2Å; S2437-H2520 PolarHBondContact OG-CD2 3.08Å; S2437-H2520 VanDerWaalsContact OG-CD2 3.25Å; S2437-H2520 PolarHBondContact OG-ND1 3.12Å; E2467-H2520 PolarHBondContact O-ND1 3.14Å; N2468-H2520 CarbonylContact C-O 3.56Å; N2468-H2520 WeakPolarHBondContact CA-O 3.45Å; F2469-H2520 HydrophobicContact CD1-CB 4.2Å; F2469-H2520 HydrophobicContact CD2-CB 3.99Å; F2469-H2520 HydrophobicContact CE1-CB 3.8Å; F2469-H2520 AromaticContact CE1-CD2 3.9Å; F2469-H2520 AromaticContact CE1-CG 3.82Å; F2469-H2520 AromaticContact CE1-ND1 3.68Å; F2469-H2520 HydrophobicContact CE2-CB 3.59Å; F2469-H2520 VanDerWaalsContact CE2-CB 3.46Å; F2469-H2520 HydrophobicContact CG-CB 4.29Å; F2469-H2520 HydrophobicContact CZ-CB 3.49Å; F2469-H2520 VanDerWaalsContact CZ-CB 3.45Å; F2469-H2520 AromaticContact CZ-CG 3.84Å; F2469-H2520 PolarHBondContact N-O 3.08Å; F2469-H2520 PolarHBondContact O-N 3.29Å; Y2518-H2520 HydrophobicContact CE1-CB 4.19Å
2521	T	88	Confident	86.1	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.9	-174	55.8	0	0	0	0	113.1	F2426 Y2428 I2435 H2436 N2468 V2519	F2426-T2521 HydrophobicContact CE1-CG2 3.77Å; F2426-T2521 HydrophobicContact CZ-CG2 3.95Å; F2426-T2521 VanDerWaalsContact CZ-OG1 3.29Å; F2426-T2521 WeakPolarHBondContact CZ-OG1 3.28Å; Y2428-T2521 HydrophobicContact CE1-CG2 3.87Å; Y2428-T2521 HydrophobicContact CE2-CG2 4.17Å; Y2428-T2521 WeakPolarHBondContact OH-CG2 3.37Å; I2435-T2521 CarbonylContact C-O 3.55Å; I2435-T2521 WeakPolarHBondContact CA-O 3.36Å; I2435-T2521 WeakPolarHBondContact CG2-O 3.39Å; H2436-T2521 WeakPolarHBondContact CB-OG1 3.29Å; H2436-T2521 PolarHBondContact N-O 3.07Å; H2436-T2521 PolarHBondContact O-N 3.04Å; H2436-T2521 PolarHBondContact O-OG1 3.26Å; H2436-T2521 VanDerWaalsContact O-OG1 3.06Å; N2468-T2521 VanDerWaalsContact OD1-CA 3.28Å; N2468-T2521 WeakPolarHBondContact OD1-CA 3.38Å; V2519-T2521 HydrophobicContact CG1-CG2 3.84Å
2522	S	83.9	Confident	86.6	Confident	0.75 Å²	0.75	15.6 Å²	15.6	1%	0.005	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	154.6	168.8	64.1	0	0	0	0	111.8	Y2428 D2463 N2468 V2524	Y2428-S2522 WeakPolarHBondContact CD1-O 3.38Å; Y2428-S2522 WeakPolarHBondContact CE1-O 3.33Å; D2463-S2522 WeakPolarHBondContact CB-OG 3.41Å; D2463-S2522 VanDerWaalsContact OD2-CB 3.32Å; D2463-S2522 WeakPolarHBondContact OD2-CB 3.13Å; D2463-S2522 PolarHBondContact OD2-OG 2.99Å; N2468-S2522 PolarHBondContact ND2-OG 2.96Å; N2468-S2522 WeakPolarHBondContact OD1-CB 3.03Å; N2468-S2522 PolarHBondContact OD1-N 2.87Å; N2468-S2522 PolarHBondContact OD1-OG 2.96Å; S2522-V2524 PolarHBondContact O-N 2.81Å
2523	S	78.9	Confident	86.9	Confident	2.25 Å²	2.25	13.1 Å²	13.1	2%	0.016	6%	0.061	C	C	.	.			trans	-65.2	133	175.5	146.1	0	0	0	0	111.8	R2192 L2432 G2434	R2192-S2523 PolarHBondContact NH1-O 2.99Å; R2192-S2523 PolarHBondContact NH2-O 2.86Å; L2432-S2523 PolarHBondContact O-OG 3.04Å; G2434-S2523 PolarHBondContact N-OG 3.3Å; G2434-S2523 VanDerWaalsContact O-CB 3.25Å; G2434-S2523 WeakPolarHBondContact O-CB 3.37Å; G2434-S2523 PolarHBondContact O-N 3.02Å; G2434-S2523 PolarHBondContact O-OG 3Å
2524	V	79.4	Confident	86.8	Confident	2.25 Å²	2.25	11.3 Å²	11.3	1%	0.014	5%	0.052	C	C	.	.			trans	-141.2	142.8	179.7	-179.6	0	0	0	0	108.6	Y2428 S2429 S2430 Y2461 S2522 D2526 Y2529	Y2428-V2524 HydrophobicContact CD1-CB 3.88Å; Y2428-V2524 HydrophobicContact CD1-CG2 3.73Å; Y2428-V2524 HydrophobicContact CE1-CG2 4.06Å; Y2428-V2524 HydrophobicContact CG-CB 4.4Å; S2429-V2524 CarbonylContact C-O 3.53Å; S2429-V2524 VanDerWaalsContact C-O 3.23Å; S2430-V2524 PolarHBondContact N-O 2.83Å; S2430-V2524 VanDerWaalsContact N-O 3.09Å; Y2461-V2524 HydrophobicContact CD1-CG2 3.28Å; Y2461-V2524 HydrophobicContact CD2-CG2 4.34Å; Y2461-V2524 HydrophobicContact CE1-CG2 3.94Å; Y2461-V2524 HydrophobicContact CG-CG1 4.49Å; Y2461-V2524 HydrophobicContact CG-CG2 3.59Å; S2522-V2524 PolarHBondContact O-N 2.81Å; V2524-D2526 HydrophobicContact CG1-CB 4.23Å; V2524-Y2529 HydrophobicContact CG1-CD2 3.69Å; V2524-Y2529 HydrophobicContact CG1-CE2 4.05Å
2525	S	74.4	Confident	86.7	Confident	4 Å²	4	9.6 Å²	9.6	3%	0.028	4%	0.043	C	C	.	.			trans	-98.3	-2	-177.1	61.6	0	0	0	0	114.7	S2130	S2130-S2525 WeakPolarHBondContact CB-O 3.41Å; S2130-S2525 WeakPolarHBondContact CB-OG 3.41Å; S2130-S2525 VanDerWaalsContact OG-CB 3.28Å; S2130-S2525 WeakPolarHBondContact OG-CB 3.42Å; S2130-S2525 PolarHBondContact OG-O 3.16Å; S2130-S2525 PolarHBondContact OG-OG 2.78Å
2526	D	77.7	Confident	86.4	Confident	20.25 Å²	20.25	10 Å²	10	11%	0.108	5%	0.045	C	C	.	.			trans	-96.4	126	179.8	-170.4	-3.3	0	0	0	110.9	V2524 K2528 Y2529	V2524-D2526 HydrophobicContact CG1-CB 4.23Å; D2526-K2528 VanDerWaalsContact C-N 3.3Å; D2526-K2528 PolarHBondContact O-N 3.07Å; D2526-K2528 VanDerWaalsContact O-N 3.13Å; D2526-K2528 WeakPolarHBondContact OD1-CD 3.44Å; D2526-K2528 VanDerWaalsContact OD1-CG 3.31Å; D2526-K2528 WeakPolarHBondContact OD1-CG 3.32Å; D2526-K2528 PolarHBondContact OD1-N 3.08Å; D2526-K2528 VanDerWaalsContact OD1-N 3.15Å; D2526-K2528 IonicContact OD1-NZ 2.78Å; D2526-K2528 WeakPolarHBondContact OD2-CD 3.46Å; D2526-K2528 WeakPolarHBondContact OD2-CE 3.35Å; D2526-K2528 IonicContact OD2-NZ 2.74Å; D2526-K2528 PolarHBondContact OD2-NZ 3.16Å; D2526-Y2529 HydrophobicContact CB-CD2 4.07Å; D2526-Y2529 HydrophobicContact CB-CE2 4.03Å
2527	D	76	Confident	86.1	Confident	12.75 Å²	12.75	10 Å²	10	7%	0.068	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.5	-174.5	-64.4	-71.8	0	0	0	114.2	T2131 K2398 N2399 K2427 Y2529	T2131-D2527 PolarHBondContact OG1-OD2 2.97Å; K2398-D2527 HydrophobicContact CB-CB 4.45Å; K2398-D2527 WeakPolarHBondContact O-CB 3.11Å; N2399-D2527 WeakPolarHBondContact CA-OD1 3.45Å; N2399-D2527 PolarHBondContact N-OD1 2.94Å; N2399-D2527 VanDerWaalsContact N-OD1 3.1Å; N2399-D2527 PolarHBondContact OD1-OD2 2.93Å; K2427-D2527 WeakPolarHBondContact CE-OD1 3.27Å; K2427-D2527 IonicContact NZ-OD1 3.17Å; K2427-D2527 PolarHBondContact NZ-OD1 2.89Å; D2527-Y2529 VanDerWaalsContact C-N 3.3Å; D2527-Y2529 PolarHBondContact O-N 2.85Å
2528	K	82.6	Confident	85.5	Confident	78.5 Å²	78.5	10.6 Å²	10.6	34%	0.341	5%	0.048	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.4	-177.6	-47.1	-177	-173.2	-177.9	0	114.6	K2127 E2394 Y2395 N2459 D2526	K2127-K2528 PolarHBondContact O-NZ 3.46Å; E2394-K2528 IonicContact OE1-NZ 3.94Å; Y2395-K2528 WeakPolarHBondContact CB-O 3.29Å; Y2395-K2528 PolarHBondContact N-O 3.15Å; Y2395-K2528 VanDerWaalsContact N-O 3.09Å; N2459-K2528 PolarHBondContact ND2-O 3.21Å; D2526-K2528 VanDerWaalsContact C-N 3.3Å; D2526-K2528 PolarHBondContact O-N 3.07Å; D2526-K2528 VanDerWaalsContact O-N 3.13Å; D2526-K2528 WeakPolarHBondContact OD1-CD 3.44Å; D2526-K2528 VanDerWaalsContact OD1-CG 3.31Å; D2526-K2528 WeakPolarHBondContact OD1-CG 3.32Å; D2526-K2528 PolarHBondContact OD1-N 3.08Å; D2526-K2528 VanDerWaalsContact OD1-N 3.15Å; D2526-K2528 IonicContact OD1-NZ 2.78Å; D2526-K2528 WeakPolarHBondContact OD2-CD 3.46Å; D2526-K2528 WeakPolarHBondContact OD2-CE 3.35Å; D2526-K2528 IonicContact OD2-NZ 2.74Å; D2526-K2528 PolarHBondContact OD2-NZ 3.16Å
2529	Y	87.5	Confident	84.8	Confident	42.5 Å²	42.5	14 Å²	14	17%	0.167	7%	0.073	C	C	.	.			trans	-94.7	136.9	-177.4	-61	-74.1	0	0	0	111.1	Y2428 N2459 Y2461 V2524 D2526 D2527	Y2428-Y2529 VanDerWaalsContact CD2-C 3.44Å; Y2428-Y2529 VanDerWaalsContact CD2-CB 3.45Å; Y2428-Y2529 VanDerWaalsContact CD2-O 3.32Å; Y2428-Y2529 WeakPolarHBondContact CD2-O 3.42Å; Y2428-Y2529 PolarHBondContact N-O 3.04Å; N2459-Y2529 HydrophobicContact CB-CD1 4.44Å; N2459-Y2529 WeakPolarHBondContact ND2-CD1 3.39Å; N2459-Y2529 WeakPolarHBondContact O-CA 3.39Å; Y2461-Y2529 HydrophobicContact CD2-CD2 4.49Å; Y2461-Y2529 HydrophobicContact CD2-CE1 4.17Å; Y2461-Y2529 AromaticContact CD2-CE2 3.93Å; Y2461-Y2529 HydrophobicContact CD2-CE2 4.1Å; Y2461-Y2529 AromaticContact CD2-CZ 3.82Å; V2524-Y2529 HydrophobicContact CG1-CD2 3.69Å; V2524-Y2529 HydrophobicContact CG1-CE2 4.05Å; D2526-Y2529 HydrophobicContact CB-CD2 4.07Å; D2526-Y2529 HydrophobicContact CB-CE2 4.03Å; D2527-Y2529 VanDerWaalsContact C-N 3.3Å; D2527-Y2529 PolarHBondContact O-N 2.85Å
2530	G	89.1	Confident	83.8	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.1	-175.3	-175.6	0	0	0	0	0	111.9	F2426 N2459	F2426-G2530 CarbonylContact O-C 3.56Å; F2426-G2530 WeakPolarHBondContact O-CA 3.36Å; N2459-G2530 PolarHBondContact N-O 3.04Å; N2459-G2530 PolarHBondContact O-N 3.15Å
2531	F	92	Very high	82.9	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.4	172.2	68.3	-100.5	0	0	0	112.2	M2409 V2424 Q2425 F2426 W2453 F2455 A2457 V2458 I2470 V2519 A2533	M2409-F2531 HydrophobicContact CB-CZ 4.34Å; M2409-F2531 HydrophobicContact CE-CE2 3.95Å; M2409-F2531 HydrophobicContact CE-CZ 3.67Å; M2409-F2531 HydrophobicContact CG-CZ 4.27Å; V2424-F2531 HydrophobicContact CG1-CE2 4.46Å; Q2425-F2531 WeakPolarHBondContact CA-O 3.31Å; F2426-F2531 HydrophobicContact CB-CD1 3.73Å; F2426-F2531 HydrophobicContact CB-CD2 4.32Å; F2426-F2531 HydrophobicContact CB-CE1 3.33Å; F2426-F2531 HydrophobicContact CB-CE2 3.96Å; F2426-F2531 HydrophobicContact CB-CG 4.21Å; F2426-F2531 HydrophobicContact CB-CZ 3.45Å; F2426-F2531 VanDerWaalsContact CB-CZ 3.45Å; F2426-F2531 AromaticContact CD1-CD1 3.94Å; F2426-F2531 HydrophobicContact CD1-CD1 3.99Å; F2426-F2531 AromaticContact CD1-CE1 3.84Å; F2426-F2531 HydrophobicContact CD1-CE1 3.84Å; F2426-F2531 HydrophobicContact CG-CD1 4.23Å; F2426-F2531 AromaticContact CG-CE1 3.75Å; F2426-F2531 HydrophobicContact CG-CE1 3.75Å; F2426-F2531 HydrophobicContact CG-CZ 4.24Å; F2426-F2531 PolarHBondContact N-O 2.97Å; F2426-F2531 PolarHBondContact O-N 3.06Å; W2453-F2531 AromaticContact CH2-CE2 3.86Å; W2453-F2531 HydrophobicContact CH2-CE2 3.86Å; W2453-F2531 HydrophobicContact CH2-CZ 4.34Å; W2453-F2531 HydrophobicContact CZ2-CD2 4.26Å; W2453-F2531 AromaticContact CZ2-CE2 3.65Å; W2453-F2531 HydrophobicContact CZ2-CE2 3.65Å; W2453-F2531 HydrophobicContact CZ2-CZ 4.24Å; F2455-F2531 HydrophobicContact CD1-CB 4.07Å; F2455-F2531 HydrophobicContact CD1-CD2 4.33Å; F2455-F2531 HydrophobicContact CD1-CG 4.38Å; F2455-F2531 HydrophobicContact CE1-CB 4.08Å; F2455-F2531 AromaticContact CE1-CD2 3.95Å; F2455-F2531 HydrophobicContact CE1-CD2 4.01Å; F2455-F2531 AromaticContact CE1-CG 3.97Å; F2455-F2531 HydrophobicContact CE1-CG 3.98Å; A2457-F2531 CarbonylContact O-C 3.5Å; A2457-F2531 WeakPolarHBondContact O-CA 3.36Å; A2457-F2531 VanDerWaalsContact O-CB 3.26Å; A2457-F2531 WeakPolarHBondContact O-CB 3.26Å; V2458-F2531 HydrophobicContact CB-CB 4.21Å; V2458-F2531 HydrophobicContact CG2-CB 4.11Å; I2470-F2531 HydrophobicContact CD1-CD1 3.52Å; I2470-F2531 VanDerWaalsContact CD1-CD1 3.47Å; I2470-F2531 HydrophobicContact CD1-CE1 3.57Å; I2470-F2531 VanDerWaalsContact CD1-CE1 3.5Å; I2470-F2531 HydrophobicContact CD1-CG 4.24Å; I2470-F2531 HydrophobicContact CD1-CZ 4.35Å; I2470-F2531 HydrophobicContact CG1-CD1 4.5Å; I2470-F2531 HydrophobicContact CG1-CE1 4.23Å; V2519-F2531 HydrophobicContact CG1-CE1 4.32Å; V2519-F2531 HydrophobicContact CG2-CE1 3.8Å; V2519-F2531 HydrophobicContact CG2-CZ 3.84Å; F2531-A2533 HydrophobicContact CD2-CB 4.07Å; F2531-A2533 HydrophobicContact CE2-CB 4.25Å
2532	I	91.6	Very high	81.4	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.8	164.2	-60	175.5	0	0	0	105.7	F2334 Y2395 P2396 F2397 F2406 V2424 Q2425 L2456 A2457	F2334-I2532 HydrophobicContact CD2-CG2 4.45Å; F2334-I2532 HydrophobicContact CE1-CD1 4.37Å; F2334-I2532 HydrophobicContact CE2-CD1 3.78Å; F2334-I2532 HydrophobicContact CE2-CG2 4.31Å; F2334-I2532 HydrophobicContact CZ-CD1 3.5Å; F2334-I2532 VanDerWaalsContact CZ-CD1 3.47Å; F2334-I2532 HydrophobicContact CZ-CG2 4.41Å; Y2395-I2532 HydrophobicContact CD2-CD1 4.38Å; Y2395-I2532 HydrophobicContact CD2-CG1 4.03Å; Y2395-I2532 HydrophobicContact CE2-CD1 3.94Å; Y2395-I2532 HydrophobicContact CE2-CG1 3.6Å; P2396-I2532 HydrophobicContact CG-CD1 3.68Å; F2397-I2532 HydrophobicContact CD2-CD1 4.03Å; F2397-I2532 HydrophobicContact CE2-CD1 3.62Å; F2406-I2532 HydrophobicContact CD1-CG2 4.45Å; F2406-I2532 HydrophobicContact CE1-CG2 4.06Å; V2424-I2532 WeakPolarHBondContact O-CA 3.28Å; Q2425-I2532 HydrophobicContact CB-CG1 4.47Å; L2456-I2532 HydrophobicContact CB-CG2 4.39Å; L2456-I2532 HydrophobicContact CD1-CG2 4.34Å; L2456-I2532 PolarHBondContact N-O 3.08Å; A2457-I2532 HydrophobicContact CB-CB 4.13Å; A2457-I2532 HydrophobicContact CB-CG1 4.38Å; A2457-I2532 PolarHBondContact N-O 2.93Å; A2457-I2532 PolarHBondContact O-N 3.12Å; A2457-I2532 VanDerWaalsContact O-O 3.11Å
2533	A	91.3	Very high	80	Confident	0 Å²	0	25 Å²	25	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	155.3	179.1	0	0	0	0	0	110.5	L2423 V2424 W2453 R2454 F2455 F2531	L2423-A2533 CarbonylContact C-O 3.52Å; L2423-A2533 WeakPolarHBondContact CA-O 3.2Å; V2424-A2533 PolarHBondContact N-O 3.08Å; V2424-A2533 PolarHBondContact O-N 2.98Å; V2424-A2533 VanDerWaalsContact O-O 3.13Å; W2453-A2533 HydrophobicContact CD2-CB 4.15Å; W2453-A2533 VanDerWaalsContact CE2-CB 3.45Å; W2453-A2533 HydrophobicContact CE3-CB 4.48Å; W2453-A2533 HydrophobicContact CH2-CB 3.74Å; W2453-A2533 HydrophobicContact CZ2-CB 3.24Å; W2453-A2533 HydrophobicContact CZ3-CB 4.35Å; R2454-A2533 CarbonylContact O-C 3.43Å; R2454-A2533 VanDerWaalsContact O-CA 3.22Å; R2454-A2533 WeakPolarHBondContact O-CA 3.34Å; R2454-A2533 VanDerWaalsContact O-CB 3.27Å; R2454-A2533 WeakPolarHBondContact O-CB 3.29Å; F2455-A2533 HydrophobicContact CD1-CB 4.23Å; F2455-A2533 HydrophobicContact CE1-CB 4.44Å; F2531-A2533 HydrophobicContact CD2-CB 4.07Å; F2531-A2533 HydrophobicContact CE2-CB 4.25Å
2534	E	88.2	Confident	78.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.6	170.2	83.2	-177.3	-159.8	0	0	109.8	S2336 D2337 R2421 V2422 L2423 W2453 R2454 L2456 I2536	S2336-E2534 WeakPolarHBondContact CA-OE2 3.4Å; S2336-E2534 WeakPolarHBondContact CB-OE1 3.39Å; S2336-E2534 WeakPolarHBondContact CB-OE2 3.49Å; S2336-E2534 PolarHBondContact OG-OE2 3.09Å; D2337-E2534 PolarHBondContact N-OE1 2.91Å; R2421-E2534 HydrophobicContact CG-CG 4.26Å; R2421-E2534 IonicContact CZ-OE1 3.79Å; R2421-E2534 IonicContact CZ-OE2 3.49Å; R2421-E2534 VanDerWaalsContact CZ-OE2 3.25Å; R2421-E2534 IonicContact NE-OE1 2.79Å; R2421-E2534 PolarHBondContact NE-OE1 3.25Å; R2421-E2534 IonicContact NE-OE2 2.82Å; R2421-E2534 PolarHBondContact NE-OE2 3.21Å; R2421-E2534 IonicContact NH2-OE1 3.24Å; R2421-E2534 PolarHBondContact NH2-OE1 3.24Å; R2421-E2534 IonicContact NH2-OE2 3.47Å; R2421-E2534 PolarHBondContact NH2-OE2 3Å; V2422-E2534 WeakPolarHBondContact O-CA 3.21Å; L2423-E2534 HydrophobicContact CD2-CB 3.6Å; L2423-E2534 HydrophobicContact CD2-CG 3.98Å; W2453-E2534 CarbonylContact C-O 3.56Å; W2453-E2534 WeakPolarHBondContact CA-O 3.37Å; R2454-E2534 HydrophobicContact CB-CB 4.43Å; R2454-E2534 HydrophobicContact CB-CG 3.82Å; R2454-E2534 VanDerWaalsContact CD-OE1 3.3Å; R2454-E2534 WeakPolarHBondContact CD-OE1 2.97Å; R2454-E2534 WeakPolarHBondContact CD-OE2 3.42Å; R2454-E2534 HydrophobicContact CG-CG 4.31Å; R2454-E2534 IonicContact CZ-OE1 2.65Å; R2454-E2534 PolarHBondContact N-O 3.16Å; R2454-E2534 IonicContact NE-OE1 2.74Å; R2454-E2534 IonicContact NH1-OE1 3.06Å; R2454-E2534 PolarHBondContact NH1-OE1 3.22Å; R2454-E2534 PolarHBondContact O-N 3.21Å; L2456-E2534 HydrophobicContact CD1-CB 3.92Å; L2456-E2534 HydrophobicContact CD1-CG 4.16Å; L2456-E2534 HydrophobicContact CG-CB 4.3Å; L2456-E2534 HydrophobicContact CG-CG 4.31Å; E2534-I2536 HydrophobicContact CG-CD1 4.02Å; E2534-I2536 HydrophobicContact CG-CG1 4.19Å; E2534-I2536 WeakPolarHBondContact OE1-CD1 3.4Å
2535	I	89.6	Confident	76.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.1	168.2	-153.1	162.8	0	0	0	109.5	V2418 R2421 V2422 V2424 F2442 L2451 A2452 W2453 F2515	V2418-I2535 HydrophobicContact CG1-CG2 4.37Å; V2418-I2535 HydrophobicContact CG2-CD1 4.36Å; V2418-I2535 HydrophobicContact CG2-CG2 3.99Å; R2421-I2535 CarbonylContact C-O 3.52Å; R2421-I2535 VanDerWaalsContact CA-O 3.31Å; R2421-I2535 WeakPolarHBondContact CA-O 3.41Å; V2422-I2535 HydrophobicContact CB-CG2 3.75Å; V2422-I2535 HydrophobicContact CG1-CG2 4.34Å; V2422-I2535 HydrophobicContact CG2-CB 3.8Å; V2422-I2535 HydrophobicContact CG2-CD1 4.44Å; V2422-I2535 HydrophobicContact CG2-CG1 4.45Å; V2422-I2535 PolarHBondContact N-O 3.07Å; V2422-I2535 PolarHBondContact O-N 3.13Å; V2424-I2535 HydrophobicContact CG2-CD1 3.83Å; V2424-I2535 HydrophobicContact CG2-CG1 4.23Å; V2424-I2535 HydrophobicContact CG2-CG2 4.33Å; F2442-I2535 HydrophobicContact CB-CD1 3.52Å; F2442-I2535 VanDerWaalsContact CB-CD1 3.48Å; F2442-I2535 HydrophobicContact CD1-CD1 3.85Å; F2442-I2535 HydrophobicContact CD1-CG2 3.97Å; F2442-I2535 HydrophobicContact CD2-CD1 3.63Å; F2442-I2535 HydrophobicContact CE1-CD1 3.48Å; F2442-I2535 VanDerWaalsContact CE1-CD1 3.48Å; F2442-I2535 HydrophobicContact CE1-CG2 4.16Å; F2442-I2535 HydrophobicContact CE2-CD1 3.94Å; F2442-I2535 VanDerWaalsContact CE2-CD1 3.41Å; F2442-I2535 HydrophobicContact CG-CD1 3.39Å; F2442-I2535 VanDerWaalsContact CG-CD1 3.43Å; F2442-I2535 HydrophobicContact CG-CG2 4.43Å; F2442-I2535 HydrophobicContact CZ-CD1 3.51Å; L2451-I2535 HydrophobicContact CB-CD1 4.31Å; L2451-I2535 HydrophobicContact CB-CG1 4.41Å; L2451-I2535 HydrophobicContact CB-CG2 4.37Å; L2451-I2535 HydrophobicContact CD1-CD1 4.26Å; L2451-I2535 HydrophobicContact CD2-CG1 4.5Å; L2451-I2535 HydrophobicContact CD2-CG2 4.27Å; A2452-I2535 CarbonylContact O-C 3.57Å; A2452-I2535 VanDerWaalsContact O-CA 3.28Å; A2452-I2535 WeakPolarHBondContact O-CA 3.29Å; W2453-I2535 HydrophobicContact CD2-CG1 4.4Å; W2453-I2535 HydrophobicContact CE3-CB 4.35Å; W2453-I2535 HydrophobicContact CE3-CD1 4.18Å; W2453-I2535 HydrophobicContact CE3-CG1 3.55Å; W2453-I2535 HydrophobicContact CZ3-CD1 3.72Å; W2453-I2535 HydrophobicContact CZ3-CG1 4.07Å; F2515-I2535 HydrophobicContact CB-CD1 4.4Å; F2515-I2535 HydrophobicContact CD1-CD1 3.95Å; F2515-I2535 HydrophobicContact CE1-CD1 4.38Å; F2515-I2535 HydrophobicContact CG-CD1 4.36Å
2536	I	85.3	Confident	75.7	Confident	8.25 Å²	8.25	40.8 Å²	40.8	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.4	-172	-57.2	171.7	0	0	0	110	S2336 D2337 D2420 R2421 L2451 A2452 E2534 L2538 L2540	S2336-I2536 VanDerWaalsContact OG-CD1 3.27Å; S2336-I2536 WeakPolarHBondContact OG-CD1 3.38Å; D2337-I2536 WeakPolarHBondContact O-CD1 3.31Å; D2420-I2536 CarbonylContact O-C 3.53Å; D2420-I2536 VanDerWaalsContact O-CA 3.23Å; D2420-I2536 WeakPolarHBondContact O-CA 3.4Å; D2420-I2536 WeakPolarHBondContact O-CG2 3.35Å; R2421-I2536 HydrophobicContact CB-CG1 4.34Å; R2421-I2536 HydrophobicContact CG-CG1 4.07Å; L2451-I2536 CarbonylContact C-O 3.35Å; L2451-I2536 WeakPolarHBondContact CA-O 3.21Å; A2452-I2536 PolarHBondContact N-O 3.2Å; A2452-I2536 PolarHBondContact O-N 2.98Å; E2534-I2536 HydrophobicContact CG-CD1 4.02Å; E2534-I2536 HydrophobicContact CG-CG1 4.19Å; E2534-I2536 WeakPolarHBondContact OE1-CD1 3.4Å; I2536-L2538 HydrophobicContact CG2-CD2 4.37Å; I2536-L2540 HydrophobicContact CG2-CD2 3.6Å; I2536-L2540 HydrophobicContact CG2-CG 4.22Å
2537	S	85.3	Confident	74.2	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.5	167.3	86.3	0	0	0	0	111.1	L2419 D2420 R2449 R2450 P2539 L2540	L2419-S2537 WeakPolarHBondContact O-CB 3.37Å; L2419-S2537 PolarHBondContact O-OG 3.08Å; D2420-S2537 PolarHBondContact O-N 2.89Å; R2449-S2537 PolarHBondContact NH1-OG 2.98Å; R2449-S2537 VanDerWaalsContact NH1-OG 3.13Å; R2450-S2537 WeakPolarHBondContact O-CA 3.4Å; S2537-P2539 CarbonylContact O-C 3.54Å; S2537-P2539 VanDerWaalsContact O-C 3.3Å; S2537-L2540 PolarHBondContact O-N 3.07Å
2538	L	80.7	Confident	72.8	Confident	12.5 Å²	12.5	46.9 Å²	46.9	7%	0.065	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.1	179.3	-65.6	179.9	0	0	0	111.3	S2338 P2341 R2449 R2450 A2452 I2507 I2536	S2338-L2538 WeakPolarHBondContact O-CD2 3.5Å; P2341-L2538 HydrophobicContact CG-CD1 4.09Å; R2449-L2538 WeakPolarHBondContact CB-O 3.5Å; R2450-L2538 HydrophobicContact CB-CB 4.4Å; R2450-L2538 PolarHBondContact N-O 3.1Å; R2450-L2538 PolarHBondContact O-N 3.16Å; A2452-L2538 HydrophobicContact CB-CD1 3.76Å; A2452-L2538 HydrophobicContact CB-CG 4.16Å; I2507-L2538 HydrophobicContact CD1-CD1 4.03Å; I2507-L2538 HydrophobicContact CG2-CD1 4.07Å; I2536-L2538 HydrophobicContact CG2-CD2 4.37Å
2539	P	77.7	Confident	71.1	Confident	93.25 Å²	93.25	49.5 Å²	49.5	61%	0.606	28%	0.275	S	S	*	.	S	Bend	cis	-71.8	158.1	-11.4	32.4	-35.5	0	0	0	111.7	R2449 S2537	R2449-P2539 WeakPolarHBondContact CD-O 3.44Å; R2449-P2539 PolarHBondContact NE-O 2.98Å; R2449-P2539 PolarHBondContact NH1-O 3.23Å; S2537-P2539 CarbonylContact O-C 3.54Å; S2537-P2539 VanDerWaalsContact O-C 3.3Å
2540	L	71.6	Confident	69.5	Low	44.25 Å²	44.25	48.7 Å²	48.7	23%	0.232	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-61.2	150.4	174.4	-74.5	173.1	0	0	0	112.2	S2338 D2420 I2536 S2537 A2542	S2338-L2540 VanDerWaalsContact CB-CD1 3.47Å; D2420-L2540 HydrophobicContact CB-CD2 4.03Å; D2420-L2540 WeakPolarHBondContact O-CD2 3.42Å; I2536-L2540 HydrophobicContact CG2-CD2 3.6Å; I2536-L2540 HydrophobicContact CG2-CG 4.22Å; S2537-L2540 PolarHBondContact O-N 3.07Å; L2540-A2542 PolarHBondContact O-N 2.91Å
2541	S	70	Confident	68	Low	25 Å²	25	52.9 Å²	52.9	18%	0.175	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-65.9	126.8	178.8	-57	0	0	0	0	112.7	D2420 R2449 G2543 R2544	D2420-S2541 WeakPolarHBondContact OD1-CB 3.44Å; D2420-S2541 PolarHBondContact OD1-N 3.14Å; D2420-S2541 VanDerWaalsContact OD1-N 3.12Å; D2420-S2541 PolarHBondContact OD1-OG 3.12Å; R2449-S2541 PolarHBondContact NH1-OG 2.98Å; R2449-S2541 PolarHBondContact NH2-OG 3.23Å; S2541-G2543 PolarHBondContact O-N 3.04Å; S2541-R2544 PolarHBondContact O-N 3.06Å
2542	A	57.4	Low	66.7	Low	107 Å²	107	60.1 Å²	60.1	88%	0.884	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	113.6	177.2	0	0	0	0	0	112.5	L2540	L2540-A2542 PolarHBondContact O-N 2.91Å
2543	G	52.8	Low	66.1	Low	71.75 Å²	71.75	61.1 Å²	61.1	74%	0.74	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.5	-16.8	178.2	0	0	0	0	0	115.4	S2541 K2545	S2541-G2543 PolarHBondContact O-N 3.04Å; G2543-K2545 VanDerWaalsContact C-N 3.29Å; G2543-K2545 PolarHBondContact O-N 2.94Å; G2543-K2545 VanDerWaalsContact O-N 3.13Å
2544	R	49.3	Very low	66	Low	114.75 Å²	114.75	65 Å²	65	43%	0.433	34%	0.343	S	S	.	.			trans	-93.8	59	175.6	-74.1	-175.1	172.4	179.1	-4	112.9	E2244 D2420 S2541 Q2546 Q2547	E2244-R2544 IonicContact OE1-CZ 3.22Å; E2244-R2544 IonicContact OE1-NH1 3.58Å; E2244-R2544 PolarHBondContact OE1-NH1 3.07Å; E2244-R2544 IonicContact OE1-NH2 3.2Å; E2244-R2544 PolarHBondContact OE1-NH2 3.07Å; E2244-R2544 IonicContact OE2-NH1 2.58Å; D2420-R2544 WeakPolarHBondContact OD2-CD 3.36Å; D2420-R2544 IonicContact OD2-CZ 3.76Å; D2420-R2544 IonicContact OD2-NE 2.98Å; D2420-R2544 IonicContact OD2-NH1 3.33Å; D2420-R2544 PolarHBondContact OD2-NH1 3.19Å; S2541-R2544 PolarHBondContact O-N 3.06Å; R2544-Q2546 PolarHBondContact O-N 3.3Å; R2544-Q2547 PolarHBondContact O-N 3.04Å
2545	K	46	Very low	66.2	Low	133 Å²	133	65.2 Å²	65.2	58%	0.578	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	7.3	169.8	-68.1	-172.6	167	-145.9	0	114.9	G2543 Q2547 E2548 M2549	G2543-K2545 VanDerWaalsContact C-N 3.29Å; G2543-K2545 PolarHBondContact O-N 2.94Å; G2543-K2545 VanDerWaalsContact O-N 3.13Å; K2545-Q2547 PolarHBondContact O-N 3.22Å; K2545-Q2547 VanDerWaalsContact O-N 3.13Å; K2545-E2548 HydrophobicContact CB-CB 4.41Å; K2545-E2548 VanDerWaalsContact CD-OE2 3.23Å; K2545-E2548 WeakPolarHBondContact CD-OE2 3.41Å; K2545-E2548 WeakPolarHBondContact CE-OE2 3.41Å; K2545-E2548 WeakPolarHBondContact CG-OE2 3.42Å; K2545-E2548 IonicContact NZ-OE1 3.79Å; K2545-E2548 PolarHBondContact NZ-OE1 2.81Å; K2545-E2548 IonicContact NZ-OE2 3.28Å; K2545-E2548 PolarHBondContact NZ-OE2 2.97Å; K2545-E2548 VanDerWaalsContact NZ-OE2 3.09Å; K2545-E2548 WeakPolarHBondContact O-CB 3.21Å; K2545-E2548 PolarHBondContact O-N 2.96Å; K2545-E2548 VanDerWaalsContact O-N 3.07Å; K2545-M2549 WeakPolarHBondContact O-CG 3.28Å; K2545-M2549 PolarHBondContact O-N 2.84Å; K2545-M2549 VanDerWaalsContact O-N 3.1Å
2546	Q	47.1	Very low	66.4	Low	92.75 Å²	92.75	66.8 Å²	66.8	43%	0.433	35%	0.351	S	S	.	.	H	α-helix	trans	-58.3	-29	176.5	-134.8	168	-33.7	0	0	111.6	R2544 M2549 N2550	R2544-Q2546 PolarHBondContact O-N 3.3Å; Q2546-M2549 WeakPolarHBondContact O-CB 3.28Å; Q2546-M2549 PolarHBondContact O-N 3.17Å; Q2546-N2550 PolarHBondContact O-N 2.86Å; Q2546-N2550 PolarHBondContact O-OD1 3Å; Q2546-N2550 VanDerWaalsContact O-OD1 3.09Å
2547	Q	47	Very low	66.9	Low	46 Å²	46	66.6 Å²	66.6	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-75.8	-33.7	173.7	-66.6	179.2	-17.9	0	0	113.6	S2336 R2544 K2545 M2549 N2550	S2336-Q2547 PolarHBondContact OG-NE2 3.15Å; S2336-Q2547 VanDerWaalsContact OG-NE2 3.17Å; R2544-Q2547 PolarHBondContact O-N 3.04Å; K2545-Q2547 PolarHBondContact O-N 3.22Å; K2545-Q2547 VanDerWaalsContact O-N 3.13Å; Q2547-M2549 VanDerWaalsContact C-N 3.31Å; Q2547-M2549 PolarHBondContact O-N 2.97Å; Q2547-N2550 WeakPolarHBondContact O-CB 3.32Å; Q2547-N2550 PolarHBondContact O-N 3.03Å
2548	E	46	Very low	67.3	Low	115.25 Å²	115.25	68 Å²	68	54%	0.539	36%	0.358	S	S	.	.	H	α-helix	trans	-67.7	-32.5	169.8	-68.2	-172.5	149.8	0	0	111.4	K2545 N2550 R2551	K2545-E2548 HydrophobicContact CB-CB 4.41Å; K2545-E2548 VanDerWaalsContact CD-OE2 3.23Å; K2545-E2548 WeakPolarHBondContact CD-OE2 3.41Å; K2545-E2548 WeakPolarHBondContact CE-OE2 3.41Å; K2545-E2548 WeakPolarHBondContact CG-OE2 3.42Å; K2545-E2548 IonicContact NZ-OE1 3.79Å; K2545-E2548 PolarHBondContact NZ-OE1 2.81Å; K2545-E2548 IonicContact NZ-OE2 3.28Å; K2545-E2548 PolarHBondContact NZ-OE2 2.97Å; K2545-E2548 VanDerWaalsContact NZ-OE2 3.09Å; K2545-E2548 WeakPolarHBondContact O-CB 3.21Å; K2545-E2548 PolarHBondContact O-N 2.96Å; K2545-E2548 VanDerWaalsContact O-N 3.07Å; E2548-N2550 VanDerWaalsContact C-N 3.31Å; E2548-N2550 PolarHBondContact O-N 3Å; E2548-R2551 VanDerWaalsContact O-CB 3.24Å; E2548-R2551 WeakPolarHBondContact O-CB 3.46Å; E2548-R2551 PolarHBondContact O-N 2.89Å
2549	M	47.5	Very low	68	Low	133.75 Å²	133.75	69.7 Å²	69.7	66%	0.659	37%	0.369	S	S	*	.	H	α-helix	trans	-66.6	-27.6	175.1	-67.1	-156.6	127.9	0	0	112.8	K2545 Q2546 Q2547 R2551 F2552	K2545-M2549 WeakPolarHBondContact O-CG 3.28Å; K2545-M2549 PolarHBondContact O-N 2.84Å; K2545-M2549 VanDerWaalsContact O-N 3.1Å; Q2546-M2549 WeakPolarHBondContact O-CB 3.28Å; Q2546-M2549 PolarHBondContact O-N 3.17Å; Q2547-M2549 VanDerWaalsContact C-N 3.31Å; Q2547-M2549 PolarHBondContact O-N 2.97Å; M2549-R2551 PolarHBondContact O-N 3.07Å; M2549-R2551 VanDerWaalsContact O-N 3.15Å; M2549-F2552 PolarHBondContact O-N 3.02Å; M2549-F2552 VanDerWaalsContact O-N 3.13Å
2550	N	54.3	Low	68.9	Low	25.75 Å²	25.75	65.3 Å²	65.3	14%	0.138	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-61.2	-25.2	175.8	-75.2	12.8	0	0	0	112.9	N2335 Q2546 Q2547 E2548 F2552 L2553	N2335-N2550 PolarHBondContact OD1-ND2 2.96Å; Q2546-N2550 PolarHBondContact O-N 2.86Å; Q2546-N2550 PolarHBondContact O-OD1 3Å; Q2546-N2550 VanDerWaalsContact O-OD1 3.09Å; Q2547-N2550 WeakPolarHBondContact O-CB 3.32Å; Q2547-N2550 PolarHBondContact O-N 3.03Å; E2548-N2550 VanDerWaalsContact C-N 3.31Å; E2548-N2550 PolarHBondContact O-N 3Å; N2550-F2552 PolarHBondContact O-N 3.03Å; N2550-F2552 VanDerWaalsContact O-N 3.11Å; N2550-L2553 HydrophobicContact CB-CD1 4.05Å; N2550-L2553 HydrophobicContact CB-CG 4.49Å; N2550-L2553 PolarHBondContact O-N 3.12Å; N2550-L2553 VanDerWaalsContact O-N 3.15Å; N2550-L2553 VanDerWaalsContact OD1-CD1 3.28Å; N2550-L2553 WeakPolarHBondContact OD1-CD1 3.37Å
2551	R	56.7	Low	70	Confident	87.25 Å²	87.25	65.1 Å²	65.1	33%	0.329	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-64.6	-12.2	177	-141.9	177.8	-175.9	176.4	4	114.3	D2337 E2548 M2549 F2578 R2613	D2337-R2551 IonicContact OD2-NH2 2.84Å; D2337-R2551 PolarHBondContact OD2-NH2 3.24Å; D2337-R2551 VanDerWaalsContact OD2-NH2 3.13Å; E2548-R2551 VanDerWaalsContact O-CB 3.24Å; E2548-R2551 WeakPolarHBondContact O-CB 3.46Å; E2548-R2551 PolarHBondContact O-N 2.89Å; M2549-R2551 PolarHBondContact O-N 3.07Å; M2549-R2551 VanDerWaalsContact O-N 3.15Å; R2551-F2578 HydrophobicContact CB-CD1 4.47Å; R2551-F2578 HydrophobicContact CG-CB 4.31Å; R2551-F2578 HydrophobicContact CG-CD1 3.95Å; R2551-F2578 HydrophobicContact CG-CD2 3.82Å; R2551-F2578 HydrophobicContact CG-CE1 4.3Å; R2551-F2578 HydrophobicContact CG-CE2 4.19Å; R2551-F2578 HydrophobicContact CG-CG 4.01Å; R2551-F2578 HydrophobicContact CG-CZ 4.46Å; R2551-F2578 VanDerWaalsContact CZ-CZ 3.49Å; R2551-F2578 VanDerWaalsContact NE-CE1 3.27Å; R2551-R2613 VanDerWaalsContact CZ-NH2 3.25Å; R2551-R2613 VanDerWaalsContact NH2-NH2 3.18Å; R2551-R2613 PolarHBondContact O-NH1 3.31Å
2552	F	64.9	Low	71.3	Confident	152.5 Å²	152.5	64 Å²	64	67%	0.669	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-123.2	15.6	178.6	-56.6	-76.6	0	0	0	112.6	M2549 N2550 K2554	M2549-F2552 PolarHBondContact O-N 3.02Å; M2549-F2552 VanDerWaalsContact O-N 3.13Å; N2550-F2552 PolarHBondContact O-N 3.03Å; N2550-F2552 VanDerWaalsContact O-N 3.11Å; F2552-K2554 PolarHBondContact O-N 2.98Å; F2552-K2554 VanDerWaalsContact O-N 3.15Å
2553	L	79.3	Confident	73.1	Confident	20.5 Å²	20.5	60.6 Å²	60.6	11%	0.107	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-72.6	119	176.7	-74.9	178	0	0	0	110.6	G2312 P2313 N2550 P2580 D2581	G2312-L2553 VanDerWaalsContact C-CD2 3.47Å; P2313-L2553 HydrophobicContact CB-CD2 4.33Å; N2550-L2553 HydrophobicContact CB-CD1 4.05Å; N2550-L2553 HydrophobicContact CB-CG 4.49Å; N2550-L2553 PolarHBondContact O-N 3.12Å; N2550-L2553 VanDerWaalsContact O-N 3.15Å; N2550-L2553 VanDerWaalsContact OD1-CD1 3.28Å; N2550-L2553 WeakPolarHBondContact OD1-CD1 3.37Å; L2553-P2580 HydrophobicContact CB-CB 4.34Å; L2553-P2580 WeakPolarHBondContact O-CA 3.15Å; L2553-P2580 WeakPolarHBondContact O-CB 3.25Å; L2553-D2581 PolarHBondContact O-N 3.16Å
2554	K	88.5	Confident	75	Confident	81.25 Å²	81.25	61.8 Å²	61.8	35%	0.353	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.7	170.5	-173.6	-176.5	177.8	-163.1	0	109.2	P2313 F2552 E2556 D2581 Y2583	P2313-K2554 VanDerWaalsContact CB-O 3.3Å; P2313-K2554 WeakPolarHBondContact CB-O 3.39Å; F2552-K2554 PolarHBondContact O-N 2.98Å; F2552-K2554 VanDerWaalsContact O-N 3.15Å; K2554-E2556 WeakPolarHBondContact CE-OE2 3.35Å; K2554-E2556 IonicContact NZ-OE2 2.97Å; K2554-E2556 PolarHBondContact NZ-OE2 3.3Å; K2554-D2581 WeakPolarHBondContact CA-O 3.3Å; K2554-Y2583 HydrophobicContact CD-CD2 3.85Å; K2554-Y2583 HydrophobicContact CD-CE2 3.86Å; K2554-Y2583 HydrophobicContact CD-CG 4.44Å; K2554-Y2583 VanDerWaalsContact CE-CG 3.48Å; K2554-Y2583 HydrophobicContact CG-CD2 3.49Å; K2554-Y2583 VanDerWaalsContact CG-CD2 3.44Å; K2554-Y2583 HydrophobicContact CG-CE2 3.68Å; K2554-Y2583 HydrophobicContact CG-CG 4.42Å
2555	H	93.3	Very high	77.2	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.019	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.7	166.4	-58.2	-57.4	0	0	0	109	V2314 L2331 I2333 P2580 D2581 Y2583	V2314-H2555 HydrophobicContact CB-CB 4.33Å; V2314-H2555 WeakPolarHBondContact CB-ND1 3.28Å; V2314-H2555 WeakPolarHBondContact CG2-ND1 3.42Å; V2314-H2555 PolarHBondContact N-ND1 3.09Å; V2314-H2555 VanDerWaalsContact N-ND1 3.17Å; V2314-H2555 CarbonylContact O-C 3.57Å; V2314-H2555 WeakPolarHBondContact O-CA 3.29Å; L2331-H2555 HydrophobicContact CD2-CB 4.34Å; I2333-H2555 WeakPolarHBondContact CD1-NE2 3.22Å; H2555-P2580 WeakPolarHBondContact CD2-CB 3.17Å; H2555-P2580 VanDerWaalsContact CD2-CG 3.46Å; H2555-P2580 WeakPolarHBondContact CD2-CG 3.34Å; H2555-P2580 WeakPolarHBondContact NE2-CB 3.28Å; H2555-D2581 PolarHBondContact N-O 3.1Å; H2555-Y2583 PolarHBondContact O-N 2.84Å
2556	E	94	Very high	79.3	Confident	34.5 Å²	34.5	52.6 Å²	52.6	16%	0.161	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.3	-174.8	-173.1	175.4	115.4	0	0	109.3	V2314 K2315 L2316 K2554 Y2583	V2314-E2556 PolarHBondContact O-N 3.23Å; K2315-E2556 WeakPolarHBondContact CA-O 3.29Å; K2315-E2556 WeakPolarHBondContact CE-OE1 3.35Å; K2315-E2556 IonicContact NZ-OE1 3.63Å; K2315-E2556 PolarHBondContact NZ-OE1 3.18Å; L2316-E2556 PolarHBondContact N-O 3.31Å; K2554-E2556 WeakPolarHBondContact CE-OE2 3.35Å; K2554-E2556 IonicContact NZ-OE2 2.97Å; K2554-E2556 PolarHBondContact NZ-OE2 3.3Å; E2556-Y2583 WeakPolarHBondContact CA-O 3.25Å
2557	I	95.6	Very high	81.3	Confident	3.75 Å²	3.75	50.2 Å²	50.2	2%	0.019	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	109.9	172.4	-57.4	161.1	0	0	0	106.1	L2316 L2329 C2560 L2570 I2572 Y2583 L2584 S2585 L2587	L2316-I2557 HydrophobicContact CB-CG1 4.36Å; L2316-I2557 HydrophobicContact CB-CG2 4.45Å; L2316-I2557 HydrophobicContact CD2-CG2 4.22Å; L2329-I2557 HydrophobicContact CD2-CD1 3.55Å; L2329-I2557 HydrophobicContact CD2-CG1 4.16Å; L2329-I2557 HydrophobicContact CD2-CG2 4.33Å; I2557-C2560 HydrophobicContact CG2-CB 4.1Å; I2557-L2570 HydrophobicContact CD1-CD1 3.95Å; I2557-L2570 HydrophobicContact CD1-CD2 4.37Å; I2557-I2572 HydrophobicContact CD1-CD1 4.28Å; I2557-Y2583 PolarHBondContact N-O 3.03Å; I2557-L2584 HydrophobicContact CB-CD2 3.89Å; I2557-L2584 HydrophobicContact CD1-CD2 3.69Å; I2557-L2584 HydrophobicContact CG1-CD2 4.22Å; I2557-L2584 WeakPolarHBondContact O-CA 3.39Å; I2557-S2585 PolarHBondContact O-N 3.35Å; I2557-S2585 VanDerWaalsContact O-N 3.08Å; I2557-L2587 HydrophobicContact CG2-CD2 3.88Å
2558	D	94.1	Very high	83.3	Confident	30 Å²	30	48 Å²	48	16%	0.16	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.4	-173.8	-177.7	61	0	0	0	111.6	L2316 T2317 N2318 C2560 S2585 N2586	L2316-D2558 PolarHBondContact O-N 3.22Å; T2317-D2558 VanDerWaalsContact CA-O 3.32Å; T2317-D2558 WeakPolarHBondContact CA-O 3.38Å; T2317-D2558 HydrophobicContact CG2-CB 4.38Å; N2318-D2558 PolarHBondContact N-O 3.11Å; D2558-C2560 VanDerWaalsContact C-N 3.26Å; D2558-C2560 PolarHBondContact O-N 2.87Å; D2558-C2560 PolarHBondContact O-SG 3.09Å; D2558-S2585 VanDerWaalsContact CA-O 3.31Å; D2558-S2585 WeakPolarHBondContact CA-O 3.37Å; D2558-S2585 VanDerWaalsContact CG-OG 3.31Å; D2558-S2585 WeakPolarHBondContact OD1-CB 3.31Å; D2558-S2585 VanDerWaalsContact OD1-O 3.14Å; D2558-S2585 PolarHBondContact OD1-OG 3.03Å; D2558-N2586 PolarHBondContact OD1-ND2 2.91Å
2559	T	94.4	Very high	85.6	Confident	47.75 Å²	47.75	42.6 Å²	42.6	29%	0.293	20%	0.199	S	C	.	.	S	Bend	trans	54	42.3	173.3	-30.4	0	0	0	0	112.4	N2318 S2585 N2586	N2318-T2559 VanDerWaalsContact CA-O 3.24Å; N2318-T2559 WeakPolarHBondContact CA-O 3.33Å; N2318-T2559 PolarHBondContact N-O 3.17Å; N2318-T2559 PolarHBondContact N-OG1 3.26Å; N2318-T2559 VanDerWaalsContact N-OG1 3.1Å; N2318-T2559 VanDerWaalsContact OD1-CB 3.26Å; N2318-T2559 WeakPolarHBondContact OD1-CB 3.42Å; N2318-T2559 VanDerWaalsContact OD1-CG2 3.25Å; N2318-T2559 WeakPolarHBondContact OD1-CG2 3.45Å; N2318-T2559 PolarHBondContact OD1-OG1 2.8Å; T2559-S2585 PolarHBondContact N-O 2.68Å; T2559-S2585 VanDerWaalsContact N-O 3.09Å; T2559-N2586 WeakPolarHBondContact CA-O 3.38Å; T2559-N2586 HydrophobicContact CG2-CB 3.91Å
2560	C	96.7	Very high	87.8	Confident	0.75 Å²	0.75	36.2 Å²	36.2	1%	0.005	17%	0.168	C	C	.	.			trans	-109.8	145.1	-179.9	-67.7	0	0	0	0	111.7	C2319 I2557 D2558 F2562 L2587 R2588	C2319-C2560 CarbonylContact O-C 3.52Å; C2319-C2560 VanDerWaalsContact O-CA 3.24Å; C2319-C2560 WeakPolarHBondContact O-CA 3.26Å; I2557-C2560 HydrophobicContact CG2-CB 4.1Å; D2558-C2560 VanDerWaalsContact C-N 3.26Å; D2558-C2560 PolarHBondContact O-N 2.87Å; D2558-C2560 PolarHBondContact O-SG 3.09Å; C2560-F2562 HydrophobicContact CB-CE2 4.1Å; C2560-F2562 HydrophobicContact CB-CZ 4.28Å; C2560-L2587 HydrophobicContact CB-CD2 3.99Å; C2560-L2587 WeakPolarHBondContact O-CA 3.4Å; C2560-R2588 PolarHBondContact O-N 3Å
2561	E	96.3	Very high	89.8	Confident	40.75 Å²	40.75	37 Å²	37	19%	0.19	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.8	-177.3	-45.2	-169.3	175.9	0	0	112.2	C2319 T2320 I2321 H2563 R2588 K2996	C2319-E2561 PolarHBondContact O-N 2.93Å; T2320-E2561 CarbonylContact C-O 3.57Å; T2320-E2561 WeakPolarHBondContact CA-O 3.36Å; T2320-E2561 HydrophobicContact CG2-CB 4.13Å; T2320-E2561 HydrophobicContact CG2-CG 4.2Å; I2321-E2561 PolarHBondContact N-O 2.87Å; E2561-H2563 WeakPolarHBondContact CB-NE2 3.38Å; E2561-H2563 IonicContact OE2-CD2 3.07Å; E2561-H2563 IonicContact OE2-CE1 2.81Å; E2561-H2563 IonicContact OE2-NE2 3.39Å; E2561-H2563 PolarHBondContact OE2-NE2 3.12Å; E2561-R2588 CarbonylContact C-O 3.54Å; E2561-R2588 VanDerWaalsContact CA-O 3.29Å; E2561-R2588 WeakPolarHBondContact CA-O 3.27Å; E2561-R2588 HydrophobicContact CB-CB 4.22Å; E2561-R2588 HydrophobicContact CG-CB 4.07Å; E2561-R2588 HydrophobicContact CG-CG 4.47Å; E2561-R2588 WeakPolarHBondContact OE1-CD 3.47Å; E2561-R2588 IonicContact OE1-NH1 3.09Å; E2561-K2996 WeakPolarHBondContact OE1-CD 3.31Å; E2561-K2996 WeakPolarHBondContact OE1-CE 3.11Å; E2561-K2996 IonicContact OE1-NZ 3.17Å; E2561-K2996 PolarHBondContact OE1-NZ 3.43Å; E2561-K2996 IonicContact OE2-NZ 3.14Å; E2561-K2996 PolarHBondContact OE2-NZ 3.35Å
2562	F	96.8	Very high	91.6	Very high	1.75 Å²	1.75	32.9 Å²	32.9	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	114.9	-178.9	-56.9	-81.4	0	0	0	109.4	I2321 L2329 C2560 R2588 L2589 E2590 N2592	I2321-F2562 HydrophobicContact CB-CD1 4.08Å; I2321-F2562 HydrophobicContact CB-CE1 4.37Å; I2321-F2562 HydrophobicContact CD1-CD1 4.48Å; I2321-F2562 HydrophobicContact CD1-CE1 4.07Å; I2321-F2562 HydrophobicContact CG1-CE1 4.42Å; I2321-F2562 WeakPolarHBondContact O-CA 3.33Å; L2329-F2562 HydrophobicContact CB-CE1 3.67Å; L2329-F2562 HydrophobicContact CB-CZ 3.91Å; L2329-F2562 HydrophobicContact CD2-CZ 4.23Å; C2560-F2562 HydrophobicContact CB-CE2 4.1Å; C2560-F2562 HydrophobicContact CB-CZ 4.28Å; F2562-R2588 PolarHBondContact N-O 3.06Å; F2562-L2589 HydrophobicContact CB-CG 4.26Å; F2562-L2589 HydrophobicContact CD2-CD1 4.26Å; F2562-L2589 HydrophobicContact CD2-CG 4.03Å; F2562-L2589 WeakPolarHBondContact O-CA 3.33Å; F2562-E2590 PolarHBondContact O-N 3.31Å; F2562-N2592 PolarHBondContact O-ND2 3.12Å
2563	H	94.4	Very high	93	Very high	35.25 Å²	35.25	25.7 Å²	25.7	16%	0.163	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132	-171.9	-63	-69.6	0	0	0	112.3	I2321 S2322 K2323 E2561 N2565 E2590	I2321-H2563 PolarHBondContact O-N 3.15Å; I2321-H2563 VanDerWaalsContact O-N 3.08Å; S2322-H2563 CarbonylContact C-O 3.49Å; S2322-H2563 WeakPolarHBondContact CA-O 3.39Å; S2322-H2563 VanDerWaalsContact CB-O 3.29Å; S2322-H2563 WeakPolarHBondContact CB-O 3.38Å; K2323-H2563 PolarHBondContact N-O 3.22Å; E2561-H2563 WeakPolarHBondContact CB-NE2 3.38Å; E2561-H2563 IonicContact OE2-CD2 3.07Å; E2561-H2563 IonicContact OE2-CE1 2.81Å; E2561-H2563 IonicContact OE2-NE2 3.39Å; E2561-H2563 PolarHBondContact OE2-NE2 3.12Å; H2563-N2565 VanDerWaalsContact C-N 3.28Å; H2563-N2565 PolarHBondContact N-ND2 3.03Å; H2563-N2565 PolarHBondContact O-N 2.88Å; H2563-N2565 PolarHBondContact O-ND2 3.21Å; H2563-E2590 WeakPolarHBondContact CA-O 3.26Å; H2563-E2590 IonicContact CE1-OE1 3.09Å; H2563-E2590 IonicContact CE1-OE2 3.49Å
2564	H	93.9	Very high	93.5	Very high	95.5 Å²	95.5	24.7 Å²	24.7	44%	0.442	12%	0.117	S	C	.	.	S	Bend	trans	57.6	30	171.7	-59.4	60.2	0	0	0	115.2	K2323 E2590 E2591 N2592	K2323-H2564 WeakPolarHBondContact CA-O 3.42Å; K2323-H2564 HydrophobicContact CG-CB 4.22Å; H2564-E2590 PolarHBondContact N-O 2.93Å; H2564-E2590 VanDerWaalsContact N-O 3.16Å; H2564-E2591 WeakPolarHBondContact CA-O 3.3Å; H2564-E2591 IonicContact CD2-OE2 3.13Å; H2564-E2591 IonicContact CE1-OE2 3.35Å; H2564-E2591 PolarHBondContact CE1-OE2 3.01Å; H2564-E2591 VanDerWaalsContact CE1-OE2 3.32Å; H2564-E2591 IonicContact ND1-OE2 3.35Å; H2564-E2591 IonicContact NE2-OE2 2.72Å; H2564-E2591 PolarHBondContact NE2-OE2 3.14Å; H2564-E2591 VanDerWaalsContact NE2-OE2 3.13Å; H2564-N2592 PolarHBondContact N-OD1 2.98Å
2565	N	93.6	Very high	93.4	Very high	1.25 Å²	1.25	21.1 Å²	21.1	1%	0.007	10%	0.102	C	C	.	.			trans	-89.1	132.7	178	-57.3	-60.1	0	0	0	110.8	I2321 K2323 C2324 H2563 G2568 N2592 G2593	I2321-N2565 PolarHBondContact O-ND2 3.04Å; I2321-N2565 VanDerWaalsContact O-ND2 3.14Å; K2323-N2565 PolarHBondContact N-OD1 3.17Å; C2324-N2565 VanDerWaalsContact CB-OD1 3.28Å; C2324-N2565 WeakPolarHBondContact CB-OD1 3.4Å; C2324-N2565 PolarHBondContact N-OD1 3.12Å; C2324-N2565 VanDerWaalsContact N-OD1 3.09Å; C2324-N2565 WeakPolarHBondContact O-CA 3.2Å; C2324-N2565 PolarHBondContact SG-OD1 3Å; H2563-N2565 VanDerWaalsContact C-N 3.28Å; H2563-N2565 PolarHBondContact N-ND2 3.03Å; H2563-N2565 PolarHBondContact O-N 2.88Å; H2563-N2565 PolarHBondContact O-ND2 3.21Å; N2565-G2568 VanDerWaalsContact CB-O 3.31Å; N2565-G2568 WeakPolarHBondContact CB-O 3.33Å; N2565-N2592 WeakPolarHBondContact CB-OD1 3.43Å; N2565-N2592 PolarHBondContact N-OD1 3.09Å; N2565-N2592 PolarHBondContact ND2-OD1 3.26Å; N2565-N2592 VanDerWaalsContact ND2-OD1 3.14Å; N2565-N2592 CarbonylContact O-C 3.58Å; N2565-N2592 WeakPolarHBondContact O-CA 3.44Å; N2565-G2593 PolarHBondContact O-N 3.11Å
2566	Q	90.7	Very high	92.7	Very high	54.5 Å²	54.5	21 Å²	21	26%	0.255	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-38.4	-168.9	-64.7	-174	-5.5	0	0	114.1	C2324 L2325 G2326 G2568 G2593 L2594 P2602	C2324-Q2566 PolarHBondContact O-N 2.77Å; L2325-Q2566 VanDerWaalsContact CD2-CD 3.4Å; L2325-Q2566 HydrophobicContact CD2-CG 4.42Å; L2325-Q2566 VanDerWaalsContact CD2-NE2 3.31Å; L2325-Q2566 VanDerWaalsContact CD2-OE1 3.3Å; L2325-Q2566 WeakPolarHBondContact O-CB 3.36Å; G2326-Q2566 PolarHBondContact O-N 2.91Å; Q2566-G2568 VanDerWaalsContact C-N 3.3Å; Q2566-G2568 PolarHBondContact O-N 3.48Å; Q2566-G2593 CarbonylContact O-C 3.51Å; Q2566-G2593 WeakPolarHBondContact O-CA 3.35Å; Q2566-L2594 HydrophobicContact CB-CB 4.25Å; Q2566-L2594 PolarHBondContact O-N 2.98Å; Q2566-P2602 VanDerWaalsContact O-CG 3.27Å; Q2566-P2602 WeakPolarHBondContact O-CG 3.43Å
2567	E	88.5	Confident	91.8	Very high	42 Å²	42	20.2 Å²	20.2	20%	0.196	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	10.5	177.2	-67.9	-151.5	157.2	0	0	114.2	G2326 R2327 K2398 P2602	G2326-E2567 PolarHBondContact O-N 3.15Å; R2327-E2567 HydrophobicContact CG-CB 3.57Å; R2327-E2567 WeakPolarHBondContact CG-O 3.16Å; R2327-E2567 IonicContact NE-OE2 3.04Å; K2398-E2567 IonicContact NZ-OE1 3.47Å; K2398-E2567 PolarHBondContact NZ-OE1 2.98Å; K2398-E2567 IonicContact NZ-OE2 3.14Å; K2398-E2567 PolarHBondContact NZ-OE2 2.82Å; E2567-P2602 VanDerWaalsContact C-CG 3.47Å; E2567-P2602 HydrophobicContact CB-CG 4.48Å; E2567-P2602 WeakPolarHBondContact O-CB 3.33Å
2568	G	90.6	Very high	90.9	Very high	0.5 Å²	0.5	21.5 Å²	21.5	1%	0.005	10%	0.104	C	C	.	.			trans	104.5	-173	178.9	0	0	0	0	0	113.7	R2327 G2328 N2565 Q2566 S2603	R2327-G2568 WeakPolarHBondContact CA-O 3.41Å; G2328-G2568 PolarHBondContact N-O 3.04Å; G2328-G2568 VanDerWaalsContact N-O 3.13Å; N2565-G2568 VanDerWaalsContact CB-O 3.31Å; N2565-G2568 WeakPolarHBondContact CB-O 3.33Å; Q2566-G2568 VanDerWaalsContact C-N 3.3Å; Q2566-G2568 PolarHBondContact O-N 3.48Å; G2568-S2603 WeakPolarHBondContact CA-O 3.49Å
2569	G	93.1	Very high	90.5	Very high	0.5 Å²	0.5	20.4 Å²	20.4	1%	0.005	10%	0.099	C	C	.	.	S	Bend	trans	-91.6	-70	-172.9	0	0	0	0	0	113.2	G2328 L2329 A2604	G2328-G2569 CarbonylContact C-O 3.52Å; G2328-G2569 WeakPolarHBondContact CA-O 3.32Å; G2328-G2569 PolarHBondContact N-O 3.04Å; G2328-G2569 VanDerWaalsContact N-O 3.11Å; L2329-G2569 PolarHBondContact N-O 3.05Å; G2569-A2604 CarbonylContact C-O 3.54Å; G2569-A2604 VanDerWaalsContact CA-O 3.26Å; G2569-A2604 WeakPolarHBondContact CA-O 3.37Å; G2569-A2604 PolarHBondContact N-O 3.1Å; G2569-A2604 VanDerWaalsContact N-O 3.11Å
2570	L	95.2	Very high	90.2	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.3	-170.4	177.6	65.2	0	0	0	111.3	L2329 I2557 I2572 L2584 L2587 A2604 I2605 E2606	L2329-L2570 HydrophobicContact CB-CD1 3.89Å; L2329-L2570 HydrophobicContact CD2-CD1 3.64Å; L2329-L2570 HydrophobicContact CG-CD1 3.63Å; L2329-L2570 CarbonylContact O-C 3.53Å; L2329-L2570 WeakPolarHBondContact O-CA 3.26Å; I2557-L2570 HydrophobicContact CD1-CD1 3.95Å; I2557-L2570 HydrophobicContact CD1-CD2 4.37Å; L2570-I2572 HydrophobicContact CD1-CD1 4.37Å; L2570-I2572 HydrophobicContact CD1-CG1 4.05Å; L2570-I2572 HydrophobicContact CD2-CD1 4.18Å; L2570-I2572 HydrophobicContact CD2-CG1 4.43Å; L2570-I2572 HydrophobicContact CG-CD1 4.42Å; L2570-I2572 HydrophobicContact CG-CG1 4.17Å; L2570-L2584 HydrophobicContact CD2-CD1 3.62Å; L2570-L2584 HydrophobicContact CD2-CD2 3.72Å; L2570-L2584 HydrophobicContact CD2-CG 4.32Å; L2570-L2587 HydrophobicContact CD2-CD1 4.47Å; L2570-A2604 PolarHBondContact N-O 3.14Å; L2570-I2605 HydrophobicContact CB-CG1 4.43Å; L2570-I2605 HydrophobicContact CD2-CG2 4.35Å; L2570-I2605 CarbonylContact O-C 3.35Å; L2570-I2605 WeakPolarHBondContact O-CA 3.33Å; L2570-E2606 PolarHBondContact O-N 3.05Å
2571	R	95	Very high	89.9	Confident	42.25 Å²	42.25	19.6 Å²	19.6	16%	0.159	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.3	166.9	-166.1	-166.6	-171.1	-147.2	-0.9	110.3	R2327 L2329 G2330 L2331 P2396 T2573 E2606	R2327-R2571 VanDerWaalsContact CZ-CD 3.46Å; R2327-R2571 VanDerWaalsContact NH1-CB 3.29Å; R2327-R2571 VanDerWaalsContact NH1-CD 3.28Å; R2327-R2571 VanDerWaalsContact NH1-CG 3.3Å; L2329-R2571 PolarHBondContact O-N 2.94Å; G2330-R2571 CarbonylContact C-O 3.51Å; G2330-R2571 WeakPolarHBondContact CA-O 3.2Å; L2331-R2571 PolarHBondContact N-O 2.87Å; P2396-R2571 PolarHBondContact O-NH1 3.14Å; R2571-T2573 HydrophobicContact CG-CG2 4.15Å; R2571-T2573 PolarHBondContact NE-OG1 2.9Å; R2571-T2573 PolarHBondContact NH1-OG1 2.92Å; R2571-T2573 PolarHBondContact NH2-OG1 3.12Å; R2571-E2606 CarbonylContact C-O 3.51Å; R2571-E2606 VanDerWaalsContact CA-O 3.28Å; R2571-E2606 WeakPolarHBondContact CA-O 3.14Å; R2571-E2606 HydrophobicContact CG-CB 4.17Å; R2571-E2606 HydrophobicContact CG-CG 4.34Å; R2571-E2606 IonicContact CZ-OE1 3.68Å; R2571-E2606 IonicContact NE-OE1 3.36Å; R2571-E2606 PolarHBondContact NE-OE1 3.22Å; R2571-E2606 IonicContact NE-OE2 3.12Å; R2571-E2606 IonicContact NH2-OE1 3.33Å; R2571-E2606 PolarHBondContact NH2-OE1 3.49Å
2572	I	95.2	Very high	89.8	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.8	168.2	-50.7	178	0	0	0	109	L2331 I2557 L2570 I2582 L2584 E2606 L2607 Y2608 L2609	L2331-I2572 HydrophobicContact CB-CG1 4.22Å; L2331-I2572 HydrophobicContact CB-CG2 4.24Å; L2331-I2572 HydrophobicContact CD2-CD1 4.44Å; L2331-I2572 HydrophobicContact CD2-CG1 4.43Å; L2331-I2572 HydrophobicContact CD2-CG2 3.95Å; L2331-I2572 HydrophobicContact CG-CG2 4.08Å; L2331-I2572 CarbonylContact O-C 3.5Å; L2331-I2572 WeakPolarHBondContact O-CA 3.33Å; I2557-I2572 HydrophobicContact CD1-CD1 4.28Å; L2570-I2572 HydrophobicContact CD1-CD1 4.37Å; L2570-I2572 HydrophobicContact CD1-CG1 4.05Å; L2570-I2572 HydrophobicContact CD2-CD1 4.18Å; L2570-I2572 HydrophobicContact CD2-CG1 4.43Å; L2570-I2572 HydrophobicContact CG-CD1 4.42Å; L2570-I2572 HydrophobicContact CG-CG1 4.17Å; I2572-I2582 HydrophobicContact CB-CD1 4.44Å; I2572-I2582 HydrophobicContact CD1-CD1 4.25Å; I2572-I2582 HydrophobicContact CD1-CG1 4.48Å; I2572-I2582 HydrophobicContact CD1-CG2 3.73Å; I2572-I2582 HydrophobicContact CG2-CD1 3.69Å; I2572-L2584 HydrophobicContact CD1-CD2 4.17Å; I2572-E2606 PolarHBondContact N-O 3.23Å; I2572-L2607 HydrophobicContact CB-CD2 3.74Å; I2572-L2607 HydrophobicContact CD1-CD2 3.97Å; I2572-L2607 HydrophobicContact CG1-CD2 3.91Å; I2572-L2607 CarbonylContact O-C 3.36Å; I2572-L2607 WeakPolarHBondContact O-CA 3.44Å; I2572-Y2608 PolarHBondContact O-N 2.96Å; I2572-L2609 HydrophobicContact CG2-CD2 4.12Å
2573	T	93.1	Very high	89.7	Confident	1.25 Å²	1.25	20.7 Å²	20.7	1%	0.008	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	117.5	178.3	-40.1	0	0	0	0	108.9	L2331 T2332 I2333 L2392 R2571 V2575 Y2608	L2331-T2573 PolarHBondContact O-N 2.96Å; T2332-T2573 CarbonylContact C-O 3.46Å; T2332-T2573 WeakPolarHBondContact CA-O 3.35Å; T2332-T2573 WeakPolarHBondContact CA-OG1 3.43Å; T2332-T2573 WeakPolarHBondContact CB-OG1 3.36Å; T2332-T2573 PolarHBondContact OG1-OG1 2.75Å; I2333-T2573 PolarHBondContact N-O 3.11Å; L2392-T2573 HydrophobicContact CD1-CG2 3.88Å; L2392-T2573 HydrophobicContact CD2-CG2 3.92Å; R2571-T2573 HydrophobicContact CG-CG2 4.15Å; R2571-T2573 PolarHBondContact NE-OG1 2.9Å; R2571-T2573 PolarHBondContact NH1-OG1 2.92Å; R2571-T2573 PolarHBondContact NH2-OG1 3.12Å; T2573-V2575 HydrophobicContact CG2-CG2 4.31Å; T2573-Y2608 CarbonylContact C-O 3.54Å; T2573-Y2608 WeakPolarHBondContact CA-O 3.35Å; T2573-Y2608 HydrophobicContact CG2-CD1 4.11Å; T2573-Y2608 HydrophobicContact CG2-CG 4.47Å
2574	S	90.1	Very high	89.8	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.6	176	178.3	0	0	0	0	109.6	I2333 G2579 P2580 Y2608 T2610	I2333-S2574 WeakPolarHBondContact O-CA 3.36Å; S2574-G2579 WeakPolarHBondContact OG-CA 3.34Å; S2574-P2580 VanDerWaalsContact OG-CD 3.32Å; S2574-P2580 WeakPolarHBondContact OG-CD 3.3Å; S2574-Y2608 PolarHBondContact N-O 3.08Å; S2574-T2610 PolarHBondContact O-N 2.94Å; S2574-T2610 VanDerWaalsContact O-N 3.16Å; S2574-T2610 PolarHBondContact O-OG1 3.28Å; S2574-T2610 VanDerWaalsContact O-OG1 3.1Å
2575	V	86.4	Confident	89.8	Confident	4.25 Å²	4.25	15.1 Å²	15.1	3%	0.026	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.2	179.6	-176.1	0	0	0	0	109.1	I2333 F2334 N2335 L2392 L2456 T2573 Y2608 T2610	I2333-V2575 PolarHBondContact O-N 3.01Å; F2334-V2575 HydrophobicContact CD1-CB 4.28Å; F2334-V2575 HydrophobicContact CD1-CG2 4.5Å; F2334-V2575 HydrophobicContact CE1-CG2 4.45Å; N2335-V2575 PolarHBondContact N-O 2.96Å; L2392-V2575 HydrophobicContact CD1-CG2 3.9Å; L2392-V2575 HydrophobicContact CD2-CG2 3.71Å; L2392-V2575 HydrophobicContact CG-CG2 3.64Å; L2456-V2575 HydrophobicContact CD2-CG1 4.41Å; T2573-V2575 HydrophobicContact CG2-CG2 4.31Å; V2575-Y2608 HydrophobicContact CG2-CD1 4.42Å; V2575-Y2608 HydrophobicContact CG2-CE1 4.24Å; V2575-T2610 WeakPolarHBondContact CA-OG1 3.45Å
2576	G	79.2	Confident	89.8	Confident	3 Å²	3	17.5 Å²	17.5	3%	0.031	9%	0.085	C	C	.	.	S	Bend	trans	140.3	-170.3	175.1	0	0	0	0	0	113.5	N2335 T2610 N2611	N2335-G2576 CarbonylContact O-C 3.55Å; N2335-G2576 VanDerWaalsContact O-CA 3.32Å; N2335-G2576 WeakPolarHBondContact O-CA 3.3Å; G2576-T2610 PolarHBondContact N-OG1 2.87Å; G2576-T2610 VanDerWaalsContact N-OG1 3.17Å; G2576-T2610 PolarHBondContact O-OG1 3.14Å; G2576-N2611 PolarHBondContact O-ND2 3.13Å
2577	E	74.7	Confident	90.1	Very high	17.25 Å²	17.25	15 Å²	15	8%	0.081	7%	0.073	C	C	.	.	S	Bend	trans	-72.4	-34.5	-175.7	-147.6	-172.3	-176.7	0	0	113.4	N2335 D2337 S2338 T2339 L2366 R2454 N2611	N2335-E2577 PolarHBondContact O-N 2.74Å; D2337-E2577 WeakPolarHBondContact CA-OE2 3.17Å; D2337-E2577 HydrophobicContact CB-CB 4.13Å; D2337-E2577 HydrophobicContact CB-CG 4.47Å; D2337-E2577 WeakPolarHBondContact OD1-CB 3.46Å; D2337-E2577 VanDerWaalsContact OD1-CD 3.31Å; D2337-E2577 VanDerWaalsContact OD1-CG 3.3Å; D2337-E2577 WeakPolarHBondContact OD1-CG 3.46Å; S2338-E2577 WeakPolarHBondContact CB-OE2 3.36Å; S2338-E2577 PolarHBondContact N-OE2 3.18Å; S2338-E2577 PolarHBondContact OG-OE2 2.99Å; T2339-E2577 WeakPolarHBondContact CG2-OE1 3.25Å; T2339-E2577 PolarHBondContact N-OE2 2.9Å; L2366-E2577 HydrophobicContact CD2-CG 3.98Å; L2366-E2577 WeakPolarHBondContact CD2-OE1 3.45Å; R2454-E2577 IonicContact CZ-OE1 3.78Å; R2454-E2577 IonicContact NH1-OE1 2.63Å; R2454-E2577 PolarHBondContact NH1-OE1 2.81Å; R2454-E2577 IonicContact NH2-OE1 2.99Å; R2454-E2577 PolarHBondContact NH2-OE1 2.92Å; R2454-E2577 VanDerWaalsContact NH2-OE1 3.09Å; E2577-N2611 WeakPolarHBondContact O-CB 3.41Å; E2577-N2611 PolarHBondContact O-ND2 3.21Å
2578	F	77.7	Confident	90.5	Very high	30.25 Å²	30.25	14.6 Å²	14.6	13%	0.133	7%	0.07	C	C	.	.	S	Bend	trans	-120	129.3	175.5	-56.6	-66.8	0	0	0	109.4	N2335 D2337 R2551	N2335-F2578 VanDerWaalsContact CB-O 3.24Å; N2335-F2578 WeakPolarHBondContact CB-O 3.39Å; N2335-F2578 VanDerWaalsContact CG-O 3.28Å; N2335-F2578 PolarHBondContact ND2-O 2.92Å; D2337-F2578 HydrophobicContact CB-CD2 4.47Å; D2337-F2578 HydrophobicContact CB-CE2 3.54Å; D2337-F2578 HydrophobicContact CB-CZ 3.93Å; D2337-F2578 VanDerWaalsContact CG-CE2 3.44Å; D2337-F2578 WeakPolarHBondContact OD2-CE2 3.37Å; D2337-F2578 WeakPolarHBondContact OD2-CZ 3.46Å; R2551-F2578 HydrophobicContact CB-CD1 4.47Å; R2551-F2578 HydrophobicContact CG-CB 4.31Å; R2551-F2578 HydrophobicContact CG-CD1 3.95Å; R2551-F2578 HydrophobicContact CG-CD2 3.82Å; R2551-F2578 HydrophobicContact CG-CE1 4.3Å; R2551-F2578 HydrophobicContact CG-CE2 4.19Å; R2551-F2578 HydrophobicContact CG-CG 4.01Å; R2551-F2578 HydrophobicContact CG-CZ 4.46Å; R2551-F2578 VanDerWaalsContact CZ-CZ 3.49Å; R2551-F2578 VanDerWaalsContact NE-CE1 3.27Å
2579	G	84.1	Confident	90.8	Very high	6.75 Å²	6.75	14.6 Å²	14.6	7%	0.07	7%	0.07	C	C	.	.	P	Polyproline II helix	trans	-101	153.5	168	0	0	0	0	0	111.4	S2574 T2610 N2611 S2612	S2574-G2579 WeakPolarHBondContact OG-CA 3.34Å; G2579-T2610 WeakPolarHBondContact CA-O 3.3Å; G2579-T2610 PolarHBondContact N-O 3.39Å; G2579-N2611 PolarHBondContact N-O 3.15Å; G2579-S2612 WeakPolarHBondContact CA-OG 3.32Å
2580	P	88.3	Confident	90.9	Very high	2.25 Å²	2.25	16.2 Å²	16.2	2%	0.015	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-79	166.4	177.3	35.8	-37.3	0	0	0	112	I2333 L2553 H2555 S2574 I2582 S2612	I2333-P2580 HydrophobicContact CD1-CB 4.37Å; I2333-P2580 HydrophobicContact CD1-CG 3.69Å; L2553-P2580 HydrophobicContact CB-CB 4.34Å; L2553-P2580 WeakPolarHBondContact O-CA 3.15Å; L2553-P2580 WeakPolarHBondContact O-CB 3.25Å; H2555-P2580 WeakPolarHBondContact CD2-CB 3.17Å; H2555-P2580 VanDerWaalsContact CD2-CG 3.46Å; H2555-P2580 WeakPolarHBondContact CD2-CG 3.34Å; H2555-P2580 WeakPolarHBondContact NE2-CB 3.28Å; S2574-P2580 VanDerWaalsContact OG-CD 3.32Å; S2574-P2580 WeakPolarHBondContact OG-CD 3.3Å; P2580-I2582 HydrophobicContact CG-CD1 4.02Å; P2580-I2582 HydrophobicContact CG-CG1 4.22Å; P2580-S2612 VanDerWaalsContact O-CB 3.22Å; P2580-S2612 WeakPolarHBondContact O-CB 3.31Å
2581	D	91.5	Very high	90.8	Very high	30.25 Å²	30.25	19.8 Å²	19.8	16%	0.162	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133	168.1	-66.2	-32.1	0	0	0	110.5	L2553 K2554 H2555 Y2583 R2613 S2614	L2553-D2581 PolarHBondContact O-N 3.16Å; K2554-D2581 WeakPolarHBondContact CA-O 3.3Å; H2555-D2581 PolarHBondContact N-O 3.1Å; D2581-Y2583 HydrophobicContact CB-CD2 4.42Å; D2581-Y2583 HydrophobicContact CB-CE2 3.82Å; D2581-R2613 WeakPolarHBondContact OD1-CB 3.43Å; D2581-R2613 PolarHBondContact OD1-N 2.64Å; D2581-S2614 WeakPolarHBondContact CA-O 3.24Å; D2581-S2614 PolarHBondContact OD1-N 3.03Å
2582	I	94.2	Very high	90.7	Very high	1.25 Å²	1.25	17.8 Å²	17.8	1%	0.006	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.1	-172.6	-68.2	163.3	0	0	0	110.3	I2572 P2580 L2584 L2609 S2614 L2615 L2616	I2572-I2582 HydrophobicContact CB-CD1 4.44Å; I2572-I2582 HydrophobicContact CD1-CD1 4.25Å; I2572-I2582 HydrophobicContact CD1-CG1 4.48Å; I2572-I2582 HydrophobicContact CD1-CG2 3.73Å; I2572-I2582 HydrophobicContact CG2-CD1 3.69Å; P2580-I2582 HydrophobicContact CG-CD1 4.02Å; P2580-I2582 HydrophobicContact CG-CG1 4.22Å; I2582-L2584 HydrophobicContact CG2-CD1 4.36Å; I2582-L2584 HydrophobicContact CG2-CD2 4Å; I2582-L2584 HydrophobicContact CG2-CG 3.9Å; I2582-L2609 HydrophobicContact CD1-CD1 3.69Å; I2582-L2609 HydrophobicContact CD1-CD2 3.25Å; I2582-L2609 HydrophobicContact CD1-CG 4.12Å; I2582-S2614 PolarHBondContact N-O 3.08Å; I2582-L2615 HydrophobicContact CB-CD1 4Å; I2582-L2615 HydrophobicContact CG2-CD1 3.77Å; I2582-L2615 CarbonylContact O-C 3.48Å; I2582-L2615 WeakPolarHBondContact O-CA 3.3Å; I2582-L2616 PolarHBondContact O-N 2.95Å
2583	Y	94.8	Very high	90.5	Very high	64.25 Å²	64.25	18.4 Å²	18.4	25%	0.252	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113.2	179.1	-69.1	-104	0	0	0	109.5	K2554 H2555 E2556 I2557 D2581 L2616	K2554-Y2583 HydrophobicContact CD-CD2 3.85Å; K2554-Y2583 HydrophobicContact CD-CE2 3.86Å; K2554-Y2583 HydrophobicContact CD-CG 4.44Å; K2554-Y2583 VanDerWaalsContact CE-CG 3.48Å; K2554-Y2583 HydrophobicContact CG-CD2 3.49Å; K2554-Y2583 VanDerWaalsContact CG-CD2 3.44Å; K2554-Y2583 HydrophobicContact CG-CE2 3.68Å; K2554-Y2583 HydrophobicContact CG-CG 4.42Å; H2555-Y2583 PolarHBondContact O-N 2.84Å; E2556-Y2583 WeakPolarHBondContact CA-O 3.25Å; I2557-Y2583 PolarHBondContact N-O 3.03Å; D2581-Y2583 HydrophobicContact CB-CD2 4.42Å; D2581-Y2583 HydrophobicContact CB-CE2 3.82Å; Y2583-L2616 HydrophobicContact CD1-CB 3.92Å; Y2583-L2616 HydrophobicContact CD1-CD2 3.63Å; Y2583-L2616 HydrophobicContact CD1-CG 4.38Å; Y2583-L2616 HydrophobicContact CE1-CB 4.3Å; Y2583-L2616 HydrophobicContact CE1-CD2 4Å; Y2583-L2616 HydrophobicContact CG-CB 4.46Å
2584	L	95.9	Very high	90.2	Very high	0.5 Å²	0.5	19.9 Å²	19.9	0%	0.003	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.1	177.7	-54.7	-179.3	0	0	0	107.7	I2557 L2570 I2572 I2582 L2587 I2605 L2616 L2617 Q2618	I2557-L2584 HydrophobicContact CB-CD2 3.89Å; I2557-L2584 HydrophobicContact CD1-CD2 3.69Å; I2557-L2584 HydrophobicContact CG1-CD2 4.22Å; I2557-L2584 WeakPolarHBondContact O-CA 3.39Å; L2570-L2584 HydrophobicContact CD2-CD1 3.62Å; L2570-L2584 HydrophobicContact CD2-CD2 3.72Å; L2570-L2584 HydrophobicContact CD2-CG 4.32Å; I2572-L2584 HydrophobicContact CD1-CD2 4.17Å; I2582-L2584 HydrophobicContact CG2-CD1 4.36Å; I2582-L2584 HydrophobicContact CG2-CD2 4Å; I2582-L2584 HydrophobicContact CG2-CG 3.9Å; L2584-L2587 HydrophobicContact CB-CD1 3.89Å; L2584-L2587 HydrophobicContact CD2-CD1 4.41Å; L2584-L2587 HydrophobicContact CG-CD1 4.49Å; L2584-I2605 HydrophobicContact CD1-CG2 4.48Å; L2584-L2616 WeakPolarHBondContact CB-O 3.3Å; L2584-L2616 PolarHBondContact N-O 2.94Å; L2584-L2617 HydrophobicContact CB-CB 4.35Å; L2584-L2617 HydrophobicContact CB-CD1 3.56Å; L2584-L2617 HydrophobicContact CD1-CD1 4.13Å; L2584-L2617 HydrophobicContact CG-CD1 4.48Å; L2584-L2617 VanDerWaalsContact O-CA 3.31Å; L2584-L2617 WeakPolarHBondContact O-CA 3.34Å; L2584-Q2618 PolarHBondContact O-N 3.04Å
2585	S	93.7	Very high	89.8	Confident	13.75 Å²	13.75	21.8 Å²	21.8	10%	0.096	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.8	-179.1	51.1	0	0	0	0	113.1	I2557 D2558 T2559 L2587 Q2618	I2557-S2585 PolarHBondContact O-N 3.35Å; I2557-S2585 VanDerWaalsContact O-N 3.08Å; D2558-S2585 VanDerWaalsContact CA-O 3.31Å; D2558-S2585 WeakPolarHBondContact CA-O 3.37Å; D2558-S2585 VanDerWaalsContact CG-OG 3.31Å; D2558-S2585 WeakPolarHBondContact OD1-CB 3.31Å; D2558-S2585 VanDerWaalsContact OD1-O 3.14Å; D2558-S2585 PolarHBondContact OD1-OG 3.03Å; T2559-S2585 PolarHBondContact N-O 2.68Å; T2559-S2585 VanDerWaalsContact N-O 3.09Å; S2585-L2587 WeakPolarHBondContact O-CD2 3.36Å; S2585-L2587 PolarHBondContact O-N 2.88Å; S2585-L2587 VanDerWaalsContact O-N 3.13Å; S2585-Q2618 WeakPolarHBondContact CA-O 3.35Å
2586	N	94.4	Very high	89.6	Confident	51.25 Å²	51.25	22 Å²	22	27%	0.274	11%	0.113	S	C	.	.	S	Bend	trans	54.9	35.2	174.5	-49.8	-54.9	0	0	0	112.9	D2558 T2559 Q2618 N2619 P2917	D2558-N2586 PolarHBondContact OD1-ND2 2.91Å; T2559-N2586 WeakPolarHBondContact CA-O 3.38Å; T2559-N2586 HydrophobicContact CG2-CB 3.91Å; N2586-Q2618 PolarHBondContact N-O 2.97Å; N2586-N2619 VanDerWaalsContact CA-O 3.28Å; N2586-N2619 WeakPolarHBondContact CA-O 3.21Å; N2586-N2619 PolarHBondContact N-O 3.34Å; N2586-N2619 WeakPolarHBondContact OD1-CB 3.38Å; N2586-P2917 HydrophobicContact CB-CB 4.49Å; N2586-P2917 HydrophobicContact CB-CG 4.36Å
2587	L	96.9	Very high	89.4	Confident	0.5 Å²	0.5	22.4 Å²	22.4	0%	0.003	11%	0.114	C	C	.	.			trans	-83.3	147.2	-178.9	-54.9	-174.6	0	0	0	111.2	I2557 C2560 L2570 L2584 S2585 L2589 L2617 S2620 Y2621	I2557-L2587 HydrophobicContact CG2-CD2 3.88Å; C2560-L2587 HydrophobicContact CB-CD2 3.99Å; C2560-L2587 WeakPolarHBondContact O-CA 3.4Å; L2570-L2587 HydrophobicContact CD2-CD1 4.47Å; L2584-L2587 HydrophobicContact CB-CD1 3.89Å; L2584-L2587 HydrophobicContact CD2-CD1 4.41Å; L2584-L2587 HydrophobicContact CG-CD1 4.49Å; S2585-L2587 WeakPolarHBondContact O-CD2 3.36Å; S2585-L2587 PolarHBondContact O-N 2.88Å; S2585-L2587 VanDerWaalsContact O-N 3.13Å; L2587-L2589 HydrophobicContact CB-CD1 3.81Å; L2587-L2589 HydrophobicContact CD1-CD1 4.49Å; L2587-L2617 HydrophobicContact CD1-CD1 4.34Å; L2587-S2620 PolarHBondContact N-OG 2.93Å; L2587-S2620 CarbonylContact O-C 3.46Å; L2587-S2620 VanDerWaalsContact O-CA 3.29Å; L2587-S2620 WeakPolarHBondContact O-CA 3.16Å; L2587-S2620 WeakPolarHBondContact O-CB 3.18Å; L2587-Y2621 PolarHBondContact O-N 3.04Å
2588	R	96.4	Very high	89.5	Confident	34.75 Å²	34.75	25.9 Å²	25.9	13%	0.131	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.4	170.1	-82.5	-176.1	83.6	143.3	-9.2	110.4	C2560 E2561 F2562 E2590 Y2621 P2917 E2922	C2560-R2588 PolarHBondContact O-N 3Å; E2561-R2588 CarbonylContact C-O 3.54Å; E2561-R2588 VanDerWaalsContact CA-O 3.29Å; E2561-R2588 WeakPolarHBondContact CA-O 3.27Å; E2561-R2588 HydrophobicContact CB-CB 4.22Å; E2561-R2588 HydrophobicContact CG-CB 4.07Å; E2561-R2588 HydrophobicContact CG-CG 4.47Å; E2561-R2588 WeakPolarHBondContact OE1-CD 3.47Å; E2561-R2588 IonicContact OE1-NH1 3.09Å; F2562-R2588 PolarHBondContact N-O 3.06Å; R2588-E2590 HydrophobicContact CG-CG 4.34Å; R2588-E2590 IonicContact CZ-OE1 3.24Å; R2588-E2590 IonicContact NE-OE1 3.1Å; R2588-E2590 PolarHBondContact NE-OE1 3.12Å; R2588-E2590 IonicContact NH2-OE1 3.28Å; R2588-E2590 PolarHBondContact NH2-OE1 2.9Å; R2588-E2590 IonicContact NH2-OE2 3.65Å; R2588-Y2621 CarbonylContact C-O 3.49Å; R2588-Y2621 WeakPolarHBondContact CA-O 3.32Å; R2588-P2917 HydrophobicContact CG-CG 3.88Å; R2588-P2917 PolarHBondContact NH1-O 3Å; R2588-E2922 IonicContact CZ-OE2 3.82Å; R2588-E2922 VanDerWaalsContact CZ-OE2 3.28Å; R2588-E2922 IonicContact NH1-OE2 2.75Å; R2588-E2922 PolarHBondContact NH1-OE2 2.87Å; R2588-E2922 IonicContact NH2-OE2 3.37Å; R2588-E2922 PolarHBondContact NH2-OE2 3.03Å
2589	L	96.6	Very high	89.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	107.4	177.6	-70.6	87.5	0	0	0	108.7	F2562 L2587 A2604 I2605 Y2621 I2622 A2623	F2562-L2589 HydrophobicContact CB-CG 4.26Å; F2562-L2589 HydrophobicContact CD2-CD1 4.26Å; F2562-L2589 HydrophobicContact CD2-CG 4.03Å; F2562-L2589 WeakPolarHBondContact O-CA 3.33Å; L2587-L2589 HydrophobicContact CB-CD1 3.81Å; L2587-L2589 HydrophobicContact CD1-CD1 4.49Å; L2589-A2604 HydrophobicContact CD2-CB 3.89Å; L2589-A2604 VanDerWaalsContact CD2-O 3.28Å; L2589-A2604 WeakPolarHBondContact CD2-O 3.4Å; L2589-I2605 HydrophobicContact CD1-CD1 4.32Å; L2589-I2605 HydrophobicContact CD2-CD1 4.35Å; L2589-I2605 HydrophobicContact CD2-CG1 3.76Å; L2589-Y2621 PolarHBondContact N-O 3Å; L2589-I2622 HydrophobicContact CB-CB 4.48Å; L2589-I2622 HydrophobicContact CB-CG1 4.28Å; L2589-I2622 HydrophobicContact CB-CG2 4.04Å; L2589-I2622 HydrophobicContact CD1-CG1 4.23Å; L2589-I2622 WeakPolarHBondContact O-CA 3.4Å; L2589-A2623 PolarHBondContact O-N 3.03Å
2590	E	94.9	Very high	89.5	Confident	34.5 Å²	34.5	28.9 Å²	28.9	16%	0.161	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.9	-176.9	-62.1	173.3	-145.7	0	0	112.9	F2562 H2563 H2564 R2588 N2592 Y2621 A2623	F2562-E2590 PolarHBondContact O-N 3.31Å; H2563-E2590 WeakPolarHBondContact CA-O 3.26Å; H2563-E2590 IonicContact CE1-OE1 3.09Å; H2563-E2590 IonicContact CE1-OE2 3.49Å; H2564-E2590 PolarHBondContact N-O 2.93Å; H2564-E2590 VanDerWaalsContact N-O 3.16Å; R2588-E2590 HydrophobicContact CG-CG 4.34Å; R2588-E2590 IonicContact CZ-OE1 3.24Å; R2588-E2590 IonicContact NE-OE1 3.1Å; R2588-E2590 PolarHBondContact NE-OE1 3.12Å; R2588-E2590 IonicContact NH2-OE1 3.28Å; R2588-E2590 PolarHBondContact NH2-OE1 2.9Å; R2588-E2590 IonicContact NH2-OE2 3.65Å; E2590-N2592 PolarHBondContact N-ND2 3.25Å; E2590-N2592 VanDerWaalsContact N-ND2 3.2Å; E2590-N2592 PolarHBondContact O-N 3.14Å; E2590-N2592 VanDerWaalsContact O-N 3.07Å; E2590-N2592 PolarHBondContact O-ND2 3.12Å; E2590-Y2621 HydrophobicContact CG-CD1 4.14Å; E2590-Y2621 HydrophobicContact CG-CE1 3.93Å; E2590-Y2621 WeakPolarHBondContact OE1-CD1 3.36Å; E2590-Y2621 WeakPolarHBondContact OE1-CE1 3.35Å; E2590-A2623 VanDerWaalsContact CA-O 3.31Å; E2590-A2623 WeakPolarHBondContact CA-O 3.36Å; E2590-A2623 HydrophobicContact CG-CB 4.45Å
2591	E	93.9	Very high	89.4	Confident	77.25 Å²	77.25	29.1 Å²	29.1	36%	0.361	15%	0.154	S	C	.	.	S	Bend	trans	54.1	30.3	172.5	-60.2	-176.2	-174.5	0	0	113.8	H2564 A2623 K2624	H2564-E2591 WeakPolarHBondContact CA-O 3.3Å; H2564-E2591 IonicContact CD2-OE2 3.13Å; H2564-E2591 IonicContact CE1-OE2 3.35Å; H2564-E2591 PolarHBondContact CE1-OE2 3.01Å; H2564-E2591 VanDerWaalsContact CE1-OE2 3.32Å; H2564-E2591 IonicContact ND1-OE2 3.35Å; H2564-E2591 IonicContact NE2-OE2 2.72Å; H2564-E2591 PolarHBondContact NE2-OE2 3.14Å; H2564-E2591 VanDerWaalsContact NE2-OE2 3.13Å; E2591-A2623 PolarHBondContact N-O 2.97Å; E2591-A2623 VanDerWaalsContact N-O 3.14Å; E2591-K2624 HydrophobicContact CG-CB 3.76Å; E2591-K2624 HydrophobicContact CG-CD 3.66Å; E2591-K2624 HydrophobicContact CG-CG 4.43Å; E2591-K2624 WeakPolarHBondContact OE1-CD 3.27Å; E2591-K2624 WeakPolarHBondContact OE1-CE 3.45Å; E2591-K2624 IonicContact OE1-NZ 3.28Å; E2591-K2624 PolarHBondContact OE1-NZ 3.04Å
2592	N	93.4	Very high	89.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.			trans	-86.7	162.5	174.4	-57.5	-68.7	0	0	0	111.3	F2562 H2564 N2565 E2590 H2625 S2626	F2562-N2592 PolarHBondContact O-ND2 3.12Å; H2564-N2592 PolarHBondContact N-OD1 2.98Å; N2565-N2592 WeakPolarHBondContact CB-OD1 3.43Å; N2565-N2592 PolarHBondContact N-OD1 3.09Å; N2565-N2592 PolarHBondContact ND2-OD1 3.26Å; N2565-N2592 VanDerWaalsContact ND2-OD1 3.14Å; N2565-N2592 CarbonylContact O-C 3.58Å; N2565-N2592 WeakPolarHBondContact O-CA 3.44Å; E2590-N2592 PolarHBondContact N-ND2 3.25Å; E2590-N2592 VanDerWaalsContact N-ND2 3.2Å; E2590-N2592 PolarHBondContact O-N 3.14Å; E2590-N2592 VanDerWaalsContact O-N 3.07Å; E2590-N2592 PolarHBondContact O-ND2 3.12Å; N2592-H2625 WeakPolarHBondContact CB-ND1 3.43Å; N2592-H2625 WeakPolarHBondContact O-CA 3.18Å; N2592-H2625 PolarHBondContact O-CE1 2.86Å; N2592-H2625 PolarHBondContact O-ND1 3.17Å; N2592-H2625 VanDerWaalsContact O-ND1 3.09Å; N2592-S2626 PolarHBondContact O-N 3Å
2593	G	89.5	Confident	89.3	Confident	13.5 Å²	13.5	29.4 Å²	29.4	14%	0.139	16%	0.158	C	C	.	.	S	Bend	trans	88.8	127.7	176.4	0	0	0	0	0	113.7	N2565 Q2566 S2626	N2565-G2593 PolarHBondContact O-N 3.11Å; Q2566-G2593 CarbonylContact O-C 3.51Å; Q2566-G2593 WeakPolarHBondContact O-CA 3.35Å; G2593-S2626 WeakPolarHBondContact CA-O 3.49Å; G2593-S2626 WeakPolarHBondContact O-CB 3.3Å
2594	L	86.6	Confident	89.3	Confident	33.25 Å²	33.25	26.4 Å²	26.4	17%	0.174	15%	0.146	C	C	.	.			trans	-93.3	119.7	175.8	-171.3	70.6	0	0	0	111.6	I2149 Q2566 M2596	I2149-L2594 HydrophobicContact CD1-CD2 3.39Å; Q2566-L2594 HydrophobicContact CB-CB 4.25Å; Q2566-L2594 PolarHBondContact O-N 2.98Å; L2594-M2596 HydrophobicContact CD2-CE 4.04Å; L2594-M2596 HydrophobicContact CD2-CG 4.41Å; L2594-M2596 HydrophobicContact CD2-SD 4.23Å; L2594-M2596 HydrophobicContact CG-CG 4.42Å; L2594-M2596 HydrophobicContact CG-SD 4.46Å
2595	V	82.7	Confident	89.4	Confident	38.75 Å²	38.75	26.4 Å²	26.4	24%	0.235	15%	0.146	C	C	.	.			trans	-85.2	139	170.3	-178.1	0	0	0	0	110.8	S2626 L2657	V2595-S2626 VanDerWaalsContact CG2-CB 3.47Å; V2595-L2657 HydrophobicContact CB-CD1 4.49Å; V2595-L2657 HydrophobicContact CG1-CD1 3.57Å; V2595-L2657 HydrophobicContact CG2-CD1 4.13Å
2596	M	81.7	Confident	89.5	Confident	8 Å²	8	27.5 Å²	27.5	4%	0.039	15%	0.15	C	C	.	.			trans	-137.6	132.5	172.5	-64.3	-88.7	-94.5	0	0	108.3	I2149 R2151 F2208 R2210 L2594 N2598 L2599	I2149-M2596 HydrophobicContact CB-CE 4.06Å; I2149-M2596 HydrophobicContact CD1-CE 4.18Å; I2149-M2596 HydrophobicContact CG2-CE 3.83Å; I2149-M2596 HydrophobicContact CG2-SD 3.81Å; R2151-M2596 HydrophobicContact CG-CB 4.35Å; R2151-M2596 HydrophobicContact CG-CG 4.45Å; R2151-M2596 HydrophobicContact CG-SD 3.58Å; R2151-M2596 VanDerWaalsContact CG-SD 3.58Å; F2208-M2596 HydrophobicContact CD1-CE 3.95Å; F2208-M2596 HydrophobicContact CE1-CE 3.73Å; R2210-M2596 HydrophobicContact CB-CE 3.38Å; R2210-M2596 VanDerWaalsContact CB-CE 3.46Å; R2210-M2596 HydrophobicContact CB-SD 4.34Å; R2210-M2596 VanDerWaalsContact CD-CE 3.5Å; R2210-M2596 VanDerWaalsContact CD-SD 3.52Å; R2210-M2596 WeakPolarHBondContact CD-SD 3.25Å; R2210-M2596 HydrophobicContact CG-CE 4.08Å; R2210-M2596 HydrophobicContact CG-SD 4.46Å; R2210-M2596 PolarHBondContact NH1-SD 3.15Å; R2210-M2596 VanDerWaalsContact NH1-SD 3.36Å; L2594-M2596 HydrophobicContact CD2-CE 4.04Å; L2594-M2596 HydrophobicContact CD2-CG 4.41Å; L2594-M2596 HydrophobicContact CD2-SD 4.23Å; L2594-M2596 HydrophobicContact CG-CG 4.42Å; L2594-M2596 HydrophobicContact CG-SD 4.46Å; M2596-N2598 PolarHBondContact O-N 3.23Å; M2596-N2598 VanDerWaalsContact O-N 3.13Å; M2596-L2599 VanDerWaalsContact O-CB 3.27Å; M2596-L2599 WeakPolarHBondContact O-CB 3.39Å; M2596-L2599 WeakPolarHBondContact O-CG 3.47Å; M2596-L2599 PolarHBondContact O-N 3.14Å
2597	L	75.8	Confident	89.6	Confident	13 Å²	13	25.2 Å²	25.2	7%	0.068	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	27.4	177.5	-66.1	175.2	0	0	0	115.6	F2110 Y2159 F2208 L2599	F2110-L2597 HydrophobicContact CE1-CD1 4.26Å; F2110-L2597 HydrophobicContact CE2-CD1 4.19Å; F2110-L2597 HydrophobicContact CE2-CD2 4.26Å; F2110-L2597 HydrophobicContact CZ-CD1 3.76Å; F2110-L2597 HydrophobicContact CZ-CD2 4.34Å; Y2159-L2597 HydrophobicContact CD1-CD2 4.09Å; Y2159-L2597 HydrophobicContact CD2-CD2 3.71Å; Y2159-L2597 HydrophobicContact CE1-CD2 4.05Å; Y2159-L2597 HydrophobicContact CE2-CB 4.04Å; Y2159-L2597 HydrophobicContact CE2-CD2 3.65Å; Y2159-L2597 HydrophobicContact CE2-CG 4.42Å; Y2159-L2597 HydrophobicContact CG-CD2 3.94Å; Y2159-L2597 WeakPolarHBondContact OH-CA 3.47Å; Y2159-L2597 PolarHBondContact OH-O 3.06Å; F2208-L2597 HydrophobicContact CB-CD1 3.94Å; F2208-L2597 HydrophobicContact CD1-CD1 4.02Å; F2208-L2597 HydrophobicContact CD1-CG 4.09Å; F2208-L2597 HydrophobicContact CD2-CD1 3.62Å; F2208-L2597 VanDerWaalsContact CD2-CD1 3.44Å; F2208-L2597 HydrophobicContact CD2-CD2 3.93Å; F2208-L2597 HydrophobicContact CD2-CG 3.97Å; F2208-L2597 HydrophobicContact CE1-CD1 4.37Å; F2208-L2597 HydrophobicContact CE1-CD2 4.33Å; F2208-L2597 HydrophobicContact CE1-CG 3.98Å; F2208-L2597 HydrophobicContact CE2-CD1 4.05Å; F2208-L2597 HydrophobicContact CE2-CD2 3.47Å; F2208-L2597 VanDerWaalsContact CE2-CD2 3.46Å; F2208-L2597 HydrophobicContact CE2-CG 3.87Å; F2208-L2597 HydrophobicContact CG-CD1 3.59Å; F2208-L2597 VanDerWaalsContact CG-CD1 3.49Å; F2208-L2597 HydrophobicContact CG-CD2 4.4Å; F2208-L2597 HydrophobicContact CG-CG 4.07Å; F2208-L2597 HydrophobicContact CZ-CD1 4.34Å; F2208-L2597 HydrophobicContact CZ-CD2 3.69Å; F2208-L2597 HydrophobicContact CZ-CG 3.86Å; L2597-L2599 HydrophobicContact CB-CD1 4.05Å; L2597-L2599 HydrophobicContact CB-CG 4Å; L2597-L2599 HydrophobicContact CD1-CD1 4.31Å; L2597-L2599 PolarHBondContact O-N 2.91Å; L2597-L2599 VanDerWaalsContact O-N 3.1Å
2598	N	75.7	Confident	89.4	Confident	89.25 Å²	89.25	27.3 Å²	27.3	48%	0.477	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	20.5	-169.9	-62.5	-47.3	0	0	0	114.4	Y2159 M2596 L2657 R2686	Y2159-N2598 PolarHBondContact OH-ND2 2.97Å; M2596-N2598 PolarHBondContact O-N 3.23Å; M2596-N2598 VanDerWaalsContact O-N 3.13Å; N2598-L2657 HydrophobicContact CB-CD1 4.32Å; N2598-L2657 HydrophobicContact CB-CD2 4.47Å; N2598-R2686 PolarHBondContact O-NH2 2.92Å
2599	L	78.9	Confident	89.3	Confident	44.25 Å²	44.25	25.7 Å²	25.7	23%	0.232	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-77.7	162.8	170.9	-59.2	171.3	0	0	0	110.4	L2155 M2596 L2597 G2601	L2155-L2599 HydrophobicContact CD1-CD2 3.86Å; L2155-L2599 HydrophobicContact CD1-CG 4.35Å; M2596-L2599 VanDerWaalsContact O-CB 3.27Å; M2596-L2599 WeakPolarHBondContact O-CB 3.39Å; M2596-L2599 WeakPolarHBondContact O-CG 3.47Å; M2596-L2599 PolarHBondContact O-N 3.14Å; L2597-L2599 HydrophobicContact CB-CD1 4.05Å; L2597-L2599 HydrophobicContact CB-CG 4Å; L2597-L2599 HydrophobicContact CD1-CD1 4.31Å; L2597-L2599 PolarHBondContact O-N 2.91Å; L2597-L2599 VanDerWaalsContact O-N 3.1Å; L2599-G2601 PolarHBondContact O-N 3.39Å
2600	T	83.4	Confident	88.9	Confident	56 Å²	56	25.7 Å²	25.7	34%	0.344	14%	0.14	S	C	.	.	P	Polyproline II helix	trans	-60.8	125.7	176.9	-32.6	0	0	0	0	109.3	D2628 L2657 R2686	T2600-D2628 WeakPolarHBondContact CG2-OD1 3.23Å; T2600-D2628 WeakPolarHBondContact CG2-OD2 3.37Å; T2600-L2657 WeakPolarHBondContact CA-O 3.33Å; T2600-L2657 WeakPolarHBondContact CG2-O 3.43Å; T2600-R2686 VanDerWaalsContact N-NH2 3.17Å; T2600-R2686 VanDerWaalsContact OG1-CZ 3.31Å; T2600-R2686 PolarHBondContact OG1-NE 3.27Å; T2600-R2686 PolarHBondContact OG1-NH2 3.16Å; T2600-R2686 VanDerWaalsContact OG1-NH2 3.13Å
2601	G	86.2	Confident	88.5	Confident	7 Å²	7	24.3 Å²	24.3	7%	0.072	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-72.1	172.8	167.7	0	0	0	0	0	111.9	L2599 S2626 G2627	L2599-G2601 PolarHBondContact O-N 3.39Å; G2601-S2626 WeakPolarHBondContact CA-O 3.29Å; G2601-G2627 WeakPolarHBondContact O-CA 3.36Å
2602	P	90.6	Very high	88.2	Confident	27 Å²	27	20.7 Å²	20.7	18%	0.175	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-67	158.3	176.2	27.8	-29.9	0	0	0	111.8	Q2566 E2567 H2625	Q2566-P2602 VanDerWaalsContact O-CG 3.27Å; Q2566-P2602 WeakPolarHBondContact O-CG 3.43Å; E2567-P2602 VanDerWaalsContact C-CG 3.47Å; E2567-P2602 HydrophobicContact CB-CG 4.48Å; E2567-P2602 WeakPolarHBondContact O-CB 3.33Å; P2602-H2625 PolarHBondContact O-CE1 3.26Å; P2602-H2625 VanDerWaalsContact O-CE1 3.31Å; P2602-H2625 PolarHBondContact O-NE2 3.07Å
2603	S	93.9	Very high	88	Confident	11.6667 Å²	11.6667	24.7 Å²	24.7	8%	0.082	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-72.4	145.1	-173.3	-46.8	0	0	0	0	113	G2568 D2628	G2568-S2603 WeakPolarHBondContact CA-O 3.49Å; S2603-D2628 CarbonylContact C-O 3.56Å; S2603-D2628 WeakPolarHBondContact CA-O 3.36Å
2604	A	95.2	Very high	88.1	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-67.6	-46.2	175.2	0	0	0	0	0	110.9	G2569 L2570 L2589 I2622 H2625 D2628 I2629	G2569-A2604 CarbonylContact C-O 3.54Å; G2569-A2604 VanDerWaalsContact CA-O 3.26Å; G2569-A2604 WeakPolarHBondContact CA-O 3.37Å; G2569-A2604 PolarHBondContact N-O 3.1Å; G2569-A2604 VanDerWaalsContact N-O 3.11Å; L2570-A2604 PolarHBondContact N-O 3.14Å; L2589-A2604 HydrophobicContact CD2-CB 3.89Å; L2589-A2604 VanDerWaalsContact CD2-O 3.28Å; L2589-A2604 WeakPolarHBondContact CD2-O 3.4Å; A2604-I2622 HydrophobicContact CB-CG2 4.32Å; A2604-H2625 VanDerWaalsContact CA-CE1 3.47Å; A2604-H2625 WeakPolarHBondContact CA-CE1 3.19Å; A2604-H2625 HydrophobicContact CB-CB 4.44Å; A2604-H2625 WeakPolarHBondContact CB-ND1 3.44Å; A2604-H2625 PolarHBondContact N-CE1 3.1Å; A2604-H2625 PolarHBondContact N-NE2 3.23Å; A2604-D2628 PolarHBondContact N-O 2.98Å; A2604-I2629 HydrophobicContact CB-CG2 4.33Å; A2604-I2629 VanDerWaalsContact CB-O 3.3Å; A2604-I2629 WeakPolarHBondContact CB-O 3.31Å; A2604-I2629 PolarHBondContact N-O 3.05Å
2605	I	96.6	Very high	88.5	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	113.6	174.8	-58	178.7	0	0	0	107.5	L2570 L2584 L2589 L2607 L2617 I2622 I2629 I2630 H2631	L2570-I2605 HydrophobicContact CB-CG1 4.43Å; L2570-I2605 HydrophobicContact CD2-CG2 4.35Å; L2570-I2605 CarbonylContact O-C 3.35Å; L2570-I2605 WeakPolarHBondContact O-CA 3.33Å; L2584-I2605 HydrophobicContact CD1-CG2 4.48Å; L2589-I2605 HydrophobicContact CD1-CD1 4.32Å; L2589-I2605 HydrophobicContact CD2-CD1 4.35Å; L2589-I2605 HydrophobicContact CD2-CG1 3.76Å; I2605-L2607 HydrophobicContact CG2-CD1 4.21Å; I2605-L2607 HydrophobicContact CG2-CD2 4.07Å; I2605-L2607 HydrophobicContact CG2-CG 3.91Å; I2605-L2617 HydrophobicContact CD1-CD1 4.12Å; I2605-L2617 HydrophobicContact CD1-CD2 3.81Å; I2605-I2622 HydrophobicContact CD1-CD1 3.92Å; I2605-I2629 PolarHBondContact N-O 3.03Å; I2605-I2630 HydrophobicContact CB-CG1 4.45Å; I2605-I2630 HydrophobicContact CD1-CG1 4.45Å; I2605-I2630 WeakPolarHBondContact O-CA 2.98Å; I2605-H2631 PolarHBondContact O-N 2.93Å
2606	E	95.7	Very high	89	Confident	38 Å²	38	22.9 Å²	22.9	18%	0.178	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.1	175.5	-172.8	-169.5	148.7	0	0	109.5	R2327 L2570 R2571 I2572 H2631	R2327-E2606 IonicContact CZ-OE2 3.01Å; R2327-E2606 VanDerWaalsContact CZ-OE2 3.28Å; R2327-E2606 IonicContact NH1-OE1 2.74Å; R2327-E2606 IonicContact NH1-OE2 3.53Å; R2327-E2606 PolarHBondContact NH1-OE2 3.04Å; R2327-E2606 IonicContact NH2-OE2 3.1Å; R2327-E2606 PolarHBondContact NH2-OE2 2.81Å; L2570-E2606 PolarHBondContact O-N 3.05Å; R2571-E2606 CarbonylContact C-O 3.51Å; R2571-E2606 VanDerWaalsContact CA-O 3.28Å; R2571-E2606 WeakPolarHBondContact CA-O 3.14Å; R2571-E2606 HydrophobicContact CG-CB 4.17Å; R2571-E2606 HydrophobicContact CG-CG 4.34Å; R2571-E2606 IonicContact CZ-OE1 3.68Å; R2571-E2606 IonicContact NE-OE1 3.36Å; R2571-E2606 PolarHBondContact NE-OE1 3.22Å; R2571-E2606 IonicContact NE-OE2 3.12Å; R2571-E2606 IonicContact NH2-OE1 3.33Å; R2571-E2606 PolarHBondContact NH2-OE1 3.49Å; I2572-E2606 PolarHBondContact N-O 3.23Å; E2606-H2631 CarbonylContact C-O 3.58Å; E2606-H2631 WeakPolarHBondContact CA-O 3.37Å
2607	L	96.2	Very high	89.7	Confident	2.66667 Å²	2.66667	22.6 Å²	22.6	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.9	-179.7	-56.3	175.5	0	0	0	109.7	I2572 I2605 L2609 L2615 H2631 M2632 V2633	I2572-L2607 HydrophobicContact CB-CD2 3.74Å; I2572-L2607 HydrophobicContact CD1-CD2 3.97Å; I2572-L2607 HydrophobicContact CG1-CD2 3.91Å; I2572-L2607 CarbonylContact O-C 3.36Å; I2572-L2607 WeakPolarHBondContact O-CA 3.44Å; I2605-L2607 HydrophobicContact CG2-CD1 4.21Å; I2605-L2607 HydrophobicContact CG2-CD2 4.07Å; I2605-L2607 HydrophobicContact CG2-CG 3.91Å; L2607-L2609 HydrophobicContact CB-CD1 4.5Å; L2607-L2609 HydrophobicContact CB-CG 4.42Å; L2607-L2615 HydrophobicContact CD1-CD1 3.78Å; L2607-L2615 HydrophobicContact CD1-CD2 3.6Å; L2607-L2615 HydrophobicContact CD1-CG 4.33Å; L2607-H2631 PolarHBondContact N-O 2.86Å; L2607-M2632 HydrophobicContact CB-CB 4.05Å; L2607-M2632 HydrophobicContact CD1-CB 4.47Å; L2607-M2632 CarbonylContact O-C 3.58Å; L2607-M2632 VanDerWaalsContact O-CA 3.28Å; L2607-M2632 WeakPolarHBondContact O-CA 3.34Å; L2607-V2633 PolarHBondContact O-N 3.13Å
2608	Y	94.1	Very high	90.5	Very high	44.6667 Å²	44.6667	23.1 Å²	23.1	18%	0.175	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	105.6	169.3	-176.5	-82.1	0	0	0	107.5	L2392 I2572 T2573 S2574 V2575 T2610 V2633 L2635	L2392-Y2608 HydrophobicContact CD2-CD1 3.95Å; L2392-Y2608 HydrophobicContact CD2-CE1 3.72Å; L2392-Y2608 HydrophobicContact CD2-CG 4.5Å; I2572-Y2608 PolarHBondContact O-N 2.96Å; T2573-Y2608 CarbonylContact C-O 3.54Å; T2573-Y2608 WeakPolarHBondContact CA-O 3.35Å; T2573-Y2608 HydrophobicContact CG2-CD1 4.11Å; T2573-Y2608 HydrophobicContact CG2-CG 4.47Å; S2574-Y2608 PolarHBondContact N-O 3.08Å; V2575-Y2608 HydrophobicContact CG2-CD1 4.42Å; V2575-Y2608 HydrophobicContact CG2-CE1 4.24Å; Y2608-T2610 HydrophobicContact CE1-CG2 3.84Å; Y2608-V2633 WeakPolarHBondContact CA-O 3.36Å; Y2608-V2633 HydrophobicContact CD2-CB 3.71Å; Y2608-V2633 HydrophobicContact CD2-CG1 3.8Å; Y2608-V2633 HydrophobicContact CD2-CG2 4.31Å; Y2608-V2633 HydrophobicContact CE2-CB 4.2Å; Y2608-V2633 HydrophobicContact CE2-CG1 3.74Å; Y2608-L2635 HydrophobicContact CE2-CD1 4.43Å
2609	L	93	Very high	91.3	Very high	1.33333 Å²	1.33333	19.8 Å²	19.8	1%	0.007	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.5	-169.5	-57	177.6	0	0	0	110.9	I2572 I2582 L2607 L2615 V2633 L2634 L2635 I2643	I2572-L2609 HydrophobicContact CG2-CD2 4.12Å; I2582-L2609 HydrophobicContact CD1-CD1 3.69Å; I2582-L2609 HydrophobicContact CD1-CD2 3.25Å; I2582-L2609 HydrophobicContact CD1-CG 4.12Å; L2607-L2609 HydrophobicContact CB-CD1 4.5Å; L2607-L2609 HydrophobicContact CB-CG 4.42Å; L2609-L2615 HydrophobicContact CD1-CB 4.46Å; L2609-L2615 HydrophobicContact CD1-CD1 4.36Å; L2609-L2615 HydrophobicContact CD1-CD2 4.19Å; L2609-V2633 PolarHBondContact N-O 3Å; L2609-L2634 HydrophobicContact CB-CD2 4.03Å; L2609-L2634 HydrophobicContact CD1-CD2 3.96Å; L2609-L2634 HydrophobicContact CG-CD2 4.29Å; L2609-L2635 PolarHBondContact O-N 3.02Å; L2609-I2643 HydrophobicContact CB-CD1 3.99Å; L2609-I2643 HydrophobicContact CD1-CD1 3.95Å
2610	T	88.6	Confident	92.1	Very high	0.333333 Å²	0.333333	17.7 Å²	17.7	0%	0.002	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.1	170.8	65.3	0	0	0	0	111.1	S2574 V2575 G2576 G2579 Y2608 S2612 L2635	S2574-T2610 PolarHBondContact O-N 2.94Å; S2574-T2610 VanDerWaalsContact O-N 3.16Å; S2574-T2610 PolarHBondContact O-OG1 3.28Å; S2574-T2610 VanDerWaalsContact O-OG1 3.1Å; V2575-T2610 WeakPolarHBondContact CA-OG1 3.45Å; G2576-T2610 PolarHBondContact N-OG1 2.87Å; G2576-T2610 VanDerWaalsContact N-OG1 3.17Å; G2576-T2610 PolarHBondContact O-OG1 3.14Å; G2579-T2610 WeakPolarHBondContact CA-O 3.3Å; G2579-T2610 PolarHBondContact N-O 3.39Å; Y2608-T2610 HydrophobicContact CE1-CG2 3.84Å; T2610-S2612 VanDerWaalsContact C-N 3.28Å; T2610-S2612 PolarHBondContact O-N 3.07Å; T2610-S2612 VanDerWaalsContact O-N 3.12Å; T2610-S2612 PolarHBondContact O-OG 3.09Å; T2610-L2635 CarbonylContact C-O 3.54Å; T2610-L2635 VanDerWaalsContact CA-O 3.27Å; T2610-L2635 WeakPolarHBondContact CA-O 3.41Å; T2610-L2635 HydrophobicContact CG2-CB 4.46Å
2611	N	86.5	Confident	92.7	Very high	3.66667 Å²	3.66667	16.3 Å²	16.3	2%	0.02	8%	0.081	C	C	.	.	S	Bend	trans	52.1	36.5	168.6	-54.4	-50.4	0	0	0	115.2	A2388 G2576 E2577 G2579 L2635 A2636 N2637 N2641	A2388-N2611 PolarHBondContact O-ND2 3.06Å; G2576-N2611 PolarHBondContact O-ND2 3.13Å; E2577-N2611 WeakPolarHBondContact O-CB 3.41Å; E2577-N2611 PolarHBondContact O-ND2 3.21Å; G2579-N2611 PolarHBondContact N-O 3.15Å; N2611-L2635 PolarHBondContact N-O 3.14Å; N2611-A2636 WeakPolarHBondContact OD1-CA 3.36Å; N2611-N2637 VanDerWaalsContact OD1-CG 3.31Å; N2611-N2637 PolarHBondContact OD1-N 3.11Å; N2611-N2637 PolarHBondContact OD1-OD1 3.01Å; N2611-N2637 VanDerWaalsContact OD1-OD1 3.06Å; N2611-N2641 CarbonylContact C-O 3.48Å; N2611-N2641 HydrophobicContact CB-CB 4.26Å
2612	S	88.6	Confident	93.2	Very high	1.33333 Å²	1.33333	16 Å²	16	1%	0.009	8%	0.077	C	C	.	.			trans	-94.1	156	176.2	-22.8	0	0	0	0	110.6	G2579 P2580 T2610 G2642 I2643	G2579-S2612 WeakPolarHBondContact CA-OG 3.32Å; P2580-S2612 VanDerWaalsContact O-CB 3.22Å; P2580-S2612 WeakPolarHBondContact O-CB 3.31Å; T2610-S2612 VanDerWaalsContact C-N 3.28Å; T2610-S2612 PolarHBondContact O-N 3.07Å; T2610-S2612 VanDerWaalsContact O-N 3.12Å; T2610-S2612 PolarHBondContact O-OG 3.09Å; S2612-G2642 CarbonylContact O-C 3.58Å; S2612-I2643 WeakPolarHBondContact O-CA 3.29Å; S2612-I2643 WeakPolarHBondContact O-CB 3.42Å; S2612-I2643 WeakPolarHBondContact O-CG1 3.23Å; S2612-I2643 PolarHBondContact O-N 2.96Å; S2612-I2643 WeakPolarHBondContact OG-CD1 3.48Å
2613	R	88.4	Confident	93.5	Very high	84 Å²	84	14.9 Å²	14.9	32%	0.317	7%	0.07	S	C	.	.	S	Bend	trans	-97.4	-40.5	-177.8	-67.6	168.9	164	166.6	-11.1	113.4	R2551 D2581 I2643 Q2644	R2551-R2613 VanDerWaalsContact CZ-NH2 3.25Å; R2551-R2613 VanDerWaalsContact NH2-NH2 3.18Å; R2551-R2613 PolarHBondContact O-NH1 3.31Å; D2581-R2613 WeakPolarHBondContact OD1-CB 3.43Å; D2581-R2613 PolarHBondContact OD1-N 2.64Å; R2613-I2643 WeakPolarHBondContact O-CA 3.37Å; R2613-Q2644 PolarHBondContact O-N 3.18Å
2614	S	91.4	Very high	93.5	Very high	31.6667 Å²	31.6667	19.2 Å²	19.2	22%	0.221	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.8	-176.5	-167.7	0	0	0	0	112.8	D2581 I2582	D2581-S2614 WeakPolarHBondContact CA-O 3.24Å; D2581-S2614 PolarHBondContact OD1-N 3.03Å; I2582-S2614 PolarHBondContact N-O 3.08Å
2615	L	94.8	Very high	93.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.6	167.6	166.8	65.2	0	0	0	107.9	I2582 L2607 L2609 M2632 L2634 I2643 Q2644 A2645 N2646	I2582-L2615 HydrophobicContact CB-CD1 4Å; I2582-L2615 HydrophobicContact CG2-CD1 3.77Å; I2582-L2615 CarbonylContact O-C 3.48Å; I2582-L2615 WeakPolarHBondContact O-CA 3.3Å; L2607-L2615 HydrophobicContact CD1-CD1 3.78Å; L2607-L2615 HydrophobicContact CD1-CD2 3.6Å; L2607-L2615 HydrophobicContact CD1-CG 4.33Å; L2609-L2615 HydrophobicContact CD1-CB 4.46Å; L2609-L2615 HydrophobicContact CD1-CD1 4.36Å; L2609-L2615 HydrophobicContact CD1-CD2 4.19Å; L2615-M2632 HydrophobicContact CD2-CE 4.34Å; L2615-M2632 HydrophobicContact CD2-SD 4.48Å; L2615-L2634 HydrophobicContact CD2-CD2 4.29Å; L2615-I2643 HydrophobicContact CB-CD1 3.52Å; L2615-I2643 VanDerWaalsContact CB-CD1 3.46Å; L2615-I2643 HydrophobicContact CB-CG1 4.17Å; L2615-I2643 HydrophobicContact CB-CG2 3.98Å; L2615-I2643 HydrophobicContact CD2-CD1 4.41Å; L2615-Q2644 PolarHBondContact N-O 3.08Å; L2615-Q2644 VanDerWaalsContact N-O 3.14Å; L2615-A2645 HydrophobicContact CB-CB 4.19Å; L2615-A2645 HydrophobicContact CD2-CB 4Å; L2615-A2645 HydrophobicContact CG-CB 4.37Å; L2615-A2645 CarbonylContact O-C 3.52Å; L2615-A2645 VanDerWaalsContact O-CA 3.31Å; L2615-A2645 WeakPolarHBondContact O-CA 3.39Å; L2615-N2646 PolarHBondContact O-N 3.23Å
2616	L	94.4	Very high	93.3	Very high	16.3333 Å²	16.3333	20.6 Å²	20.6	9%	0.086	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.7	174.2	-176.7	68.2	0	0	0	109.3	I2582 Y2583 L2584 Q2618 N2646	I2582-L2616 PolarHBondContact O-N 2.95Å; Y2583-L2616 HydrophobicContact CD1-CB 3.92Å; Y2583-L2616 HydrophobicContact CD1-CD2 3.63Å; Y2583-L2616 HydrophobicContact CD1-CG 4.38Å; Y2583-L2616 HydrophobicContact CE1-CB 4.3Å; Y2583-L2616 HydrophobicContact CE1-CD2 4Å; Y2583-L2616 HydrophobicContact CG-CB 4.46Å; L2584-L2616 WeakPolarHBondContact CB-O 3.3Å; L2584-L2616 PolarHBondContact N-O 2.94Å; L2616-Q2618 HydrophobicContact CD1-CB 4.35Å; L2616-Q2618 HydrophobicContact CD1-CG 4.45Å; L2616-Q2618 HydrophobicContact CD2-CG 4.13Å; L2616-Q2618 HydrophobicContact CG-CB 4.4Å; L2616-Q2618 HydrophobicContact CG-CG 4.13Å; L2616-N2646 WeakPolarHBondContact CA-O 3.39Å; L2616-N2646 HydrophobicContact CD1-CB 3.76Å
2617	L	95.1	Very high	93.1	Very high	1.66667 Å²	1.66667	18.8 Å²	18.8	1%	0.009	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	110.2	164.8	174.3	65.5	0	0	0	108.3	L2584 L2587 I2605 I2630 N2646 L2647 T2648 N2650	L2584-L2617 HydrophobicContact CB-CB 4.35Å; L2584-L2617 HydrophobicContact CB-CD1 3.56Å; L2584-L2617 HydrophobicContact CD1-CD1 4.13Å; L2584-L2617 HydrophobicContact CG-CD1 4.48Å; L2584-L2617 VanDerWaalsContact O-CA 3.31Å; L2584-L2617 WeakPolarHBondContact O-CA 3.34Å; L2587-L2617 HydrophobicContact CD1-CD1 4.34Å; I2605-L2617 HydrophobicContact CD1-CD1 4.12Å; I2605-L2617 HydrophobicContact CD1-CD2 3.81Å; L2617-I2630 HydrophobicContact CD2-CD1 3.66Å; L2617-I2630 HydrophobicContact CD2-CG1 4.18Å; L2617-N2646 PolarHBondContact N-O 2.97Å; L2617-L2647 HydrophobicContact CB-CD2 3.66Å; L2617-L2647 HydrophobicContact CD2-CD2 4.07Å; L2617-L2647 HydrophobicContact CG-CD2 4.36Å; L2617-L2647 CarbonylContact O-C 3.45Å; L2617-L2647 WeakPolarHBondContact O-CA 3.39Å; L2617-T2648 PolarHBondContact O-N 2.95Å; L2617-T2648 VanDerWaalsContact O-N 3.07Å; L2617-N2650 PolarHBondContact O-ND2 3.41Å
2618	Q	92.6	Very high	93	Very high	23.6667 Å²	23.6667	19.8 Å²	19.8	11%	0.111	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	157.7	-175.6	67.7	176.6	1	0	0	114.2	L2584 S2585 N2586 L2616 S2620 T2648 N2650 Y2956	L2584-Q2618 PolarHBondContact O-N 3.04Å; S2585-Q2618 WeakPolarHBondContact CA-O 3.35Å; N2586-Q2618 PolarHBondContact N-O 2.97Å; L2616-Q2618 HydrophobicContact CD1-CB 4.35Å; L2616-Q2618 HydrophobicContact CD1-CG 4.45Å; L2616-Q2618 HydrophobicContact CD2-CG 4.13Å; L2616-Q2618 HydrophobicContact CG-CB 4.4Å; L2616-Q2618 HydrophobicContact CG-CG 4.13Å; Q2618-S2620 PolarHBondContact O-N 3.17Å; Q2618-S2620 VanDerWaalsContact O-N 3.09Å; Q2618-S2620 PolarHBondContact O-OG 3.17Å; Q2618-T2648 CarbonylContact C-O 3.55Å; Q2618-T2648 WeakPolarHBondContact CA-O 3.42Å; Q2618-T2648 WeakPolarHBondContact CB-O 3.31Å; Q2618-T2648 WeakPolarHBondContact CB-OG1 3.38Å; Q2618-N2650 VanDerWaalsContact C-OD1 3.25Å; Q2618-N2650 WeakPolarHBondContact CA-OD1 3.27Å; Q2618-Y2956 PolarHBondContact NE2-OH 3.31Å
2619	N	93	Very high	93	Very high	20.6667 Å²	20.6667	17.7 Å²	17.7	11%	0.111	9%	0.086	C	C	.	.	S	Bend	trans	50.4	37.4	172.4	-68.3	-5.6	0	0	0	112.4	N2586 T2648 N2649 N2650 G2915 P2917	N2586-N2619 VanDerWaalsContact CA-O 3.28Å; N2586-N2619 WeakPolarHBondContact CA-O 3.21Å; N2586-N2619 PolarHBondContact N-O 3.34Å; N2586-N2619 WeakPolarHBondContact OD1-CB 3.38Å; N2619-T2648 PolarHBondContact N-O 3.13Å; N2619-T2648 VanDerWaalsContact N-O 3.12Å; N2619-N2649 WeakPolarHBondContact CA-O 3.37Å; N2619-N2649 VanDerWaalsContact OD1-CB 3.3Å; N2619-N2649 WeakPolarHBondContact OD1-CB 3.43Å; N2619-N2650 PolarHBondContact N-OD1 2.94Å; N2619-G2915 CarbonylContact C-O 3.58Å; N2619-G2915 VanDerWaalsContact CA-O 3.25Å; N2619-G2915 WeakPolarHBondContact CA-O 3.41Å; N2619-G2915 VanDerWaalsContact CB-O 3.25Å; N2619-G2915 WeakPolarHBondContact CB-O 3.28Å; N2619-P2917 VanDerWaalsContact O-CD 3.24Å; N2619-P2917 WeakPolarHBondContact O-CD 3.35Å
2620	S	96.1	Very high	93.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.			trans	-108.4	147.4	-175.7	-60.9	0	0	0	0	111.7	L2587 Q2618 N2650 V2651	L2587-S2620 PolarHBondContact N-OG 2.93Å; L2587-S2620 CarbonylContact O-C 3.46Å; L2587-S2620 VanDerWaalsContact O-CA 3.29Å; L2587-S2620 WeakPolarHBondContact O-CA 3.16Å; L2587-S2620 WeakPolarHBondContact O-CB 3.18Å; Q2618-S2620 PolarHBondContact O-N 3.17Å; Q2618-S2620 VanDerWaalsContact O-N 3.09Å; Q2618-S2620 PolarHBondContact O-OG 3.17Å; S2620-N2650 VanDerWaalsContact CB-OD1 3.32Å; S2620-N2650 WeakPolarHBondContact CB-OD1 3.41Å; S2620-N2650 PolarHBondContact N-OD1 2.94Å; S2620-N2650 VanDerWaalsContact N-OD1 3.08Å; S2620-N2650 WeakPolarHBondContact O-CA 3.26Å; S2620-V2651 PolarHBondContact O-N 3.36Å
2621	Y	96.7	Very high	93.6	Very high	27 Å²	27	19.7 Å²	19.7	11%	0.106	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.5	178.2	-178.9	-121.4	0	0	0	109.8	L2587 R2588 L2589 E2590 A2623 V2651 V2653 A2916 M2918 F2926	L2587-Y2621 PolarHBondContact O-N 3.04Å; R2588-Y2621 CarbonylContact C-O 3.49Å; R2588-Y2621 WeakPolarHBondContact CA-O 3.32Å; L2589-Y2621 PolarHBondContact N-O 3Å; E2590-Y2621 HydrophobicContact CG-CD1 4.14Å; E2590-Y2621 HydrophobicContact CG-CE1 3.93Å; E2590-Y2621 WeakPolarHBondContact OE1-CD1 3.36Å; E2590-Y2621 WeakPolarHBondContact OE1-CE1 3.35Å; Y2621-A2623 HydrophobicContact CD1-CB 4.49Å; Y2621-A2623 HydrophobicContact CE1-CB 3.78Å; Y2621-A2623 HydrophobicContact CE2-CB 3.91Å; Y2621-A2623 VanDerWaalsContact CZ-CB 3.42Å; Y2621-A2623 VanDerWaalsContact OH-CB 3.31Å; Y2621-A2623 WeakPolarHBondContact OH-CB 3.27Å; Y2621-V2651 HydrophobicContact CD2-CB 4.11Å; Y2621-V2651 HydrophobicContact CD2-CG1 3.94Å; Y2621-V2651 HydrophobicContact CE2-CG1 4.15Å; Y2621-V2653 HydrophobicContact CE2-CG2 3.81Å; Y2621-A2916 HydrophobicContact CD2-CB 4.11Å; Y2621-A2916 HydrophobicContact CG-CB 4.28Å; Y2621-M2918 HydrophobicContact CD1-CE 4.03Å; Y2621-M2918 HydrophobicContact CD2-CE 3.49Å; Y2621-M2918 VanDerWaalsContact CD2-CE 3.46Å; Y2621-M2918 HydrophobicContact CE1-CE 3.85Å; Y2621-M2918 HydrophobicContact CE2-CE 3.3Å; Y2621-M2918 HydrophobicContact CG-CE 3.85Å; Y2621-M2918 VanDerWaalsContact CZ-CE 3.47Å; Y2621-F2926 HydrophobicContact CE2-CE2 4.14Å
2622	I	96.7	Very high	94	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	111.6	178.9	-48.2	175.9	0	0	0	109.1	L2589 A2604 I2605 H2625 I2629 I2630 V2651 I2652 V2653 N2655	L2589-I2622 HydrophobicContact CB-CB 4.48Å; L2589-I2622 HydrophobicContact CB-CG1 4.28Å; L2589-I2622 HydrophobicContact CB-CG2 4.04Å; L2589-I2622 HydrophobicContact CD1-CG1 4.23Å; L2589-I2622 WeakPolarHBondContact O-CA 3.4Å; A2604-I2622 HydrophobicContact CB-CG2 4.32Å; I2605-I2622 HydrophobicContact CD1-CD1 3.92Å; I2622-H2625 HydrophobicContact CG2-CB 4.34Å; I2622-I2629 HydrophobicContact CB-CG2 4.15Å; I2622-I2629 HydrophobicContact CD1-CG2 3.69Å; I2622-I2629 HydrophobicContact CG2-CG2 3.61Å; I2622-I2630 HydrophobicContact CD1-CD1 4.45Å; I2622-I2630 HydrophobicContact CD1-CG1 4.4Å; I2622-V2651 PolarHBondContact N-O 3.24Å; I2622-I2652 WeakPolarHBondContact O-CA 3.39Å; I2622-V2653 PolarHBondContact O-N 2.98Å; I2622-N2655 PolarHBondContact O-ND2 3.13Å; I2622-N2655 VanDerWaalsContact O-ND2 3.17Å
2623	A	95.3	Very high	94.3	Very high	3.66667 Å²	3.66667	20.9 Å²	20.9	3%	0.03	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146	-173.1	0	0	0	0	0	114	L2589 E2590 E2591 Y2621 H2625 V2653 N2655	L2589-A2623 PolarHBondContact O-N 3.03Å; E2590-A2623 VanDerWaalsContact CA-O 3.31Å; E2590-A2623 WeakPolarHBondContact CA-O 3.36Å; E2590-A2623 HydrophobicContact CG-CB 4.45Å; E2591-A2623 PolarHBondContact N-O 2.97Å; E2591-A2623 VanDerWaalsContact N-O 3.14Å; Y2621-A2623 HydrophobicContact CD1-CB 4.49Å; Y2621-A2623 HydrophobicContact CE1-CB 3.78Å; Y2621-A2623 HydrophobicContact CE2-CB 3.91Å; Y2621-A2623 VanDerWaalsContact CZ-CB 3.42Å; Y2621-A2623 VanDerWaalsContact OH-CB 3.31Å; Y2621-A2623 WeakPolarHBondContact OH-CB 3.27Å; A2623-H2625 PolarHBondContact O-N 3.03Å; A2623-V2653 VanDerWaalsContact CA-O 3.24Å; A2623-V2653 WeakPolarHBondContact CA-O 3.42Å; A2623-V2653 HydrophobicContact CB-CG2 3.86Å; A2623-N2655 VanDerWaalsContact C-OD1 3.31Å; A2623-N2655 WeakPolarHBondContact CA-OD1 3.39Å
2624	K	94.7	Very high	94.5	Very high	103.333 Å²	103.333	16.9 Å²	16.9	45%	0.449	9%	0.088	S	C	.	.	S	Bend	trans	52.9	22.7	178.1	-54.7	170.4	177.7	170	0	114.1	E2591 V2653 R2654 N2655	E2591-K2624 HydrophobicContact CG-CB 3.76Å; E2591-K2624 HydrophobicContact CG-CD 3.66Å; E2591-K2624 HydrophobicContact CG-CG 4.43Å; E2591-K2624 WeakPolarHBondContact OE1-CD 3.27Å; E2591-K2624 WeakPolarHBondContact OE1-CE 3.45Å; E2591-K2624 IonicContact OE1-NZ 3.28Å; E2591-K2624 PolarHBondContact OE1-NZ 3.04Å; K2624-V2653 PolarHBondContact N-O 3.15Å; K2624-R2654 WeakPolarHBondContact CA-O 3.41Å; K2624-R2654 HydrophobicContact CG-CB 4.4Å; K2624-N2655 PolarHBondContact N-OD1 3.12Å
2625	H	94.9	Very high	94.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.			trans	-68.4	143.7	173.2	-176.5	76.4	0	0	0	109.7	N2592 P2602 A2604 I2622 A2623 G2627 D2628 N2655 K2656	N2592-H2625 WeakPolarHBondContact CB-ND1 3.43Å; N2592-H2625 WeakPolarHBondContact O-CA 3.18Å; N2592-H2625 PolarHBondContact O-CE1 2.86Å; N2592-H2625 PolarHBondContact O-ND1 3.17Å; N2592-H2625 VanDerWaalsContact O-ND1 3.09Å; P2602-H2625 PolarHBondContact O-CE1 3.26Å; P2602-H2625 VanDerWaalsContact O-CE1 3.31Å; P2602-H2625 PolarHBondContact O-NE2 3.07Å; A2604-H2625 VanDerWaalsContact CA-CE1 3.47Å; A2604-H2625 WeakPolarHBondContact CA-CE1 3.19Å; A2604-H2625 HydrophobicContact CB-CB 4.44Å; A2604-H2625 WeakPolarHBondContact CB-ND1 3.44Å; A2604-H2625 PolarHBondContact N-CE1 3.1Å; A2604-H2625 PolarHBondContact N-NE2 3.23Å; I2622-H2625 HydrophobicContact CG2-CB 4.34Å; A2623-H2625 PolarHBondContact O-N 3.03Å; H2625-G2627 PolarHBondContact CD2-O 3.21Å; H2625-D2628 PolarHBondContact CD2-O 3.22Å; H2625-D2628 VanDerWaalsContact CD2-O 3.24Å; H2625-D2628 PolarHBondContact NE2-O 2.99Å; H2625-D2628 VanDerWaalsContact NE2-O 3.08Å; H2625-N2655 WeakPolarHBondContact CA-OD1 3.38Å; H2625-N2655 VanDerWaalsContact CB-OD1 3.22Å; H2625-N2655 WeakPolarHBondContact CB-OD1 3.37Å; H2625-N2655 PolarHBondContact N-OD1 3.14Å; H2625-N2655 WeakPolarHBondContact O-CA 3.28Å; H2625-N2655 WeakPolarHBondContact O-CB 3.4Å; H2625-K2656 PolarHBondContact O-N 3.24Å
2626	S	92.1	Very high	94	Very high	29.3333 Å²	29.3333	16.3 Å²	16.3	21%	0.205	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-115.4	105.5	-180	-64.2	0	0	0	0	110.6	N2592 G2593 V2595 G2601 K2656	N2592-S2626 PolarHBondContact O-N 3Å; G2593-S2626 WeakPolarHBondContact CA-O 3.49Å; G2593-S2626 WeakPolarHBondContact O-CB 3.3Å; V2595-S2626 VanDerWaalsContact CG2-CB 3.47Å; G2601-S2626 WeakPolarHBondContact CA-O 3.29Å; S2626-K2656 WeakPolarHBondContact CA-O 3.43Å
2627	G	91.5	Very high	93.4	Very high	0.333333 Å²	0.333333	17.1 Å²	17.1	0%	0.003	9%	0.086	C	C	.	.	S	Bend	trans	122.4	-170.3	-169	0	0	0	0	0	111.9	G2601 H2625 K2656 G2658	G2601-G2627 WeakPolarHBondContact O-CA 3.36Å; H2625-G2627 PolarHBondContact CD2-O 3.21Å; G2627-K2656 PolarHBondContact N-O 3.07Å; G2627-G2658 WeakPolarHBondContact O-CA 3.44Å
2628	D	93.9	Very high	92.7	Very high	23 Å²	23	21.1 Å²	21.1	12%	0.123	11%	0.105	C	C	.	.			trans	-66.3	147.5	178	-58	-50	0	0	0	110.5	T2600 S2603 A2604 H2625 G2658 S2659	T2600-D2628 WeakPolarHBondContact CG2-OD1 3.23Å; T2600-D2628 WeakPolarHBondContact CG2-OD2 3.37Å; S2603-D2628 CarbonylContact C-O 3.56Å; S2603-D2628 WeakPolarHBondContact CA-O 3.36Å; A2604-D2628 PolarHBondContact N-O 2.98Å; H2625-D2628 PolarHBondContact CD2-O 3.22Å; H2625-D2628 VanDerWaalsContact CD2-O 3.24Å; H2625-D2628 PolarHBondContact NE2-O 2.99Å; H2625-D2628 VanDerWaalsContact NE2-O 3.08Å; D2628-G2658 VanDerWaalsContact OD1-CA 3.26Å; D2628-G2658 WeakPolarHBondContact OD1-CA 3.35Å; D2628-S2659 CarbonylContact C-O 3.48Å; D2628-S2659 WeakPolarHBondContact CA-O 3.35Å; D2628-S2659 VanDerWaalsContact OD1-CB 3.28Å; D2628-S2659 WeakPolarHBondContact OD1-CB 3.44Å; D2628-S2659 PolarHBondContact OD1-N 3.24Å; D2628-S2659 PolarHBondContact OD1-OG 3.09Å
2629	I	95.7	Very high	92.1	Very high	0.666667 Å²	0.666667	25.4 Å²	25.4	0%	0.003	13%	0.128	C	C	.	.	S	Bend	trans	-94.4	-66.1	-174.6	-56.3	174.8	0	0	0	109.3	A2604 I2605 I2622 I2652 N2655 S2659 V2660	A2604-I2629 HydrophobicContact CB-CG2 4.33Å; A2604-I2629 VanDerWaalsContact CB-O 3.3Å; A2604-I2629 WeakPolarHBondContact CB-O 3.31Å; A2604-I2629 PolarHBondContact N-O 3.05Å; I2605-I2629 PolarHBondContact N-O 3.03Å; I2622-I2629 HydrophobicContact CB-CG2 4.15Å; I2622-I2629 HydrophobicContact CD1-CG2 3.69Å; I2622-I2629 HydrophobicContact CG2-CG2 3.61Å; I2629-I2652 HydrophobicContact CD1-CG2 3.27Å; I2629-I2652 HydrophobicContact CG1-CG2 4.49Å; I2629-I2652 HydrophobicContact CG2-CD1 4.38Å; I2629-I2652 HydrophobicContact CG2-CG2 4.19Å; I2629-N2655 HydrophobicContact CD1-CB 3.45Å; I2629-N2655 VanDerWaalsContact CD1-CB 3.42Å; I2629-N2655 VanDerWaalsContact CD1-CG 3.46Å; I2629-N2655 VanDerWaalsContact CD1-ND2 3.3Å; I2629-N2655 WeakPolarHBondContact CD1-ND2 3.17Å; I2629-N2655 HydrophobicContact CG1-CB 4.07Å; I2629-S2659 PolarHBondContact N-O 3.04Å; I2629-V2660 WeakPolarHBondContact CB-O 3.31Å; I2629-V2660 HydrophobicContact CD1-CB 4.26Å; I2629-V2660 HydrophobicContact CD1-CG1 4.43Å; I2629-V2660 HydrophobicContact CD1-CG2 3.86Å
2630	I	96.8	Very high	91.5	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	106.3	176	-56.7	164.3	0	0	0	108.2	I2605 L2617 I2622 M2632 I2652 V2660 L2661 Q2662	I2605-I2630 HydrophobicContact CB-CG1 4.45Å; I2605-I2630 HydrophobicContact CD1-CG1 4.45Å; I2605-I2630 WeakPolarHBondContact O-CA 2.98Å; L2617-I2630 HydrophobicContact CD2-CD1 3.66Å; L2617-I2630 HydrophobicContact CD2-CG1 4.18Å; I2622-I2630 HydrophobicContact CD1-CD1 4.45Å; I2622-I2630 HydrophobicContact CD1-CG1 4.4Å; I2630-M2632 HydrophobicContact CG2-CE 3.36Å; I2630-M2632 VanDerWaalsContact CG2-CE 3.44Å; I2630-I2652 HydrophobicContact CD1-CD1 4.08Å; I2630-V2660 PolarHBondContact N-O 3.03Å; I2630-V2660 VanDerWaalsContact N-O 3.1Å; I2630-L2661 HydrophobicContact CB-CD1 4.08Å; I2630-L2661 HydrophobicContact CG2-CD1 3.9Å; I2630-L2661 CarbonylContact O-C 3.55Å; I2630-L2661 WeakPolarHBondContact O-CA 3.41Å; I2630-Q2662 PolarHBondContact O-N 3.34Å
2631	H	96.2	Very high	90.8	Very high	40.3333 Å²	40.3333	29 Å²	29	19%	0.187	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.5	169.9	-177.4	-138.9	0	0	0	108.9	I2605 E2606 L2607 Q2662 H2664	I2605-H2631 PolarHBondContact O-N 2.93Å; E2606-H2631 CarbonylContact C-O 3.58Å; E2606-H2631 WeakPolarHBondContact CA-O 3.37Å; L2607-H2631 PolarHBondContact N-O 2.86Å; H2631-Q2662 CarbonylContact C-O 3.48Å; H2631-Q2662 WeakPolarHBondContact CA-O 3.23Å; H2631-Q2662 PolarHBondContact CD2-NE2 2.84Å; H2631-Q2662 PolarHBondContact CD2-O 3.41Å; H2631-Q2662 PolarHBondContact CD2-OE1 2.78Å; H2631-Q2662 PolarHBondContact NE2-NE2 2.97Å; H2631-Q2662 VanDerWaalsContact NE2-NE2 3.13Å; H2631-H2664 AromaticContact NE2-CD2 3.85Å
2632	M	95.7	Very high	90.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.1	178.9	65.5	-177.9	68	0	0	112	L2607 L2615 I2630 L2634 L2647 L2661 Q2662 A2663 H2664 I2671	L2607-M2632 HydrophobicContact CB-CB 4.05Å; L2607-M2632 HydrophobicContact CD1-CB 4.47Å; L2607-M2632 CarbonylContact O-C 3.58Å; L2607-M2632 VanDerWaalsContact O-CA 3.28Å; L2607-M2632 WeakPolarHBondContact O-CA 3.34Å; L2615-M2632 HydrophobicContact CD2-CE 4.34Å; L2615-M2632 HydrophobicContact CD2-SD 4.48Å; I2630-M2632 HydrophobicContact CG2-CE 3.36Å; I2630-M2632 VanDerWaalsContact CG2-CE 3.44Å; M2632-L2634 HydrophobicContact CB-CD2 4.34Å; M2632-L2634 HydrophobicContact CB-CG 4.38Å; M2632-L2634 HydrophobicContact CG-CD1 4.32Å; M2632-L2634 HydrophobicContact CG-CG 4.34Å; M2632-L2634 HydrophobicContact SD-CD1 3.85Å; M2632-L2634 HydrophobicContact SD-CG 4.4Å; M2632-L2647 HydrophobicContact CE-CD1 3.92Å; M2632-L2647 HydrophobicContact CE-CD2 4.09Å; M2632-L2647 HydrophobicContact CE-CG 4.41Å; M2632-L2661 HydrophobicContact CE-CD1 3.69Å; M2632-L2661 HydrophobicContact SD-CD1 4.39Å; M2632-Q2662 PolarHBondContact N-O 3.02Å; M2632-A2663 HydrophobicContact CG-CB 3.53Å; M2632-A2663 WeakPolarHBondContact O-CA 3.22Å; M2632-A2663 HydrophobicContact SD-CB 3.79Å; M2632-H2664 PolarHBondContact O-N 2.92Å; M2632-I2671 HydrophobicContact CE-CD1 4.4Å; M2632-I2671 HydrophobicContact SD-CD1 3.75Å
2633	V	93.8	Very high	90.1	Very high	30 Å²	30	28.6 Å²	28.6	18%	0.182	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.5	171.4	-178.3	0	0	0	0	107.2	L2607 Y2608 L2609 L2635 H2664	L2607-V2633 PolarHBondContact O-N 3.13Å; Y2608-V2633 WeakPolarHBondContact CA-O 3.36Å; Y2608-V2633 HydrophobicContact CD2-CB 3.71Å; Y2608-V2633 HydrophobicContact CD2-CG1 3.8Å; Y2608-V2633 HydrophobicContact CD2-CG2 4.31Å; Y2608-V2633 HydrophobicContact CE2-CB 4.2Å; Y2608-V2633 HydrophobicContact CE2-CG1 3.74Å; L2609-V2633 PolarHBondContact N-O 3Å; V2633-L2635 HydrophobicContact CG1-CD1 4.26Å; V2633-L2635 HydrophobicContact CG1-CG 4.17Å; V2633-H2664 CarbonylContact C-O 3.35Å; V2633-H2664 WeakPolarHBondContact CA-O 3.27Å
2634	L	93.4	Very high	89.9	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.6	-172.5	-55	179.8	0	0	0	108.8	L2609 L2615 M2632 I2643 A2645 H2664 G2665 N2669 L2694	L2609-L2634 HydrophobicContact CB-CD2 4.03Å; L2609-L2634 HydrophobicContact CD1-CD2 3.96Å; L2609-L2634 HydrophobicContact CG-CD2 4.29Å; L2615-L2634 HydrophobicContact CD2-CD2 4.29Å; M2632-L2634 HydrophobicContact CB-CD2 4.34Å; M2632-L2634 HydrophobicContact CB-CG 4.38Å; M2632-L2634 HydrophobicContact CG-CD1 4.32Å; M2632-L2634 HydrophobicContact CG-CG 4.34Å; M2632-L2634 HydrophobicContact SD-CD1 3.85Å; M2632-L2634 HydrophobicContact SD-CG 4.4Å; L2634-I2643 HydrophobicContact CB-CD1 4.07Å; L2634-I2643 HydrophobicContact CB-CG2 3.91Å; L2634-I2643 HydrophobicContact CD1-CG2 3.9Å; L2634-I2643 HydrophobicContact CD2-CD1 3.92Å; L2634-I2643 HydrophobicContact CD2-CG2 4.18Å; L2634-I2643 HydrophobicContact CG-CD1 4.42Å; L2634-I2643 HydrophobicContact CG-CG2 4.15Å; L2634-A2645 HydrophobicContact CD1-CB 4Å; L2634-H2664 PolarHBondContact N-O 3.08Å; L2634-G2665 WeakPolarHBondContact O-CA 3.36Å; L2634-N2669 HydrophobicContact CB-CB 4.38Å; L2634-N2669 PolarHBondContact O-ND2 2.83Å; L2634-L2694 HydrophobicContact CB-CD2 4.11Å; L2634-L2694 HydrophobicContact CD1-CD1 4.11Å; L2634-L2694 HydrophobicContact CD1-CD2 4.13Å; L2634-L2694 HydrophobicContact CG-CD2 4.39Å
2635	L	89.8	Confident	90	Very high	17.6667 Å²	17.6667	28.1 Å²	28.1	9%	0.092	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.9	-176.3	-61.1	172.8	0	0	0	110.1	F2387 A2388 Y2608 L2609 T2610 N2611 V2633 N2669	F2387-L2635 HydrophobicContact CB-CD1 4.27Å; F2387-L2635 HydrophobicContact CB-CD2 4.5Å; A2388-L2635 HydrophobicContact CB-CB 4.05Å; Y2608-L2635 HydrophobicContact CE2-CD1 4.43Å; L2609-L2635 PolarHBondContact O-N 3.02Å; T2610-L2635 CarbonylContact C-O 3.54Å; T2610-L2635 VanDerWaalsContact CA-O 3.27Å; T2610-L2635 WeakPolarHBondContact CA-O 3.41Å; T2610-L2635 HydrophobicContact CG2-CB 4.46Å; N2611-L2635 PolarHBondContact N-O 3.14Å; V2633-L2635 HydrophobicContact CG1-CD1 4.26Å; V2633-L2635 HydrophobicContact CG1-CG 4.17Å; L2635-N2669 WeakPolarHBondContact CA-ND2 3.4Å; L2635-N2669 PolarHBondContact N-ND2 3.34Å
2636	A	86.6	Confident	89.9	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.			trans	-132.7	149.5	173.1	0	0	0	0	0	110.7	A2388 N2611 N2641 N2666 F2668 N2669	A2388-A2636 VanDerWaalsContact CB-C 3.41Å; A2388-A2636 WeakPolarHBondContact CB-O 3.44Å; N2611-A2636 WeakPolarHBondContact OD1-CA 3.36Å; A2636-N2641 WeakPolarHBondContact CB-O 3.37Å; A2636-N2666 PolarHBondContact N-OD1 2.99Å; A2636-N2666 PolarHBondContact O-ND2 3.14Å; A2636-F2668 HydrophobicContact CB-CB 4Å; A2636-F2668 VanDerWaalsContact O-CD2 3.31Å; A2636-F2668 WeakPolarHBondContact O-CD2 3.46Å; A2636-N2669 VanDerWaalsContact CB-OD1 3.31Å; A2636-N2669 WeakPolarHBondContact CB-OD1 3.39Å; A2636-N2669 PolarHBondContact N-ND2 3.01Å
2637	N	80.1	Confident	90.1	Very high	33 Å²	33	27.7 Å²	27.7	18%	0.176	15%	0.148	C	C	.	.	S	Bend	trans	-87.9	-20.9	177	59.6	-3.5	0	0	0	113.6	A2388 N2611 N2641	A2388-N2637 HydrophobicContact CB-CB 4.15Å; N2611-N2637 VanDerWaalsContact OD1-CG 3.31Å; N2611-N2637 PolarHBondContact OD1-N 3.11Å; N2611-N2637 PolarHBondContact OD1-OD1 3.01Å; N2611-N2637 VanDerWaalsContact OD1-OD1 3.06Å; N2637-N2641 PolarHBondContact OD1-ND2 3.14Å; N2637-N2641 VanDerWaalsContact OD1-ND2 3.16Å
2638	Q	81	Confident	90.1	Very high	86.6667 Å²	86.6667	27.8 Å²	27.8	41%	0.405	15%	0.149	S	C	.	.	S	Bend	trans	-152.9	157.1	-179.5	63	-175.8	-28.5	0	0	111	T2640 N2641 G2642	Q2638-T2640 VanDerWaalsContact C-N 3.25Å; Q2638-T2640 VanDerWaalsContact CG-OG1 3.28Å; Q2638-T2640 WeakPolarHBondContact CG-OG1 3.41Å; Q2638-T2640 PolarHBondContact NE2-OG1 2.95Å; Q2638-T2640 PolarHBondContact O-N 3.09Å; Q2638-T2640 VanDerWaalsContact O-N 3.15Å; Q2638-T2640 PolarHBondContact OE1-OG1 3.23Å; Q2638-N2641 HydrophobicContact CG-CB 3.97Å; Q2638-N2641 PolarHBondContact NE2-ND2 2.93Å; Q2638-N2641 CarbonylContact O-C 3.48Å; Q2638-N2641 PolarHBondContact O-N 3.22Å; Q2638-N2641 VanDerWaalsContact O-N 3.11Å; Q2638-G2642 PolarHBondContact O-N 2.76Å
2639	L	80.9	Confident	90.1	Very high	113.667 Å²	113.667	27 Å²	27	60%	0.595	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-52.7	-37.4	177.6	-74.2	164.9	0	0	0	113.7	N2641 G2642 F2668	L2639-N2641 VanDerWaalsContact C-N 3.28Å; L2639-N2641 PolarHBondContact O-N 3.13Å; L2639-G2642 PolarHBondContact O-N 3.06Å; L2639-G2642 VanDerWaalsContact O-N 3.1Å; L2639-F2668 HydrophobicContact CB-CD1 4.35Å; L2639-F2668 HydrophobicContact CD2-CB 4.49Å; L2639-F2668 HydrophobicContact CD2-CD1 3.68Å; L2639-F2668 HydrophobicContact CD2-CE1 4.46Å; L2639-F2668 HydrophobicContact CG-CD1 3.56Å; L2639-F2668 HydrophobicContact CG-CE1 3.98Å
2640	T	80.6	Confident	90.1	Very high	92.3333 Å²	92.3333	27.1 Å²	27.1	57%	0.566	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-73.3	-17	-176.7	57.7	0	0	0	0	114	Q2638	Q2638-T2640 VanDerWaalsContact C-N 3.25Å; Q2638-T2640 VanDerWaalsContact CG-OG1 3.28Å; Q2638-T2640 WeakPolarHBondContact CG-OG1 3.41Å; Q2638-T2640 PolarHBondContact NE2-OG1 2.95Å; Q2638-T2640 PolarHBondContact O-N 3.09Å; Q2638-T2640 VanDerWaalsContact O-N 3.15Å; Q2638-T2640 PolarHBondContact OE1-OG1 3.23Å
2641	N	80.9	Confident	90.1	Very high	3.33333 Å²	3.33333	27 Å²	27	2%	0.018	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-108.5	13.7	172.6	-69	-15	0	0	0	111.1	N2611 A2636 N2637 Q2638 L2639	N2611-N2641 CarbonylContact C-O 3.48Å; N2611-N2641 HydrophobicContact CB-CB 4.26Å; A2636-N2641 WeakPolarHBondContact CB-O 3.37Å; N2637-N2641 PolarHBondContact OD1-ND2 3.14Å; N2637-N2641 VanDerWaalsContact OD1-ND2 3.16Å; Q2638-N2641 HydrophobicContact CG-CB 3.97Å; Q2638-N2641 PolarHBondContact NE2-ND2 2.93Å; Q2638-N2641 CarbonylContact O-C 3.48Å; Q2638-N2641 PolarHBondContact O-N 3.22Å; Q2638-N2641 VanDerWaalsContact O-N 3.11Å; L2639-N2641 VanDerWaalsContact C-N 3.28Å; L2639-N2641 PolarHBondContact O-N 3.13Å
2642	G	86.1	Confident	90.1	Very high	15 Å²	15	25.3 Å²	25.3	16%	0.155	14%	0.137	C	C	.	.			trans	-69.9	138.7	176.4	0	0	0	0	0	111.5	S2612 Q2638 L2639 F2668 N2669	S2612-G2642 CarbonylContact O-C 3.58Å; Q2638-G2642 PolarHBondContact O-N 2.76Å; L2639-G2642 PolarHBondContact O-N 3.06Å; L2639-G2642 VanDerWaalsContact O-N 3.1Å; G2642-F2668 VanDerWaalsContact CA-O 3.32Å; G2642-F2668 WeakPolarHBondContact CA-O 3.47Å; G2642-N2669 VanDerWaalsContact CA-OD1 3.28Å; G2642-N2669 WeakPolarHBondContact CA-OD1 3.41Å
2643	I	91.6	Very high	90.1	Very high	3.33333 Å²	3.33333	25.3 Å²	25.3	2%	0.017	14%	0.137	C	C	.	.			trans	-81.3	131	177.7	-128.3	176	0	0	0	109.7	L2609 S2612 R2613 L2615 L2634 A2645 N2669 A2670	L2609-I2643 HydrophobicContact CB-CD1 3.99Å; L2609-I2643 HydrophobicContact CD1-CD1 3.95Å; S2612-I2643 WeakPolarHBondContact O-CA 3.29Å; S2612-I2643 WeakPolarHBondContact O-CB 3.42Å; S2612-I2643 WeakPolarHBondContact O-CG1 3.23Å; S2612-I2643 PolarHBondContact O-N 2.96Å; S2612-I2643 WeakPolarHBondContact OG-CD1 3.48Å; R2613-I2643 WeakPolarHBondContact O-CA 3.37Å; L2615-I2643 HydrophobicContact CB-CD1 3.52Å; L2615-I2643 VanDerWaalsContact CB-CD1 3.46Å; L2615-I2643 HydrophobicContact CB-CG1 4.17Å; L2615-I2643 HydrophobicContact CB-CG2 3.98Å; L2615-I2643 HydrophobicContact CD2-CD1 4.41Å; L2634-I2643 HydrophobicContact CB-CD1 4.07Å; L2634-I2643 HydrophobicContact CB-CG2 3.91Å; L2634-I2643 HydrophobicContact CD1-CG2 3.9Å; L2634-I2643 HydrophobicContact CD2-CD1 3.92Å; L2634-I2643 HydrophobicContact CD2-CG2 4.18Å; L2634-I2643 HydrophobicContact CG-CD1 4.42Å; L2634-I2643 HydrophobicContact CG-CG2 4.15Å; I2643-A2645 HydrophobicContact CG2-CB 4.25Å; I2643-N2669 HydrophobicContact CG2-CB 3.86Å; I2643-N2669 PolarHBondContact N-OD1 2.99Å; I2643-A2670 PolarHBondContact O-N 2.96Å; I2643-A2670 VanDerWaalsContact O-O 3.07Å
2644	Q	92.5	Very high	90.2	Very high	97.3333 Å²	97.3333	28.7 Å²	28.7	46%	0.455	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	98.6	161.5	-172.3	144.8	9.5	0	0	108.3	R2613 L2615	R2613-Q2644 PolarHBondContact O-N 3.18Å; L2615-Q2644 PolarHBondContact N-O 3.08Å; L2615-Q2644 VanDerWaalsContact N-O 3.14Å
2645	A	95	Very high	90.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.8	176.1	0	0	0	0	0	110.5	L2615 L2634 I2643 A2670 I2671 Q2672	L2615-A2645 HydrophobicContact CB-CB 4.19Å; L2615-A2645 HydrophobicContact CD2-CB 4Å; L2615-A2645 HydrophobicContact CG-CB 4.37Å; L2615-A2645 CarbonylContact O-C 3.52Å; L2615-A2645 VanDerWaalsContact O-CA 3.31Å; L2615-A2645 WeakPolarHBondContact O-CA 3.39Å; L2634-A2645 HydrophobicContact CD1-CB 4Å; I2643-A2645 HydrophobicContact CG2-CB 4.25Å; A2645-A2670 PolarHBondContact N-O 3.1Å; A2645-I2671 HydrophobicContact CB-CB 4.35Å; A2645-I2671 HydrophobicContact CB-CG1 4.05Å; A2645-I2671 CarbonylContact O-C 3.48Å; A2645-I2671 WeakPolarHBondContact O-CA 3.17Å; A2645-Q2672 PolarHBondContact O-N 3.4Å
2646	N	94.1	Very high	90.4	Very high	16.3333 Å²	16.3333	34.1 Å²	34.1	9%	0.087	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	112.9	-178.9	-176.4	-12.1	0	0	0	110.1	L2615 L2616 L2617 T2648 Q2672 N2955	L2615-N2646 PolarHBondContact O-N 3.23Å; L2616-N2646 WeakPolarHBondContact CA-O 3.39Å; L2616-N2646 HydrophobicContact CD1-CB 3.76Å; L2617-N2646 PolarHBondContact N-O 2.97Å; N2646-T2648 WeakPolarHBondContact OD1-CB 2.98Å; N2646-T2648 WeakPolarHBondContact OD1-CG2 2.99Å; N2646-T2648 PolarHBondContact OD1-OG1 3.04Å; N2646-Q2672 CarbonylContact C-O 3.57Å; N2646-Q2672 WeakPolarHBondContact CA-O 3.37Å; N2646-Q2672 HydrophobicContact CB-CB 4.4Å; N2646-Q2672 PolarHBondContact ND2-OE1 3.02Å; N2646-N2955 PolarHBondContact ND2-ND2 3.1Å; N2646-N2955 VanDerWaalsContact ND2-ND2 3.11Å
2647	L	95.3	Very high	90.5	Very high	4.33333 Å²	4.33333	35.8 Å²	35.8	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	99.1	175.8	-54.7	-175.4	0	0	0	108.7	L2617 M2632 L2661 I2671 Q2672 V2673 L2674 N2676	L2617-L2647 HydrophobicContact CB-CD2 3.66Å; L2617-L2647 HydrophobicContact CD2-CD2 4.07Å; L2617-L2647 HydrophobicContact CG-CD2 4.36Å; L2617-L2647 CarbonylContact O-C 3.45Å; L2617-L2647 WeakPolarHBondContact O-CA 3.39Å; M2632-L2647 HydrophobicContact CE-CD1 3.92Å; M2632-L2647 HydrophobicContact CE-CD2 4.09Å; M2632-L2647 HydrophobicContact CE-CG 4.41Å; L2647-L2661 HydrophobicContact CD1-CD1 3.71Å; L2647-L2661 HydrophobicContact CD1-CD2 3.81Å; L2647-L2661 HydrophobicContact CD1-CG 4.42Å; L2647-I2671 HydrophobicContact CD1-CD1 4.15Å; L2647-Q2672 PolarHBondContact N-O 2.81Å; L2647-V2673 HydrophobicContact CB-CG1 4.35Å; L2647-V2673 HydrophobicContact CB-CG2 4.41Å; L2647-V2673 HydrophobicContact CD1-CG2 4.14Å; L2647-V2673 HydrophobicContact CG-CG2 4.46Å; L2647-V2673 CarbonylContact O-C 3.52Å; L2647-V2673 WeakPolarHBondContact O-CA 3.28Å; L2647-L2674 PolarHBondContact O-N 3.03Å; L2647-N2676 PolarHBondContact O-ND2 2.76Å
2648	T	93	Very high	91	Very high	3.66667 Å²	3.66667	34.4 Å²	34.4	2%	0.022	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.4	-172.6	-41.9	0	0	0	0	114.1	L2617 Q2618 N2619 N2646 N2650 L2674	L2617-T2648 PolarHBondContact O-N 2.95Å; L2617-T2648 VanDerWaalsContact O-N 3.07Å; Q2618-T2648 CarbonylContact C-O 3.55Å; Q2618-T2648 WeakPolarHBondContact CA-O 3.42Å; Q2618-T2648 WeakPolarHBondContact CB-O 3.31Å; Q2618-T2648 WeakPolarHBondContact CB-OG1 3.38Å; N2619-T2648 PolarHBondContact N-O 3.13Å; N2619-T2648 VanDerWaalsContact N-O 3.12Å; N2646-T2648 WeakPolarHBondContact OD1-CB 2.98Å; N2646-T2648 WeakPolarHBondContact OD1-CG2 2.99Å; N2646-T2648 PolarHBondContact OD1-OG1 3.04Å; T2648-N2650 PolarHBondContact N-ND2 2.84Å; T2648-N2650 PolarHBondContact O-N 3.08Å; T2648-N2650 VanDerWaalsContact O-N 3.13Å; T2648-N2650 PolarHBondContact O-ND2 3.23Å; T2648-L2674 VanDerWaalsContact CA-O 3.27Å; T2648-L2674 WeakPolarHBondContact CA-O 3.37Å; T2648-L2674 HydrophobicContact CG2-CB 4.11Å; T2648-L2674 HydrophobicContact CG2-CD1 4.4Å; T2648-L2674 HydrophobicContact CG2-CG 4.49Å
2649	N	92.9	Very high	91.6	Very high	6.33333 Å²	6.33333	30.7 Å²	30.7	3%	0.034	16%	0.155	C	C	.	.	S	Bend	trans	56.2	31.6	172	-64.2	-23.3	0	0	0	114.5	N2619 L2674 R2675 W2952	N2619-N2649 WeakPolarHBondContact CA-O 3.37Å; N2619-N2649 VanDerWaalsContact OD1-CB 3.3Å; N2619-N2649 WeakPolarHBondContact OD1-CB 3.43Å; N2649-L2674 PolarHBondContact N-O 2.93Å; N2649-L2674 VanDerWaalsContact N-O 3.1Å; N2649-R2675 WeakPolarHBondContact CA-O 3.4Å; N2649-R2675 WeakPolarHBondContact OD1-CB 3.42Å; N2649-R2675 WeakPolarHBondContact OD1-CD 3.39Å; N2649-W2952 PolarHBondContact ND2-O 3.06Å; N2649-W2952 PolarHBondContact OD1-O 3.36Å
2650	N	96.1	Very high	92.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.127	C	C	.	.			trans	-88.3	146.6	174.9	-53.7	-71.1	0	0	0	110.8	L2617 Q2618 N2619 S2620 T2648 N2676 Y2677	L2617-N2650 PolarHBondContact O-ND2 3.41Å; Q2618-N2650 VanDerWaalsContact C-OD1 3.25Å; Q2618-N2650 WeakPolarHBondContact CA-OD1 3.27Å; N2619-N2650 PolarHBondContact N-OD1 2.94Å; S2620-N2650 VanDerWaalsContact CB-OD1 3.32Å; S2620-N2650 WeakPolarHBondContact CB-OD1 3.41Å; S2620-N2650 PolarHBondContact N-OD1 2.94Å; S2620-N2650 VanDerWaalsContact N-OD1 3.08Å; S2620-N2650 WeakPolarHBondContact O-CA 3.26Å; T2648-N2650 PolarHBondContact N-ND2 2.84Å; T2648-N2650 PolarHBondContact O-N 3.08Å; T2648-N2650 VanDerWaalsContact O-N 3.13Å; T2648-N2650 PolarHBondContact O-ND2 3.23Å; N2650-N2676 VanDerWaalsContact CB-OD1 3.29Å; N2650-N2676 WeakPolarHBondContact CB-OD1 3.23Å; N2650-N2676 PolarHBondContact N-OD1 2.99Å; N2650-N2676 VanDerWaalsContact N-OD1 3.1Å; N2650-N2676 PolarHBondContact ND2-OD1 2.98Å; N2650-N2676 CarbonylContact O-C 3.42Å; N2650-N2676 WeakPolarHBondContact O-CA 3.18Å; N2650-Y2677 PolarHBondContact O-N 3.12Å
2651	V	96.3	Very high	93.1	Very high	2.33333 Å²	2.33333	21.2 Å²	21.2	1%	0.014	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	115.3	-179.8	178.4	0	0	0	0	108.2	S2620 Y2621 I2622 V2653 Y2677 F2914 A2916 F2926	S2620-V2651 PolarHBondContact O-N 3.36Å; Y2621-V2651 HydrophobicContact CD2-CB 4.11Å; Y2621-V2651 HydrophobicContact CD2-CG1 3.94Å; Y2621-V2651 HydrophobicContact CE2-CG1 4.15Å; I2622-V2651 PolarHBondContact N-O 3.24Å; V2651-V2653 HydrophobicContact CG1-CG1 4.02Å; V2651-V2653 HydrophobicContact CG1-CG2 3.58Å; V2651-Y2677 HydrophobicContact CG1-CD1 4.1Å; V2651-F2914 HydrophobicContact CG1-CD1 4.4Å; V2651-F2914 HydrophobicContact CG2-CB 4.31Å; V2651-F2914 HydrophobicContact CG2-CD1 3.89Å; V2651-A2916 HydrophobicContact CB-CB 3.95Å; V2651-A2916 HydrophobicContact CG1-CB 4.46Å; V2651-A2916 HydrophobicContact CG2-CB 3.68Å; V2651-F2926 HydrophobicContact CG1-CE2 4.1Å; V2651-F2926 HydrophobicContact CG1-CZ 3.78Å
2652	I	96.9	Very high	93.8	Very high	4.33333 Å²	4.33333	23.1 Å²	23.1	2%	0.022	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	104.1	-172	-57.7	-180	0	0	0	109.1	I2622 I2629 I2630 N2655 V2660 Y2677 I2678 A2679 N2681	I2622-I2652 WeakPolarHBondContact O-CA 3.39Å; I2629-I2652 HydrophobicContact CD1-CG2 3.27Å; I2629-I2652 HydrophobicContact CG1-CG2 4.49Å; I2629-I2652 HydrophobicContact CG2-CD1 4.38Å; I2629-I2652 HydrophobicContact CG2-CG2 4.19Å; I2630-I2652 HydrophobicContact CD1-CD1 4.08Å; I2652-N2655 VanDerWaalsContact CG2-ND2 3.33Å; I2652-N2655 WeakPolarHBondContact CG2-ND2 3.18Å; I2652-V2660 HydrophobicContact CD1-CG1 3.81Å; I2652-V2660 HydrophobicContact CG2-CG1 4.01Å; I2652-V2660 HydrophobicContact CG2-CG2 4.4Å; I2652-Y2677 PolarHBondContact N-O 3.01Å; I2652-I2678 HydrophobicContact CB-CG1 4.44Å; I2652-I2678 WeakPolarHBondContact O-CA 3.27Å; I2652-A2679 PolarHBondContact O-N 3.15Å; I2652-A2679 VanDerWaalsContact O-N 3.09Å; I2652-N2681 PolarHBondContact O-ND2 3.43Å; I2652-N2681 VanDerWaalsContact O-ND2 3.07Å
2653	V	95.6	Very high	94.3	Very high	0.333333 Å²	0.333333	22.4 Å²	22.4	0%	0.002	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.6	-168	-89.5	0	0	0	0	115	Y2621 I2622 A2623 K2624 V2651 N2655 Y2677 A2679 H2680 F2926 E2930	Y2621-V2653 HydrophobicContact CE2-CG2 3.81Å; I2622-V2653 PolarHBondContact O-N 2.98Å; A2623-V2653 VanDerWaalsContact CA-O 3.24Å; A2623-V2653 WeakPolarHBondContact CA-O 3.42Å; A2623-V2653 HydrophobicContact CB-CG2 3.86Å; K2624-V2653 PolarHBondContact N-O 3.15Å; V2651-V2653 HydrophobicContact CG1-CG1 4.02Å; V2651-V2653 HydrophobicContact CG1-CG2 3.58Å; V2653-N2655 PolarHBondContact N-ND2 2.97Å; V2653-N2655 VanDerWaalsContact N-ND2 3.12Å; V2653-N2655 PolarHBondContact O-N 2.83Å; V2653-N2655 VanDerWaalsContact O-N 3.14Å; V2653-N2655 PolarHBondContact O-ND2 3.09Å; V2653-N2655 VanDerWaalsContact O-ND2 3.1Å; V2653-Y2677 HydrophobicContact CG1-CD1 3.94Å; V2653-Y2677 HydrophobicContact CG1-CE1 3.85Å; V2653-Y2677 HydrophobicContact CG2-CD1 4.18Å; V2653-Y2677 HydrophobicContact CG2-CE1 4.28Å; V2653-A2679 VanDerWaalsContact CA-O 3.26Å; V2653-A2679 WeakPolarHBondContact CA-O 3.32Å; V2653-A2679 HydrophobicContact CG1-CB 4.34Å; V2653-A2679 VanDerWaalsContact CG1-O 3.31Å; V2653-A2679 WeakPolarHBondContact CG1-O 3.29Å; V2653-H2680 HydrophobicContact CG1-CB 4.23Å; V2653-F2926 HydrophobicContact CG2-CE2 4.32Å; V2653-F2926 HydrophobicContact CG2-CZ 4.34Å; V2653-E2930 WeakPolarHBondContact CG1-OE2 3.5Å
2654	R	95	Very high	94.3	Very high	101.333 Å²	101.333	24.2 Å²	24.2	38%	0.382	11%	0.111	S	C	.	.	S	Bend	trans	57.6	26.3	173	-64.9	-172.6	175.5	137.2	1.1	115.5	K2624 A2679 H2680 N2681 S2929 E2930	K2624-R2654 WeakPolarHBondContact CA-O 3.41Å; K2624-R2654 HydrophobicContact CG-CB 4.4Å; R2654-A2679 PolarHBondContact N-O 3.03Å; R2654-H2680 VanDerWaalsContact CA-O 3.28Å; R2654-H2680 WeakPolarHBondContact CA-O 3.33Å; R2654-H2680 HydrophobicContact CG-CB 3.96Å; R2654-H2680 PolarHBondContact N-O 2.78Å; R2654-N2681 PolarHBondContact N-OD1 2.96Å; R2654-S2929 PolarHBondContact NH2-O 3.22Å; R2654-E2930 WeakPolarHBondContact CD-OE1 3.48Å; R2654-E2930 IonicContact CZ-OE1 3.19Å; R2654-E2930 IonicContact CZ-OE2 3.07Å; R2654-E2930 IonicContact NE-OE1 2.99Å; R2654-E2930 PolarHBondContact NE-OE1 3.17Å; R2654-E2930 VanDerWaalsContact NE-OE1 3.17Å; R2654-E2930 IonicContact NE-OE2 3.3Å; R2654-E2930 PolarHBondContact NE-OE2 3.09Å; R2654-E2930 VanDerWaalsContact NE-OE2 3.14Å; R2654-E2930 IonicContact NH1-OE1 2.74Å; R2654-E2930 PolarHBondContact NH1-OE1 2.71Å; R2654-E2930 IonicContact NH1-OE2 3.14Å; R2654-E2930 PolarHBondContact NH1-OE2 2.89Å; R2654-E2930 IonicContact NH2-OE1 3.99Å; R2654-E2930 PolarHBondContact NH2-OE1 3.41Å; R2654-E2930 IonicContact NH2-OE2 3.52Å; R2654-E2930 PolarHBondContact NH2-OE2 2.92Å
2655	N	95.4	Very high	94.2	Very high	4.33333 Å²	4.33333	20.3 Å²	20.3	2%	0.023	10%	0.097	C	C	.	.			trans	-82	154.2	177.3	-55	-76.5	0	0	0	111	I2622 A2623 K2624 H2625 I2629 I2652 V2653 N2681 D2682	I2622-N2655 PolarHBondContact O-ND2 3.13Å; I2622-N2655 VanDerWaalsContact O-ND2 3.17Å; A2623-N2655 VanDerWaalsContact C-OD1 3.31Å; A2623-N2655 WeakPolarHBondContact CA-OD1 3.39Å; K2624-N2655 PolarHBondContact N-OD1 3.12Å; H2625-N2655 WeakPolarHBondContact CA-OD1 3.38Å; H2625-N2655 VanDerWaalsContact CB-OD1 3.22Å; H2625-N2655 WeakPolarHBondContact CB-OD1 3.37Å; H2625-N2655 PolarHBondContact N-OD1 3.14Å; H2625-N2655 WeakPolarHBondContact O-CA 3.28Å; H2625-N2655 WeakPolarHBondContact O-CB 3.4Å; I2629-N2655 HydrophobicContact CD1-CB 3.45Å; I2629-N2655 VanDerWaalsContact CD1-CB 3.42Å; I2629-N2655 VanDerWaalsContact CD1-CG 3.46Å; I2629-N2655 VanDerWaalsContact CD1-ND2 3.3Å; I2629-N2655 WeakPolarHBondContact CD1-ND2 3.17Å; I2629-N2655 HydrophobicContact CG1-CB 4.07Å; I2652-N2655 VanDerWaalsContact CG2-ND2 3.33Å; I2652-N2655 WeakPolarHBondContact CG2-ND2 3.18Å; V2653-N2655 PolarHBondContact N-ND2 2.97Å; V2653-N2655 VanDerWaalsContact N-ND2 3.12Å; V2653-N2655 PolarHBondContact O-N 2.83Å; V2653-N2655 VanDerWaalsContact O-N 3.14Å; V2653-N2655 PolarHBondContact O-ND2 3.09Å; V2653-N2655 VanDerWaalsContact O-ND2 3.1Å; N2655-N2681 VanDerWaalsContact CB-OD1 3.3Å; N2655-N2681 WeakPolarHBondContact CB-OD1 3.35Å; N2655-N2681 PolarHBondContact N-OD1 3.07Å; N2655-N2681 PolarHBondContact ND2-OD1 3.04Å; N2655-N2681 WeakPolarHBondContact O-CA 3.32Å; N2655-D2682 PolarHBondContact O-N 2.87Å
2656	K	92.7	Very high	93.8	Very high	127 Å²	127	20.7 Å²	20.7	55%	0.552	10%	0.099	S	C	*	.	B	Isolated β-bridge	trans	-134.1	149.1	-172.1	-64.3	-176.1	-178.7	179.7	0	113.2	H2625 S2626 G2627 G2658 D2682	H2625-K2656 PolarHBondContact O-N 3.24Å; S2626-K2656 WeakPolarHBondContact CA-O 3.43Å; G2627-K2656 PolarHBondContact N-O 3.07Å; K2656-G2658 VanDerWaalsContact C-N 3.29Å; K2656-G2658 PolarHBondContact O-N 2.98Å; K2656-D2682 CarbonylContact C-O 3.57Å; K2656-D2682 VanDerWaalsContact CA-O 3.29Å; K2656-D2682 WeakPolarHBondContact CA-O 3.27Å
2657	L	89	Confident	93.4	Very high	36.3333 Å²	36.3333	21.5 Å²	21.5	19%	0.19	10%	0.103	C	C	.	.	S	Bend	trans	57.8	30.5	168.9	-62.5	173.3	0	0	0	115.4	V2595 N2598 T2600 D2682	V2595-L2657 HydrophobicContact CB-CD1 4.49Å; V2595-L2657 HydrophobicContact CG1-CD1 3.57Å; V2595-L2657 HydrophobicContact CG2-CD1 4.13Å; N2598-L2657 HydrophobicContact CB-CD1 4.32Å; N2598-L2657 HydrophobicContact CB-CD2 4.47Å; T2600-L2657 WeakPolarHBondContact CA-O 3.33Å; T2600-L2657 WeakPolarHBondContact CG2-O 3.43Å; L2657-D2682 PolarHBondContact N-O 2.9Å
2658	G	89.6	Confident	93	Very high	4 Å²	4	23 Å²	23	4%	0.041	11%	0.109	C	C	.	.	S	Bend	trans	-164.6	173.8	171.4	0	0	0	0	0	113.3	G2627 D2628 K2656 C2683	G2627-G2658 WeakPolarHBondContact O-CA 3.44Å; D2628-G2658 VanDerWaalsContact OD1-CA 3.26Å; D2628-G2658 WeakPolarHBondContact OD1-CA 3.35Å; K2656-G2658 VanDerWaalsContact C-N 3.29Å; K2656-G2658 PolarHBondContact O-N 2.98Å; G2658-C2683 WeakPolarHBondContact O-CA 3.11Å; G2658-C2683 WeakPolarHBondContact O-CB 3.36Å; G2658-C2683 PolarHBondContact O-SG 3.02Å
2659	S	94.8	Very high	93	Very high	8.33333 Å²	8.33333	22.9 Å²	22.9	6%	0.058	11%	0.108	C	C	.	.			trans	-77.7	143.5	-176.6	-45.2	0	0	0	0	110.8	D2628 I2629 T2687	D2628-S2659 CarbonylContact C-O 3.48Å; D2628-S2659 WeakPolarHBondContact CA-O 3.35Å; D2628-S2659 VanDerWaalsContact OD1-CB 3.28Å; D2628-S2659 WeakPolarHBondContact OD1-CB 3.44Å; D2628-S2659 PolarHBondContact OD1-N 3.24Å; D2628-S2659 PolarHBondContact OD1-OG 3.09Å; I2629-S2659 PolarHBondContact N-O 3.04Å; S2659-T2687 VanDerWaalsContact CB-O 3.25Å; S2659-T2687 WeakPolarHBondContact CB-O 3.35Å; S2659-T2687 PolarHBondContact OG-O 3.18Å
2660	V	96.2	Very high	93	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	11%	0.111	C	C	.	.	S	Bend	trans	-73.4	-47.3	175.5	169.2	0	0	0	0	111.4	I2629 I2630 I2652 I2678 N2681 M2688	I2629-V2660 WeakPolarHBondContact CB-O 3.31Å; I2629-V2660 HydrophobicContact CD1-CB 4.26Å; I2629-V2660 HydrophobicContact CD1-CG1 4.43Å; I2629-V2660 HydrophobicContact CD1-CG2 3.86Å; I2630-V2660 PolarHBondContact N-O 3.03Å; I2630-V2660 VanDerWaalsContact N-O 3.1Å; I2652-V2660 HydrophobicContact CD1-CG1 3.81Å; I2652-V2660 HydrophobicContact CG2-CG1 4.01Å; I2652-V2660 HydrophobicContact CG2-CG2 4.4Å; V2660-I2678 HydrophobicContact CB-CG2 4.46Å; V2660-I2678 HydrophobicContact CG1-CD1 3.97Å; V2660-I2678 HydrophobicContact CG1-CG1 4.3Å; V2660-I2678 HydrophobicContact CG1-CG2 3.99Å; V2660-I2678 HydrophobicContact CG2-CG2 4.02Å; V2660-N2681 HydrophobicContact CG2-CB 4.22Å; V2660-M2688 WeakPolarHBondContact CA-O 3.35Å; V2660-M2688 HydrophobicContact CB-CG 3.83Å; V2660-M2688 HydrophobicContact CG2-CG 3.54Å; V2660-M2688 HydrophobicContact CG2-SD 4.29Å; V2660-M2688 PolarHBondContact N-O 3.19Å
2661	L	96.5	Very high	92.9	Very high	5.66667 Å²	5.66667	23.1 Å²	23.1	3%	0.03	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	116.1	179.1	172.7	61.7	0	0	0	109.4	I2630 M2632 L2647 A2663 I2671 V2673 M2688 I2689 H2690	I2630-L2661 HydrophobicContact CB-CD1 4.08Å; I2630-L2661 HydrophobicContact CG2-CD1 3.9Å; I2630-L2661 CarbonylContact O-C 3.55Å; I2630-L2661 WeakPolarHBondContact O-CA 3.41Å; M2632-L2661 HydrophobicContact CE-CD1 3.69Å; M2632-L2661 HydrophobicContact SD-CD1 4.39Å; L2647-L2661 HydrophobicContact CD1-CD1 3.71Å; L2647-L2661 HydrophobicContact CD1-CD2 3.81Å; L2647-L2661 HydrophobicContact CD1-CG 4.42Å; L2661-A2663 HydrophobicContact CD1-CB 4.27Å; L2661-A2663 HydrophobicContact CG-CB 4.47Å; L2661-I2671 HydrophobicContact CD2-CD1 4.38Å; L2661-V2673 HydrophobicContact CD2-CG2 4.09Å; L2661-M2688 PolarHBondContact N-O 2.98Å; L2661-M2688 VanDerWaalsContact N-O 3.08Å; L2661-I2689 HydrophobicContact CB-CG1 4.41Å; L2661-I2689 HydrophobicContact CB-CG2 4.17Å; L2661-I2689 HydrophobicContact CD2-CG2 4.12Å; L2661-I2689 HydrophobicContact CG-CG2 4.35Å; L2661-I2689 CarbonylContact O-C 3.4Å; L2661-I2689 VanDerWaalsContact O-CA 3.27Å; L2661-I2689 WeakPolarHBondContact O-CA 3.37Å; L2661-H2690 PolarHBondContact O-N 2.86Å
2662	Q	95.7	Very high	92.9	Very high	43.3333 Å²	43.3333	24.9 Å²	24.9	20%	0.202	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	101.3	173.5	-178	176.3	-20	0	0	108.3	I2630 H2631 M2632 H2664	I2630-Q2662 PolarHBondContact O-N 3.34Å; H2631-Q2662 CarbonylContact C-O 3.48Å; H2631-Q2662 WeakPolarHBondContact CA-O 3.23Å; H2631-Q2662 PolarHBondContact CD2-NE2 2.84Å; H2631-Q2662 PolarHBondContact CD2-O 3.41Å; H2631-Q2662 PolarHBondContact CD2-OE1 2.78Å; H2631-Q2662 PolarHBondContact NE2-NE2 2.97Å; H2631-Q2662 VanDerWaalsContact NE2-NE2 3.13Å; M2632-Q2662 PolarHBondContact N-O 3.02Å; Q2662-H2664 VanDerWaalsContact CG-NE2 3.27Å; Q2662-H2664 WeakPolarHBondContact CG-NE2 3.3Å; Q2662-H2664 PolarHBondContact NE2-NE2 3.15Å
2663	A	95.2	Very high	92.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.8	-176.7	0	0	0	0	0	110.3	M2632 L2661 I2671 H2690 I2691 N2692 L2694	M2632-A2663 HydrophobicContact CG-CB 3.53Å; M2632-A2663 WeakPolarHBondContact O-CA 3.22Å; M2632-A2663 HydrophobicContact SD-CB 3.79Å; L2661-A2663 HydrophobicContact CD1-CB 4.27Å; L2661-A2663 HydrophobicContact CG-CB 4.47Å; A2663-I2671 HydrophobicContact CB-CD1 4Å; A2663-H2690 PolarHBondContact N-O 3.19Å; A2663-I2691 WeakPolarHBondContact O-CA 3.13Å; A2663-N2692 PolarHBondContact O-N 3Å; A2663-L2694 VanDerWaalsContact C-CD1 3.41Å; A2663-L2694 HydrophobicContact CB-CD1 3.62Å; A2663-L2694 WeakPolarHBondContact O-CD1 3.3Å
2664	H	92.8	Very high	92.7	Very high	41 Å²	41	26 Å²	26	19%	0.19	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.7	177.2	-62.9	-83.6	0	0	0	110.4	H2631 M2632 V2633 L2634 Q2662 H2690 N2692	H2631-H2664 AromaticContact NE2-CD2 3.85Å; M2632-H2664 PolarHBondContact O-N 2.92Å; V2633-H2664 CarbonylContact C-O 3.35Å; V2633-H2664 WeakPolarHBondContact CA-O 3.27Å; L2634-H2664 PolarHBondContact N-O 3.08Å; Q2662-H2664 VanDerWaalsContact CG-NE2 3.27Å; Q2662-H2664 WeakPolarHBondContact CG-NE2 3.3Å; Q2662-H2664 PolarHBondContact NE2-NE2 3.15Å; H2664-H2690 AromaticContact CE1-CE1 3.68Å; H2664-H2690 AromaticContact CE1-ND1 3.62Å; H2664-N2692 CarbonylContact C-O 3.58Å; H2664-N2692 WeakPolarHBondContact CA-O 3.39Å; H2664-N2692 WeakPolarHBondContact ND1-CB 3.37Å; H2664-N2692 PolarHBondContact ND1-ND2 2.94Å; H2664-N2692 VanDerWaalsContact ND1-ND2 3.13Å
2665	G	89.8	Confident	92.6	Very high	15.3333 Å²	15.3333	23.8 Å²	23.8	16%	0.158	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-156.9	173.9	0	0	0	0	0	113.4	L2634 N2692 G2693	L2634-G2665 WeakPolarHBondContact O-CA 3.36Å; G2665-N2692 PolarHBondContact N-O 3.14Å; G2665-G2693 WeakPolarHBondContact O-CA 3.35Å
2666	N	87.5	Confident	92.6	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.043	12%	0.117	C	C	.	.			trans	-122.1	169.4	174	65.8	5.9	0	0	0	111.6	S2384 A2636 F2668 N2669 G2693	S2384-N2666 PolarHBondContact O-ND2 3.12Å; A2636-N2666 PolarHBondContact N-OD1 2.99Å; A2636-N2666 PolarHBondContact O-ND2 3.14Å; N2666-F2668 PolarHBondContact O-N 3.1Å; N2666-N2669 WeakPolarHBondContact O-CB 3.42Å; N2666-N2669 PolarHBondContact O-N 2.85Å; N2666-N2669 PolarHBondContact OD1-ND2 2.87Å; N2666-N2669 VanDerWaalsContact OD1-ND2 3.11Å; N2666-G2693 CarbonylContact C-O 3.52Å; N2666-G2693 WeakPolarHBondContact CA-O 3.28Å
2667	H	84.4	Confident	92.7	Very high	34 Å²	34	18 Å²	18	16%	0.157	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-3.2	-168.3	65.2	73.6	0	0	0	115	N2669 G2693 L2695 D2718 L2721	H2667-N2669 VanDerWaalsContact C-N 3.31Å; H2667-G2693 WeakPolarHBondContact CA-O 3.31Å; H2667-G2693 PolarHBondContact N-O 3.12Å; H2667-G2693 VanDerWaalsContact N-O 3.07Å; H2667-L2695 WeakPolarHBondContact O-CD1 3.43Å; H2667-D2718 IonicContact CD2-OD2 2.67Å; H2667-L2721 HydrophobicContact CB-CD1 3.43Å; H2667-L2721 HydrophobicContact CB-CD2 3.8Å; H2667-L2721 HydrophobicContact CB-CG 4.23Å
2668	F	88	Confident	93.1	Very high	35 Å²	35	16.5 Å²	16.5	15%	0.154	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.6	171.5	-60.7	-50.2	0	0	0	112.6	N2385 A2636 L2639 G2642 N2666	N2385-F2668 HydrophobicContact CB-CE2 4.3Å; N2385-F2668 WeakPolarHBondContact OD1-CE2 3.38Å; A2636-F2668 HydrophobicContact CB-CB 4Å; A2636-F2668 VanDerWaalsContact O-CD2 3.31Å; A2636-F2668 WeakPolarHBondContact O-CD2 3.46Å; L2639-F2668 HydrophobicContact CB-CD1 4.35Å; L2639-F2668 HydrophobicContact CD2-CB 4.49Å; L2639-F2668 HydrophobicContact CD2-CD1 3.68Å; L2639-F2668 HydrophobicContact CD2-CE1 4.46Å; L2639-F2668 HydrophobicContact CG-CD1 3.56Å; L2639-F2668 HydrophobicContact CG-CE1 3.98Å; G2642-F2668 VanDerWaalsContact CA-O 3.32Å; G2642-F2668 WeakPolarHBondContact CA-O 3.47Å; N2666-F2668 PolarHBondContact O-N 3.1Å
2669	N	92.3	Very high	93.4	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.082	C	C	.	.			trans	-103.8	140.9	-176	-65.1	-39	0	0	0	110.8	L2634 L2635 A2636 G2642 I2643 N2666 H2667 L2694 L2695	L2634-N2669 HydrophobicContact CB-CB 4.38Å; L2634-N2669 PolarHBondContact O-ND2 2.83Å; L2635-N2669 WeakPolarHBondContact CA-ND2 3.4Å; L2635-N2669 PolarHBondContact N-ND2 3.34Å; A2636-N2669 VanDerWaalsContact CB-OD1 3.31Å; A2636-N2669 WeakPolarHBondContact CB-OD1 3.39Å; A2636-N2669 PolarHBondContact N-ND2 3.01Å; G2642-N2669 VanDerWaalsContact CA-OD1 3.28Å; G2642-N2669 WeakPolarHBondContact CA-OD1 3.41Å; I2643-N2669 HydrophobicContact CG2-CB 3.86Å; I2643-N2669 PolarHBondContact N-OD1 2.99Å; N2666-N2669 WeakPolarHBondContact O-CB 3.42Å; N2666-N2669 PolarHBondContact O-N 2.85Å; N2666-N2669 PolarHBondContact OD1-ND2 2.87Å; N2666-N2669 VanDerWaalsContact OD1-ND2 3.11Å; H2667-N2669 VanDerWaalsContact C-N 3.31Å; N2669-L2694 HydrophobicContact CB-CD2 3.46Å; N2669-L2694 VanDerWaalsContact CB-CD2 3.42Å; N2669-L2695 PolarHBondContact O-N 2.96Å
2670	A	92.9	Very high	93.4	Very high	12.6667 Å²	12.6667	18.2 Å²	18.2	11%	0.105	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.2	-179.9	0	0	0	0	0	111.3	I2643 A2645 L2695	I2643-A2670 PolarHBondContact O-N 2.96Å; I2643-A2670 VanDerWaalsContact O-O 3.07Å; A2645-A2670 PolarHBondContact N-O 3.1Å; A2670-L2695 CarbonylContact C-O 3.59Å; A2670-L2695 VanDerWaalsContact CA-O 3.24Å; A2670-L2695 WeakPolarHBondContact CA-O 3.31Å; A2670-L2695 HydrophobicContact CB-CB 4.27Å
2671	I	95.2	Very high	93.4	Very high	0.333333 Å²	0.333333	18.3 Å²	18.3	0%	0.002	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.3	177	-168.4	172.4	0	0	0	111	M2632 A2645 L2647 L2661 A2663 V2673 I2691 L2694 L2695 S2696 Q2697	M2632-I2671 HydrophobicContact CE-CD1 4.4Å; M2632-I2671 HydrophobicContact SD-CD1 3.75Å; A2645-I2671 HydrophobicContact CB-CB 4.35Å; A2645-I2671 HydrophobicContact CB-CG1 4.05Å; A2645-I2671 CarbonylContact O-C 3.48Å; A2645-I2671 WeakPolarHBondContact O-CA 3.17Å; L2647-I2671 HydrophobicContact CD1-CD1 4.15Å; L2661-I2671 HydrophobicContact CD2-CD1 4.38Å; A2663-I2671 HydrophobicContact CB-CD1 4Å; I2671-V2673 HydrophobicContact CD1-CG2 3.98Å; I2671-V2673 HydrophobicContact CG1-CG2 3.84Å; I2671-I2691 HydrophobicContact CG2-CD1 4.43Å; I2671-I2691 HydrophobicContact CG2-CG2 4.26Å; I2671-L2694 HydrophobicContact CG2-CB 4.31Å; I2671-L2694 HydrophobicContact CG2-CD1 4.46Å; I2671-L2695 PolarHBondContact N-O 3.09Å; I2671-S2696 CarbonylContact O-C 3.52Å; I2671-S2696 WeakPolarHBondContact O-CA 3.42Å; I2671-Q2697 PolarHBondContact O-N 2.89Å
2672	Q	94.6	Very high	93.3	Very high	38.6667 Å²	38.6667	20.6 Å²	20.6	18%	0.181	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.7	174.9	-152.9	170.2	4	0	0	107.7	A2645 N2646 L2647 L2674 Q2697	A2645-Q2672 PolarHBondContact O-N 3.4Å; N2646-Q2672 CarbonylContact C-O 3.57Å; N2646-Q2672 WeakPolarHBondContact CA-O 3.37Å; N2646-Q2672 HydrophobicContact CB-CB 4.4Å; N2646-Q2672 PolarHBondContact ND2-OE1 3.02Å; L2647-Q2672 PolarHBondContact N-O 2.81Å; Q2672-L2674 HydrophobicContact CG-CD1 3.88Å; Q2672-L2674 HydrophobicContact CG-CD2 4.48Å; Q2672-L2674 HydrophobicContact CG-CG 3.79Å; Q2672-L2674 VanDerWaalsContact NE2-CD1 3.33Å; Q2672-Q2697 WeakPolarHBondContact CB-O 3.19Å; Q2672-Q2697 WeakPolarHBondContact CG-O 3.14Å; Q2672-Q2697 PolarHBondContact NE2-O 2.81Å
2673	V	95.8	Very high	93.2	Very high	3.33333 Å²	3.33333	18.6 Å²	18.6	2%	0.02	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	103.8	-178.8	-173.6	0	0	0	0	107.1	L2647 L2661 I2671 N2676 P2698 F2699 A2700 N2702	L2647-V2673 HydrophobicContact CB-CG1 4.35Å; L2647-V2673 HydrophobicContact CB-CG2 4.41Å; L2647-V2673 HydrophobicContact CD1-CG2 4.14Å; L2647-V2673 HydrophobicContact CG-CG2 4.46Å; L2647-V2673 CarbonylContact O-C 3.52Å; L2647-V2673 WeakPolarHBondContact O-CA 3.28Å; L2661-V2673 HydrophobicContact CD2-CG2 4.09Å; I2671-V2673 HydrophobicContact CD1-CG2 3.98Å; I2671-V2673 HydrophobicContact CG1-CG2 3.84Å; V2673-N2676 VanDerWaalsContact CG1-ND2 3.28Å; V2673-N2676 WeakPolarHBondContact CG1-ND2 3.35Å; V2673-P2698 PolarHBondContact N-O 3.03Å; V2673-P2698 VanDerWaalsContact N-O 3.11Å; V2673-F2699 HydrophobicContact CB-CD2 3.47Å; V2673-F2699 VanDerWaalsContact CB-CD2 3.47Å; V2673-F2699 HydrophobicContact CB-CE2 3.87Å; V2673-F2699 HydrophobicContact CB-CG 4.16Å; V2673-F2699 HydrophobicContact CG1-CD2 3.86Å; V2673-F2699 HydrophobicContact CG1-CE2 3.69Å; V2673-F2699 HydrophobicContact CG1-CZ 4.42Å; V2673-F2699 HydrophobicContact CG2-CD2 3.76Å; V2673-F2699 HydrophobicContact CG2-CE2 4.21Å; V2673-F2699 CarbonylContact O-C 3.57Å; V2673-F2699 WeakPolarHBondContact O-CA 3.26Å; V2673-A2700 PolarHBondContact O-N 3.14Å; V2673-N2702 PolarHBondContact O-ND2 3.4Å; V2673-N2702 PolarHBondContact O-OD1 2.93Å
2674	L	93.4	Very high	92.9	Very high	24.6667 Å²	24.6667	19.1 Å²	19.1	13%	0.129	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133	-169.6	-61.8	-178.7	0	0	0	113	L2647 T2648 N2649 Q2672 N2676 P2698 A2700	L2647-L2674 PolarHBondContact O-N 3.03Å; T2648-L2674 VanDerWaalsContact CA-O 3.27Å; T2648-L2674 WeakPolarHBondContact CA-O 3.37Å; T2648-L2674 HydrophobicContact CG2-CB 4.11Å; T2648-L2674 HydrophobicContact CG2-CD1 4.4Å; T2648-L2674 HydrophobicContact CG2-CG 4.49Å; N2649-L2674 PolarHBondContact N-O 2.93Å; N2649-L2674 VanDerWaalsContact N-O 3.1Å; Q2672-L2674 HydrophobicContact CG-CD1 3.88Å; Q2672-L2674 HydrophobicContact CG-CD2 4.48Å; Q2672-L2674 HydrophobicContact CG-CG 3.79Å; Q2672-L2674 VanDerWaalsContact NE2-CD1 3.33Å; L2674-N2676 PolarHBondContact N-ND2 2.86Å; L2674-N2676 PolarHBondContact O-N 3Å; L2674-N2676 VanDerWaalsContact O-N 3.1Å; L2674-N2676 PolarHBondContact O-ND2 3.04Å; L2674-N2676 VanDerWaalsContact O-ND2 3.09Å; L2674-P2698 HydrophobicContact CD2-CG 4.17Å; L2674-A2700 VanDerWaalsContact CA-O 3.28Å; L2674-A2700 WeakPolarHBondContact CA-O 3.33Å; L2674-A2700 HydrophobicContact CD2-CB 3.72Å; L2674-A2700 WeakPolarHBondContact CD2-O 3.43Å
2675	R	92.7	Very high	92.7	Very high	55.3333 Å²	55.3333	24.5 Å²	24.5	21%	0.209	12%	0.118	C	C	.	.	S	Bend	trans	54.5	31.8	168.2	-59.3	-177.4	-176.9	-76	0.4	114.3	N2649 A2700 N2701 N2702 Y2912 W2952	N2649-R2675 WeakPolarHBondContact CA-O 3.4Å; N2649-R2675 WeakPolarHBondContact OD1-CB 3.42Å; N2649-R2675 WeakPolarHBondContact OD1-CD 3.39Å; R2675-A2700 PolarHBondContact N-O 2.93Å; R2675-N2701 VanDerWaalsContact CA-O 3.27Å; R2675-N2701 WeakPolarHBondContact CA-O 3.15Å; R2675-N2701 HydrophobicContact CG-CB 3.84Å; R2675-N2702 PolarHBondContact N-OD1 2.97Å; R2675-Y2912 PolarHBondContact O-OH 3.04Å; R2675-W2952 VanDerWaalsContact NH1-CD1 3.28Å
2676	N	95.7	Very high	92.8	Very high	4.66667 Å²	4.66667	26.6 Å²	26.6	3%	0.025	12%	0.121	C	C	.	.			trans	-82.8	140.1	174.2	-57.2	-82.2	0	0	0	109.7	L2647 N2650 V2673 L2674 I2678 N2702 F2703	L2647-N2676 PolarHBondContact O-ND2 2.76Å; N2650-N2676 VanDerWaalsContact CB-OD1 3.29Å; N2650-N2676 WeakPolarHBondContact CB-OD1 3.23Å; N2650-N2676 PolarHBondContact N-OD1 2.99Å; N2650-N2676 VanDerWaalsContact N-OD1 3.1Å; N2650-N2676 PolarHBondContact ND2-OD1 2.98Å; N2650-N2676 CarbonylContact O-C 3.42Å; N2650-N2676 WeakPolarHBondContact O-CA 3.18Å; V2673-N2676 VanDerWaalsContact CG1-ND2 3.28Å; V2673-N2676 WeakPolarHBondContact CG1-ND2 3.35Å; L2674-N2676 PolarHBondContact N-ND2 2.86Å; L2674-N2676 PolarHBondContact O-N 3Å; L2674-N2676 VanDerWaalsContact O-N 3.1Å; L2674-N2676 PolarHBondContact O-ND2 3.04Å; L2674-N2676 VanDerWaalsContact O-ND2 3.09Å; N2676-I2678 HydrophobicContact CB-CD1 4.47Å; N2676-I2678 HydrophobicContact CB-CG1 4.36Å; N2676-N2702 WeakPolarHBondContact CB-OD1 3.42Å; N2676-N2702 PolarHBondContact N-OD1 3.03Å; N2676-N2702 PolarHBondContact ND2-OD1 3.03Å; N2676-N2702 WeakPolarHBondContact O-CA 3.21Å; N2676-F2703 PolarHBondContact O-N 2.87Å
2677	Y	95.7	Very high	93.1	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.02	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	108.3	175.1	-176.3	-88.6	0	0	0	108.5	N2650 V2651 I2652 V2653 A2679 F2703 Y2912 F2914 F2926 E2930	N2650-Y2677 PolarHBondContact O-N 3.12Å; V2651-Y2677 HydrophobicContact CG1-CD1 4.1Å; I2652-Y2677 PolarHBondContact N-O 3.01Å; V2653-Y2677 HydrophobicContact CG1-CD1 3.94Å; V2653-Y2677 HydrophobicContact CG1-CE1 3.85Å; V2653-Y2677 HydrophobicContact CG2-CD1 4.18Å; V2653-Y2677 HydrophobicContact CG2-CE1 4.28Å; Y2677-A2679 HydrophobicContact CD1-CB 4.21Å; Y2677-A2679 HydrophobicContact CE1-CB 3.54Å; Y2677-A2679 VanDerWaalsContact CE1-CB 3.49Å; Y2677-F2703 HydrophobicContact CD2-CB 4.42Å; Y2677-F2703 AromaticContact CD2-CD1 3.47Å; Y2677-F2703 HydrophobicContact CD2-CD1 3.47Å; Y2677-F2703 VanDerWaalsContact CD2-CD1 3.44Å; Y2677-F2703 HydrophobicContact CD2-CE1 4.15Å; Y2677-F2703 HydrophobicContact CD2-CG 4.34Å; Y2677-F2703 AromaticContact CE2-CD1 3.32Å; Y2677-F2703 HydrophobicContact CE2-CD1 3.32Å; Y2677-F2703 AromaticContact CE2-CE1 3.51Å; Y2677-F2703 HydrophobicContact CE2-CE1 3.51Å; Y2677-F2703 VanDerWaalsContact CE2-CE1 3.46Å; Y2677-F2703 HydrophobicContact CE2-CG 4.42Å; Y2677-F2703 HydrophobicContact CG-CD1 4.4Å; Y2677-Y2912 HydrophobicContact CD2-CE1 4.05Å; Y2677-F2914 AromaticContact CD1-CE1 3.95Å; Y2677-F2914 HydrophobicContact CD1-CE1 3.95Å; Y2677-F2914 HydrophobicContact CD2-CD1 4.5Å; Y2677-F2914 AromaticContact CD2-CE1 3.5Å; Y2677-F2914 HydrophobicContact CD2-CE1 3.5Å; Y2677-F2914 VanDerWaalsContact CD2-CE1 3.49Å; Y2677-F2914 HydrophobicContact CD2-CZ 4.06Å; Y2677-F2914 HydrophobicContact CE1-CE1 4.14Å; Y2677-F2914 AromaticContact CE2-CE1 3.73Å; Y2677-F2914 HydrophobicContact CE2-CE1 3.73Å; Y2677-F2914 AromaticContact CE2-CZ 3.95Å; Y2677-F2914 HydrophobicContact CE2-CZ 3.95Å; Y2677-F2914 HydrophobicContact CG-CD1 4.33Å; Y2677-F2914 AromaticContact CG-CE1 3.63Å; Y2677-F2914 HydrophobicContact CG-CE1 3.63Å; Y2677-F2926 HydrophobicContact CE1-CZ 4.41Å; Y2677-E2930 PolarHBondContact OH-O 2.8Å
2678	I	96.5	Very high	93.6	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.026	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	103.8	-175.2	-57.8	172.1	0	0	0	107.5	I2652 V2660 N2676 N2681 M2688 I2689 F2703 I2704 Y2705 N2707	I2652-I2678 HydrophobicContact CB-CG1 4.44Å; I2652-I2678 WeakPolarHBondContact O-CA 3.27Å; V2660-I2678 HydrophobicContact CB-CG2 4.46Å; V2660-I2678 HydrophobicContact CG1-CD1 3.97Å; V2660-I2678 HydrophobicContact CG1-CG1 4.3Å; V2660-I2678 HydrophobicContact CG1-CG2 3.99Å; V2660-I2678 HydrophobicContact CG2-CG2 4.02Å; N2676-I2678 HydrophobicContact CB-CD1 4.47Å; N2676-I2678 HydrophobicContact CB-CG1 4.36Å; I2678-N2681 WeakPolarHBondContact CG2-ND2 3.17Å; I2678-M2688 HydrophobicContact CG2-SD 4.19Å; I2678-I2689 HydrophobicContact CD1-CD1 3.97Å; I2678-F2703 PolarHBondContact N-O 2.7Å; I2678-I2704 HydrophobicContact CB-CG1 4.34Å; I2678-I2704 HydrophobicContact CD1-CG1 4.35Å; I2678-I2704 WeakPolarHBondContact O-CA 3.32Å; I2678-Y2705 PolarHBondContact O-N 2.98Å; I2678-N2707 PolarHBondContact O-ND2 3.04Å
2679	A	95	Very high	94.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153	-174.8	0	0	0	0	0	115.3	I2652 V2653 R2654 Y2677 N2681 Y2705 N2707	I2652-A2679 PolarHBondContact O-N 3.15Å; I2652-A2679 VanDerWaalsContact O-N 3.09Å; V2653-A2679 VanDerWaalsContact CA-O 3.26Å; V2653-A2679 WeakPolarHBondContact CA-O 3.32Å; V2653-A2679 HydrophobicContact CG1-CB 4.34Å; V2653-A2679 VanDerWaalsContact CG1-O 3.31Å; V2653-A2679 WeakPolarHBondContact CG1-O 3.29Å; R2654-A2679 PolarHBondContact N-O 3.03Å; Y2677-A2679 HydrophobicContact CD1-CB 4.21Å; Y2677-A2679 HydrophobicContact CE1-CB 3.54Å; Y2677-A2679 VanDerWaalsContact CE1-CB 3.49Å; A2679-N2681 PolarHBondContact N-ND2 2.89Å; A2679-N2681 PolarHBondContact O-N 3.05Å; A2679-N2681 VanDerWaalsContact O-N 3.14Å; A2679-N2681 PolarHBondContact O-ND2 3.03Å; A2679-N2681 VanDerWaalsContact O-ND2 3.12Å; A2679-Y2705 WeakPolarHBondContact CA-O 3.29Å; A2679-Y2705 HydrophobicContact CB-CD1 4.32Å; A2679-Y2705 WeakPolarHBondContact CB-O 3.33Å; A2679-N2707 WeakPolarHBondContact CA-OD1 3.49Å
2680	H	95.2	Very high	94.2	Very high	48.6667 Å²	48.6667	25.2 Å²	25.2	23%	0.225	12%	0.117	C	C	.	.	S	Bend	trans	58.1	24.9	173.1	-49.1	130.7	0	0	0	114.6	V2653 R2654 Y2705 D2706 N2707 E2930	V2653-H2680 HydrophobicContact CG1-CB 4.23Å; R2654-H2680 VanDerWaalsContact CA-O 3.28Å; R2654-H2680 WeakPolarHBondContact CA-O 3.33Å; R2654-H2680 HydrophobicContact CG-CB 3.96Å; R2654-H2680 PolarHBondContact N-O 2.78Å; H2680-Y2705 PolarHBondContact N-O 3.08Å; H2680-Y2705 AromaticContact NE2-CD1 3.97Å; H2680-Y2705 AromaticContact NE2-CE1 3.65Å; H2680-D2706 VanDerWaalsContact CA-O 3.3Å; H2680-D2706 WeakPolarHBondContact CA-O 3.31Å; H2680-D2706 IonicContact CD2-OD2 2.86Å; H2680-D2706 PolarHBondContact CD2-OD2 3.11Å; H2680-D2706 VanDerWaalsContact CD2-OD2 3.28Å; H2680-D2706 PolarHBondContact N-O 3.27Å; H2680-D2706 IonicContact NE2-OD2 3.14Å; H2680-N2707 PolarHBondContact N-OD1 3Å; H2680-E2930 PolarHBondContact CE1-O 3Å; H2680-E2930 IonicContact CE1-OE2 3.8Å; H2680-E2930 IonicContact ND1-OE2 2.9Å; H2680-E2930 PolarHBondContact ND1-OE2 2.81Å
2681	N	96	Very high	94.3	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	11%	0.112	C	C	.	.			trans	-91	137.9	-179.8	-56.7	-73.4	0	0	0	111.2	I2652 R2654 N2655 V2660 I2678 A2679 N2707 R2708	I2652-N2681 PolarHBondContact O-ND2 3.43Å; I2652-N2681 VanDerWaalsContact O-ND2 3.07Å; R2654-N2681 PolarHBondContact N-OD1 2.96Å; N2655-N2681 VanDerWaalsContact CB-OD1 3.3Å; N2655-N2681 WeakPolarHBondContact CB-OD1 3.35Å; N2655-N2681 PolarHBondContact N-OD1 3.07Å; N2655-N2681 PolarHBondContact ND2-OD1 3.04Å; N2655-N2681 WeakPolarHBondContact O-CA 3.32Å; V2660-N2681 HydrophobicContact CG2-CB 4.22Å; I2678-N2681 WeakPolarHBondContact CG2-ND2 3.17Å; A2679-N2681 PolarHBondContact N-ND2 2.89Å; A2679-N2681 PolarHBondContact O-N 3.05Å; A2679-N2681 VanDerWaalsContact O-N 3.14Å; A2679-N2681 PolarHBondContact O-ND2 3.03Å; A2679-N2681 VanDerWaalsContact O-ND2 3.12Å; N2681-N2707 VanDerWaalsContact CB-OD1 3.31Å; N2681-N2707 WeakPolarHBondContact CB-OD1 3.39Å; N2681-N2707 PolarHBondContact N-OD1 3.03Å; N2681-N2707 VanDerWaalsContact N-OD1 3.08Å; N2681-N2707 PolarHBondContact ND2-OD1 2.93Å; N2681-N2707 CarbonylContact O-C 3.57Å; N2681-N2707 WeakPolarHBondContact O-CA 3.38Å; N2681-R2708 PolarHBondContact O-N 3.07Å
2682	D	94.8	Very high	94.2	Very high	54.3333 Å²	54.3333	26.9 Å²	26.9	29%	0.291	12%	0.124	S	C	.	.	B	Isolated β-bridge	trans	-115.8	95.1	175.4	-173.1	6.2	0	0	0	111	N2655 K2656 L2657 G2684 R2708	N2655-D2682 PolarHBondContact O-N 2.87Å; K2656-D2682 CarbonylContact C-O 3.57Å; K2656-D2682 VanDerWaalsContact CA-O 3.29Å; K2656-D2682 WeakPolarHBondContact CA-O 3.27Å; L2657-D2682 PolarHBondContact N-O 2.9Å; D2682-G2684 VanDerWaalsContact C-N 3.28Å; D2682-G2684 PolarHBondContact O-N 3.25Å; D2682-G2684 PolarHBondContact OD1-N 3.26Å; D2682-G2684 VanDerWaalsContact OD1-N 3.09Å; D2682-R2708 CarbonylContact C-O 3.53Å; D2682-R2708 WeakPolarHBondContact CA-O 3.4Å; D2682-R2708 WeakPolarHBondContact OD1-CD 3.35Å; D2682-R2708 WeakPolarHBondContact OD1-CG 3.38Å; D2682-R2708 IonicContact OD1-CZ 3.47Å; D2682-R2708 IonicContact OD1-NH1 3.31Å; D2682-R2708 PolarHBondContact OD1-NH1 3.31Å; D2682-R2708 IonicContact OD2-NH1 2.93Å; D2682-R2708 PolarHBondContact OD2-NH1 3.12Å
2683	C	93.2	Very high	93.9	Very high	0.666667 Å²	0.666667	25.7 Å²	25.7	1%	0.005	12%	0.121	C	C	.	.			trans	-76.5	-13.4	179.3	-55.2	0	0	0	0	112.6	G2658 R2686 R2708 A2709	G2658-C2683 WeakPolarHBondContact O-CA 3.11Å; G2658-C2683 WeakPolarHBondContact O-CB 3.36Å; G2658-C2683 PolarHBondContact O-SG 3.02Å; C2683-R2686 HydrophobicContact CB-CB 4.36Å; C2683-R2686 PolarHBondContact O-NH1 3.33Å; C2683-R2708 PolarHBondContact N-O 3.09Å; C2683-A2709 HydrophobicContact CB-CB 3.88Å
2684	G	88.6	Confident	93.6	Very high	10 Å²	10	25.8 Å²	25.8	10%	0.103	12%	0.122	C	C	.	.			trans	63	-144.6	-167.2	0	0	0	0	0	112	D2682 R2686 A2709 D2710	D2682-G2684 VanDerWaalsContact C-N 3.28Å; D2682-G2684 PolarHBondContact O-N 3.25Å; D2682-G2684 PolarHBondContact OD1-N 3.26Å; D2682-G2684 VanDerWaalsContact OD1-N 3.09Å; G2684-R2686 PolarHBondContact O-N 3.05Å; G2684-A2709 CarbonylContact O-C 3.48Å; G2684-A2709 WeakPolarHBondContact O-CA 3.31Å; G2684-D2710 PolarHBondContact O-N 3.02Å; G2684-D2710 VanDerWaalsContact O-N 3.13Å
2685	Y	89.8	Confident	93.5	Very high	155.667 Å²	155.667	25.2 Å²	25.2	61%	0.61	12%	0.119	S	C	*	.	S	Bend	trans	-76.7	46.3	177.1	-62.6	-78.2	0	0	0	113.2	D2710 L2738 L2740	Y2685-D2710 VanDerWaalsContact C-CB 3.46Å; Y2685-L2738 HydrophobicContact CD1-CB 4.13Å; Y2685-L2738 HydrophobicContact CE1-CB 4.13Å; Y2685-L2740 HydrophobicContact CE1-CD2 4.49Å
2686	R	91	Very high	93.5	Very high	59.3333 Å²	59.3333	22.5 Å²	22.5	22%	0.224	11%	0.109	C	C	.	.	S	Bend	trans	-129.8	152.7	178.2	-61.2	175.4	-173.2	80.5	-5.4	110.3	N2598 T2600 C2683 G2684 A2709 D2710	N2598-R2686 PolarHBondContact O-NH2 2.92Å; T2600-R2686 VanDerWaalsContact N-NH2 3.17Å; T2600-R2686 VanDerWaalsContact OG1-CZ 3.31Å; T2600-R2686 PolarHBondContact OG1-NE 3.27Å; T2600-R2686 PolarHBondContact OG1-NH2 3.16Å; T2600-R2686 VanDerWaalsContact OG1-NH2 3.13Å; C2683-R2686 HydrophobicContact CB-CB 4.36Å; C2683-R2686 PolarHBondContact O-NH1 3.33Å; G2684-R2686 PolarHBondContact O-N 3.05Å; R2686-A2709 WeakPolarHBondContact O-CB 3.37Å; R2686-D2710 PolarHBondContact O-N 3Å
2687	T	94.1	Very high	93.3	Very high	24.6667 Å²	24.6667	26 Å²	26	15%	0.151	13%	0.125	C	C	.	.			trans	-66.4	133.6	173.1	-51.3	0	0	0	0	110.3	S2659 I2689 H2690 I2711 K2714	S2659-T2687 VanDerWaalsContact CB-O 3.25Å; S2659-T2687 WeakPolarHBondContact CB-O 3.35Å; S2659-T2687 PolarHBondContact OG-O 3.18Å; T2687-I2689 VanDerWaalsContact CG2-O 3.27Å; T2687-I2689 WeakPolarHBondContact CG2-O 3.45Å; T2687-H2690 HydrophobicContact CG2-CB 4.1Å; T2687-I2711 CarbonylContact C-O 3.5Å; T2687-I2711 VanDerWaalsContact CA-O 3.28Å; T2687-I2711 WeakPolarHBondContact CA-O 3.24Å; T2687-I2711 HydrophobicContact CG2-CB 4.27Å; T2687-I2711 HydrophobicContact CG2-CG2 4.48Å; T2687-I2711 WeakPolarHBondContact CG2-O 3.05Å; T2687-K2714 HydrophobicContact CG2-CB 3.57Å; T2687-K2714 HydrophobicContact CG2-CD 4.44Å
2688	M	96	Very high	93.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-75.9	-51.5	178.4	-179.6	-177.1	70.6	0	0	111.9	V2660 L2661 I2678 I2704 N2707 A2709 I2711 L2712	V2660-M2688 WeakPolarHBondContact CA-O 3.35Å; V2660-M2688 HydrophobicContact CB-CG 3.83Å; V2660-M2688 HydrophobicContact CG2-CG 3.54Å; V2660-M2688 HydrophobicContact CG2-SD 4.29Å; V2660-M2688 PolarHBondContact N-O 3.19Å; L2661-M2688 PolarHBondContact N-O 2.98Å; L2661-M2688 VanDerWaalsContact N-O 3.08Å; I2678-M2688 HydrophobicContact CG2-SD 4.19Å; M2688-I2704 HydrophobicContact CE-CG2 3.5Å; M2688-I2704 VanDerWaalsContact CE-CG2 3.47Å; M2688-I2704 HydrophobicContact SD-CG2 4.46Å; M2688-N2707 HydrophobicContact CE-CB 4.49Å; M2688-N2707 HydrophobicContact SD-CB 3.5Å; M2688-N2707 VanDerWaalsContact SD-CB 3.53Å; M2688-N2707 WeakPolarHBondContact SD-CB 3.44Å; M2688-A2709 HydrophobicContact CB-CB 3.73Å; M2688-I2711 PolarHBondContact N-O 3.26Å; M2688-L2712 WeakPolarHBondContact CB-O 3.25Å; M2688-L2712 HydrophobicContact CE-CB 3.91Å; M2688-L2712 HydrophobicContact CE-CD2 3.59Å; M2688-L2712 HydrophobicContact CE-CG 4.38Å; M2688-L2712 WeakPolarHBondContact CE-O 3.2Å; M2688-L2712 HydrophobicContact SD-CD2 3.88Å
2689	I	97	Very high	93.1	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.8	176.5	-56.5	177.3	0	0	0	108.8	L2661 I2678 T2687 I2691 F2699 I2704 L2712 L2713 K2714	L2661-I2689 HydrophobicContact CB-CG1 4.41Å; L2661-I2689 HydrophobicContact CB-CG2 4.17Å; L2661-I2689 HydrophobicContact CD2-CG2 4.12Å; L2661-I2689 HydrophobicContact CG-CG2 4.35Å; L2661-I2689 CarbonylContact O-C 3.4Å; L2661-I2689 VanDerWaalsContact O-CA 3.27Å; L2661-I2689 WeakPolarHBondContact O-CA 3.37Å; I2678-I2689 HydrophobicContact CD1-CD1 3.97Å; T2687-I2689 VanDerWaalsContact CG2-O 3.27Å; T2687-I2689 WeakPolarHBondContact CG2-O 3.45Å; I2689-I2691 HydrophobicContact CG2-CG1 4.31Å; I2689-F2699 HydrophobicContact CD1-CE2 4.23Å; I2689-F2699 HydrophobicContact CD1-CZ 3.88Å; I2689-F2699 HydrophobicContact CG2-CE2 4.28Å; I2689-I2704 HydrophobicContact CD1-CD1 3.96Å; I2689-L2712 WeakPolarHBondContact CB-O 3.44Å; I2689-L2712 PolarHBondContact N-O 3.15Å; I2689-L2713 HydrophobicContact CB-CD1 3.91Å; I2689-L2713 HydrophobicContact CG2-CD1 3.53Å; I2689-L2713 CarbonylContact O-C 3.48Å; I2689-L2713 WeakPolarHBondContact O-CA 3.38Å; I2689-K2714 PolarHBondContact O-N 3.04Å
2690	H	95.9	Very high	93.1	Very high	23 Å²	23	27 Å²	27	11%	0.106	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.1	176.6	-173.8	-157.7	0	0	0	109.4	L2661 A2663 H2664 T2687 K2714 E2716	L2661-H2690 PolarHBondContact O-N 2.86Å; A2663-H2690 PolarHBondContact N-O 3.19Å; H2664-H2690 AromaticContact CE1-CE1 3.68Å; H2664-H2690 AromaticContact CE1-ND1 3.62Å; T2687-H2690 HydrophobicContact CG2-CB 4.1Å; H2690-K2714 WeakPolarHBondContact CA-O 3.47Å; H2690-K2714 PolarHBondContact NE2-NZ 2.94Å; H2690-K2714 VanDerWaalsContact NE2-NZ 3.13Å; H2690-E2716 IonicContact NE2-OE2 2.9Å
2691	I	94.9	Very high	93	Very high	1.33333 Å²	1.33333	26.5 Å²	26.5	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.9	174	-59.8	175.4	0	0	0	107	A2663 I2671 I2689 L2694 F2699 K2714 C2715 E2716 Y2727	A2663-I2691 WeakPolarHBondContact O-CA 3.13Å; I2671-I2691 HydrophobicContact CG2-CD1 4.43Å; I2671-I2691 HydrophobicContact CG2-CG2 4.26Å; I2689-I2691 HydrophobicContact CG2-CG1 4.31Å; I2691-L2694 HydrophobicContact CG2-CB 4.03Å; I2691-L2694 HydrophobicContact CG2-CD1 4.44Å; I2691-F2699 HydrophobicContact CD1-CD2 4.05Å; I2691-F2699 HydrophobicContact CD1-CE2 4.49Å; I2691-K2714 PolarHBondContact N-O 2.94Å; I2691-C2715 WeakPolarHBondContact O-CA 3.41Å; I2691-E2716 PolarHBondContact O-N 3.36Å; I2691-Y2727 HydrophobicContact CD1-CE1 4.24Å
2692	N	92.4	Very high	93	Very high	47.3333 Å²	47.3333	26.4 Å²	26.4	25%	0.253	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119	-174.2	-178.5	22.6	0	0	0	111.3	A2663 H2664 G2665 L2694 E2716	A2663-N2692 PolarHBondContact O-N 3Å; H2664-N2692 CarbonylContact C-O 3.58Å; H2664-N2692 WeakPolarHBondContact CA-O 3.39Å; H2664-N2692 WeakPolarHBondContact ND1-CB 3.37Å; H2664-N2692 PolarHBondContact ND1-ND2 2.94Å; H2664-N2692 VanDerWaalsContact ND1-ND2 3.13Å; G2665-N2692 PolarHBondContact N-O 3.14Å; N2692-L2694 PolarHBondContact O-N 3.17Å; N2692-E2716 CarbonylContact C-O 3.55Å; N2692-E2716 VanDerWaalsContact CA-O 3.27Å; N2692-E2716 WeakPolarHBondContact CA-O 3.26Å; N2692-E2716 HydrophobicContact CB-CB 4.38Å; N2692-E2716 WeakPolarHBondContact OD1-CB 3.16Å; N2692-E2716 WeakPolarHBondContact OD1-CG 3.27Å
2693	G	87.4	Confident	93	Very high	12 Å²	12	24.1 Å²	24.1	12%	0.124	12%	0.118	C	C	.	.	S	Bend	trans	77.5	-10.1	175.7	0	0	0	0	0	115.4	G2665 N2666 H2667 E2716	G2665-G2693 WeakPolarHBondContact O-CA 3.35Å; N2666-G2693 CarbonylContact C-O 3.52Å; N2666-G2693 WeakPolarHBondContact CA-O 3.28Å; H2667-G2693 WeakPolarHBondContact CA-O 3.31Å; H2667-G2693 PolarHBondContact N-O 3.12Å; H2667-G2693 VanDerWaalsContact N-O 3.07Å; G2693-E2716 PolarHBondContact N-O 3.01Å
2694	L	90.8	Very high	93.1	Very high	6.66667 Å²	6.66667	24.1 Å²	24.1	4%	0.035	12%	0.118	C	C	.	.			trans	-91.9	152.2	-179.8	-63.1	157.3	0	0	0	112.4	L2634 A2663 N2669 I2671 I2691 N2692	L2634-L2694 HydrophobicContact CB-CD2 4.11Å; L2634-L2694 HydrophobicContact CD1-CD1 4.11Å; L2634-L2694 HydrophobicContact CD1-CD2 4.13Å; L2634-L2694 HydrophobicContact CG-CD2 4.39Å; A2663-L2694 VanDerWaalsContact C-CD1 3.41Å; A2663-L2694 HydrophobicContact CB-CD1 3.62Å; A2663-L2694 WeakPolarHBondContact O-CD1 3.3Å; N2669-L2694 HydrophobicContact CB-CD2 3.46Å; N2669-L2694 VanDerWaalsContact CB-CD2 3.42Å; I2671-L2694 HydrophobicContact CG2-CB 4.31Å; I2671-L2694 HydrophobicContact CG2-CD1 4.46Å; I2691-L2694 HydrophobicContact CG2-CB 4.03Å; I2691-L2694 HydrophobicContact CG2-CD1 4.44Å; N2692-L2694 PolarHBondContact O-N 3.17Å
2695	L	91.5	Very high	93.4	Very high	10.6667 Å²	10.6667	26 Å²	26	6%	0.056	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.1	172.5	-96.8	143.5	0	0	0	111.2	H2667 N2669 A2670 I2671 Q2697 L2721 Q2723	H2667-L2695 WeakPolarHBondContact O-CD1 3.43Å; N2669-L2695 PolarHBondContact O-N 2.96Å; A2670-L2695 CarbonylContact C-O 3.59Å; A2670-L2695 VanDerWaalsContact CA-O 3.24Å; A2670-L2695 WeakPolarHBondContact CA-O 3.31Å; A2670-L2695 HydrophobicContact CB-CB 4.27Å; I2671-L2695 PolarHBondContact N-O 3.09Å; L2695-Q2697 HydrophobicContact CB-CG 4.36Å; L2695-Q2697 HydrophobicContact CD2-CG 3.72Å; L2695-Q2697 HydrophobicContact CG-CG 3.81Å; L2695-L2721 HydrophobicContact CD2-CD1 3.96Å; L2695-Q2723 HydrophobicContact CD1-CB 4.02Å; L2695-Q2723 HydrophobicContact CD1-CG 4.22Å; L2695-Q2723 HydrophobicContact CD2-CB 3.92Å; L2695-Q2723 HydrophobicContact CD2-CG 4.49Å; L2695-Q2723 HydrophobicContact CG-CB 4.48Å
2696	S	93.1	Very high	93.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	111.7	177.7	-177.8	0	0	0	0	111.4	I2671 F2699 S2725 I2726	I2671-S2696 CarbonylContact O-C 3.52Å; I2671-S2696 WeakPolarHBondContact O-CA 3.42Å; S2696-F2699 VanDerWaalsContact OG-CB 3.23Å; S2696-F2699 WeakPolarHBondContact OG-CB 3.44Å; S2696-F2699 PolarHBondContact OG-N 3.04Å; S2696-F2699 VanDerWaalsContact OG-N 3.14Å; S2696-S2725 PolarHBondContact N-OG 3.06Å; S2696-S2725 WeakPolarHBondContact O-CA 3.19Å; S2696-I2726 PolarHBondContact O-N 3.18Å; S2696-I2726 PolarHBondContact OG-O 3.1Å
2697	Q	90.5	Very high	93.8	Very high	78 Å²	78	19 Å²	19	36%	0.364	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	79.1	-170.5	-67	-170.1	-28.2	0	0	115.1	I2671 Q2672 L2695	I2671-Q2697 PolarHBondContact O-N 2.89Å; Q2672-Q2697 WeakPolarHBondContact CB-O 3.19Å; Q2672-Q2697 WeakPolarHBondContact CG-O 3.14Å; Q2672-Q2697 PolarHBondContact NE2-O 2.81Å; L2695-Q2697 HydrophobicContact CB-CG 4.36Å; L2695-Q2697 HydrophobicContact CD2-CG 3.72Å; L2695-Q2697 HydrophobicContact CG-CG 3.81Å
2698	P	93.1	Very high	93.9	Very high	29.6667 Å²	29.6667	22.4 Å²	22.4	19%	0.193	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-102	163.6	-20.6	36.1	-29.2	0	0	0	112.1	V2673 L2674 A2700 I2726	V2673-P2698 PolarHBondContact N-O 3.03Å; V2673-P2698 VanDerWaalsContact N-O 3.11Å; L2674-P2698 HydrophobicContact CD2-CG 4.17Å; P2698-A2700 HydrophobicContact CB-CB 4.28Å; P2698-A2700 HydrophobicContact CG-CB 4.13Å; P2698-I2726 HydrophobicContact CB-CB 4.12Å; P2698-I2726 HydrophobicContact CB-CG2 4.12Å
2699	F	95.9	Very high	93.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	101.1	160.8	-174.3	-76.1	0	0	0	107.9	V2673 I2689 I2691 S2696 N2702 I2704 I2726 Y2727 Q2728 N2730	V2673-F2699 HydrophobicContact CB-CD2 3.47Å; V2673-F2699 VanDerWaalsContact CB-CD2 3.47Å; V2673-F2699 HydrophobicContact CB-CE2 3.87Å; V2673-F2699 HydrophobicContact CB-CG 4.16Å; V2673-F2699 HydrophobicContact CG1-CD2 3.86Å; V2673-F2699 HydrophobicContact CG1-CE2 3.69Å; V2673-F2699 HydrophobicContact CG1-CZ 4.42Å; V2673-F2699 HydrophobicContact CG2-CD2 3.76Å; V2673-F2699 HydrophobicContact CG2-CE2 4.21Å; V2673-F2699 CarbonylContact O-C 3.57Å; V2673-F2699 WeakPolarHBondContact O-CA 3.26Å; I2689-F2699 HydrophobicContact CD1-CE2 4.23Å; I2689-F2699 HydrophobicContact CD1-CZ 3.88Å; I2689-F2699 HydrophobicContact CG2-CE2 4.28Å; I2691-F2699 HydrophobicContact CD1-CD2 4.05Å; I2691-F2699 HydrophobicContact CD1-CE2 4.49Å; S2696-F2699 VanDerWaalsContact OG-CB 3.23Å; S2696-F2699 WeakPolarHBondContact OG-CB 3.44Å; S2696-F2699 PolarHBondContact OG-N 3.04Å; S2696-F2699 VanDerWaalsContact OG-N 3.14Å; F2699-N2702 WeakPolarHBondContact CD1-ND2 3.39Å; F2699-N2702 HydrophobicContact CE1-CB 4.15Å; F2699-N2702 VanDerWaalsContact CE1-ND2 3.31Å; F2699-N2702 WeakPolarHBondContact CE1-ND2 3.21Å; F2699-N2702 HydrophobicContact CZ-CB 4.36Å; F2699-I2704 HydrophobicContact CE1-CD1 4.34Å; F2699-I2704 HydrophobicContact CZ-CD1 4.17Å; F2699-I2726 PolarHBondContact N-O 3.14Å; F2699-Y2727 HydrophobicContact CB-CD1 3.54Å; F2699-Y2727 HydrophobicContact CB-CE1 3.79Å; F2699-Y2727 HydrophobicContact CB-CG 4.4Å; F2699-Y2727 AromaticContact CD1-CD1 3.81Å; F2699-Y2727 HydrophobicContact CD1-CD1 3.81Å; F2699-Y2727 HydrophobicContact CD1-CE1 4.42Å; F2699-Y2727 HydrophobicContact CD2-CD1 4.48Å; F2699-Y2727 HydrophobicContact CD2-CE1 4.35Å; F2699-Y2727 AromaticContact CG-CD1 3.73Å; F2699-Y2727 HydrophobicContact CG-CD1 3.73Å; F2699-Y2727 AromaticContact CG-CE1 3.94Å; F2699-Y2727 HydrophobicContact CG-CE1 3.97Å; F2699-Y2727 CarbonylContact O-C 3.54Å; F2699-Y2727 WeakPolarHBondContact O-CA 3.31Å; F2699-Q2728 PolarHBondContact O-N 2.96Å; F2699-N2730 VanDerWaalsContact CD1-OD1 3.28Å; F2699-N2730 WeakPolarHBondContact CD1-OD1 3.37Å; F2699-N2730 HydrophobicContact CE1-CB 4.49Å; F2699-N2730 VanDerWaalsContact CE1-OD1 3.32Å; F2699-N2730 WeakPolarHBondContact CE1-OD1 3.26Å; F2699-N2730 PolarHBondContact O-ND2 3.07Å
2700	A	94.2	Very high	93.7	Very high	1.66667 Å²	1.66667	23.9 Å²	23.9	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.2	-170	0	0	0	0	0	115.6	V2673 L2674 R2675 P2698 N2702 Q2728 N2730	V2673-A2700 PolarHBondContact O-N 3.14Å; L2674-A2700 VanDerWaalsContact CA-O 3.28Å; L2674-A2700 WeakPolarHBondContact CA-O 3.33Å; L2674-A2700 HydrophobicContact CD2-CB 3.72Å; L2674-A2700 WeakPolarHBondContact CD2-O 3.43Å; R2675-A2700 PolarHBondContact N-O 2.93Å; P2698-A2700 HydrophobicContact CB-CB 4.28Å; P2698-A2700 HydrophobicContact CG-CB 4.13Å; A2700-N2702 PolarHBondContact N-ND2 3.25Å; A2700-N2702 PolarHBondContact O-N 2.94Å; A2700-N2702 PolarHBondContact O-ND2 3.28Å; A2700-Q2728 WeakPolarHBondContact CA-O 3.37Å; A2700-Q2728 HydrophobicContact CB-CG 3.69Å; A2700-Q2728 WeakPolarHBondContact CB-O 3.36Å; A2700-N2730 WeakPolarHBondContact CA-OD1 3.26Å
2701	N	92.9	Very high	93.6	Very high	38.3333 Å²	38.3333	23.4 Å²	23.4	21%	0.205	12%	0.116	C	C	.	.	S	Bend	trans	58.3	19.4	176.3	-66.3	97	0	0	0	114.6	R2675 Q2728 K2729 N2730 N2902	R2675-N2701 VanDerWaalsContact CA-O 3.27Å; R2675-N2701 WeakPolarHBondContact CA-O 3.15Å; R2675-N2701 HydrophobicContact CG-CB 3.84Å; N2701-Q2728 PolarHBondContact N-O 2.92Å; N2701-K2729 WeakPolarHBondContact CA-O 3.28Å; N2701-K2729 PolarHBondContact N-O 3.01Å; N2701-K2729 VanDerWaalsContact N-O 3.13Å; N2701-N2730 PolarHBondContact N-OD1 3.48Å; N2701-N2902 WeakPolarHBondContact CA-ND2 3.24Å; N2701-N2902 PolarHBondContact O-ND2 3.08Å
2702	N	95.7	Very high	93.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.			trans	-81.4	137.6	175.9	-56	-69.8	0	0	0	110.6	V2673 R2675 N2676 F2699 A2700 I2704 N2730 G2731 N2902	V2673-N2702 PolarHBondContact O-ND2 3.4Å; V2673-N2702 PolarHBondContact O-OD1 2.93Å; R2675-N2702 PolarHBondContact N-OD1 2.97Å; N2676-N2702 WeakPolarHBondContact CB-OD1 3.42Å; N2676-N2702 PolarHBondContact N-OD1 3.03Å; N2676-N2702 PolarHBondContact ND2-OD1 3.03Å; N2676-N2702 WeakPolarHBondContact O-CA 3.21Å; F2699-N2702 WeakPolarHBondContact CD1-ND2 3.39Å; F2699-N2702 HydrophobicContact CE1-CB 4.15Å; F2699-N2702 VanDerWaalsContact CE1-ND2 3.31Å; F2699-N2702 WeakPolarHBondContact CE1-ND2 3.21Å; F2699-N2702 HydrophobicContact CZ-CB 4.36Å; A2700-N2702 PolarHBondContact N-ND2 3.25Å; A2700-N2702 PolarHBondContact O-N 2.94Å; A2700-N2702 PolarHBondContact O-ND2 3.28Å; N2702-I2704 HydrophobicContact CB-CD1 4.45Å; N2702-I2704 HydrophobicContact CB-CG1 4.46Å; N2702-N2730 WeakPolarHBondContact CB-OD1 3.4Å; N2702-N2730 PolarHBondContact N-OD1 3.12Å; N2702-N2730 PolarHBondContact ND2-OD1 3.13Å; N2702-N2730 WeakPolarHBondContact O-CA 3.3Å; N2702-G2731 PolarHBondContact O-N 2.99Å; N2702-N2902 VanDerWaalsContact C-ND2 3.26Å; N2702-N2902 PolarHBondContact N-ND2 2.76Å; N2702-N2902 PolarHBondContact O-ND2 3.12Å
2703	F	95	Very high	93.7	Very high	7 Å²	7	21.2 Å²	21.2	3%	0.031	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114	176.2	-178.1	-106.9	0	0	0	108.9	N2676 Y2677 I2678 Y2705 P2900 P2901 W2903	N2676-F2703 PolarHBondContact O-N 2.87Å; Y2677-F2703 HydrophobicContact CD2-CB 4.42Å; Y2677-F2703 AromaticContact CD2-CD1 3.47Å; Y2677-F2703 HydrophobicContact CD2-CD1 3.47Å; Y2677-F2703 VanDerWaalsContact CD2-CD1 3.44Å; Y2677-F2703 HydrophobicContact CD2-CE1 4.15Å; Y2677-F2703 HydrophobicContact CD2-CG 4.34Å; Y2677-F2703 AromaticContact CE2-CD1 3.32Å; Y2677-F2703 HydrophobicContact CE2-CD1 3.32Å; Y2677-F2703 AromaticContact CE2-CE1 3.51Å; Y2677-F2703 HydrophobicContact CE2-CE1 3.51Å; Y2677-F2703 VanDerWaalsContact CE2-CE1 3.46Å; Y2677-F2703 HydrophobicContact CE2-CG 4.42Å; Y2677-F2703 HydrophobicContact CG-CD1 4.4Å; I2678-F2703 PolarHBondContact N-O 2.7Å; F2703-Y2705 VanDerWaalsContact CE1-CB 3.44Å; F2703-Y2705 HydrophobicContact CE1-CD1 4.37Å; F2703-Y2705 AromaticContact CE1-CG 3.97Å; F2703-Y2705 HydrophobicContact CE1-CG 3.97Å; F2703-Y2705 HydrophobicContact CZ-CD2 4.36Å; F2703-Y2705 AromaticContact CZ-CG 3.96Å; F2703-Y2705 HydrophobicContact CZ-CG 3.96Å; F2703-P2900 HydrophobicContact CE2-CB 3.87Å; F2703-P2900 HydrophobicContact CZ-CB 4.09Å; F2703-P2901 HydrophobicContact CD2-CG 4Å; F2703-P2901 WeakPolarHBondContact CD2-O 3.26Å; F2703-P2901 HydrophobicContact CE2-CG 3.78Å; F2703-W2903 AromaticContact CE2-NE1 3.79Å; F2703-W2903 AromaticContact CZ-NE1 3.98Å
2704	I	96.1	Very high	94.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	102.4	-172.4	-62.3	171.1	0	0	0	107.4	I2678 M2688 I2689 F2699 N2702 G2731 F2732 Y2733 N2735	I2678-I2704 HydrophobicContact CB-CG1 4.34Å; I2678-I2704 HydrophobicContact CD1-CG1 4.35Å; I2678-I2704 WeakPolarHBondContact O-CA 3.32Å; M2688-I2704 HydrophobicContact CE-CG2 3.5Å; M2688-I2704 VanDerWaalsContact CE-CG2 3.47Å; M2688-I2704 HydrophobicContact SD-CG2 4.46Å; I2689-I2704 HydrophobicContact CD1-CD1 3.96Å; F2699-I2704 HydrophobicContact CE1-CD1 4.34Å; F2699-I2704 HydrophobicContact CZ-CD1 4.17Å; N2702-I2704 HydrophobicContact CB-CD1 4.45Å; N2702-I2704 HydrophobicContact CB-CG1 4.46Å; I2704-G2731 WeakPolarHBondContact CA-O 3.46Å; I2704-G2731 PolarHBondContact N-O 3Å; I2704-G2731 VanDerWaalsContact O-O 3.11Å; I2704-F2732 HydrophobicContact CB-CD1 4.1Å; I2704-F2732 HydrophobicContact CB-CE1 4.44Å; I2704-F2732 HydrophobicContact CD1-CD1 3.93Å; I2704-F2732 HydrophobicContact CD1-CE1 3.39Å; I2704-F2732 VanDerWaalsContact CD1-CE1 3.44Å; I2704-F2732 HydrophobicContact CD1-CZ 3.84Å; I2704-F2732 HydrophobicContact CG1-CE1 4.47Å; I2704-F2732 HydrophobicContact CG2-CD1 4.04Å; I2704-F2732 HydrophobicContact CG2-CE1 4.39Å; I2704-Y2733 PolarHBondContact O-N 3.06Å; I2704-N2735 PolarHBondContact O-ND2 3.04Å
2705	Y	94	Very high	94.2	Very high	49 Å²	49	22.3 Å²	22.3	19%	0.192	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.6	-167.2	174.1	-109.4	0	0	0	113.9	I2678 A2679 H2680 F2703 N2707 Y2733 N2734	I2678-Y2705 PolarHBondContact O-N 2.98Å; A2679-Y2705 WeakPolarHBondContact CA-O 3.29Å; A2679-Y2705 HydrophobicContact CB-CD1 4.32Å; A2679-Y2705 WeakPolarHBondContact CB-O 3.33Å; H2680-Y2705 PolarHBondContact N-O 3.08Å; H2680-Y2705 AromaticContact NE2-CD1 3.97Å; H2680-Y2705 AromaticContact NE2-CE1 3.65Å; F2703-Y2705 VanDerWaalsContact CE1-CB 3.44Å; F2703-Y2705 HydrophobicContact CE1-CD1 4.37Å; F2703-Y2705 AromaticContact CE1-CG 3.97Å; F2703-Y2705 HydrophobicContact CE1-CG 3.97Å; F2703-Y2705 HydrophobicContact CZ-CD2 4.36Å; F2703-Y2705 AromaticContact CZ-CG 3.96Å; F2703-Y2705 HydrophobicContact CZ-CG 3.96Å; Y2705-N2707 VanDerWaalsContact C-N 3.27Å; Y2705-N2707 PolarHBondContact N-ND2 3.08Å; Y2705-N2707 VanDerWaalsContact N-ND2 3.17Å; Y2705-N2707 PolarHBondContact O-N 3.01Å; Y2705-N2707 VanDerWaalsContact O-N 3.16Å; Y2705-N2707 PolarHBondContact O-ND2 3.11Å; Y2705-N2707 VanDerWaalsContact O-ND2 3.07Å; Y2705-Y2733 VanDerWaalsContact CA-O 3.31Å; Y2705-Y2733 WeakPolarHBondContact CA-O 3.29Å; Y2705-Y2733 AromaticContact CD2-CD1 3.48Å; Y2705-Y2733 HydrophobicContact CD2-CD1 3.48Å; Y2705-Y2733 VanDerWaalsContact CD2-CD1 3.48Å; Y2705-Y2733 HydrophobicContact CD2-CE1 4.18Å; Y2705-Y2733 HydrophobicContact CD2-CG 4.21Å; Y2705-Y2733 WeakPolarHBondContact CD2-O 3.32Å; Y2705-Y2733 AromaticContact CE2-CD1 3.59Å; Y2705-Y2733 HydrophobicContact CE2-CD1 3.59Å; Y2705-Y2733 AromaticContact CE2-CE1 3.79Å; Y2705-Y2733 HydrophobicContact CE2-CE1 3.79Å; Y2705-Y2733 HydrophobicContact CE2-CG 4.5Å; Y2705-N2734 HydrophobicContact CD2-CB 4.15Å; Y2705-N2734 HydrophobicContact CE2-CB 3.79Å
2706	D	94.4	Very high	94.1	Very high	67.6667 Å²	67.6667	23.4 Å²	23.4	36%	0.362	11%	0.11	S	C	.	.	S	Bend	trans	51.2	41.4	173.4	-158.9	53	0	0	0	114.2	H2680 Y2733 N2734 N2735	H2680-D2706 VanDerWaalsContact CA-O 3.3Å; H2680-D2706 WeakPolarHBondContact CA-O 3.31Å; H2680-D2706 IonicContact CD2-OD2 2.86Å; H2680-D2706 PolarHBondContact CD2-OD2 3.11Å; H2680-D2706 VanDerWaalsContact CD2-OD2 3.28Å; H2680-D2706 PolarHBondContact N-O 3.27Å; H2680-D2706 IonicContact NE2-OD2 3.14Å; D2706-Y2733 PolarHBondContact N-O 3.29Å; D2706-N2734 WeakPolarHBondContact CA-O 3.44Å; D2706-N2734 PolarHBondContact OD1-ND2 2.9Å; D2706-N2735 PolarHBondContact N-OD1 3.05Å
2707	N	96	Very high	93.6	Very high	1.33333 Å²	1.33333	24.6 Å²	24.6	1%	0.007	12%	0.123	C	C	.	.			trans	-99.7	150.7	174.6	-55.8	-82	0	0	0	111	I2678 A2679 H2680 N2681 M2688 Y2705 L2712 N2735 Q2736	I2678-N2707 PolarHBondContact O-ND2 3.04Å; A2679-N2707 WeakPolarHBondContact CA-OD1 3.49Å; H2680-N2707 PolarHBondContact N-OD1 3Å; N2681-N2707 VanDerWaalsContact CB-OD1 3.31Å; N2681-N2707 WeakPolarHBondContact CB-OD1 3.39Å; N2681-N2707 PolarHBondContact N-OD1 3.03Å; N2681-N2707 VanDerWaalsContact N-OD1 3.08Å; N2681-N2707 PolarHBondContact ND2-OD1 2.93Å; N2681-N2707 CarbonylContact O-C 3.57Å; N2681-N2707 WeakPolarHBondContact O-CA 3.38Å; M2688-N2707 HydrophobicContact CE-CB 4.49Å; M2688-N2707 HydrophobicContact SD-CB 3.5Å; M2688-N2707 VanDerWaalsContact SD-CB 3.53Å; M2688-N2707 WeakPolarHBondContact SD-CB 3.44Å; Y2705-N2707 VanDerWaalsContact C-N 3.27Å; Y2705-N2707 PolarHBondContact N-ND2 3.08Å; Y2705-N2707 VanDerWaalsContact N-ND2 3.17Å; Y2705-N2707 PolarHBondContact O-N 3.01Å; Y2705-N2707 VanDerWaalsContact O-N 3.16Å; Y2705-N2707 PolarHBondContact O-ND2 3.11Å; Y2705-N2707 VanDerWaalsContact O-ND2 3.07Å; N2707-L2712 HydrophobicContact CB-CD2 4.15Å; N2707-N2735 WeakPolarHBondContact CB-OD1 3.3Å; N2707-N2735 PolarHBondContact N-OD1 3.2Å; N2707-N2735 PolarHBondContact ND2-OD1 2.8Å; N2707-N2735 CarbonylContact O-C 3.45Å; N2707-N2735 WeakPolarHBondContact O-CA 3.42Å; N2707-N2735 WeakPolarHBondContact O-CB 3.38Å; N2707-Q2736 PolarHBondContact O-N 2.9Å
2708	R	95.4	Very high	93.2	Very high	95.3333 Å²	95.3333	23.9 Å²	23.9	36%	0.36	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.3	-179.9	-175.5	176.9	-178.7	-114.2	-3	110.3	N2681 D2682 C2683 Q2736 L2738	N2681-R2708 PolarHBondContact O-N 3.07Å; D2682-R2708 CarbonylContact C-O 3.53Å; D2682-R2708 WeakPolarHBondContact CA-O 3.4Å; D2682-R2708 WeakPolarHBondContact OD1-CD 3.35Å; D2682-R2708 WeakPolarHBondContact OD1-CG 3.38Å; D2682-R2708 IonicContact OD1-CZ 3.47Å; D2682-R2708 IonicContact OD1-NH1 3.31Å; D2682-R2708 PolarHBondContact OD1-NH1 3.31Å; D2682-R2708 IonicContact OD2-NH1 2.93Å; D2682-R2708 PolarHBondContact OD2-NH1 3.12Å; C2683-R2708 PolarHBondContact N-O 3.09Å; R2708-Q2736 WeakPolarHBondContact CA-O 3.36Å; R2708-Q2736 HydrophobicContact CG-CB 4.48Å; R2708-L2738 HydrophobicContact CG-CD1 3.75Å; R2708-L2738 HydrophobicContact CG-CD2 3.94Å; R2708-L2738 HydrophobicContact CG-CG 3.88Å; R2708-L2738 VanDerWaalsContact CZ-CD1 3.46Å
2709	A	94.9	Very high	92.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	170.2	-174	0	0	0	0	0	111.7	C2683 G2684 R2686 M2688 L2712 Q2736 A2737 L2738	C2683-A2709 HydrophobicContact CB-CB 3.88Å; G2684-A2709 CarbonylContact O-C 3.48Å; G2684-A2709 WeakPolarHBondContact O-CA 3.31Å; R2686-A2709 WeakPolarHBondContact O-CB 3.37Å; M2688-A2709 HydrophobicContact CB-CB 3.73Å; A2709-L2712 HydrophobicContact CB-CD2 4.18Å; A2709-Q2736 PolarHBondContact N-O 3.19Å; A2709-A2737 CarbonylContact O-C 3.58Å; A2709-A2737 VanDerWaalsContact O-CA 3.26Å; A2709-A2737 WeakPolarHBondContact O-CA 3.4Å; A2709-L2738 WeakPolarHBondContact O-CB 3.26Å; A2709-L2738 WeakPolarHBondContact O-CG 3.39Å; A2709-L2738 PolarHBondContact O-N 3.28Å
2710	D	93.5	Very high	91.3	Very high	32 Å²	32	27.7 Å²	27.7	17%	0.171	14%	0.14	C	C	.	.	S	Bend	trans	-65.1	-53.9	170.1	-179	49.4	0	0	0	110.9	G2684 Y2685 R2686 L2738 N2739	G2684-D2710 PolarHBondContact O-N 3.02Å; G2684-D2710 VanDerWaalsContact O-N 3.13Å; Y2685-D2710 VanDerWaalsContact C-CB 3.46Å; R2686-D2710 PolarHBondContact O-N 3Å; D2710-L2738 PolarHBondContact O-N 2.66Å; D2710-N2739 PolarHBondContact O-N 2.8Å; D2710-N2739 WeakPolarHBondContact OD1-CA 3.35Å; D2710-N2739 WeakPolarHBondContact OD1-CB 3.08Å; D2710-N2739 PolarHBondContact OD1-N 2.95Å; D2710-N2739 PolarHBondContact OD1-ND2 2.89Å; D2710-N2739 PolarHBondContact OD2-ND2 2.95Å
2711	I	94	Very high	90.4	Very high	14 Å²	14	29 Å²	29	7%	0.072	15%	0.147	C	C	.	.			trans	-134.6	136.9	174.7	-61.7	170.4	0	0	0	107	T2687 M2688 L2713 K2714 T2744 F2747	T2687-I2711 CarbonylContact C-O 3.5Å; T2687-I2711 VanDerWaalsContact CA-O 3.28Å; T2687-I2711 WeakPolarHBondContact CA-O 3.24Å; T2687-I2711 HydrophobicContact CG2-CB 4.27Å; T2687-I2711 HydrophobicContact CG2-CG2 4.48Å; T2687-I2711 WeakPolarHBondContact CG2-O 3.05Å; M2688-I2711 PolarHBondContact N-O 3.26Å; I2711-L2713 WeakPolarHBondContact CG2-O 3.39Å; I2711-K2714 HydrophobicContact CG2-CB 4.39Å; I2711-T2744 HydrophobicContact CG1-CG2 4.1Å; I2711-T2744 HydrophobicContact CG2-CG2 4.29Å; I2711-F2747 HydrophobicContact CD1-CB 4.04Å; I2711-F2747 HydrophobicContact CD1-CG 4.42Å; I2711-F2747 HydrophobicContact CG2-CB 3.94Å
2712	L	94.5	Very high	89.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-78.6	-48.3	-176.7	-66.7	157.6	0	0	0	111.9	M2688 I2689 N2707 A2709 N2735 T2745	M2688-L2712 WeakPolarHBondContact CB-O 3.25Å; M2688-L2712 HydrophobicContact CE-CB 3.91Å; M2688-L2712 HydrophobicContact CE-CD2 3.59Å; M2688-L2712 HydrophobicContact CE-CG 4.38Å; M2688-L2712 WeakPolarHBondContact CE-O 3.2Å; M2688-L2712 HydrophobicContact SD-CD2 3.88Å; I2689-L2712 WeakPolarHBondContact CB-O 3.44Å; I2689-L2712 PolarHBondContact N-O 3.15Å; N2707-L2712 HydrophobicContact CB-CD2 4.15Å; A2709-L2712 HydrophobicContact CB-CD2 4.18Å; L2712-N2735 HydrophobicContact CD1-CB 3.27Å; L2712-N2735 HydrophobicContact CD2-CB 3.8Å; L2712-N2735 HydrophobicContact CG-CB 4.2Å; L2712-T2745 WeakPolarHBondContact CA-O 3.46Å; L2712-T2745 HydrophobicContact CB-CG2 4.28Å; L2712-T2745 VanDerWaalsContact CB-O 3.32Å; L2712-T2745 WeakPolarHBondContact CB-O 3.35Å; L2712-T2745 HydrophobicContact CD1-CG2 3.85Å; L2712-T2745 PolarHBondContact N-O 3.12Å
2713	L	96	Very high	89.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.1	175.6	173	63.7	0	0	0	110.6	I2689 I2711 Y2727 F2732 T2745 I2746 F2747 F2755	I2689-L2713 HydrophobicContact CB-CD1 3.91Å; I2689-L2713 HydrophobicContact CG2-CD1 3.53Å; I2689-L2713 CarbonylContact O-C 3.48Å; I2689-L2713 WeakPolarHBondContact O-CA 3.38Å; I2711-L2713 WeakPolarHBondContact CG2-O 3.39Å; L2713-Y2727 HydrophobicContact CD1-CE1 4.39Å; L2713-Y2727 HydrophobicContact CD2-CD1 3.87Å; L2713-Y2727 HydrophobicContact CD2-CE1 3.96Å; L2713-F2732 HydrophobicContact CB-CE1 4.43Å; L2713-F2732 HydrophobicContact CB-CZ 4.45Å; L2713-F2732 HydrophobicContact CD2-CZ 4.07Å; L2713-T2745 PolarHBondContact N-O 2.97Å; L2713-I2746 HydrophobicContact CB-CG1 4.24Å; L2713-I2746 HydrophobicContact CB-CG2 4.47Å; L2713-I2746 HydrophobicContact CD2-CD1 4.09Å; L2713-I2746 HydrophobicContact CD2-CG1 4.32Å; L2713-I2746 HydrophobicContact CD2-CG2 4.37Å; L2713-I2746 HydrophobicContact CG-CG2 4.39Å; L2713-I2746 CarbonylContact O-C 3.43Å; L2713-I2746 VanDerWaalsContact O-CA 3.24Å; L2713-I2746 WeakPolarHBondContact O-CA 3.33Å; L2713-F2747 PolarHBondContact O-N 2.98Å; L2713-F2755 HydrophobicContact CD2-CE1 4.46Å
2714	K	95.3	Very high	88.8	Confident	41.3333 Å²	41.3333	43.6 Å²	43.6	18%	0.18	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123	175.1	-171	178.6	177.1	-149	0	110.1	T2687 I2689 H2690 I2691 I2711 E2716 F2747	T2687-K2714 HydrophobicContact CG2-CB 3.57Å; T2687-K2714 HydrophobicContact CG2-CD 4.44Å; I2689-K2714 PolarHBondContact O-N 3.04Å; H2690-K2714 WeakPolarHBondContact CA-O 3.47Å; H2690-K2714 PolarHBondContact NE2-NZ 2.94Å; H2690-K2714 VanDerWaalsContact NE2-NZ 3.13Å; I2691-K2714 PolarHBondContact N-O 2.94Å; I2711-K2714 HydrophobicContact CG2-CB 4.39Å; K2714-E2716 WeakPolarHBondContact CE-OE1 3.3Å; K2714-E2716 WeakPolarHBondContact CE-OE2 3.29Å; K2714-E2716 HydrophobicContact CG-CG 4.41Å; K2714-E2716 IonicContact NZ-OE1 3.2Å; K2714-E2716 PolarHBondContact NZ-OE1 2.85Å; K2714-E2716 IonicContact NZ-OE2 3.43Å; K2714-E2716 PolarHBondContact NZ-OE2 2.77Å; K2714-F2747 CarbonylContact C-O 3.44Å; K2714-F2747 WeakPolarHBondContact CA-O 3.3Å; K2714-F2747 HydrophobicContact CD-CD1 4.43Å; K2714-F2747 HydrophobicContact CG-CB 4.39Å; K2714-F2747 HydrophobicContact CG-CD1 4.01Å
2715	C	92.9	Very high	88.7	Confident	1.33333 Å²	1.33333	44 Å²	44	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118	-179.2	-53.2	0	0	0	0	110	I2691 Y2727 F2747 C2748 K2749	I2691-C2715 WeakPolarHBondContact O-CA 3.41Å; C2715-Y2727 PolarHBondContact SG-OH 3.08Å; C2715-Y2727 VanDerWaalsContact SG-OH 3.37Å; C2715-F2747 PolarHBondContact N-O 3.19Å; C2715-C2748 WeakPolarHBondContact O-CA 3.19Å; C2715-K2749 PolarHBondContact O-N 3.07Å
2716	E	89.4	Confident	88.8	Confident	33.3333 Å²	33.3333	44.2 Å²	44.2	16%	0.156	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.3	176.4	-89.9	-176.2	-178.5	0	0	109.8	H2690 I2691 N2692 G2693 K2714 K2749 N2750	H2690-E2716 IonicContact NE2-OE2 2.9Å; I2691-E2716 PolarHBondContact O-N 3.36Å; N2692-E2716 CarbonylContact C-O 3.55Å; N2692-E2716 VanDerWaalsContact CA-O 3.27Å; N2692-E2716 WeakPolarHBondContact CA-O 3.26Å; N2692-E2716 HydrophobicContact CB-CB 4.38Å; N2692-E2716 WeakPolarHBondContact OD1-CB 3.16Å; N2692-E2716 WeakPolarHBondContact OD1-CG 3.27Å; G2693-E2716 PolarHBondContact N-O 3.01Å; K2714-E2716 WeakPolarHBondContact CE-OE1 3.3Å; K2714-E2716 WeakPolarHBondContact CE-OE2 3.29Å; K2714-E2716 HydrophobicContact CG-CG 4.41Å; K2714-E2716 IonicContact NZ-OE1 3.2Å; K2714-E2716 PolarHBondContact NZ-OE1 2.85Å; K2714-E2716 IonicContact NZ-OE2 3.43Å; K2714-E2716 PolarHBondContact NZ-OE2 2.77Å; E2716-K2749 HydrophobicContact CG-CB 4.23Å; E2716-K2749 HydrophobicContact CG-CD 3.93Å; E2716-K2749 HydrophobicContact CG-CG 4.14Å; E2716-K2749 WeakPolarHBondContact OE1-CD 3.32Å; E2716-K2749 WeakPolarHBondContact OE1-CE 3.35Å; E2716-K2749 IonicContact OE1-NZ 3.08Å; E2716-K2749 PolarHBondContact OE1-NZ 3.08Å; E2716-K2749 VanDerWaalsContact OE2-CD 3.32Å; E2716-K2749 WeakPolarHBondContact OE2-CD 3.2Å; E2716-K2749 IonicContact OE2-NZ 2.93Å; E2716-K2749 PolarHBondContact OE2-NZ 2.94Å; E2716-N2750 VanDerWaalsContact C-OD1 3.25Å; E2716-N2750 WeakPolarHBondContact CA-OD1 3.47Å
2717	G	83.1	Confident	88.8	Confident	24.6667 Å²	24.6667	41.1 Å²	41.1	25%	0.254	21%	0.205	S	C	.	.			trans	178.1	178.2	179.5	0	0	0	0	0	112.8	N2750	G2717-N2750 WeakPolarHBondContact CA-ND2 3.4Å; G2717-N2750 PolarHBondContact N-OD1 2.81Å; G2717-N2750 PolarHBondContact O-ND2 2.73Å; G2717-N2750 PolarHBondContact O-OD1 2.83Å
2718	D	80.2	Confident	88.8	Confident	64 Å²	64	44 Å²	44	34%	0.342	22%	0.218	S	C	.	.			trans	-72.4	140.7	177.2	-168.3	-3	0	0	0	111	H2667 N2720 L2721 N2750	H2667-D2718 IonicContact CD2-OD2 2.67Å; D2718-N2720 PolarHBondContact OD1-N 3.12Å; D2718-N2720 VanDerWaalsContact OD1-N 3.11Å; D2718-L2721 HydrophobicContact CB-CD1 4Å; D2718-L2721 HydrophobicContact CB-CD2 4.36Å; D2718-L2721 HydrophobicContact CB-CG 4.08Å; D2718-N2750 PolarHBondContact O-ND2 3.2Å
2719	E	75.8	Confident	88.6	Confident	16.3333 Å²	16.3333	44.3 Å²	44.3	8%	0.076	22%	0.222	C	C	.	.	S	Bend	trans	-89.7	-23.7	-177.4	-77.2	-104.8	171.1	0	0	112.3	L2721 K2749 N2750 S2751 Q2774 S2775 I2776 R2813	E2719-L2721 PolarHBondContact O-N 3.25Å; E2719-L2721 VanDerWaalsContact O-N 3.1Å; E2719-K2749 VanDerWaalsContact OE1-O 3.12Å; E2719-N2750 VanDerWaalsContact CD-CB 3.48Å; E2719-N2750 HydrophobicContact CG-CB 3.88Å; E2719-N2750 VanDerWaalsContact OE1-CA 3.3Å; E2719-N2750 WeakPolarHBondContact OE1-CA 3.35Å; E2719-N2750 WeakPolarHBondContact OE1-CB 3.37Å; E2719-S2751 VanDerWaalsContact CD-N 3.28Å; E2719-S2751 PolarHBondContact OE1-N 2.8Å; E2719-S2751 PolarHBondContact OE1-OG 3.21Å; E2719-S2751 PolarHBondContact OE2-N 2.93Å; E2719-S2751 VanDerWaalsContact OE2-N 3.1Å; E2719-S2751 PolarHBondContact OE2-OG 3.17Å; E2719-Q2774 PolarHBondContact OE1-OE1 3.2Å; E2719-S2775 VanDerWaalsContact CD-CB 3.48Å; E2719-S2775 WeakPolarHBondContact CG-OG 3.46Å; E2719-S2775 VanDerWaalsContact OE1-CB 3.3Å; E2719-S2775 WeakPolarHBondContact OE1-CB 3.49Å; E2719-S2775 PolarHBondContact OE1-OG 3.36Å; E2719-S2775 PolarHBondContact OE2-OG 3.45Å; E2719-I2776 HydrophobicContact CB-CD1 4.14Å; E2719-I2776 HydrophobicContact CB-CG1 4.46Å; E2719-R2813 VanDerWaalsContact O-CZ 3.29Å; E2719-R2813 PolarHBondContact O-NH1 3.23Å; E2719-R2813 PolarHBondContact O-NH2 2.82Å; E2719-R2813 IonicContact OE1-CZ 3.63Å; E2719-R2813 IonicContact OE1-NH2 3.91Å; E2719-R2813 PolarHBondContact OE1-NH2 2.74Å; E2719-R2813 IonicContact OE2-CZ 3.82Å; E2719-R2813 IonicContact OE2-NE 3.65Å; E2719-R2813 IonicContact OE2-NH2 3.32Å; E2719-R2813 PolarHBondContact OE2-NH2 3.06Å
2720	N	74	Confident	88.7	Confident	94 Å²	94	44.3 Å²	44.3	50%	0.503	22%	0.222	S	C	.	.	S	Bend	trans	-82.3	16.7	-175.1	-68	-39.5	0	0	0	114	D2718	D2718-N2720 PolarHBondContact OD1-N 3.12Å; D2718-N2720 VanDerWaalsContact OD1-N 3.11Å
2721	L	74.9	Confident	88.7	Confident	29.3333 Å²	29.3333	42.8 Å²	42.8	15%	0.154	21%	0.214	C	C	.	.			trans	-94.6	141.5	-176.5	-56.5	173.2	0	0	0	111.6	H2667 L2695 D2718 E2719 Q2723 K2752	H2667-L2721 HydrophobicContact CB-CD1 3.43Å; H2667-L2721 HydrophobicContact CB-CD2 3.8Å; H2667-L2721 HydrophobicContact CB-CG 4.23Å; L2695-L2721 HydrophobicContact CD2-CD1 3.96Å; D2718-L2721 HydrophobicContact CB-CD1 4Å; D2718-L2721 HydrophobicContact CB-CD2 4.36Å; D2718-L2721 HydrophobicContact CB-CG 4.08Å; E2719-L2721 PolarHBondContact O-N 3.25Å; E2719-L2721 VanDerWaalsContact O-N 3.1Å; L2721-Q2723 PolarHBondContact O-N 3.14Å; L2721-K2752 VanDerWaalsContact O-CD 3.28Å; L2721-K2752 WeakPolarHBondContact O-CD 3.36Å; L2721-K2752 VanDerWaalsContact O-CE 3.31Å; L2721-K2752 WeakPolarHBondContact O-CE 3.32Å; L2721-K2752 PolarHBondContact O-NZ 2.73Å
2722	N	78.9	Confident	88.7	Confident	158.667 Å²	158.667	42.3 Å²	42.3	85%	0.848	21%	0.211	S	C	*	.	S	Bend	trans	-78.2	-6.4	170.9	-69.7	-18.2	0	0	0	113
2723	Q	83.2	Confident	88.5	Confident	89 Å²	89	44.5 Å²	44.5	42%	0.416	22%	0.22	S	C	.	.	S	Bend	trans	-101.6	148.7	-178.8	-64.9	176.9	-11.3	0	0	110.4	L2695 L2721	L2695-Q2723 HydrophobicContact CD1-CB 4.02Å; L2695-Q2723 HydrophobicContact CD1-CG 4.22Å; L2695-Q2723 HydrophobicContact CD2-CB 3.92Å; L2695-Q2723 HydrophobicContact CD2-CG 4.49Å; L2695-Q2723 HydrophobicContact CG-CB 4.48Å; L2721-Q2723 PolarHBondContact O-N 3.14Å
2724	Y	89	Confident	88.4	Confident	103.667 Å²	103.667	47.3 Å²	47.3	41%	0.407	24%	0.235	S	C	.	.			trans	-116	146.6	-179.1	-36.9	-96.4	0	0	0	110.6	I2726 K2752 I2754	Y2724-I2726 HydrophobicContact CD2-CD1 4.23Å; Y2724-I2726 HydrophobicContact CD2-CG1 3.73Å; Y2724-I2726 HydrophobicContact CE2-CD1 3.71Å; Y2724-I2726 HydrophobicContact CE2-CG1 3.72Å; Y2724-K2752 WeakPolarHBondContact CA-O 3.4Å; Y2724-K2752 WeakPolarHBondContact CB-O 3.48Å; Y2724-K2752 HydrophobicContact CD1-CB 4.24Å; Y2724-K2752 HydrophobicContact CD1-CD 4.08Å; Y2724-K2752 HydrophobicContact CE1-CD 3.59Å; Y2724-K2752 PolarHBondContact OH-NZ 3.04Å; Y2724-I2754 HydrophobicContact CD1-CD1 4.04Å; Y2724-I2754 HydrophobicContact CD1-CG1 3.96Å; Y2724-I2754 HydrophobicContact CD2-CD1 3.96Å; Y2724-I2754 VanDerWaalsContact CD2-CD1 3.45Å; Y2724-I2754 HydrophobicContact CD2-CG1 4.12Å; Y2724-I2754 HydrophobicContact CE2-CD1 3.63Å; Y2724-I2754 HydrophobicContact CG-CD1 3.93Å; Y2724-I2754 HydrophobicContact CG-CG1 4.17Å
2725	S	93.4	Very high	88.4	Confident	8 Å²	8	45.3 Å²	45.3	6%	0.056	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.5	169.7	-77.6	0	0	0	0	110.4	S2696 K2752 N2753 I2754	S2696-S2725 PolarHBondContact N-OG 3.06Å; S2696-S2725 WeakPolarHBondContact O-CA 3.19Å; S2725-K2752 PolarHBondContact N-O 3.24Å; S2725-N2753 VanDerWaalsContact CB-OD1 3.28Å; S2725-N2753 WeakPolarHBondContact CB-OD1 3.29Å; S2725-N2753 WeakPolarHBondContact O-CA 3.33Å; S2725-I2754 PolarHBondContact O-N 3.1Å
2726	I	95.1	Very high	88.5	Confident	52.6667 Å²	52.6667	48.1 Å²	48.1	27%	0.27	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.7	-172.7	-56.3	171.6	0	0	0	110.4	S2696 P2698 F2699 Y2724 Q2728	S2696-I2726 PolarHBondContact O-N 3.18Å; S2696-I2726 PolarHBondContact OG-O 3.1Å; P2698-I2726 HydrophobicContact CB-CB 4.12Å; P2698-I2726 HydrophobicContact CB-CG2 4.12Å; F2699-I2726 PolarHBondContact N-O 3.14Å; Y2724-I2726 HydrophobicContact CD2-CD1 4.23Å; Y2724-I2726 HydrophobicContact CD2-CG1 3.73Å; Y2724-I2726 HydrophobicContact CE2-CD1 3.71Å; Y2724-I2726 HydrophobicContact CE2-CG1 3.72Å; I2726-Q2728 HydrophobicContact CG2-CB 4.35Å; I2726-Q2728 HydrophobicContact CG2-CG 4.09Å
2727	Y	96.3	Very high	88.7	Confident	3 Å²	3	46.5 Å²	46.5	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	103.6	176.1	-60.8	-89.9	0	0	0	109.1	I2691 F2699 L2713 C2715 N2753 I2754 F2755 R2756 N2758	I2691-Y2727 HydrophobicContact CD1-CE1 4.24Å; F2699-Y2727 HydrophobicContact CB-CD1 3.54Å; F2699-Y2727 HydrophobicContact CB-CE1 3.79Å; F2699-Y2727 HydrophobicContact CB-CG 4.4Å; F2699-Y2727 AromaticContact CD1-CD1 3.81Å; F2699-Y2727 HydrophobicContact CD1-CD1 3.81Å; F2699-Y2727 HydrophobicContact CD1-CE1 4.42Å; F2699-Y2727 HydrophobicContact CD2-CD1 4.48Å; F2699-Y2727 HydrophobicContact CD2-CE1 4.35Å; F2699-Y2727 AromaticContact CG-CD1 3.73Å; F2699-Y2727 HydrophobicContact CG-CD1 3.73Å; F2699-Y2727 AromaticContact CG-CE1 3.94Å; F2699-Y2727 HydrophobicContact CG-CE1 3.97Å; F2699-Y2727 CarbonylContact O-C 3.54Å; F2699-Y2727 WeakPolarHBondContact O-CA 3.31Å; L2713-Y2727 HydrophobicContact CD1-CE1 4.39Å; L2713-Y2727 HydrophobicContact CD2-CD1 3.87Å; L2713-Y2727 HydrophobicContact CD2-CE1 3.96Å; C2715-Y2727 PolarHBondContact SG-OH 3.08Å; C2715-Y2727 VanDerWaalsContact SG-OH 3.37Å; Y2727-N2753 HydrophobicContact CE2-CB 4.43Å; Y2727-N2753 WeakPolarHBondContact CE2-OD1 3.42Å; Y2727-I2754 PolarHBondContact N-O 3.02Å; Y2727-F2755 VanDerWaalsContact CB-CD1 3.45Å; Y2727-F2755 HydrophobicContact CD1-CE1 4.21Å; Y2727-F2755 HydrophobicContact CD2-CD1 4.12Å; Y2727-F2755 AromaticContact CD2-CE1 3.57Å; Y2727-F2755 HydrophobicContact CD2-CE1 3.57Å; Y2727-F2755 HydrophobicContact CD2-CE2 4.42Å; Y2727-F2755 AromaticContact CD2-CZ 3.77Å; Y2727-F2755 HydrophobicContact CD2-CZ 3.77Å; Y2727-F2755 HydrophobicContact CE2-CE1 4.31Å; Y2727-F2755 HydrophobicContact CE2-CZ 4.2Å; Y2727-F2755 AromaticContact CG-CD1 3.93Å; Y2727-F2755 HydrophobicContact CG-CD1 3.93Å; Y2727-F2755 AromaticContact CG-CE1 3.52Å; Y2727-F2755 HydrophobicContact CG-CE1 3.52Å; Y2727-F2755 VanDerWaalsContact CG-CE1 3.48Å; Y2727-F2755 HydrophobicContact CG-CZ 4.2Å; Y2727-F2755 VanDerWaalsContact O-CA 3.28Å; Y2727-F2755 WeakPolarHBondContact O-CA 3.17Å; Y2727-R2756 PolarHBondContact O-N 2.93Å; Y2727-R2756 VanDerWaalsContact O-N 3.07Å; Y2727-N2758 PolarHBondContact O-ND2 2.89Å
2728	Q	94.2	Very high	89.1	Confident	61.3333 Å²	61.3333	46 Å²	46	29%	0.287	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.1	-172.7	65	178.2	-3.4	0	0	115.2	F2699 A2700 N2701 I2726 N2730 R2756	F2699-Q2728 PolarHBondContact O-N 2.96Å; A2700-Q2728 WeakPolarHBondContact CA-O 3.37Å; A2700-Q2728 HydrophobicContact CB-CG 3.69Å; A2700-Q2728 WeakPolarHBondContact CB-O 3.36Å; N2701-Q2728 PolarHBondContact N-O 2.92Å; I2726-Q2728 HydrophobicContact CG2-CB 4.35Å; I2726-Q2728 HydrophobicContact CG2-CG 4.09Å; Q2728-N2730 PolarHBondContact N-ND2 3.02Å; Q2728-N2730 PolarHBondContact O-N 3.19Å; Q2728-N2730 PolarHBondContact O-ND2 2.89Å; Q2728-R2756 CarbonylContact C-O 3.45Å; Q2728-R2756 WeakPolarHBondContact CA-O 3.46Å; Q2728-R2756 VanDerWaalsContact CB-O 3.29Å; Q2728-R2756 WeakPolarHBondContact CB-O 3.27Å
2729	K	93	Very high	89.6	Confident	102.667 Å²	102.667	44.5 Å²	44.5	45%	0.446	22%	0.215	S	C	.	.	S	Bend	trans	55.2	35.2	175.9	-54.8	-179.7	-180	-179.2	0	113.3	N2701 R2756 Y2757 N2758 N2902	N2701-K2729 WeakPolarHBondContact CA-O 3.28Å; N2701-K2729 PolarHBondContact N-O 3.01Å; N2701-K2729 VanDerWaalsContact N-O 3.13Å; K2729-R2756 PolarHBondContact N-O 3.02Å; K2729-R2756 VanDerWaalsContact N-O 3.14Å; K2729-Y2757 VanDerWaalsContact CA-O 3.29Å; K2729-Y2757 WeakPolarHBondContact CA-O 3.26Å; K2729-Y2757 PolarHBondContact N-O 2.8Å; K2729-N2758 PolarHBondContact N-OD1 2.96Å; K2729-N2902 PolarHBondContact O-ND2 3.01Å; K2729-N2902 VanDerWaalsContact O-ND2 3.16Å; K2729-N2902 PolarHBondContact O-OD1 3.15Å; K2729-N2902 VanDerWaalsContact O-OD1 3.05Å
2730	N	95.4	Very high	89.9	Confident	1 Å²	1	51 Å²	51	1%	0.005	25%	0.25	C	C	.	.			trans	-93.7	145.1	174.4	-57.5	-76.3	0	0	0	110.3	F2699 A2700 N2701 N2702 Q2728 F2732 N2758 Y2759	F2699-N2730 VanDerWaalsContact CD1-OD1 3.28Å; F2699-N2730 WeakPolarHBondContact CD1-OD1 3.37Å; F2699-N2730 HydrophobicContact CE1-CB 4.49Å; F2699-N2730 VanDerWaalsContact CE1-OD1 3.32Å; F2699-N2730 WeakPolarHBondContact CE1-OD1 3.26Å; F2699-N2730 PolarHBondContact O-ND2 3.07Å; A2700-N2730 WeakPolarHBondContact CA-OD1 3.26Å; N2701-N2730 PolarHBondContact N-OD1 3.48Å; N2702-N2730 WeakPolarHBondContact CB-OD1 3.4Å; N2702-N2730 PolarHBondContact N-OD1 3.12Å; N2702-N2730 PolarHBondContact ND2-OD1 3.13Å; N2702-N2730 WeakPolarHBondContact O-CA 3.3Å; Q2728-N2730 PolarHBondContact N-ND2 3.02Å; Q2728-N2730 PolarHBondContact O-N 3.19Å; Q2728-N2730 PolarHBondContact O-ND2 2.89Å; N2730-F2732 HydrophobicContact CB-CD2 4.19Å; N2730-F2732 HydrophobicContact CB-CE2 3.69Å; N2730-F2732 HydrophobicContact CB-CZ 4.42Å; N2730-N2758 WeakPolarHBondContact CB-OD1 3.4Å; N2730-N2758 PolarHBondContact N-OD1 3.12Å; N2730-N2758 PolarHBondContact ND2-OD1 3.2Å; N2730-N2758 WeakPolarHBondContact O-CA 3.21Å; N2730-Y2759 PolarHBondContact O-N 2.78Å
2731	G	93.4	Very high	90.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	102.2	176.8	0	0	0	0	0	111.2	N2702 I2704	N2702-G2731 PolarHBondContact O-N 2.99Å; I2704-G2731 WeakPolarHBondContact CA-O 3.46Å; I2704-G2731 PolarHBondContact N-O 3Å; I2704-G2731 VanDerWaalsContact O-O 3.11Å
2732	F	94.9	Very high	90.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	101.1	172.2	-65	-89.8	0	0	0	109.2	I2704 L2713 N2730 T2745 I2746 Y2759 F2760 R2761 N2762	I2704-F2732 HydrophobicContact CB-CD1 4.1Å; I2704-F2732 HydrophobicContact CB-CE1 4.44Å; I2704-F2732 HydrophobicContact CD1-CD1 3.93Å; I2704-F2732 HydrophobicContact CD1-CE1 3.39Å; I2704-F2732 VanDerWaalsContact CD1-CE1 3.44Å; I2704-F2732 HydrophobicContact CD1-CZ 3.84Å; I2704-F2732 HydrophobicContact CG1-CE1 4.47Å; I2704-F2732 HydrophobicContact CG2-CD1 4.04Å; I2704-F2732 HydrophobicContact CG2-CE1 4.39Å; L2713-F2732 HydrophobicContact CB-CE1 4.43Å; L2713-F2732 HydrophobicContact CB-CZ 4.45Å; L2713-F2732 HydrophobicContact CD2-CZ 4.07Å; N2730-F2732 HydrophobicContact CB-CD2 4.19Å; N2730-F2732 HydrophobicContact CB-CE2 3.69Å; N2730-F2732 HydrophobicContact CB-CZ 4.42Å; F2732-T2745 HydrophobicContact CB-CG2 4.18Å; F2732-T2745 HydrophobicContact CD1-CG2 3.74Å; F2732-T2745 HydrophobicContact CE1-CG2 4.3Å; F2732-T2745 HydrophobicContact CG-CG2 4.04Å; F2732-I2746 HydrophobicContact CE2-CD1 4.29Å; F2732-I2746 HydrophobicContact CZ-CD1 4.32Å; F2732-Y2759 PolarHBondContact N-O 3Å; F2732-F2760 HydrophobicContact CB-CD1 3.94Å; F2732-F2760 HydrophobicContact CB-CE1 4.35Å; F2732-F2760 AromaticContact CD2-CD1 3.74Å; F2732-F2760 HydrophobicContact CD2-CD1 3.74Å; F2732-F2760 AromaticContact CD2-CE1 3.32Å; F2732-F2760 HydrophobicContact CD2-CE1 3.32Å; F2732-F2760 HydrophobicContact CD2-CZ 4.18Å; F2732-F2760 AromaticContact CE2-CE1 3.71Å; F2732-F2760 HydrophobicContact CE2-CE1 3.71Å; F2732-F2760 HydrophobicContact CE2-CZ 4.29Å; F2732-F2760 HydrophobicContact CG-CD1 4.07Å; F2732-F2760 AromaticContact CG-CE1 3.97Å; F2732-F2760 HydrophobicContact CG-CE1 3.97Å; F2732-R2761 PolarHBondContact O-N 3.02Å; F2732-N2762 PolarHBondContact O-ND2 2.89Å
2733	Y	91	Very high	91.5	Very high	46.3333 Å²	46.3333	51 Å²	51	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.5	-172.7	-177.3	-130	0	0	0	113	I2704 Y2705 D2706 N2735 Y2759 R2761	I2704-Y2733 PolarHBondContact O-N 3.06Å; Y2705-Y2733 VanDerWaalsContact CA-O 3.31Å; Y2705-Y2733 WeakPolarHBondContact CA-O 3.29Å; Y2705-Y2733 AromaticContact CD2-CD1 3.48Å; Y2705-Y2733 HydrophobicContact CD2-CD1 3.48Å; Y2705-Y2733 VanDerWaalsContact CD2-CD1 3.48Å; Y2705-Y2733 HydrophobicContact CD2-CE1 4.18Å; Y2705-Y2733 HydrophobicContact CD2-CG 4.21Å; Y2705-Y2733 WeakPolarHBondContact CD2-O 3.32Å; Y2705-Y2733 AromaticContact CE2-CD1 3.59Å; Y2705-Y2733 HydrophobicContact CE2-CD1 3.59Å; Y2705-Y2733 AromaticContact CE2-CE1 3.79Å; Y2705-Y2733 HydrophobicContact CE2-CE1 3.79Å; Y2705-Y2733 HydrophobicContact CE2-CG 4.5Å; D2706-Y2733 PolarHBondContact N-O 3.29Å; Y2733-N2735 PolarHBondContact N-ND2 3.15Å; Y2733-N2735 VanDerWaalsContact N-ND2 3.15Å; Y2733-N2735 PolarHBondContact O-N 2.93Å; Y2733-N2735 VanDerWaalsContact O-N 3.15Å; Y2733-N2735 PolarHBondContact O-ND2 3.08Å; Y2733-N2735 VanDerWaalsContact O-ND2 3.14Å; Y2733-Y2759 AromaticContact CD2-CE1 3.9Å; Y2733-Y2759 HydrophobicContact CD2-CE1 3.95Å; Y2733-Y2759 HydrophobicContact CG-CE1 4.26Å; Y2733-R2761 HydrophobicContact CD2-CB 4.1Å; Y2733-R2761 HydrophobicContact CD2-CG 4.23Å; Y2733-R2761 HydrophobicContact CE2-CG 4.26Å; Y2733-R2761 PolarHBondContact OH-NH1 3.08Å
2734	N	92.3	Very high	92	Very high	60 Å²	60	46.9 Å²	46.9	32%	0.321	23%	0.225	S	C	.	.	S	Bend	trans	55.5	28.9	175.2	-159.4	55.5	0	0	0	115.5	Y2705 D2706 R2761 N2762	Y2705-N2734 HydrophobicContact CD2-CB 4.15Å; Y2705-N2734 HydrophobicContact CE2-CB 3.79Å; D2706-N2734 WeakPolarHBondContact CA-O 3.44Å; D2706-N2734 PolarHBondContact OD1-ND2 2.9Å; N2734-R2761 PolarHBondContact N-O 3.03Å; N2734-N2762 PolarHBondContact N-OD1 2.81Å
2735	N	95.1	Very high	92.2	Very high	0.666667 Å²	0.666667	42 Å²	42	0%	0.004	21%	0.205	C	C	.	.			trans	-88	158.5	176.8	-55	-83.3	0	0	0	111.2	I2704 D2706 N2707 L2712 Y2733 N2762 N2765	I2704-N2735 PolarHBondContact O-ND2 3.04Å; D2706-N2735 PolarHBondContact N-OD1 3.05Å; N2707-N2735 WeakPolarHBondContact CB-OD1 3.3Å; N2707-N2735 PolarHBondContact N-OD1 3.2Å; N2707-N2735 PolarHBondContact ND2-OD1 2.8Å; N2707-N2735 CarbonylContact O-C 3.45Å; N2707-N2735 WeakPolarHBondContact O-CA 3.42Å; N2707-N2735 WeakPolarHBondContact O-CB 3.38Å; L2712-N2735 HydrophobicContact CD1-CB 3.27Å; L2712-N2735 HydrophobicContact CD2-CB 3.8Å; L2712-N2735 HydrophobicContact CG-CB 4.2Å; Y2733-N2735 PolarHBondContact N-ND2 3.15Å; Y2733-N2735 VanDerWaalsContact N-ND2 3.15Å; Y2733-N2735 PolarHBondContact O-N 2.93Å; Y2733-N2735 VanDerWaalsContact O-N 3.15Å; Y2733-N2735 PolarHBondContact O-ND2 3.08Å; Y2733-N2735 VanDerWaalsContact O-ND2 3.14Å; N2735-N2762 WeakPolarHBondContact CB-OD1 3.31Å; N2735-N2762 PolarHBondContact N-OD1 3.08Å; N2735-N2762 PolarHBondContact ND2-OD1 3.15Å; N2735-N2762 VanDerWaalsContact ND2-OD1 3.09Å; N2735-N2765 PolarHBondContact O-OD1 3.14Å
2736	Q	95	Very high	92.4	Very high	58.6667 Å²	58.6667	41.7 Å²	41.7	27%	0.274	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.6	179.5	-173.9	-177.9	18.1	0	0	111.6	N2707 R2708 A2709 L2738 L2764 N2765	N2707-Q2736 PolarHBondContact O-N 2.9Å; R2708-Q2736 WeakPolarHBondContact CA-O 3.36Å; R2708-Q2736 HydrophobicContact CG-CB 4.48Å; A2709-Q2736 PolarHBondContact N-O 3.19Å; Q2736-L2738 HydrophobicContact CG-CD2 4.14Å; Q2736-L2764 HydrophobicContact CB-CD1 4.17Å; Q2736-L2764 HydrophobicContact CG-CB 4.17Å; Q2736-L2764 HydrophobicContact CG-CD1 4.05Å; Q2736-N2765 WeakPolarHBondContact CA-OD1 3.42Å
2737	A	94.9	Very high	92.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.9	168.1	0	0	0	0	0	110.6	A2709 R2743 T2744 N2765	A2709-A2737 CarbonylContact O-C 3.58Å; A2709-A2737 VanDerWaalsContact O-CA 3.26Å; A2709-A2737 WeakPolarHBondContact O-CA 3.4Å; A2737-R2743 HydrophobicContact CB-CB 3.9Å; A2737-R2743 VanDerWaalsContact O-CD 3.31Å; A2737-R2743 WeakPolarHBondContact O-CD 3.41Å; A2737-R2743 WeakPolarHBondContact O-CG 3.34Å; A2737-T2744 WeakPolarHBondContact CB-O 3.38Å; A2737-N2765 WeakPolarHBondContact CB-OD1 3.21Å; A2737-N2765 PolarHBondContact N-OD1 3.23Å
2738	L	92.1	Very high	92.2	Very high	14.3333 Å²	14.3333	41.3 Å²	41.3	8%	0.075	20%	0.2	C	C	.	.			trans	-109.6	-5.9	-172.2	-64.3	-175.1	0	0	0	114.3	Y2685 R2708 A2709 D2710 Q2736 L2740	Y2685-L2738 HydrophobicContact CD1-CB 4.13Å; Y2685-L2738 HydrophobicContact CE1-CB 4.13Å; R2708-L2738 HydrophobicContact CG-CD1 3.75Å; R2708-L2738 HydrophobicContact CG-CD2 3.94Å; R2708-L2738 HydrophobicContact CG-CG 3.88Å; R2708-L2738 VanDerWaalsContact CZ-CD1 3.46Å; A2709-L2738 WeakPolarHBondContact O-CB 3.26Å; A2709-L2738 WeakPolarHBondContact O-CG 3.39Å; A2709-L2738 PolarHBondContact O-N 3.28Å; D2710-L2738 PolarHBondContact O-N 2.66Å; Q2736-L2738 HydrophobicContact CG-CD2 4.14Å; L2738-L2740 PolarHBondContact O-N 2.88Å
2739	N	89.3	Confident	92	Very high	33.6667 Å²	33.6667	42.6 Å²	42.6	18%	0.18	20%	0.204	C	C	.	.			trans	-52	129.4	179.1	-167.3	-45.2	0	0	0	110.7	D2710 T2741 K2742 R2743	D2710-N2739 PolarHBondContact O-N 2.8Å; D2710-N2739 WeakPolarHBondContact OD1-CA 3.35Å; D2710-N2739 WeakPolarHBondContact OD1-CB 3.08Å; D2710-N2739 PolarHBondContact OD1-N 2.95Å; D2710-N2739 PolarHBondContact OD1-ND2 2.89Å; D2710-N2739 PolarHBondContact OD2-ND2 2.95Å; N2739-T2741 VanDerWaalsContact C-N 3.28Å; N2739-T2741 PolarHBondContact O-N 2.86Å; N2739-T2741 PolarHBondContact OD1-N 2.88Å; N2739-T2741 PolarHBondContact OD1-OG1 3.08Å; N2739-K2742 VanDerWaalsContact CB-O 3.25Å; N2739-K2742 WeakPolarHBondContact CB-O 3.37Å; N2739-K2742 PolarHBondContact OD1-N 2.99Å; N2739-R2743 VanDerWaalsContact O-CG 3.27Å; N2739-R2743 WeakPolarHBondContact O-CG 3.43Å
2740	L	82.4	Confident	91.7	Very high	152 Å²	152	38.2 Å²	38.2	80%	0.796	19%	0.186	S	C	*	.	S	Bend	trans	-70.2	-23.8	-175.2	-66.8	173.8	0	0	0	113.1	Y2685 L2738	Y2685-L2740 HydrophobicContact CE1-CD2 4.49Å; L2738-L2740 PolarHBondContact O-N 2.88Å
2741	T	85.6	Confident	91.3	Very high	117 Å²	117	38.3 Å²	38.3	72%	0.718	19%	0.187	S	C	*	.	S	Bend	trans	-99.1	-46.4	-174.8	60	0	0	0	0	112.8	N2739	N2739-T2741 VanDerWaalsContact C-N 3.28Å; N2739-T2741 PolarHBondContact O-N 2.86Å; N2739-T2741 PolarHBondContact OD1-N 2.88Å; N2739-T2741 PolarHBondContact OD1-OG1 3.08Å
2742	K	85.4	Confident	91.1	Very high	65.6667 Å²	65.6667	40 Å²	40	29%	0.286	19%	0.194	S	C	.	.			trans	-144.4	102.9	-178.7	-63.2	-176.9	-179	-178.3	0	109.1	N2739 T2744 Y2767 V2770 Y2869	N2739-K2742 VanDerWaalsContact CB-O 3.25Å; N2739-K2742 WeakPolarHBondContact CB-O 3.37Å; N2739-K2742 PolarHBondContact OD1-N 2.99Å; K2742-T2744 HydrophobicContact CB-CG2 3.83Å; K2742-T2744 WeakPolarHBondContact O-CG2 3.4Å; K2742-T2744 PolarHBondContact O-N 2.89Å; K2742-Y2767 HydrophobicContact CB-CD2 4.44Å; K2742-V2770 HydrophobicContact CD-CG1 4.42Å; K2742-Y2869 PolarHBondContact NZ-OH 3.2Å
2743	R	91	Very high	91	Very high	100 Å²	100	40.2 Å²	40.2	38%	0.377	20%	0.195	S	C	.	.			trans	-74.2	103.8	176.7	-64.1	178.1	179.4	170.5	4.3	109.1	A2737 N2739 L2764 D2766 Y2767	A2737-R2743 HydrophobicContact CB-CB 3.9Å; A2737-R2743 VanDerWaalsContact O-CD 3.31Å; A2737-R2743 WeakPolarHBondContact O-CD 3.41Å; A2737-R2743 WeakPolarHBondContact O-CG 3.34Å; N2739-R2743 VanDerWaalsContact O-CG 3.27Å; N2739-R2743 WeakPolarHBondContact O-CG 3.43Å; R2743-L2764 WeakPolarHBondContact CD-O 2.97Å; R2743-D2766 HydrophobicContact CB-CB 4.38Å; R2743-D2766 WeakPolarHBondContact CB-OD2 3.24Å; R2743-D2766 WeakPolarHBondContact CG-OD2 3.3Å; R2743-D2766 PolarHBondContact N-OD2 3.12Å; R2743-D2766 PolarHBondContact O-N 2.94Å; R2743-Y2767 PolarHBondContact O-N 2.8Å
2744	T	92.8	Very high	91.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.1	-174.4	156.8	0	0	0	0	113.3	I2711 A2737 K2742 I2746 F2747 Y2767 V2770	I2711-T2744 HydrophobicContact CG1-CG2 4.1Å; I2711-T2744 HydrophobicContact CG2-CG2 4.29Å; A2737-T2744 WeakPolarHBondContact CB-O 3.38Å; K2742-T2744 HydrophobicContact CB-CG2 3.83Å; K2742-T2744 WeakPolarHBondContact O-CG2 3.4Å; K2742-T2744 PolarHBondContact O-N 2.89Å; T2744-I2746 PolarHBondContact OG1-N 2.94Å; T2744-I2746 PolarHBondContact OG1-O 3.33Å; T2744-F2747 HydrophobicContact CG2-CB 4.29Å; T2744-Y2767 VanDerWaalsContact CA-O 3.3Å; T2744-Y2767 WeakPolarHBondContact CA-O 3.24Å; T2744-V2770 VanDerWaalsContact CB-CG2 3.46Å; T2744-V2770 HydrophobicContact CG2-CB 4.1Å; T2744-V2770 HydrophobicContact CG2-CG2 3.68Å; T2744-V2770 WeakPolarHBondContact OG1-CG2 3.29Å
2745	T	94.3	Very high	91.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-54.7	169.8	-54.1	0	0	0	0	110.8	L2712 L2713 F2732 F2760 N2762 N2765 Y2767 E2768	L2712-T2745 WeakPolarHBondContact CA-O 3.46Å; L2712-T2745 HydrophobicContact CB-CG2 4.28Å; L2712-T2745 VanDerWaalsContact CB-O 3.32Å; L2712-T2745 WeakPolarHBondContact CB-O 3.35Å; L2712-T2745 HydrophobicContact CD1-CG2 3.85Å; L2712-T2745 PolarHBondContact N-O 3.12Å; L2713-T2745 PolarHBondContact N-O 2.97Å; F2732-T2745 HydrophobicContact CB-CG2 4.18Å; F2732-T2745 HydrophobicContact CD1-CG2 3.74Å; F2732-T2745 HydrophobicContact CE1-CG2 4.3Å; F2732-T2745 HydrophobicContact CG-CG2 4.04Å; T2745-F2760 HydrophobicContact CG2-CD1 4.39Å; T2745-F2760 HydrophobicContact CG2-CE1 4.43Å; T2745-N2762 PolarHBondContact OG1-ND2 2.94Å; T2745-N2762 VanDerWaalsContact OG1-ND2 3.13Å; T2745-N2765 PolarHBondContact OG1-ND2 3.13Å; T2745-Y2767 PolarHBondContact N-O 2.92Å; T2745-Y2767 VanDerWaalsContact N-O 3.15Å; T2745-E2768 VanDerWaalsContact CB-O 3.32Å; T2745-E2768 WeakPolarHBondContact CB-O 3.26Å; T2745-E2768 VanDerWaalsContact CB-OE2 3.26Å; T2745-E2768 WeakPolarHBondContact CB-OE2 3.35Å; T2745-E2768 PolarHBondContact OG1-OE2 3.08Å
2746	I	95.9	Very high	91.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.4	-179	-53.1	-172.7	0	0	0	110.4	L2713 F2732 T2744 C2748 F2755 F2760 E2768 L2769 V2770	L2713-I2746 HydrophobicContact CB-CG1 4.24Å; L2713-I2746 HydrophobicContact CB-CG2 4.47Å; L2713-I2746 HydrophobicContact CD2-CD1 4.09Å; L2713-I2746 HydrophobicContact CD2-CG1 4.32Å; L2713-I2746 HydrophobicContact CD2-CG2 4.37Å; L2713-I2746 HydrophobicContact CG-CG2 4.39Å; L2713-I2746 CarbonylContact O-C 3.43Å; L2713-I2746 VanDerWaalsContact O-CA 3.24Å; L2713-I2746 WeakPolarHBondContact O-CA 3.33Å; F2732-I2746 HydrophobicContact CE2-CD1 4.29Å; F2732-I2746 HydrophobicContact CZ-CD1 4.32Å; T2744-I2746 PolarHBondContact OG1-N 2.94Å; T2744-I2746 PolarHBondContact OG1-O 3.33Å; I2746-C2748 WeakPolarHBondContact CG2-SG 3.31Å; I2746-F2755 HydrophobicContact CD1-CD1 3.96Å; I2746-F2755 HydrophobicContact CD1-CE1 3.72Å; I2746-F2755 HydrophobicContact CD1-CZ 4.47Å; I2746-F2755 HydrophobicContact CG2-CE1 4.06Å; I2746-F2755 HydrophobicContact CG2-CZ 3.96Å; I2746-F2760 HydrophobicContact CD1-CE1 3.5Å; I2746-F2760 VanDerWaalsContact CD1-CE1 3.46Å; I2746-F2760 HydrophobicContact CD1-CZ 3.55Å; I2746-F2760 HydrophobicContact CG1-CE1 4.15Å; I2746-E2768 WeakPolarHBondContact CB-O 3.34Å; I2746-E2768 PolarHBondContact N-O 3.12Å; I2746-L2769 HydrophobicContact CB-CD1 3.81Å; I2746-L2769 HydrophobicContact CG2-CD1 3.64Å; I2746-L2769 CarbonylContact O-C 3.55Å; I2746-L2769 WeakPolarHBondContact O-CA 3.41Å; I2746-V2770 PolarHBondContact O-N 3.03Å
2747	F	95.1	Very high	91.1	Very high	47.3333 Å²	47.3333	41.9 Å²	41.9	21%	0.208	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.6	166.5	-176.7	-94.1	0	0	0	110.3	I2711 L2713 K2714 C2715 T2744 K2749 V2770	I2711-F2747 HydrophobicContact CD1-CB 4.04Å; I2711-F2747 HydrophobicContact CD1-CG 4.42Å; I2711-F2747 HydrophobicContact CG2-CB 3.94Å; L2713-F2747 PolarHBondContact O-N 2.98Å; K2714-F2747 CarbonylContact C-O 3.44Å; K2714-F2747 WeakPolarHBondContact CA-O 3.3Å; K2714-F2747 HydrophobicContact CD-CD1 4.43Å; K2714-F2747 HydrophobicContact CG-CB 4.39Å; K2714-F2747 HydrophobicContact CG-CD1 4.01Å; C2715-F2747 PolarHBondContact N-O 3.19Å; T2744-F2747 HydrophobicContact CG2-CB 4.29Å; F2747-K2749 HydrophobicContact CE1-CB 4.27Å; F2747-K2749 HydrophobicContact CE1-CD 4.24Å; F2747-K2749 HydrophobicContact CE1-CG 3.67Å; F2747-K2749 HydrophobicContact CZ-CG 4.14Å; F2747-V2770 CarbonylContact C-O 3.52Å; F2747-V2770 VanDerWaalsContact CA-O 3.3Å; F2747-V2770 WeakPolarHBondContact CA-O 3.21Å; F2747-V2770 HydrophobicContact CD2-CB 4.1Å; F2747-V2770 HydrophobicContact CD2-CG1 3.85Å; F2747-V2770 HydrophobicContact CE2-CG1 4.03Å
2748	C	93.4	Very high	91.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116	-175	-141.5	0	0	0	0	111.5	C2715 I2746 N2750 N2753 F2755 L2769 V2770 T2771 G2772 I2817	C2715-C2748 WeakPolarHBondContact O-CA 3.19Å; I2746-C2748 WeakPolarHBondContact CG2-SG 3.31Å; C2748-N2750 PolarHBondContact SG-O 3.3Å; C2748-N2750 VanDerWaalsContact SG-O 3.35Å; C2748-N2753 VanDerWaalsContact SG-CG 3.57Å; C2748-N2753 PolarHBondContact SG-ND2 2.92Å; C2748-F2755 HydrophobicContact CB-CE2 4.49Å; C2748-F2755 HydrophobicContact CB-CZ 4.46Å; C2748-F2755 WeakPolarHBondContact SG-CE2 3.5Å; C2748-F2755 WeakPolarHBondContact SG-CZ 3.43Å; C2748-L2769 HydrophobicContact CB-CD1 4.21Å; C2748-V2770 PolarHBondContact N-O 3.1Å; C2748-T2771 CarbonylContact O-C 3.57Å; C2748-T2771 VanDerWaalsContact O-CA 3.29Å; C2748-T2771 WeakPolarHBondContact O-CA 3.11Å; C2748-G2772 PolarHBondContact O-N 3.1Å; C2748-I2817 HydrophobicContact CB-CD1 3.99Å
2749	K	89.2	Confident	91.2	Very high	88.6667 Å²	88.6667	41.9 Å²	41.9	39%	0.386	20%	0.196	S	C	.	.			trans	-88.4	-22.2	-178.7	-141.8	-178.8	170.9	175.6	0	114.3	C2715 E2716 E2719 F2747 Q2774 S2775 I2878	C2715-K2749 PolarHBondContact O-N 3.07Å; E2716-K2749 HydrophobicContact CG-CB 4.23Å; E2716-K2749 HydrophobicContact CG-CD 3.93Å; E2716-K2749 HydrophobicContact CG-CG 4.14Å; E2716-K2749 WeakPolarHBondContact OE1-CD 3.32Å; E2716-K2749 WeakPolarHBondContact OE1-CE 3.35Å; E2716-K2749 IonicContact OE1-NZ 3.08Å; E2716-K2749 PolarHBondContact OE1-NZ 3.08Å; E2716-K2749 VanDerWaalsContact OE2-CD 3.32Å; E2716-K2749 WeakPolarHBondContact OE2-CD 3.2Å; E2716-K2749 IonicContact OE2-NZ 2.93Å; E2716-K2749 PolarHBondContact OE2-NZ 2.94Å; E2719-K2749 VanDerWaalsContact OE1-O 3.12Å; F2747-K2749 HydrophobicContact CE1-CB 4.27Å; F2747-K2749 HydrophobicContact CE1-CD 4.24Å; F2747-K2749 HydrophobicContact CE1-CG 3.67Å; F2747-K2749 HydrophobicContact CZ-CG 4.14Å; K2749-Q2774 PolarHBondContact O-OE1 3.24Å; K2749-S2775 PolarHBondContact O-OG 3.27Å; K2749-I2878 WeakPolarHBondContact O-CD1 3.39Å
2750	N	87.5	Confident	91.3	Very high	11 Å²	11	40.4 Å²	40.4	6%	0.059	19%	0.187	C	C	.	.	S	Bend	trans	-111.4	144.5	-176.5	31.8	-4.2	0	0	0	112.2	E2716 G2717 D2718 E2719 C2748 K2752 N2753	E2716-N2750 VanDerWaalsContact C-OD1 3.25Å; E2716-N2750 WeakPolarHBondContact CA-OD1 3.47Å; G2717-N2750 WeakPolarHBondContact CA-ND2 3.4Å; G2717-N2750 PolarHBondContact N-OD1 2.81Å; G2717-N2750 PolarHBondContact O-ND2 2.73Å; G2717-N2750 PolarHBondContact O-OD1 2.83Å; D2718-N2750 PolarHBondContact O-ND2 3.2Å; E2719-N2750 VanDerWaalsContact CD-CB 3.48Å; E2719-N2750 HydrophobicContact CG-CB 3.88Å; E2719-N2750 VanDerWaalsContact OE1-CA 3.3Å; E2719-N2750 WeakPolarHBondContact OE1-CA 3.35Å; E2719-N2750 WeakPolarHBondContact OE1-CB 3.37Å; C2748-N2750 PolarHBondContact SG-O 3.3Å; C2748-N2750 VanDerWaalsContact SG-O 3.35Å; N2750-K2752 VanDerWaalsContact C-N 3.34Å; N2750-K2752 PolarHBondContact O-N 3.05Å; N2750-N2753 VanDerWaalsContact CG-ND2 3.35Å; N2750-N2753 PolarHBondContact O-ND2 3.15Å; N2750-N2753 PolarHBondContact OD1-ND2 3.06Å
2751	S	86.9	Confident	91.7	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.021	16%	0.163	C	C	.	.	S	Bend	trans	-74	-21.3	-177	67.3	0	0	0	0	114.7	E2719 N2753 R2813 D2815 Q2816 I2817	E2719-S2751 VanDerWaalsContact CD-N 3.28Å; E2719-S2751 PolarHBondContact OE1-N 2.8Å; E2719-S2751 PolarHBondContact OE1-OG 3.21Å; E2719-S2751 PolarHBondContact OE2-N 2.93Å; E2719-S2751 VanDerWaalsContact OE2-N 3.1Å; E2719-S2751 PolarHBondContact OE2-OG 3.17Å; S2751-N2753 VanDerWaalsContact C-N 3.33Å; S2751-N2753 PolarHBondContact O-N 3.31Å; S2751-R2813 PolarHBondContact OG-NH1 3.41Å; S2751-R2813 PolarHBondContact OG-NH2 2.87Å; S2751-D2815 WeakPolarHBondContact OG-CB 3.29Å; S2751-D2815 PolarHBondContact OG-OD2 3.36Å; S2751-Q2816 CarbonylContact O-C 3.57Å; S2751-I2817 VanDerWaalsContact O-CA 3.25Å; S2751-I2817 WeakPolarHBondContact O-CA 3.32Å; S2751-I2817 WeakPolarHBondContact O-CG1 3.43Å; S2751-I2817 PolarHBondContact O-N 3.22Å
2752	K	88.5	Confident	92	Very high	36.6667 Å²	36.6667	31.1 Å²	31.1	16%	0.159	13%	0.129	C	C	.	.			trans	-81.9	30.4	-175.8	-61.5	-88.5	-175.8	-173	0	114.5	L2721 Y2724 S2725 N2750 D2815	L2721-K2752 VanDerWaalsContact O-CD 3.28Å; L2721-K2752 WeakPolarHBondContact O-CD 3.36Å; L2721-K2752 VanDerWaalsContact O-CE 3.31Å; L2721-K2752 WeakPolarHBondContact O-CE 3.32Å; L2721-K2752 PolarHBondContact O-NZ 2.73Å; Y2724-K2752 WeakPolarHBondContact CA-O 3.4Å; Y2724-K2752 WeakPolarHBondContact CB-O 3.48Å; Y2724-K2752 HydrophobicContact CD1-CB 4.24Å; Y2724-K2752 HydrophobicContact CD1-CD 4.08Å; Y2724-K2752 HydrophobicContact CE1-CD 3.59Å; Y2724-K2752 PolarHBondContact OH-NZ 3.04Å; S2725-K2752 PolarHBondContact N-O 3.24Å; N2750-K2752 VanDerWaalsContact C-N 3.34Å; N2750-K2752 PolarHBondContact O-N 3.05Å; K2752-D2815 VanDerWaalsContact CE-OD2 3.28Å; K2752-D2815 WeakPolarHBondContact CE-OD2 3.39Å; K2752-D2815 IonicContact NZ-OD2 3.06Å; K2752-D2815 PolarHBondContact NZ-OD2 3.01Å
2753	N	92.3	Very high	92.1	Very high	4.33333 Å²	4.33333	34.1 Å²	34.1	2%	0.023	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.5	178.5	-64.6	-57.7	0	0	0	111.4	S2725 Y2727 C2748 N2750 S2751 F2755 I2817 D2818	S2725-N2753 VanDerWaalsContact CB-OD1 3.28Å; S2725-N2753 WeakPolarHBondContact CB-OD1 3.29Å; S2725-N2753 WeakPolarHBondContact O-CA 3.33Å; Y2727-N2753 HydrophobicContact CE2-CB 4.43Å; Y2727-N2753 WeakPolarHBondContact CE2-OD1 3.42Å; C2748-N2753 VanDerWaalsContact SG-CG 3.57Å; C2748-N2753 PolarHBondContact SG-ND2 2.92Å; N2750-N2753 VanDerWaalsContact CG-ND2 3.35Å; N2750-N2753 PolarHBondContact O-ND2 3.15Å; N2750-N2753 PolarHBondContact OD1-ND2 3.06Å; S2751-N2753 VanDerWaalsContact C-N 3.33Å; S2751-N2753 PolarHBondContact O-N 3.31Å; N2753-F2755 HydrophobicContact CB-CD2 4.45Å; N2753-F2755 HydrophobicContact CB-CE2 3.74Å; N2753-F2755 HydrophobicContact CB-CZ 4.27Å; N2753-I2817 WeakPolarHBondContact O-CG2 3.11Å; N2753-D2818 PolarHBondContact O-N 3.28Å
2754	I	94.6	Very high	92.1	Very high	31.3333 Å²	31.3333	33.6 Å²	33.6	16%	0.161	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.2	178.8	-58.8	176	0	0	0	108.6	Y2724 S2725 Y2727 R2756 D2818	Y2724-I2754 HydrophobicContact CD1-CD1 4.04Å; Y2724-I2754 HydrophobicContact CD1-CG1 3.96Å; Y2724-I2754 HydrophobicContact CD2-CD1 3.96Å; Y2724-I2754 VanDerWaalsContact CD2-CD1 3.45Å; Y2724-I2754 HydrophobicContact CD2-CG1 4.12Å; Y2724-I2754 HydrophobicContact CE2-CD1 3.63Å; Y2724-I2754 HydrophobicContact CG-CD1 3.93Å; Y2724-I2754 HydrophobicContact CG-CG1 4.17Å; S2725-I2754 PolarHBondContact O-N 3.1Å; Y2727-I2754 PolarHBondContact N-O 3.02Å; I2754-R2756 HydrophobicContact CG2-CG 3.74Å; I2754-D2818 CarbonylContact C-O 3.55Å; I2754-D2818 WeakPolarHBondContact CA-O 3.41Å; I2754-D2818 HydrophobicContact CB-CB 4.5Å; I2754-D2818 HydrophobicContact CG1-CB 4.24Å; I2754-D2818 HydrophobicContact CG2-CB 4.31Å
2755	F	95.4	Very high	92	Very high	1.66667 Å²	1.66667	33.6 Å²	33.6	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	112.1	172.9	-62	-86.6	0	0	0	108.7	L2713 Y2727 I2746 C2748 N2753 L2769 I2817 D2818 A2819 N2822	L2713-F2755 HydrophobicContact CD2-CE1 4.46Å; Y2727-F2755 VanDerWaalsContact CB-CD1 3.45Å; Y2727-F2755 HydrophobicContact CD1-CE1 4.21Å; Y2727-F2755 HydrophobicContact CD2-CD1 4.12Å; Y2727-F2755 AromaticContact CD2-CE1 3.57Å; Y2727-F2755 HydrophobicContact CD2-CE1 3.57Å; Y2727-F2755 HydrophobicContact CD2-CE2 4.42Å; Y2727-F2755 AromaticContact CD2-CZ 3.77Å; Y2727-F2755 HydrophobicContact CD2-CZ 3.77Å; Y2727-F2755 HydrophobicContact CE2-CE1 4.31Å; Y2727-F2755 HydrophobicContact CE2-CZ 4.2Å; Y2727-F2755 AromaticContact CG-CD1 3.93Å; Y2727-F2755 HydrophobicContact CG-CD1 3.93Å; Y2727-F2755 AromaticContact CG-CE1 3.52Å; Y2727-F2755 HydrophobicContact CG-CE1 3.52Å; Y2727-F2755 VanDerWaalsContact CG-CE1 3.48Å; Y2727-F2755 HydrophobicContact CG-CZ 4.2Å; Y2727-F2755 VanDerWaalsContact O-CA 3.28Å; Y2727-F2755 WeakPolarHBondContact O-CA 3.17Å; I2746-F2755 HydrophobicContact CD1-CD1 3.96Å; I2746-F2755 HydrophobicContact CD1-CE1 3.72Å; I2746-F2755 HydrophobicContact CD1-CZ 4.47Å; I2746-F2755 HydrophobicContact CG2-CE1 4.06Å; I2746-F2755 HydrophobicContact CG2-CZ 3.96Å; C2748-F2755 HydrophobicContact CB-CE2 4.49Å; C2748-F2755 HydrophobicContact CB-CZ 4.46Å; C2748-F2755 WeakPolarHBondContact SG-CE2 3.5Å; C2748-F2755 WeakPolarHBondContact SG-CZ 3.43Å; N2753-F2755 HydrophobicContact CB-CD2 4.45Å; N2753-F2755 HydrophobicContact CB-CE2 3.74Å; N2753-F2755 HydrophobicContact CB-CZ 4.27Å; F2755-L2769 HydrophobicContact CE2-CD1 4.45Å; F2755-I2817 HydrophobicContact CD2-CG2 3.71Å; F2755-I2817 HydrophobicContact CE2-CG2 3.88Å; F2755-D2818 PolarHBondContact N-O 2.9Å; F2755-A2819 HydrophobicContact CB-CB 4.44Å; F2755-A2819 CarbonylContact O-C 3.54Å; F2755-A2819 VanDerWaalsContact O-CA 3.3Å; F2755-A2819 WeakPolarHBondContact O-CA 3.27Å; F2755-N2822 PolarHBondContact O-ND2 2.81Å
2756	R	93.7	Very high	91.9	Very high	84 Å²	84	37.2 Å²	37.2	32%	0.317	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	145.1	179.2	-68.1	-179.6	176.2	-172.8	-2	112.9	Y2727 Q2728 K2729 I2754 N2758 D2818 Q2820 N2822	Y2727-R2756 PolarHBondContact O-N 2.93Å; Y2727-R2756 VanDerWaalsContact O-N 3.07Å; Q2728-R2756 CarbonylContact C-O 3.45Å; Q2728-R2756 WeakPolarHBondContact CA-O 3.46Å; Q2728-R2756 VanDerWaalsContact CB-O 3.29Å; Q2728-R2756 WeakPolarHBondContact CB-O 3.27Å; K2729-R2756 PolarHBondContact N-O 3.02Å; K2729-R2756 VanDerWaalsContact N-O 3.14Å; I2754-R2756 HydrophobicContact CG2-CG 3.74Å; R2756-N2758 PolarHBondContact N-ND2 3.03Å; R2756-N2758 VanDerWaalsContact N-ND2 3.18Å; R2756-N2758 PolarHBondContact O-N 3.17Å; R2756-N2758 VanDerWaalsContact O-N 3.16Å; R2756-N2758 PolarHBondContact O-ND2 3.11Å; R2756-D2818 IonicContact CZ-OD2 3.4Å; R2756-D2818 IonicContact NE-OD1 3.48Å; R2756-D2818 IonicContact NE-OD2 3.2Å; R2756-D2818 PolarHBondContact NE-OD2 2.87Å; R2756-D2818 IonicContact NH2-OD2 3.21Å; R2756-D2818 PolarHBondContact NH2-OD2 2.5Å; R2756-Q2820 WeakPolarHBondContact CG-O 3.28Å; R2756-N2822 VanDerWaalsContact C-OD1 3.24Å; R2756-N2822 WeakPolarHBondContact CA-OD1 3.18Å; R2756-N2822 PolarHBondContact N-OD1 3.02Å
2757	Y	93.6	Very high	91.8	Very high	85 Å²	85	40.1 Å²	40.1	33%	0.333	18%	0.181	S	C	.	.	S	Bend	trans	58.5	22.3	177.7	-46.3	-77.3	0	0	0	114.4	K2729 Y2821 N2822 Y2886	K2729-Y2757 VanDerWaalsContact CA-O 3.29Å; K2729-Y2757 WeakPolarHBondContact CA-O 3.26Å; K2729-Y2757 PolarHBondContact N-O 2.8Å; Y2757-Y2821 WeakPolarHBondContact CA-O 3.27Å; Y2757-Y2821 HydrophobicContact CE1-CG 4.48Å; Y2757-Y2821 PolarHBondContact N-O 3.25Å; Y2757-N2822 PolarHBondContact N-OD1 3.01Å; Y2757-Y2886 HydrophobicContact CD1-CE2 4.08Å; Y2757-Y2886 WeakPolarHBondContact CD1-OH 3.34Å; Y2757-Y2886 VanDerWaalsContact CE1-OH 3.27Å; Y2757-Y2886 WeakPolarHBondContact CE1-OH 3.26Å
2758	N	94.5	Very high	91.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.172	C	C	.	.			trans	-83.5	148.4	176.8	-57.8	-73.6	0	0	0	110.7	Y2727 K2729 N2730 R2756 F2760 N2822 W2823	Y2727-N2758 PolarHBondContact O-ND2 2.89Å; K2729-N2758 PolarHBondContact N-OD1 2.96Å; N2730-N2758 WeakPolarHBondContact CB-OD1 3.4Å; N2730-N2758 PolarHBondContact N-OD1 3.12Å; N2730-N2758 PolarHBondContact ND2-OD1 3.2Å; N2730-N2758 WeakPolarHBondContact O-CA 3.21Å; R2756-N2758 PolarHBondContact N-ND2 3.03Å; R2756-N2758 VanDerWaalsContact N-ND2 3.18Å; R2756-N2758 PolarHBondContact O-N 3.17Å; R2756-N2758 VanDerWaalsContact O-N 3.16Å; R2756-N2758 PolarHBondContact O-ND2 3.11Å; N2758-F2760 HydrophobicContact CB-CD2 4.19Å; N2758-F2760 HydrophobicContact CB-CE1 4.47Å; N2758-F2760 HydrophobicContact CB-CE2 3.53Å; N2758-F2760 VanDerWaalsContact CB-CE2 3.48Å; N2758-F2760 HydrophobicContact CB-CZ 3.7Å; N2758-N2822 WeakPolarHBondContact CB-OD1 3.44Å; N2758-N2822 PolarHBondContact N-OD1 2.71Å; N2758-N2822 PolarHBondContact ND2-OD1 3.01Å; N2758-N2822 VanDerWaalsContact ND2-OD1 3.13Å; N2758-W2823 PolarHBondContact O-N 3.26Å; N2758-W2823 VanDerWaalsContact O-N 3.08Å
2759	Y	92.9	Very high	91.8	Very high	15 Å²	15	37.9 Å²	37.9	6%	0.059	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.7	174.9	178.4	-80.2	0	0	0	108.3	N2730 F2732 Y2733 R2761 W2823 N2889 L2893 P2901	N2730-Y2759 PolarHBondContact O-N 2.78Å; F2732-Y2759 PolarHBondContact N-O 3Å; Y2733-Y2759 AromaticContact CD2-CE1 3.9Å; Y2733-Y2759 HydrophobicContact CD2-CE1 3.95Å; Y2733-Y2759 HydrophobicContact CG-CE1 4.26Å; Y2759-R2761 HydrophobicContact CE1-CB 3.93Å; Y2759-W2823 HydrophobicContact CD1-CE3 4.45Å; Y2759-W2823 HydrophobicContact CD1-CZ3 4.37Å; Y2759-W2823 HydrophobicContact CD2-CD2 4.42Å; Y2759-W2823 AromaticContact CD2-CE3 3.46Å; Y2759-W2823 HydrophobicContact CD2-CE3 3.46Å; Y2759-W2823 VanDerWaalsContact CD2-CE3 3.46Å; Y2759-W2823 AromaticContact CD2-CZ3 3.69Å; Y2759-W2823 HydrophobicContact CD2-CZ3 3.69Å; Y2759-W2823 HydrophobicContact CE1-CE3 4.45Å; Y2759-W2823 AromaticContact CE1-CZ3 3.93Å; Y2759-W2823 HydrophobicContact CE1-CZ3 3.93Å; Y2759-W2823 HydrophobicContact CE2-CD2 4.45Å; Y2759-W2823 AromaticContact CE2-CE3 3.44Å; Y2759-W2823 HydrophobicContact CE2-CE3 3.44Å; Y2759-W2823 VanDerWaalsContact CE2-CE3 3.44Å; Y2759-W2823 AromaticContact CE2-CH2 3.97Å; Y2759-W2823 HydrophobicContact CE2-CH2 3.97Å; Y2759-W2823 AromaticContact CE2-CZ3 3.15Å; Y2759-W2823 HydrophobicContact CE2-CZ3 3.15Å; Y2759-W2823 AromaticContact CG-CE3 3.99Å; Y2759-W2823 HydrophobicContact CG-CE3 4Å; Y2759-W2823 HydrophobicContact CG-CZ3 4.26Å; Y2759-W2823 AromaticContact CZ-CE3 3.99Å; Y2759-W2823 AromaticContact CZ-CZ3 3.29Å; Y2759-N2889 HydrophobicContact CE2-CB 4.1Å; Y2759-L2893 HydrophobicContact CD2-CD1 4.21Å; Y2759-L2893 HydrophobicContact CD2-CD2 4.12Å; Y2759-L2893 HydrophobicContact CD2-CG 4.21Å; Y2759-L2893 HydrophobicContact CE2-CD1 3.94Å; Y2759-L2893 HydrophobicContact CE2-CG 4.44Å; Y2759-P2901 HydrophobicContact CD1-CB 3.99Å; Y2759-P2901 HydrophobicContact CD1-CG 3.75Å; Y2759-P2901 HydrophobicContact CD2-CB 4.48Å; Y2759-P2901 HydrophobicContact CE1-CG 4.03Å; Y2759-P2901 HydrophobicContact CG-CB 3.95Å; Y2759-P2901 HydrophobicContact CG-CG 4.25Å
2760	F	93.1	Very high	92.1	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120	177.4	-64.6	-70.9	0	0	0	110.6	F2732 T2745 I2746 N2758 E2768 N2822 W2823 W2824 G2825	F2732-F2760 HydrophobicContact CB-CD1 3.94Å; F2732-F2760 HydrophobicContact CB-CE1 4.35Å; F2732-F2760 AromaticContact CD2-CD1 3.74Å; F2732-F2760 HydrophobicContact CD2-CD1 3.74Å; F2732-F2760 AromaticContact CD2-CE1 3.32Å; F2732-F2760 HydrophobicContact CD2-CE1 3.32Å; F2732-F2760 HydrophobicContact CD2-CZ 4.18Å; F2732-F2760 AromaticContact CE2-CE1 3.71Å; F2732-F2760 HydrophobicContact CE2-CE1 3.71Å; F2732-F2760 HydrophobicContact CE2-CZ 4.29Å; F2732-F2760 HydrophobicContact CG-CD1 4.07Å; F2732-F2760 AromaticContact CG-CE1 3.97Å; F2732-F2760 HydrophobicContact CG-CE1 3.97Å; T2745-F2760 HydrophobicContact CG2-CD1 4.39Å; T2745-F2760 HydrophobicContact CG2-CE1 4.43Å; I2746-F2760 HydrophobicContact CD1-CE1 3.5Å; I2746-F2760 VanDerWaalsContact CD1-CE1 3.46Å; I2746-F2760 HydrophobicContact CD1-CZ 3.55Å; I2746-F2760 HydrophobicContact CG1-CE1 4.15Å; N2758-F2760 HydrophobicContact CB-CD2 4.19Å; N2758-F2760 HydrophobicContact CB-CE1 4.47Å; N2758-F2760 HydrophobicContact CB-CE2 3.53Å; N2758-F2760 VanDerWaalsContact CB-CE2 3.48Å; N2758-F2760 HydrophobicContact CB-CZ 3.7Å; F2760-E2768 HydrophobicContact CB-CB 4.34Å; F2760-E2768 HydrophobicContact CB-CG 3.98Å; F2760-E2768 HydrophobicContact CD1-CB 4.44Å; F2760-E2768 HydrophobicContact CG-CB 4.38Å; F2760-N2822 HydrophobicContact CD2-CB 4.34Å; F2760-N2822 HydrophobicContact CE2-CB 4.22Å; F2760-W2823 PolarHBondContact N-O 3.01Å; F2760-W2824 HydrophobicContact CB-CE3 4.46Å; F2760-W2824 HydrophobicContact CD2-CD2 4.34Å; F2760-W2824 AromaticContact CD2-CE3 3.85Å; F2760-W2824 HydrophobicContact CD2-CE3 3.85Å; F2760-W2824 HydrophobicContact CD2-CH2 4.37Å; F2760-W2824 AromaticContact CD2-CZ3 3.87Å; F2760-W2824 HydrophobicContact CD2-CZ3 3.87Å; F2760-W2824 HydrophobicContact CE2-CE3 4.33Å; F2760-W2824 HydrophobicContact CE2-CH2 4.16Å; F2760-W2824 AromaticContact CE2-CZ3 3.91Å; F2760-W2824 HydrophobicContact CE2-CZ3 4.02Å; F2760-W2824 HydrophobicContact CG-CE3 4.32Å; F2760-W2824 HydrophobicContact CG-CZ3 4.43Å; F2760-W2824 CarbonylContact O-C 3.55Å; F2760-W2824 VanDerWaalsContact O-C 3.28Å; F2760-G2825 PolarHBondContact O-N 3.04Å
2761	R	89.9	Confident	92.3	Very high	73 Å²	73	33.5 Å²	33.5	28%	0.275	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	86.5	171.3	-177.7	176.6	-178.5	-149.1	4	110.8	F2732 Y2733 N2734 Y2759 W2823 D2826	F2732-R2761 PolarHBondContact O-N 3.02Å; Y2733-R2761 HydrophobicContact CD2-CB 4.1Å; Y2733-R2761 HydrophobicContact CD2-CG 4.23Å; Y2733-R2761 HydrophobicContact CE2-CG 4.26Å; Y2733-R2761 PolarHBondContact OH-NH1 3.08Å; N2734-R2761 PolarHBondContact N-O 3.03Å; Y2759-R2761 HydrophobicContact CE1-CB 3.93Å; R2761-W2823 HydrophobicContact CB-CZ3 3.95Å; R2761-D2826 IonicContact CZ-OD2 3.28Å; R2761-D2826 IonicContact NE-OD2 3.58Å; R2761-D2826 IonicContact NH2-OD2 3.4Å
2762	N	92.5	Very high	92.4	Very high	0.666667 Å²	0.666667	33.6 Å²	33.6	0%	0.004	15%	0.154	C	C	.	.			trans	-124.2	90.1	177.6	-55.2	-66.9	0	0	0	109.7	F2732 N2734 N2735 T2745 L2764 N2765 E2768 R2867	F2732-N2762 PolarHBondContact O-ND2 2.89Å; N2734-N2762 PolarHBondContact N-OD1 2.81Å; N2735-N2762 WeakPolarHBondContact CB-OD1 3.31Å; N2735-N2762 PolarHBondContact N-OD1 3.08Å; N2735-N2762 PolarHBondContact ND2-OD1 3.15Å; N2735-N2762 VanDerWaalsContact ND2-OD1 3.09Å; T2745-N2762 PolarHBondContact OG1-ND2 2.94Å; T2745-N2762 VanDerWaalsContact OG1-ND2 3.13Å; N2762-L2764 PolarHBondContact O-N 3.16Å; N2762-N2765 HydrophobicContact CB-CB 4.08Å; N2762-N2765 WeakPolarHBondContact CB-ND2 3.27Å; N2762-N2765 PolarHBondContact O-N 2.95Å; N2762-N2765 VanDerWaalsContact O-N 3.11Å; N2762-E2768 PolarHBondContact N-OE1 3.15Å; N2762-E2768 PolarHBondContact ND2-OE2 3.15Å; N2762-R2867 PolarHBondContact O-NH2 2.87Å
2763	I	87.3	Confident	92.1	Very high	129 Å²	129	36.9 Å²	36.9	66%	0.662	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.6	-170.8	-59.3	169.9	0	0	0	112.3	N2765	I2763-N2765 VanDerWaalsContact C-N 3.31Å; I2763-N2765 PolarHBondContact O-N 3.44Å
2764	L	89.7	Confident	91.2	Very high	90 Å²	90	38.5 Å²	38.5	47%	0.471	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.8	-179.8	-60.4	179	0	0	0	113.8	Q2736 R2743 N2762	Q2736-L2764 HydrophobicContact CB-CD1 4.17Å; Q2736-L2764 HydrophobicContact CG-CB 4.17Å; Q2736-L2764 HydrophobicContact CG-CD1 4.05Å; R2743-L2764 WeakPolarHBondContact CD-O 2.97Å; N2762-L2764 PolarHBondContact O-N 3.16Å
2765	N	92.6	Very high	89.9	Confident	2.66667 Å²	2.66667	38.7 Å²	38.7	1%	0.014	19%	0.185	C	C	.	.			trans	-97.3	137.8	179.9	-62.2	-1	0	0	0	109.6	N2735 Q2736 A2737 T2745 N2762 I2763 R2867	N2735-N2765 PolarHBondContact O-OD1 3.14Å; Q2736-N2765 WeakPolarHBondContact CA-OD1 3.42Å; A2737-N2765 WeakPolarHBondContact CB-OD1 3.21Å; A2737-N2765 PolarHBondContact N-OD1 3.23Å; T2745-N2765 PolarHBondContact OG1-ND2 3.13Å; N2762-N2765 HydrophobicContact CB-CB 4.08Å; N2762-N2765 WeakPolarHBondContact CB-ND2 3.27Å; N2762-N2765 PolarHBondContact O-N 2.95Å; N2762-N2765 VanDerWaalsContact O-N 3.11Å; I2763-N2765 VanDerWaalsContact C-N 3.31Å; I2763-N2765 PolarHBondContact O-N 3.44Å; N2765-R2867 PolarHBondContact O-NH1 3.03Å; N2765-R2867 PolarHBondContact O-NH2 3.3Å
2766	D	91.5	Very high	88.5	Confident	76.3333 Å²	76.3333	40.8 Å²	40.8	41%	0.408	20%	0.196	S	C	.	.	S	Bend	trans	-68.1	-45.1	178.5	-51	-38.5	0	0	0	109.8	R2743 R2867	R2743-D2766 HydrophobicContact CB-CB 4.38Å; R2743-D2766 WeakPolarHBondContact CB-OD2 3.24Å; R2743-D2766 WeakPolarHBondContact CG-OD2 3.3Å; R2743-D2766 PolarHBondContact N-OD2 3.12Å; R2743-D2766 PolarHBondContact O-N 2.94Å; D2766-R2867 PolarHBondContact O-NH1 3.16Å
2767	Y	93.7	Very high	87.1	Confident	60.6667 Å²	60.6667	40.1 Å²	40.1	24%	0.238	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.3	-178.8	-54.4	-79.5	0	0	0	111.5	K2742 R2743 T2744 T2745 V2770 Y2869	K2742-Y2767 HydrophobicContact CB-CD2 4.44Å; R2743-Y2767 PolarHBondContact O-N 2.8Å; T2744-Y2767 VanDerWaalsContact CA-O 3.3Å; T2744-Y2767 WeakPolarHBondContact CA-O 3.24Å; T2745-Y2767 PolarHBondContact N-O 2.92Å; T2745-Y2767 VanDerWaalsContact N-O 3.15Å; Y2767-V2770 HydrophobicContact CD2-CG2 4.26Å; Y2767-V2770 HydrophobicContact CG-CG2 4.16Å; Y2767-Y2869 AromaticContact CE1-CD2 3.89Å; Y2767-Y2869 HydrophobicContact CE1-CD2 3.89Å; Y2767-Y2869 HydrophobicContact CE1-CG 4.49Å; Y2767-Y2869 HydrophobicContact CE2-CD2 4.14Å; Y2767-Y2869 AromaticContact CZ-CD2 3.65Å
2768	E	94	Very high	85.8	Confident	0.666667 Å²	0.666667	37.5 Å²	37.5	0%	0.003	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-31.6	171.7	-63.2	-68.1	176.1	0	0	111.6	T2745 I2746 F2760 N2762 W2824 R2867	T2745-E2768 VanDerWaalsContact CB-O 3.32Å; T2745-E2768 WeakPolarHBondContact CB-O 3.26Å; T2745-E2768 VanDerWaalsContact CB-OE2 3.26Å; T2745-E2768 WeakPolarHBondContact CB-OE2 3.35Å; T2745-E2768 PolarHBondContact OG1-OE2 3.08Å; I2746-E2768 WeakPolarHBondContact CB-O 3.34Å; I2746-E2768 PolarHBondContact N-O 3.12Å; F2760-E2768 HydrophobicContact CB-CB 4.34Å; F2760-E2768 HydrophobicContact CB-CG 3.98Å; F2760-E2768 HydrophobicContact CD1-CB 4.44Å; F2760-E2768 HydrophobicContact CG-CB 4.38Å; N2762-E2768 PolarHBondContact N-OE1 3.15Å; N2762-E2768 PolarHBondContact ND2-OE2 3.15Å; E2768-W2824 HydrophobicContact CB-CE3 3.77Å; E2768-W2824 HydrophobicContact CB-CZ3 3.72Å; E2768-W2824 HydrophobicContact CG-CE3 4.27Å; E2768-R2867 HydrophobicContact CG-CB 4.28Å; E2768-R2867 PolarHBondContact N-O 2.95Å; E2768-R2867 IonicContact OE1-CZ 3.21Å; E2768-R2867 IonicContact OE1-NE 3.09Å; E2768-R2867 IonicContact OE1-NH2 3.71Å; E2768-R2867 PolarHBondContact OE1-NH2 3.36Å
2769	L	94.9	Very high	84.6	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126.2	177.6	176.4	64.9	0	0	0	110.3	I2746 C2748 F2755 A2819 W2824 R2867 I2868 Y2869 V2880	I2746-L2769 HydrophobicContact CB-CD1 3.81Å; I2746-L2769 HydrophobicContact CG2-CD1 3.64Å; I2746-L2769 CarbonylContact O-C 3.55Å; I2746-L2769 WeakPolarHBondContact O-CA 3.41Å; C2748-L2769 HydrophobicContact CB-CD1 4.21Å; F2755-L2769 HydrophobicContact CE2-CD1 4.45Å; L2769-A2819 HydrophobicContact CD2-CB 4.35Å; L2769-W2824 HydrophobicContact CB-CH2 4.09Å; L2769-W2824 HydrophobicContact CB-CZ3 4.08Å; L2769-W2824 HydrophobicContact CD2-CH2 4.17Å; L2769-R2867 PolarHBondContact N-O 3.18Å; L2769-I2868 HydrophobicContact CB-CG1 4.31Å; L2769-I2868 HydrophobicContact CD2-CG2 4.45Å; L2769-I2868 CarbonylContact O-C 3.52Å; L2769-I2868 VanDerWaalsContact O-CA 3.29Å; L2769-I2868 WeakPolarHBondContact O-CA 3.23Å; L2769-Y2869 PolarHBondContact O-N 3.22Å; L2769-V2880 HydrophobicContact CD2-CG1 3.96Å; L2769-V2880 HydrophobicContact CD2-CG2 4.08Å
2770	V	94.5	Very high	83.4	Confident	5.33333 Å²	5.33333	43.1 Å²	43.1	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.3	172.4	175.8	0	0	0	0	108.3	K2742 T2744 I2746 F2747 C2748 Y2767 Y2869	K2742-V2770 HydrophobicContact CD-CG1 4.42Å; T2744-V2770 VanDerWaalsContact CB-CG2 3.46Å; T2744-V2770 HydrophobicContact CG2-CB 4.1Å; T2744-V2770 HydrophobicContact CG2-CG2 3.68Å; T2744-V2770 WeakPolarHBondContact OG1-CG2 3.29Å; I2746-V2770 PolarHBondContact O-N 3.03Å; F2747-V2770 CarbonylContact C-O 3.52Å; F2747-V2770 VanDerWaalsContact CA-O 3.3Å; F2747-V2770 WeakPolarHBondContact CA-O 3.21Å; F2747-V2770 HydrophobicContact CD2-CB 4.1Å; F2747-V2770 HydrophobicContact CD2-CG1 3.85Å; F2747-V2770 HydrophobicContact CE2-CG1 4.03Å; C2748-V2770 PolarHBondContact N-O 3.1Å; Y2767-V2770 HydrophobicContact CD2-CG2 4.26Å; Y2767-V2770 HydrophobicContact CG-CG2 4.16Å; V2770-Y2869 HydrophobicContact CG1-CD1 4.36Å
2771	T	93	Very high	82.1	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	155.1	177	62.8	0	0	0	0	112	C2748 I2817 Y2869 D2870 L2877 I2878 V2880	C2748-T2771 CarbonylContact O-C 3.57Å; C2748-T2771 VanDerWaalsContact O-CA 3.29Å; C2748-T2771 WeakPolarHBondContact O-CA 3.11Å; T2771-I2817 HydrophobicContact CG2-CD1 3.66Å; T2771-Y2869 PolarHBondContact N-O 3.27Å; T2771-Y2869 VanDerWaalsContact N-O 3.08Å; T2771-Y2869 PolarHBondContact OG1-O 3.02Å; T2771-D2870 HydrophobicContact CG2-CB 4.4Å; T2771-L2877 WeakPolarHBondContact O-CD2 3.35Å; T2771-L2877 WeakPolarHBondContact OG1-CB 3.38Å; T2771-I2878 WeakPolarHBondContact CB-O 3.4Å; T2771-I2878 HydrophobicContact CG2-CB 4.42Å; T2771-I2878 WeakPolarHBondContact CG2-O 3.02Å; T2771-I2878 PolarHBondContact OG1-N 2.9Å; T2771-I2878 PolarHBondContact OG1-O 3.14Å; T2771-V2880 HydrophobicContact CG2-CG2 3.37Å
2772	G	87.8	Confident	80.9	Confident	4.33333 Å²	4.33333	47.3 Å²	47.3	5%	0.045	26%	0.259	C	S	.	.			trans	-83.3	171.2	170	0	0	0	0	0	112.6	C2748 Q2774 L2877 I2878	C2748-G2772 PolarHBondContact O-N 3.1Å; G2772-Q2774 PolarHBondContact O-N 3.07Å; G2772-L2877 VanDerWaalsContact C-CD2 3.48Å; G2772-I2878 WeakPolarHBondContact O-CG1 3.49Å; G2772-I2878 PolarHBondContact O-N 3.26Å; G2772-I2878 VanDerWaalsContact O-N 3.07Å
2773	N	83	Confident	79.3	Confident	106 Å²	106	54.3 Å²	54.3	57%	0.567	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-65	137	173.9	-91.7	3.2	0	0	0	110.4	S2775 Y2876 L2877	N2773-S2775 PolarHBondContact O-N 3.26Å; N2773-S2775 VanDerWaalsContact O-N 3.1Å; N2773-Y2876 CarbonylContact C-O 3.47Å; N2773-Y2876 WeakPolarHBondContact CA-O 2.98Å; N2773-Y2876 PolarHBondContact OD1-O 3.18Å; N2773-L2877 HydrophobicContact CB-CD2 4.29Å
2774	Q	73.5	Confident	78	Confident	39 Å²	39	52.9 Å²	52.9	18%	0.182	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-86.3	97.3	172.7	-84.8	173.9	11.9	0	0	111.9	E2719 K2749 G2772 I2776 Y2876 L2877 I2878	E2719-Q2774 PolarHBondContact OE1-OE1 3.2Å; K2749-Q2774 PolarHBondContact O-OE1 3.24Å; G2772-Q2774 PolarHBondContact O-N 3.07Å; Q2774-I2776 VanDerWaalsContact C-N 3.25Å; Q2774-I2776 PolarHBondContact O-N 3.22Å; Q2774-I2776 VanDerWaalsContact O-N 3.15Å; Q2774-Y2876 WeakPolarHBondContact CG-O 3.12Å; Q2774-Y2876 PolarHBondContact N-O 3.21Å; Q2774-L2877 WeakPolarHBondContact CG-O 3.34Å; Q2774-L2877 PolarHBondContact NE2-O 2.8Å; Q2774-I2878 HydrophobicContact CB-CD1 4.29Å; Q2774-I2878 HydrophobicContact CG-CG1 4.18Å
2775	S	67.7	Low	76.7	Confident	36 Å²	36	52.3 Å²	52.3	25%	0.252	31%	0.309	S	S	.	.	S	Bend	trans	-71.8	18.5	-176.3	-58.5	0	0	0	0	113.3	E2719 K2749 N2773 Y2812 Y2876 L2877	E2719-S2775 VanDerWaalsContact CD-CB 3.48Å; E2719-S2775 WeakPolarHBondContact CG-OG 3.46Å; E2719-S2775 VanDerWaalsContact OE1-CB 3.3Å; E2719-S2775 WeakPolarHBondContact OE1-CB 3.49Å; E2719-S2775 PolarHBondContact OE1-OG 3.36Å; E2719-S2775 PolarHBondContact OE2-OG 3.45Å; K2749-S2775 PolarHBondContact O-OG 3.27Å; N2773-S2775 PolarHBondContact O-N 3.26Å; N2773-S2775 VanDerWaalsContact O-N 3.1Å; S2775-Y2812 WeakPolarHBondContact O-CA 3.36Å; S2775-Y2812 WeakPolarHBondContact O-CB 3.47Å; S2775-Y2876 PolarHBondContact OG-O 2.93Å; S2775-L2877 VanDerWaalsContact OG-C 3.3Å; S2775-L2877 PolarHBondContact OG-O 3.48Å
2776	I	64.3	Low	75.4	Confident	44.3333 Å²	44.3333	58.5 Å²	58.5	23%	0.227	34%	0.336	C	S	.	.			trans	-122.4	115.2	-175.5	-47.4	178.5	0	0	0	110.4	F2379 E2719 Q2774 V2779 W2800 I2810 C2811 Y2812 Y2876	F2379-I2776 HydrophobicContact CE1-CG2 3.79Å; F2379-I2776 HydrophobicContact CZ-CG2 4.04Å; E2719-I2776 HydrophobicContact CB-CD1 4.14Å; E2719-I2776 HydrophobicContact CB-CG1 4.46Å; Q2774-I2776 VanDerWaalsContact C-N 3.25Å; Q2774-I2776 PolarHBondContact O-N 3.22Å; Q2774-I2776 VanDerWaalsContact O-N 3.15Å; I2776-V2779 HydrophobicContact CG2-CG2 3.92Å; I2776-W2800 HydrophobicContact CB-CH2 3.89Å; I2776-W2800 HydrophobicContact CB-CZ3 4.24Å; I2776-W2800 HydrophobicContact CD1-CZ2 4.46Å; I2776-W2800 HydrophobicContact CG2-CH2 3.32Å; I2776-W2800 HydrophobicContact CG2-CZ2 4.15Å; I2776-W2800 HydrophobicContact CG2-CZ3 3.94Å; I2776-I2810 HydrophobicContact CB-CG2 3.99Å; I2776-I2810 HydrophobicContact CD1-CD1 4.05Å; I2776-I2810 HydrophobicContact CD1-CG2 3.55Å; I2776-I2810 HydrophobicContact CG1-CG2 3.44Å; I2776-I2810 VanDerWaalsContact CG1-CG2 3.44Å; I2776-I2810 HydrophobicContact CG2-CG2 3.58Å; I2776-C2811 WeakPolarHBondContact CA-O 3.41Å; I2776-Y2812 WeakPolarHBondContact O-CA 3.33Å; I2776-Y2876 HydrophobicContact CD1-CD1 3.36Å; I2776-Y2876 HydrophobicContact CD1-CE1 3.43Å; I2776-Y2876 VanDerWaalsContact CD1-CE1 3.43Å; I2776-Y2876 HydrophobicContact CG1-CD1 4.38Å
2777	I	64.3	Low	74.2	Confident	70.6667 Å²	70.6667	62.9 Å²	62.9	36%	0.362	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-25.4	174	-73.7	173.3	0	0	0	109.2	V2779 P2797 W2800 I2810 C2811	I2777-V2779 HydrophobicContact CG2-CG2 4.11Å; I2777-P2797 HydrophobicContact CD1-CG 4.2Å; I2777-W2800 HydrophobicContact CB-CE3 4.21Å; I2777-W2800 HydrophobicContact CB-CH2 4.34Å; I2777-W2800 HydrophobicContact CB-CZ3 3.96Å; I2777-W2800 HydrophobicContact CD1-CD2 3.63Å; I2777-W2800 HydrophobicContact CD1-CE3 3.78Å; I2777-W2800 HydrophobicContact CD1-CH2 3.34Å; I2777-W2800 HydrophobicContact CD1-CZ2 3.1Å; I2777-W2800 HydrophobicContact CD1-CZ3 3.65Å; I2777-W2800 HydrophobicContact CG1-CD2 4.35Å; I2777-W2800 HydrophobicContact CG1-CE3 3.98Å; I2777-W2800 HydrophobicContact CG1-CH2 3.34Å; I2777-W2800 HydrophobicContact CG1-CZ2 3.71Å; I2777-W2800 HydrophobicContact CG1-CZ3 3.46Å; I2777-W2800 VanDerWaalsContact CG1-CZ3 3.46Å; I2777-I2810 HydrophobicContact CB-CG2 4.3Å; I2777-I2810 HydrophobicContact CG1-CG2 4.16Å; I2777-I2810 HydrophobicContact CG2-CB 4.45Å; I2777-I2810 HydrophobicContact CG2-CD1 4.23Å; I2777-I2810 HydrophobicContact CG2-CG1 4.06Å; I2777-I2810 HydrophobicContact CG2-CG2 3.7Å; I2777-C2811 PolarHBondContact N-O 3.44Å; I2777-C2811 VanDerWaalsContact N-O 3.08Å
2778	S	67.4	Low	73.2	Confident	29 Å²	29	60.9 Å²	60.9	20%	0.203	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.3	-179	60.9	0	0	0	0	110	L2780 W2800 C2811	S2778-L2780 PolarHBondContact O-N 2.91Å; S2778-W2800 WeakPolarHBondContact OG-CH2 3.35Å; S2778-C2811 PolarHBondContact N-O 2.69Å; S2778-C2811 PolarHBondContact O-N 3.15Å; S2778-C2811 WeakPolarHBondContact OG-CB 3.1Å; S2778-C2811 PolarHBondContact OG-SG 2.89Å; S2778-C2811 VanDerWaalsContact OG-SG 3.39Å
2779	V	67.9	Low	72.1	Confident	73 Å²	73	63.3 Å²	63.3	44%	0.442	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.3	172.3	-177.9	0	0	0	0	107.6	F2379 I2776 I2777 P2781 A2808 C2809 I2810	F2379-V2779 HydrophobicContact CE2-CG2 4.19Å; I2776-V2779 HydrophobicContact CG2-CG2 3.92Å; I2777-V2779 HydrophobicContact CG2-CG2 4.11Å; V2779-P2781 WeakPolarHBondContact O-CD 3.48Å; V2779-A2808 HydrophobicContact CG1-CB 3.76Å; V2779-A2808 VanDerWaalsContact CG1-CB 3.45Å; V2779-C2809 CarbonylContact C-O 3.24Å; V2779-C2809 WeakPolarHBondContact CA-O 3.42Å; V2779-I2810 HydrophobicContact CG2-CG1 4.37Å
2780	L	68.5	Low	70.6	Confident	61 Å²	61	69.6 Å²	69.6	32%	0.319	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.2	170	-98.3	156.8	0	0	0	107.7	S2778 I2782 P2789 W2800 L2802 C2809	S2778-L2780 PolarHBondContact O-N 2.91Å; L2780-I2782 HydrophobicContact CD2-CG1 4.09Å; L2780-I2782 PolarHBondContact O-N 3.36Å; L2780-P2789 HydrophobicContact CD2-CG 4.39Å; L2780-W2800 HydrophobicContact CB-CE3 4.16Å; L2780-W2800 HydrophobicContact CB-CH2 3.65Å; L2780-W2800 HydrophobicContact CB-CZ2 4.37Å; L2780-W2800 HydrophobicContact CB-CZ3 3.53Å; L2780-W2800 HydrophobicContact CD1-CH2 4.44Å; L2780-W2800 HydrophobicContact CD1-CZ2 4.45Å; L2780-L2802 HydrophobicContact CD1-CD1 3.97Å; L2780-C2809 HydrophobicContact CB-CB 3.86Å; L2780-C2809 HydrophobicContact CD1-CB 4.35Å; L2780-C2809 PolarHBondContact N-O 2.86Å; L2780-C2809 PolarHBondContact O-N 2.75Å
2781	P	65.6	Low	69	Low	118.333 Å²	118.333	71.7 Å²	71.7	77%	0.768	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.3	174.5	27.8	-32.5	0	0	0	109.3	V2779	V2779-P2781 WeakPolarHBondContact O-CD 3.48Å
2782	I	64.2	Low	67.2	Low	42.6667 Å²	42.6667	75 Å²	75	22%	0.219	44%	0.44	C	S	.	.			trans	-116.8	152.8	171.4	-25.2	168.3	0	0	0	108.3	L2780 F2786 L2804 D2807 C2809	L2780-I2782 HydrophobicContact CD2-CG1 4.09Å; L2780-I2782 PolarHBondContact O-N 3.36Å; I2782-F2786 HydrophobicContact CG2-CB 3.56Å; I2782-F2786 VanDerWaalsContact CG2-CB 3.42Å; I2782-F2786 HydrophobicContact CG2-CG 4.34Å; I2782-L2804 HydrophobicContact CD1-CD1 3.5Å; I2782-D2807 PolarHBondContact N-O 3.08Å; I2782-C2809 HydrophobicContact CD1-CB 3.97Å; I2782-C2809 WeakPolarHBondContact CD1-SG 3.41Å; I2782-C2809 HydrophobicContact CG1-CB 4.03Å
2783	Q	60	Low	65.7	Low	148.667 Å²	148.667	83.2 Å²	83.2	70%	0.695	47%	0.471	S	S	*	.			trans	-71	141.9	162.5	-69	178.9	-17.8	0	0	109.5	G2785 F2786	Q2783-G2785 PolarHBondContact O-N 3.03Å; Q2783-F2786 HydrophobicContact CB-CD2 3.94Å; Q2783-F2786 HydrophobicContact CB-CE2 4.16Å; Q2783-F2786 WeakPolarHBondContact O-CD2 3.48Å; Q2783-F2786 PolarHBondContact O-N 2.71Å
2784	S	58.8	Low	64.7	Low	99 Å²	99	84 Å²	84	69%	0.692	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	124.3	-179.3	31.9	0	0	0	0	111.7
2785	G	62.3	Low	64.2	Low	78.6667 Å²	78.6667	84.1 Å²	84.1	81%	0.811	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.4	-7	177.7	0	0	0	0	0	116.8	Q2783	Q2783-G2785 PolarHBondContact O-N 3.03Å
2786	F	65.9	Low	64.4	Low	132 Å²	132	82.9 Å²	82.9	58%	0.579	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-88.7	139.9	175.1	-74.3	-86.4	0	0	0	112.5	I2782 Q2783	I2782-F2786 HydrophobicContact CG2-CB 3.56Å; I2782-F2786 VanDerWaalsContact CG2-CB 3.42Å; I2782-F2786 HydrophobicContact CG2-CG 4.34Å; Q2783-F2786 HydrophobicContact CB-CD2 3.94Å; Q2783-F2786 HydrophobicContact CB-CE2 4.16Å; Q2783-F2786 WeakPolarHBondContact O-CD2 3.48Å; Q2783-F2786 PolarHBondContact O-N 2.71Å
2787	Q	67.7	Low	64.5	Low	168.333 Å²	168.333	84 Å²	84	79%	0.787	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-74.7	148.2	173.3	-68.1	-179.7	-9.2	0	0	111
2788	C	70.9	Confident	64.7	Low	18.6667 Å²	18.6667	88.2 Å²	88.2	13%	0.126	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-57.4	142.5	172.9	-75.1	0	0	0	0	112.3	T2790 W2800 L2802 L2804 C2809	C2788-T2790 PolarHBondContact O-N 3.13Å; C2788-T2790 VanDerWaalsContact O-N 3.13Å; C2788-W2800 HydrophobicContact CB-CB 3.84Å; C2788-L2802 HydrophobicContact CB-CB 4.34Å; C2788-L2802 HydrophobicContact CB-CD2 3.74Å; C2788-L2802 HydrophobicContact CB-CG 4.18Å; C2788-L2804 HydrophobicContact CB-CB 4.42Å; C2788-L2804 HydrophobicContact CB-CD1 3.99Å; C2788-L2804 HydrophobicContact CB-CG 4.4Å; C2788-C2809 WeakPolarHBondContact CA-SG 3.29Å; C2788-C2809 HydrophobicContact CB-CB 4.31Å; C2788-C2809 WeakPolarHBondContact CB-SG 3.5Å; C2788-C2809 WeakPolarHBondContact SG-CA 3.38Å; C2788-C2809 WeakPolarHBondContact SG-CB 3.38Å; C2788-C2809 CovalentContact SG-SG 2.03Å; C2788-C2809 PolarHBondContact SG-SG 3Å
2789	P	70.7	Confident	64.8	Low	50.3333 Å²	50.3333	89.3 Å²	89.3	33%	0.327	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-55.8	123.1	176.4	19.7	-28.3	0	0	0	109.6	L2780 S2791 Y2793 W2800 L2802	L2780-P2789 HydrophobicContact CD2-CG 4.39Å; P2789-S2791 PolarHBondContact O-N 2.95Å; P2789-Y2793 HydrophobicContact CB-CD2 3.92Å; P2789-Y2793 HydrophobicContact CB-CE2 3.55Å; P2789-Y2793 HydrophobicContact CG-CE2 4.46Å; P2789-W2800 HydrophobicContact CG-CG 4.1Å; P2789-L2802 HydrophobicContact CG-CD1 4.26Å; P2789-L2802 HydrophobicContact CG-CD2 3.94Å; P2789-L2802 WeakPolarHBondContact O-CD1 3.26Å; P2789-L2802 WeakPolarHBondContact O-CD2 3.42Å
2790	T	65.3	Low	65.1	Low	134 Å²	134	87.1 Å²	87.1	82%	0.822	50%	0.504	S	S	*	.	S	Bend	trans	-66.2	10.5	-177.6	50.9	0	0	0	0	111.7	C2788 P2792	C2788-T2790 PolarHBondContact O-N 3.13Å; C2788-T2790 VanDerWaalsContact O-N 3.13Å; T2790-P2792 WeakPolarHBondContact O-CD 3.49Å
2791	S	60.9	Low	65.3	Low	50.6667 Å²	50.6667	89.4 Å²	89.4	35%	0.354	51%	0.512	S	S	.	.			trans	-82.4	125.4	177.1	151.3	0	0	0	0	110.8	P2789 Y2793 T2794 S2795	P2789-S2791 PolarHBondContact O-N 2.95Å; S2791-Y2793 PolarHBondContact O-N 3.27Å; S2791-Y2793 PolarHBondContact OG-N 3.03Å; S2791-T2794 PolarHBondContact O-OG1 3.03Å; S2791-T2794 VanDerWaalsContact O-OG1 3.14Å; S2791-T2794 PolarHBondContact OG-OG1 3.15Å; S2791-S2795 PolarHBondContact O-OG 3.17Å; S2791-S2795 VanDerWaalsContact O-OG 3.12Å
2792	P	55.1	Low	65.7	Low	71 Å²	71	85.6 Å²	85.6	46%	0.461	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-83.4	4.4	151.5	28.6	-27.7	0	0	0	112.4	T2790 T2794 S2795 C2796	T2790-P2792 WeakPolarHBondContact O-CD 3.49Å; P2792-T2794 VanDerWaalsContact C-N 3.27Å; P2792-T2794 PolarHBondContact O-N 2.94Å; P2792-S2795 PolarHBondContact O-N 3.19Å; P2792-S2795 PolarHBondContact O-OG 2.77Å; P2792-C2796 PolarHBondContact O-N 2.98Å
2793	Y	55.9	Low	66.2	Low	176 Å²	176	87.7 Å²	87.7	69%	0.69	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-74.6	-1.7	177.2	-67.7	-78.1	0	0	0	112.6	L2373 P2789 S2791 S2795 C2796	L2373-Y2793 VanDerWaalsContact CD2-O 3.25Å; L2373-Y2793 WeakPolarHBondContact CD2-O 3.45Å; P2789-Y2793 HydrophobicContact CB-CD2 3.92Å; P2789-Y2793 HydrophobicContact CB-CE2 3.55Å; P2789-Y2793 HydrophobicContact CG-CE2 4.46Å; S2791-Y2793 PolarHBondContact O-N 3.27Å; S2791-Y2793 PolarHBondContact OG-N 3.03Å; Y2793-S2795 PolarHBondContact O-N 3.26Å; Y2793-C2796 CarbonylContact O-C 3.46Å; Y2793-C2796 PolarHBondContact O-N 3.25Å; Y2793-C2796 VanDerWaalsContact O-N 3.08Å
2794	T	60.8	Low	66.6	Low	121.667 Å²	121.667	84.8 Å²	84.8	75%	0.746	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-83.9	-13.4	177.9	49.2	0	0	0	0	113.3	S2791 P2792	S2791-T2794 PolarHBondContact O-OG1 3.03Å; S2791-T2794 VanDerWaalsContact O-OG1 3.14Å; S2791-T2794 PolarHBondContact OG-OG1 3.15Å; P2792-T2794 VanDerWaalsContact C-N 3.27Å; P2792-T2794 PolarHBondContact O-N 2.94Å
2795	S	64.5	Low	67.1	Low	43 Å²	43	81.5 Å²	81.5	30%	0.301	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-27.5	-172.8	35.6	0	0	0	0	114.8	S2791 P2792 Y2793	S2791-S2795 PolarHBondContact O-OG 3.17Å; S2791-S2795 VanDerWaalsContact O-OG 3.12Å; P2792-S2795 PolarHBondContact O-N 3.19Å; P2792-S2795 PolarHBondContact O-OG 2.77Å; Y2793-S2795 PolarHBondContact O-N 3.26Å
2796	C	70.3	Confident	67.4	Low	9.66667 Å²	9.66667	87.1 Å²	87.1	7%	0.065	45%	0.45	C	S	.	.	S	Bend	trans	-130.6	131.7	178.7	-84.3	0	0	0	0	111.7	P2792 Y2793 Q2798 G2799 W2800 L2802 C2811	P2792-C2796 PolarHBondContact O-N 2.98Å; Y2793-C2796 CarbonylContact O-C 3.46Å; Y2793-C2796 PolarHBondContact O-N 3.25Å; Y2793-C2796 VanDerWaalsContact O-N 3.08Å; C2796-Q2798 PolarHBondContact O-N 2.83Å; C2796-G2799 PolarHBondContact O-N 2.77Å; C2796-G2799 PolarHBondContact SG-O 3.04Å; C2796-G2799 VanDerWaalsContact SG-O 3.33Å; C2796-W2800 HydrophobicContact CB-CB 3.88Å; C2796-W2800 HydrophobicContact CB-CD2 4.23Å; C2796-W2800 HydrophobicContact CB-CZ2 3.92Å; C2796-L2802 WeakPolarHBondContact SG-CD2 3.03Å; C2796-L2802 WeakPolarHBondContact SG-CG 3.15Å; C2796-C2811 VanDerWaalsContact CA-SG 3.52Å; C2796-C2811 HydrophobicContact CB-CB 3.84Å; C2796-C2811 WeakPolarHBondContact CB-SG 3.4Å; C2796-C2811 WeakPolarHBondContact SG-CB 3.27Å; C2796-C2811 CovalentContact SG-SG 2.04Å; C2796-C2811 PolarHBondContact SG-SG 3.12Å
2797	P	68	Low	67.6	Low	68.6667 Å²	68.6667	85.8 Å²	85.8	45%	0.446	45%	0.449	S	S	.	.			trans	-62.5	156.6	175.4	-4.9	11	0	0	0	112.9	I2777 G2799 W2800	I2777-P2797 HydrophobicContact CD1-CG 4.2Å; P2797-G2799 PolarHBondContact O-N 2.98Å; P2797-W2800 HydrophobicContact CB-CG 4.41Å; P2797-W2800 HydrophobicContact CG-CD2 4.43Å; P2797-W2800 WeakPolarHBondContact O-CB 3.32Å; P2797-W2800 PolarHBondContact O-N 2.89Å; P2797-W2800 VanDerWaalsContact O-N 3.13Å
2798	Q	67.3	Low	67.6	Low	158.333 Å²	158.333	78.9 Å²	78.9	74%	0.74	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	105.9	179.8	-61.3	-144.1	-5	0	0	112.2	C2796	C2796-Q2798 PolarHBondContact O-N 2.83Å
2799	G	69.7	Low	67.7	Low	52 Å²	52	78.1 Å²	78.1	54%	0.536	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	14.9	-177	0	0	0	0	0	115.1	C2796 P2797	C2796-G2799 PolarHBondContact O-N 2.77Å; C2796-G2799 PolarHBondContact SG-O 3.04Å; C2796-G2799 VanDerWaalsContact SG-O 3.33Å; P2797-G2799 PolarHBondContact O-N 2.98Å
2800	W	74.7	Confident	67.9	Low	27 Å²	27	76.4 Å²	76.4	10%	0.102	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.5	179	-65	74.2	0	0	0	111.2	I2776 I2777 S2778 L2780 C2788 P2789 C2796 P2797 C2811 Y2812 R2813	I2776-W2800 HydrophobicContact CB-CH2 3.89Å; I2776-W2800 HydrophobicContact CB-CZ3 4.24Å; I2776-W2800 HydrophobicContact CD1-CZ2 4.46Å; I2776-W2800 HydrophobicContact CG2-CH2 3.32Å; I2776-W2800 HydrophobicContact CG2-CZ2 4.15Å; I2776-W2800 HydrophobicContact CG2-CZ3 3.94Å; I2777-W2800 HydrophobicContact CB-CE3 4.21Å; I2777-W2800 HydrophobicContact CB-CH2 4.34Å; I2777-W2800 HydrophobicContact CB-CZ3 3.96Å; I2777-W2800 HydrophobicContact CD1-CD2 3.63Å; I2777-W2800 HydrophobicContact CD1-CE3 3.78Å; I2777-W2800 HydrophobicContact CD1-CH2 3.34Å; I2777-W2800 HydrophobicContact CD1-CZ2 3.1Å; I2777-W2800 HydrophobicContact CD1-CZ3 3.65Å; I2777-W2800 HydrophobicContact CG1-CD2 4.35Å; I2777-W2800 HydrophobicContact CG1-CE3 3.98Å; I2777-W2800 HydrophobicContact CG1-CH2 3.34Å; I2777-W2800 HydrophobicContact CG1-CZ2 3.71Å; I2777-W2800 HydrophobicContact CG1-CZ3 3.46Å; I2777-W2800 VanDerWaalsContact CG1-CZ3 3.46Å; S2778-W2800 WeakPolarHBondContact OG-CH2 3.35Å; L2780-W2800 HydrophobicContact CB-CE3 4.16Å; L2780-W2800 HydrophobicContact CB-CH2 3.65Å; L2780-W2800 HydrophobicContact CB-CZ2 4.37Å; L2780-W2800 HydrophobicContact CB-CZ3 3.53Å; L2780-W2800 HydrophobicContact CD1-CH2 4.44Å; L2780-W2800 HydrophobicContact CD1-CZ2 4.45Å; C2788-W2800 HydrophobicContact CB-CB 3.84Å; P2789-W2800 HydrophobicContact CG-CG 4.1Å; C2796-W2800 HydrophobicContact CB-CB 3.88Å; C2796-W2800 HydrophobicContact CB-CD2 4.23Å; C2796-W2800 HydrophobicContact CB-CZ2 3.92Å; P2797-W2800 HydrophobicContact CB-CG 4.41Å; P2797-W2800 HydrophobicContact CG-CD2 4.43Å; P2797-W2800 WeakPolarHBondContact O-CB 3.32Å; P2797-W2800 PolarHBondContact O-N 2.89Å; P2797-W2800 VanDerWaalsContact O-N 3.13Å; W2800-C2811 HydrophobicContact CE3-CB 3.85Å; W2800-C2811 HydrophobicContact CZ3-CB 4.36Å; W2800-Y2812 CarbonylContact C-O 3.5Å; W2800-Y2812 WeakPolarHBondContact CA-O 3.34Å; W2800-R2813 HydrophobicContact CD2-CB 4.16Å; W2800-R2813 HydrophobicContact CE3-CB 3.9Å; W2800-R2813 HydrophobicContact CH2-CB 3.81Å; W2800-R2813 HydrophobicContact CZ2-CB 3.94Å; W2800-R2813 HydrophobicContact CZ2-CG 4.37Å; W2800-R2813 HydrophobicContact CZ3-CB 3.82Å
2801	K	72.7	Confident	68.4	Low	109.5 Å²	109.5	70 Å²	70	48%	0.476	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.2	173.5	-72.5	-162.7	178.6	174.1	0	110.7	C2811 Y2812 L2814	K2801-C2811 CarbonylContact O-C 3.5Å; K2801-C2811 VanDerWaalsContact O-CA 3.31Å; K2801-C2811 WeakPolarHBondContact O-CA 3.43Å; K2801-Y2812 HydrophobicContact CB-CD1 4.34Å; K2801-Y2812 HydrophobicContact CB-CE1 3.7Å; K2801-Y2812 PolarHBondContact N-O 3.07Å; K2801-Y2812 WeakPolarHBondContact O-CD1 3.22Å; K2801-Y2812 WeakPolarHBondContact O-CE1 3.24Å; K2801-Y2812 PolarHBondContact O-N 3.14Å; K2801-L2814 HydrophobicContact CD-CD1 3.47Å; K2801-L2814 VanDerWaalsContact CD-CD1 3.44Å; K2801-L2814 HydrophobicContact CD-CG 4.11Å; K2801-L2814 HydrophobicContact CG-CD1 4.17Å; K2801-L2814 HydrophobicContact CG-CG 4.44Å; K2801-L2814 VanDerWaalsContact NZ-CD1 3.31Å
2802	L	74.5	Confident	69	Low	38.5 Å²	38.5	69.8 Å²	69.8	20%	0.202	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.2	172.2	-123.2	112.4	0	0	0	109.9	L2780 C2788 P2789 C2796 C2809 I2810	L2780-L2802 HydrophobicContact CD1-CD1 3.97Å; C2788-L2802 HydrophobicContact CB-CB 4.34Å; C2788-L2802 HydrophobicContact CB-CD2 3.74Å; C2788-L2802 HydrophobicContact CB-CG 4.18Å; P2789-L2802 HydrophobicContact CG-CD1 4.26Å; P2789-L2802 HydrophobicContact CG-CD2 3.94Å; P2789-L2802 WeakPolarHBondContact O-CD1 3.26Å; P2789-L2802 WeakPolarHBondContact O-CD2 3.42Å; C2796-L2802 WeakPolarHBondContact SG-CD2 3.03Å; C2796-L2802 WeakPolarHBondContact SG-CG 3.15Å; L2802-C2809 HydrophobicContact CD1-CB 3.94Å; L2802-C2809 HydrophobicContact CD2-CB 4.18Å; L2802-I2810 CarbonylContact C-O 3.6Å; L2802-I2810 WeakPolarHBondContact CA-O 3.3Å
2803	R	73.3	Confident	69.9	Low	85.5 Å²	85.5	68 Å²	68	32%	0.323	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139	168.1	174.7	175.6	175.8	-172.7	-4.7	108.6	E2805 I2810 Y2812 Y2871	R2803-E2805 IonicContact CZ-OE1 3.45Å; R2803-E2805 IonicContact CZ-OE2 2.65Å; R2803-E2805 IonicContact NE-OE1 3.97Å; R2803-E2805 IonicContact NE-OE2 3.78Å; R2803-E2805 IonicContact NH2-OE1 3.8Å; R2803-E2805 PolarHBondContact NH2-OE1 2.85Å; R2803-E2805 IonicContact NH2-OE2 3.17Å; R2803-I2810 PolarHBondContact N-O 2.98Å; R2803-I2810 PolarHBondContact O-N 3.22Å; R2803-Y2812 HydrophobicContact CB-CD1 3.88Å; R2803-Y2812 HydrophobicContact CB-CE1 3.59Å; R2803-Y2871 PolarHBondContact NH1-OH 2.8Å
2804	L	68.9	Low	70.8	Confident	88.5 Å²	88.5	63.8 Å²	63.8	46%	0.463	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.8	170.1	-164.6	123.3	0	0	0	107.9	I2782 C2788 Y2806	I2782-L2804 HydrophobicContact CD1-CD1 3.5Å; C2788-L2804 HydrophobicContact CB-CB 4.42Å; C2788-L2804 HydrophobicContact CB-CD1 3.99Å; C2788-L2804 HydrophobicContact CB-CG 4.4Å; L2804-Y2806 VanDerWaalsContact CD2-O 3.24Å; L2804-Y2806 WeakPolarHBondContact CD2-O 3.44Å
2805	E	68.9	Low	71.8	Confident	29 Å²	29	60.5 Å²	60.5	14%	0.136	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	116.1	176.4	-168.3	160	-157.6	0	0	109.4	R2803 D2807 A2808 I2810 Y2876	R2803-E2805 IonicContact CZ-OE1 3.45Å; R2803-E2805 IonicContact CZ-OE2 2.65Å; R2803-E2805 IonicContact NE-OE1 3.97Å; R2803-E2805 IonicContact NE-OE2 3.78Å; R2803-E2805 IonicContact NH2-OE1 3.8Å; R2803-E2805 PolarHBondContact NH2-OE1 2.85Å; R2803-E2805 IonicContact NH2-OE2 3.17Å; E2805-D2807 PolarHBondContact O-N 2.98Å; E2805-A2808 PolarHBondContact N-O 2.98Å; E2805-A2808 PolarHBondContact O-N 2.72Å; E2805-I2810 HydrophobicContact CB-CD1 3.72Å; E2805-I2810 VanDerWaalsContact CB-CD1 3.49Å; E2805-I2810 HydrophobicContact CB-CG1 4.39Å; E2805-I2810 HydrophobicContact CG-CD1 4.36Å; E2805-I2810 VanDerWaalsContact OE2-CD1 3.23Å; E2805-I2810 WeakPolarHBondContact OE2-CD1 3.33Å; E2805-Y2876 WeakPolarHBondContact OE1-CE1 3.35Å; E2805-Y2876 PolarHBondContact OE1-OH 3.35Å; E2805-Y2876 WeakPolarHBondContact OE2-CE1 3.48Å
2806	Y	70.6	Confident	72.9	Confident	196 Å²	196	62.4 Å²	62.4	77%	0.769	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	-122.4	-167	-51.6	-79.6	0	0	0	110.5	L2804	L2804-Y2806 VanDerWaalsContact CD2-O 3.24Å; L2804-Y2806 WeakPolarHBondContact CD2-O 3.44Å
2807	D	68.1	Low	74	Confident	106 Å²	106	61.9 Å²	61.9	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	15.3	179.2	-63.6	-48	0	0	0	113.7	I2782 E2805	I2782-D2807 PolarHBondContact N-O 3.08Å; E2805-D2807 PolarHBondContact O-N 2.98Å
2808	A	69.2	Low	75.2	Confident	23.5 Å²	23.5	59.8 Å²	59.8	19%	0.194	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.2	-173.3	0	0	0	0	0	113	V2779 E2805	V2779-A2808 HydrophobicContact CG1-CB 3.76Å; V2779-A2808 VanDerWaalsContact CG1-CB 3.45Å; E2805-A2808 PolarHBondContact N-O 2.98Å; E2805-A2808 PolarHBondContact O-N 2.72Å
2809	C	73.3	Confident	76.5	Confident	1.5 Å²	1.5	52.3 Å²	52.3	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.7	167.6	-83	0	0	0	0	110	V2779 L2780 I2782 C2788 L2802	V2779-C2809 CarbonylContact C-O 3.24Å; V2779-C2809 WeakPolarHBondContact CA-O 3.42Å; L2780-C2809 HydrophobicContact CB-CB 3.86Å; L2780-C2809 HydrophobicContact CD1-CB 4.35Å; L2780-C2809 PolarHBondContact N-O 2.86Å; L2780-C2809 PolarHBondContact O-N 2.75Å; I2782-C2809 HydrophobicContact CD1-CB 3.97Å; I2782-C2809 WeakPolarHBondContact CD1-SG 3.41Å; I2782-C2809 HydrophobicContact CG1-CB 4.03Å; C2788-C2809 WeakPolarHBondContact CA-SG 3.29Å; C2788-C2809 HydrophobicContact CB-CB 4.31Å; C2788-C2809 WeakPolarHBondContact CB-SG 3.5Å; C2788-C2809 WeakPolarHBondContact SG-CA 3.38Å; C2788-C2809 WeakPolarHBondContact SG-CB 3.38Å; C2788-C2809 CovalentContact SG-SG 2.03Å; C2788-C2809 PolarHBondContact SG-SG 3Å; L2802-C2809 HydrophobicContact CD1-CB 3.94Å; L2802-C2809 HydrophobicContact CD2-CB 4.18Å
2810	I	74.7	Confident	77.6	Confident	14.5 Å²	14.5	51.4 Å²	51.4	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.9	-178.2	-66.6	174.8	0	0	0	109.1	I2776 I2777 V2779 L2802 R2803 E2805 Y2812	I2776-I2810 HydrophobicContact CB-CG2 3.99Å; I2776-I2810 HydrophobicContact CD1-CD1 4.05Å; I2776-I2810 HydrophobicContact CD1-CG2 3.55Å; I2776-I2810 HydrophobicContact CG1-CG2 3.44Å; I2776-I2810 VanDerWaalsContact CG1-CG2 3.44Å; I2776-I2810 HydrophobicContact CG2-CG2 3.58Å; I2777-I2810 HydrophobicContact CB-CG2 4.3Å; I2777-I2810 HydrophobicContact CG1-CG2 4.16Å; I2777-I2810 HydrophobicContact CG2-CB 4.45Å; I2777-I2810 HydrophobicContact CG2-CD1 4.23Å; I2777-I2810 HydrophobicContact CG2-CG1 4.06Å; I2777-I2810 HydrophobicContact CG2-CG2 3.7Å; V2779-I2810 HydrophobicContact CG2-CG1 4.37Å; L2802-I2810 CarbonylContact C-O 3.6Å; L2802-I2810 WeakPolarHBondContact CA-O 3.3Å; R2803-I2810 PolarHBondContact N-O 2.98Å; R2803-I2810 PolarHBondContact O-N 3.22Å; E2805-I2810 HydrophobicContact CB-CD1 3.72Å; E2805-I2810 VanDerWaalsContact CB-CD1 3.49Å; E2805-I2810 HydrophobicContact CB-CG1 4.39Å; E2805-I2810 HydrophobicContact CG-CD1 4.36Å; E2805-I2810 VanDerWaalsContact OE2-CD1 3.23Å; E2805-I2810 WeakPolarHBondContact OE2-CD1 3.33Å; I2810-Y2812 HydrophobicContact CG2-CD1 4.32Å; I2810-Y2812 PolarHBondContact O-N 2.61Å
2811	C	75.8	Confident	78.5	Confident	0.5 Å²	0.5	53.3 Å²	53.3	0%	0.003	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.2	162.5	-64.1	0	0	0	0	108.9	I2776 I2777 S2778 C2796 W2800 K2801	I2776-C2811 WeakPolarHBondContact CA-O 3.41Å; I2777-C2811 PolarHBondContact N-O 3.44Å; I2777-C2811 VanDerWaalsContact N-O 3.08Å; S2778-C2811 PolarHBondContact N-O 2.69Å; S2778-C2811 PolarHBondContact O-N 3.15Å; S2778-C2811 WeakPolarHBondContact OG-CB 3.1Å; S2778-C2811 PolarHBondContact OG-SG 2.89Å; S2778-C2811 VanDerWaalsContact OG-SG 3.39Å; C2796-C2811 VanDerWaalsContact CA-SG 3.52Å; C2796-C2811 HydrophobicContact CB-CB 3.84Å; C2796-C2811 WeakPolarHBondContact CB-SG 3.4Å; C2796-C2811 WeakPolarHBondContact SG-CB 3.27Å; C2796-C2811 CovalentContact SG-SG 2.04Å; C2796-C2811 PolarHBondContact SG-SG 3.12Å; W2800-C2811 HydrophobicContact CE3-CB 3.85Å; W2800-C2811 HydrophobicContact CZ3-CB 4.36Å; K2801-C2811 CarbonylContact O-C 3.5Å; K2801-C2811 VanDerWaalsContact O-CA 3.31Å; K2801-C2811 WeakPolarHBondContact O-CA 3.43Å
2812	Y	73.6	Confident	79.4	Confident	46 Å²	46	48 Å²	48	18%	0.18	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157	177.9	74.8	-76.4	0	0	0	112.1	S2775 I2776 W2800 K2801 R2803 I2810 L2814	S2775-Y2812 WeakPolarHBondContact O-CA 3.36Å; S2775-Y2812 WeakPolarHBondContact O-CB 3.47Å; I2776-Y2812 WeakPolarHBondContact O-CA 3.33Å; W2800-Y2812 CarbonylContact C-O 3.5Å; W2800-Y2812 WeakPolarHBondContact CA-O 3.34Å; K2801-Y2812 HydrophobicContact CB-CD1 4.34Å; K2801-Y2812 HydrophobicContact CB-CE1 3.7Å; K2801-Y2812 PolarHBondContact N-O 3.07Å; K2801-Y2812 WeakPolarHBondContact O-CD1 3.22Å; K2801-Y2812 WeakPolarHBondContact O-CE1 3.24Å; K2801-Y2812 PolarHBondContact O-N 3.14Å; R2803-Y2812 HydrophobicContact CB-CD1 3.88Å; R2803-Y2812 HydrophobicContact CB-CE1 3.59Å; I2810-Y2812 HydrophobicContact CG2-CD1 4.32Å; I2810-Y2812 PolarHBondContact O-N 2.61Å; Y2812-L2814 HydrophobicContact CE2-CD2 3.72Å; Y2812-L2814 HydrophobicContact CE2-CG 4.09Å
2813	R	73.6	Confident	80.2	Confident	32 Å²	32	46.2 Å²	46.2	12%	0.121	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.9	179.6	-164.8	172.5	65.2	166.8	0	111.1	E2719 S2751 W2800 D2815	E2719-R2813 VanDerWaalsContact O-CZ 3.29Å; E2719-R2813 PolarHBondContact O-NH1 3.23Å; E2719-R2813 PolarHBondContact O-NH2 2.82Å; E2719-R2813 IonicContact OE1-CZ 3.63Å; E2719-R2813 IonicContact OE1-NH2 3.91Å; E2719-R2813 PolarHBondContact OE1-NH2 2.74Å; E2719-R2813 IonicContact OE2-CZ 3.82Å; E2719-R2813 IonicContact OE2-NE 3.65Å; E2719-R2813 IonicContact OE2-NH2 3.32Å; E2719-R2813 PolarHBondContact OE2-NH2 3.06Å; S2751-R2813 PolarHBondContact OG-NH1 3.41Å; S2751-R2813 PolarHBondContact OG-NH2 2.87Å; W2800-R2813 HydrophobicContact CD2-CB 4.16Å; W2800-R2813 HydrophobicContact CE3-CB 3.9Å; W2800-R2813 HydrophobicContact CH2-CB 3.81Å; W2800-R2813 HydrophobicContact CZ2-CB 3.94Å; W2800-R2813 HydrophobicContact CZ2-CG 4.37Å; W2800-R2813 HydrophobicContact CZ3-CB 3.82Å; R2813-D2815 VanDerWaalsContact CD-OD2 3.26Å; R2813-D2815 WeakPolarHBondContact CD-OD2 3.45Å; R2813-D2815 HydrophobicContact CG-CB 4.16Å; R2813-D2815 IonicContact CZ-OD2 2.76Å; R2813-D2815 IonicContact NE-OD1 3.12Å; R2813-D2815 IonicContact NE-OD2 2.75Å; R2813-D2815 PolarHBondContact NE-OD2 3.03Å; R2813-D2815 IonicContact NH1-OD2 3.2Å; R2813-D2815 PolarHBondContact NH1-OD2 3.11Å; R2813-D2815 IonicContact NH2-OD2 3.18Å; R2813-D2815 PolarHBondContact NH2-OD2 2.71Å; R2813-D2815 PolarHBondContact O-N 2.94Å
2814	L	74.3	Confident	81	Confident	87.5 Å²	87.5	42.5 Å²	42.5	46%	0.458	20%	0.201	S	C	.	.			trans	-83.7	12.7	-178.6	-87.8	-176.1	0	0	0	114.8	K2801 Y2812 Q2816	K2801-L2814 HydrophobicContact CD-CD1 3.47Å; K2801-L2814 VanDerWaalsContact CD-CD1 3.44Å; K2801-L2814 HydrophobicContact CD-CG 4.11Å; K2801-L2814 HydrophobicContact CG-CD1 4.17Å; K2801-L2814 HydrophobicContact CG-CG 4.44Å; K2801-L2814 VanDerWaalsContact NZ-CD1 3.31Å; Y2812-L2814 HydrophobicContact CE2-CD2 3.72Å; Y2812-L2814 HydrophobicContact CE2-CG 4.09Å; L2814-Q2816 PolarHBondContact O-N 3.01Å
2815	D	82	Confident	81.7	Confident	53.5 Å²	53.5	38.5 Å²	38.5	29%	0.286	18%	0.182	S	C	.	.			trans	-65.6	138.9	179.9	-73.2	-1.4	0	0	0	110.3	S2751 K2752 R2813	S2751-D2815 WeakPolarHBondContact OG-CB 3.29Å; S2751-D2815 PolarHBondContact OG-OD2 3.36Å; K2752-D2815 VanDerWaalsContact CE-OD2 3.28Å; K2752-D2815 WeakPolarHBondContact CE-OD2 3.39Å; K2752-D2815 IonicContact NZ-OD2 3.06Å; K2752-D2815 PolarHBondContact NZ-OD2 3.01Å; R2813-D2815 VanDerWaalsContact CD-OD2 3.26Å; R2813-D2815 WeakPolarHBondContact CD-OD2 3.45Å; R2813-D2815 HydrophobicContact CG-CB 4.16Å; R2813-D2815 IonicContact CZ-OD2 2.76Å; R2813-D2815 IonicContact NE-OD1 3.12Å; R2813-D2815 IonicContact NE-OD2 2.75Å; R2813-D2815 PolarHBondContact NE-OD2 3.03Å; R2813-D2815 IonicContact NH1-OD2 3.2Å; R2813-D2815 PolarHBondContact NH1-OD2 3.11Å; R2813-D2815 IonicContact NH2-OD2 3.18Å; R2813-D2815 PolarHBondContact NH2-OD2 2.71Å; R2813-D2815 PolarHBondContact O-N 2.94Å
2816	Q	88	Confident	82	Confident	82 Å²	82	40.5 Å²	40.5	38%	0.383	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.7	179.9	63.3	-175.2	-7.4	0	0	110	S2751 L2814 D2818 K2879 N2881	S2751-Q2816 CarbonylContact O-C 3.57Å; L2814-Q2816 PolarHBondContact O-N 3.01Å; Q2816-D2818 PolarHBondContact O-N 2.83Å; Q2816-K2879 CarbonylContact C-O 3.39Å; Q2816-K2879 WeakPolarHBondContact CA-O 3.46Å; Q2816-K2879 HydrophobicContact CB-CB 4.13Å; Q2816-K2879 HydrophobicContact CB-CG 4.32Å; Q2816-K2879 VanDerWaalsContact CB-O 3.24Å; Q2816-K2879 WeakPolarHBondContact CB-O 3.31Å; Q2816-N2881 HydrophobicContact CG-CB 4.2Å; Q2816-N2881 PolarHBondContact NE2-ND2 2.73Å
2817	I	92.4	Very high	81.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.3	174.9	-67.6	170.2	0	0	0	108.3	C2748 S2751 N2753 F2755 T2771 A2819 I2878 K2879 V2880 N2881	C2748-I2817 HydrophobicContact CB-CD1 3.99Å; S2751-I2817 VanDerWaalsContact O-CA 3.25Å; S2751-I2817 WeakPolarHBondContact O-CA 3.32Å; S2751-I2817 WeakPolarHBondContact O-CG1 3.43Å; S2751-I2817 PolarHBondContact O-N 3.22Å; N2753-I2817 WeakPolarHBondContact O-CG2 3.11Å; F2755-I2817 HydrophobicContact CD2-CG2 3.71Å; F2755-I2817 HydrophobicContact CE2-CG2 3.88Å; T2771-I2817 HydrophobicContact CG2-CD1 3.66Å; I2817-A2819 PolarHBondContact O-N 2.83Å; I2817-I2878 HydrophobicContact CD1-CB 4.48Å; I2817-I2878 HydrophobicContact CD1-CG2 4.1Å; I2817-I2878 HydrophobicContact CG1-CG2 3.98Å; I2817-K2879 PolarHBondContact N-O 3.33Å; I2817-V2880 HydrophobicContact CB-CG2 4.31Å; I2817-N2881 PolarHBondContact O-N 2.99Å
2818	D	94	Very high	81.5	Confident	25.5 Å²	25.5	31.1 Å²	31.1	14%	0.136	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	110.1	173.1	-179.9	-6.2	0	0	0	109	N2753 I2754 F2755 R2756 Q2816 Q2820	N2753-D2818 PolarHBondContact O-N 3.28Å; I2754-D2818 CarbonylContact C-O 3.55Å; I2754-D2818 WeakPolarHBondContact CA-O 3.41Å; I2754-D2818 HydrophobicContact CB-CB 4.5Å; I2754-D2818 HydrophobicContact CG1-CB 4.24Å; I2754-D2818 HydrophobicContact CG2-CB 4.31Å; F2755-D2818 PolarHBondContact N-O 2.9Å; R2756-D2818 IonicContact CZ-OD2 3.4Å; R2756-D2818 IonicContact NE-OD1 3.48Å; R2756-D2818 IonicContact NE-OD2 3.2Å; R2756-D2818 PolarHBondContact NE-OD2 2.87Å; R2756-D2818 IonicContact NH2-OD2 3.21Å; R2756-D2818 PolarHBondContact NH2-OD2 2.5Å; Q2816-D2818 PolarHBondContact O-N 2.83Å; D2818-Q2820 VanDerWaalsContact OD1-CB 3.31Å; D2818-Q2820 WeakPolarHBondContact OD1-CB 3.33Å; D2818-Q2820 VanDerWaalsContact OD1-CG 3.24Å; D2818-Q2820 WeakPolarHBondContact OD1-CG 3.36Å; D2818-Q2820 PolarHBondContact OD1-N 2.81Å
2819	A	94.7	Very high	80.7	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.			trans	-120.8	29.2	175.3	0	0	0	0	0	111.7	F2755 L2769 I2817 N2822 W2824 V2880 N2881	F2755-A2819 HydrophobicContact CB-CB 4.44Å; F2755-A2819 CarbonylContact O-C 3.54Å; F2755-A2819 VanDerWaalsContact O-CA 3.3Å; F2755-A2819 WeakPolarHBondContact O-CA 3.27Å; L2769-A2819 HydrophobicContact CD2-CB 4.35Å; I2817-A2819 PolarHBondContact O-N 2.83Å; A2819-N2822 PolarHBondContact O-ND2 3.03Å; A2819-W2824 HydrophobicContact CB-CH2 4.42Å; A2819-W2824 HydrophobicContact CB-CZ2 4.01Å; A2819-V2880 HydrophobicContact CB-CG1 3.48Å; A2819-V2880 VanDerWaalsContact CB-CG1 3.44Å; A2819-N2881 CarbonylContact C-O 3.54Å; A2819-N2881 VanDerWaalsContact C-O 3.25Å; A2819-N2881 WeakPolarHBondContact CA-O 3.41Å; A2819-N2881 PolarHBondContact N-O 3.14Å
2820	Q	92.4	Very high	79.4	Confident	32 Å²	32	37.6 Å²	37.6	15%	0.15	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	158.8	179.5	-61.1	-172.9	-8.1	0	0	112	R2756 D2818 N2822 N2881 A2883	R2756-Q2820 WeakPolarHBondContact CG-O 3.28Å; D2818-Q2820 VanDerWaalsContact OD1-CB 3.31Å; D2818-Q2820 WeakPolarHBondContact OD1-CB 3.33Å; D2818-Q2820 VanDerWaalsContact OD1-CG 3.24Å; D2818-Q2820 WeakPolarHBondContact OD1-CG 3.36Å; D2818-Q2820 PolarHBondContact OD1-N 2.81Å; Q2820-N2822 PolarHBondContact O-N 3.17Å; Q2820-N2822 VanDerWaalsContact O-N 3.15Å; Q2820-N2822 PolarHBondContact O-ND2 2.82Å; Q2820-N2881 PolarHBondContact N-O 2.9Å; Q2820-N2881 PolarHBondContact NE2-ND2 3.11Å; Q2820-N2881 VanDerWaalsContact NE2-ND2 3.12Å; Q2820-N2881 PolarHBondContact NE2-OD1 2.96Å; Q2820-N2881 VanDerWaalsContact NE2-OD1 3.11Å; Q2820-A2883 VanDerWaalsContact CA-O 3.28Å; Q2820-A2883 WeakPolarHBondContact CA-O 3.1Å; Q2820-A2883 VanDerWaalsContact CB-O 3.27Å; Q2820-A2883 WeakPolarHBondContact CB-O 3.19Å; Q2820-A2883 HydrophobicContact CG-CB 4.4Å; Q2820-A2883 VanDerWaalsContact CG-O 3.23Å; Q2820-A2883 WeakPolarHBondContact CG-O 3.44Å
2821	Y	92.7	Very high	77.8	Confident	67 Å²	67	41.8 Å²	41.8	26%	0.263	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	32.1	174	-46.9	-73.7	0	0	0	114.2	Y2757 N2884 Y2886	Y2757-Y2821 WeakPolarHBondContact CA-O 3.27Å; Y2757-Y2821 HydrophobicContact CE1-CG 4.48Å; Y2757-Y2821 PolarHBondContact N-O 3.25Å; Y2821-N2884 WeakPolarHBondContact CA-O 3.31Å; Y2821-N2884 HydrophobicContact CD1-CB 3.89Å; Y2821-N2884 HydrophobicContact CE1-CB 3.54Å; Y2821-N2884 PolarHBondContact N-O 3.01Å; Y2821-N2884 PolarHBondContact OH-ND2 3.26Å; Y2821-Y2886 HydrophobicContact CD1-CE1 4.36Å; Y2821-Y2886 WeakPolarHBondContact O-CD2 3.22Å; Y2821-Y2886 WeakPolarHBondContact O-CE2 3.46Å
2822	N	92.9	Very high	76.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.268	C	S	.	.			trans	-101.1	156	169.7	-63	-60.3	0	0	0	110.5	F2755 R2756 Y2757 N2758 F2760 A2819 Q2820 W2824 Y2886	F2755-N2822 PolarHBondContact O-ND2 2.81Å; R2756-N2822 VanDerWaalsContact C-OD1 3.24Å; R2756-N2822 WeakPolarHBondContact CA-OD1 3.18Å; R2756-N2822 PolarHBondContact N-OD1 3.02Å; Y2757-N2822 PolarHBondContact N-OD1 3.01Å; N2758-N2822 WeakPolarHBondContact CB-OD1 3.44Å; N2758-N2822 PolarHBondContact N-OD1 2.71Å; N2758-N2822 PolarHBondContact ND2-OD1 3.01Å; N2758-N2822 VanDerWaalsContact ND2-OD1 3.13Å; F2760-N2822 HydrophobicContact CD2-CB 4.34Å; F2760-N2822 HydrophobicContact CE2-CB 4.22Å; A2819-N2822 PolarHBondContact O-ND2 3.03Å; Q2820-N2822 PolarHBondContact O-N 3.17Å; Q2820-N2822 VanDerWaalsContact O-N 3.15Å; Q2820-N2822 PolarHBondContact O-ND2 2.82Å; N2822-W2824 HydrophobicContact CB-CZ2 4.05Å; N2822-Y2886 PolarHBondContact O-N 3.26Å
2823	W	91.3	Very high	74.7	Confident	0.5 Å²	0.5	48.6 Å²	48.6	0%	0.002	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-105.5	120.8	169.1	-176.4	72.5	0	0	0	109.4	N2758 Y2759 F2760 R2761 G2825 D2826 Y2886 S2888 N2889 T2892	N2758-W2823 PolarHBondContact O-N 3.26Å; N2758-W2823 VanDerWaalsContact O-N 3.08Å; Y2759-W2823 HydrophobicContact CD1-CE3 4.45Å; Y2759-W2823 HydrophobicContact CD1-CZ3 4.37Å; Y2759-W2823 HydrophobicContact CD2-CD2 4.42Å; Y2759-W2823 AromaticContact CD2-CE3 3.46Å; Y2759-W2823 HydrophobicContact CD2-CE3 3.46Å; Y2759-W2823 VanDerWaalsContact CD2-CE3 3.46Å; Y2759-W2823 AromaticContact CD2-CZ3 3.69Å; Y2759-W2823 HydrophobicContact CD2-CZ3 3.69Å; Y2759-W2823 HydrophobicContact CE1-CE3 4.45Å; Y2759-W2823 AromaticContact CE1-CZ3 3.93Å; Y2759-W2823 HydrophobicContact CE1-CZ3 3.93Å; Y2759-W2823 HydrophobicContact CE2-CD2 4.45Å; Y2759-W2823 AromaticContact CE2-CE3 3.44Å; Y2759-W2823 HydrophobicContact CE2-CE3 3.44Å; Y2759-W2823 VanDerWaalsContact CE2-CE3 3.44Å; Y2759-W2823 AromaticContact CE2-CH2 3.97Å; Y2759-W2823 HydrophobicContact CE2-CH2 3.97Å; Y2759-W2823 AromaticContact CE2-CZ3 3.15Å; Y2759-W2823 HydrophobicContact CE2-CZ3 3.15Å; Y2759-W2823 AromaticContact CG-CE3 3.99Å; Y2759-W2823 HydrophobicContact CG-CE3 4Å; Y2759-W2823 HydrophobicContact CG-CZ3 4.26Å; Y2759-W2823 AromaticContact CZ-CE3 3.99Å; Y2759-W2823 AromaticContact CZ-CZ3 3.29Å; F2760-W2823 PolarHBondContact N-O 3.01Å; R2761-W2823 HydrophobicContact CB-CZ3 3.95Å; W2823-G2825 VanDerWaalsContact CE2-C 3.49Å; W2823-G2825 VanDerWaalsContact CE2-O 3.29Å; W2823-G2825 WeakPolarHBondContact CZ2-O 3.48Å; W2823-G2825 PolarHBondContact NE1-O 3.14Å; W2823-G2825 VanDerWaalsContact NE1-O 3.16Å; W2823-D2826 HydrophobicContact CZ2-CB 4.45Å; W2823-D2826 WeakPolarHBondContact CZ2-OD1 3.32Å; W2823-Y2886 VanDerWaalsContact CD1-O 3.32Å; W2823-S2888 VanDerWaalsContact CD1-C 3.4Å; W2823-N2889 HydrophobicContact CD2-CB 4Å; W2823-N2889 HydrophobicContact CE3-CB 4.34Å; W2823-N2889 HydrophobicContact CG-CB 4.43Å; W2823-N2889 HydrophobicContact CH2-CB 4.26Å; W2823-N2889 HydrophobicContact CZ2-CB 3.94Å; W2823-N2889 HydrophobicContact CZ3-CB 4.47Å; W2823-T2892 HydrophobicContact CB-CG2 3.75Å
2824	W	89.8	Confident	72.8	Confident	6 Å²	6	51.8 Å²	51.8	2%	0.023	31%	0.308	C	S	.	.			trans	-98.9	0.2	-170	-62.2	97.3	0	0	0	114.3	F2760 E2768 L2769 A2819 N2822 F2863 A2864 R2867 I2868	F2760-W2824 HydrophobicContact CB-CE3 4.46Å; F2760-W2824 HydrophobicContact CD2-CD2 4.34Å; F2760-W2824 AromaticContact CD2-CE3 3.85Å; F2760-W2824 HydrophobicContact CD2-CE3 3.85Å; F2760-W2824 HydrophobicContact CD2-CH2 4.37Å; F2760-W2824 AromaticContact CD2-CZ3 3.87Å; F2760-W2824 HydrophobicContact CD2-CZ3 3.87Å; F2760-W2824 HydrophobicContact CE2-CE3 4.33Å; F2760-W2824 HydrophobicContact CE2-CH2 4.16Å; F2760-W2824 AromaticContact CE2-CZ3 3.91Å; F2760-W2824 HydrophobicContact CE2-CZ3 4.02Å; F2760-W2824 HydrophobicContact CG-CE3 4.32Å; F2760-W2824 HydrophobicContact CG-CZ3 4.43Å; F2760-W2824 CarbonylContact O-C 3.55Å; F2760-W2824 VanDerWaalsContact O-C 3.28Å; E2768-W2824 HydrophobicContact CB-CE3 3.77Å; E2768-W2824 HydrophobicContact CB-CZ3 3.72Å; E2768-W2824 HydrophobicContact CG-CE3 4.27Å; L2769-W2824 HydrophobicContact CB-CH2 4.09Å; L2769-W2824 HydrophobicContact CB-CZ3 4.08Å; L2769-W2824 HydrophobicContact CD2-CH2 4.17Å; A2819-W2824 HydrophobicContact CB-CH2 4.42Å; A2819-W2824 HydrophobicContact CB-CZ2 4.01Å; N2822-W2824 HydrophobicContact CB-CZ2 4.05Å; W2824-F2863 HydrophobicContact CB-CD1 4.23Å; W2824-F2863 HydrophobicContact CB-CE1 4.39Å; W2824-F2863 WeakPolarHBondContact O-CE1 3.42Å; W2824-A2864 HydrophobicContact CD2-CB 4.38Å; W2824-A2864 HydrophobicContact CG-CB 3.89Å; W2824-R2867 HydrophobicContact CE3-CB 4.43Å; W2824-I2868 HydrophobicContact CD2-CD1 4.48Å; W2824-I2868 HydrophobicContact CE3-CG1 4.36Å; W2824-I2868 HydrophobicContact CH2-CD1 3.81Å; W2824-I2868 HydrophobicContact CH2-CG1 3.83Å; W2824-I2868 HydrophobicContact CZ2-CD1 3.66Å; W2824-I2868 HydrophobicContact CZ2-CG1 4.19Å; W2824-I2868 HydrophobicContact CZ3-CD1 4.31Å; W2824-I2868 HydrophobicContact CZ3-CG1 3.93Å
2825	G	83.7	Confident	71.1	Confident	6 Å²	6	54.7 Å²	54.7	6%	0.062	32%	0.324	C	S	.	.	S	Bend	trans	129.5	177.3	-177.9	0	0	0	0	0	113.4	F2760 W2823 T2827	F2760-G2825 PolarHBondContact O-N 3.04Å; W2823-G2825 VanDerWaalsContact CE2-C 3.49Å; W2823-G2825 VanDerWaalsContact CE2-O 3.29Å; W2823-G2825 WeakPolarHBondContact CZ2-O 3.48Å; W2823-G2825 PolarHBondContact NE1-O 3.14Å; W2823-G2825 VanDerWaalsContact NE1-O 3.16Å; G2825-T2827 PolarHBondContact O-N 2.94Å
2826	D	75.1	Confident	69.1	Low	71.5 Å²	71.5	60.4 Å²	60.4	38%	0.382	35%	0.348	S	S	.	.			trans	-73.7	112.1	-179	-72.9	-51.7	0	0	0	111.5	R2761 W2823 S2828	R2761-D2826 IonicContact CZ-OD2 3.28Å; R2761-D2826 IonicContact NE-OD2 3.58Å; R2761-D2826 IonicContact NH2-OD2 3.4Å; W2823-D2826 HydrophobicContact CZ2-CB 4.45Å; W2823-D2826 WeakPolarHBondContact CZ2-OD1 3.32Å; D2826-S2828 PolarHBondContact O-N 2.95Å
2827	T	67.8	Low	66.7	Low	23.5 Å²	23.5	62.9 Å²	62.9	14%	0.144	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-71.9	-11.9	176	54.2	0	0	0	0	113.7	G2825 S2829 S2830 F2863 L2887	G2825-T2827 PolarHBondContact O-N 2.94Å; T2827-S2829 VanDerWaalsContact C-N 3.27Å; T2827-S2829 PolarHBondContact O-N 3.17Å; T2827-S2829 VanDerWaalsContact O-N 3.15Å; T2827-S2830 PolarHBondContact O-N 3.08Å; T2827-S2830 PolarHBondContact O-OG 2.97Å; T2827-F2863 HydrophobicContact CG2-CB 3.98Å; T2827-F2863 HydrophobicContact CG2-CD1 4.12Å; T2827-F2863 HydrophobicContact CG2-CD2 4.5Å; T2827-F2863 HydrophobicContact CG2-CG 3.95Å; T2827-L2887 HydrophobicContact CG2-CD1 4.23Å; T2827-L2887 PolarHBondContact OG1-O 3.4Å
2828	S	59.8	Low	64.1	Low	79.5 Å²	79.5	71 Å²	71	56%	0.556	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-64.3	-20.4	-170.7	67	0	0	0	0	115.4	D2826 S2830 T2831	D2826-S2828 PolarHBondContact O-N 2.95Å; S2828-S2830 VanDerWaalsContact C-N 3.32Å; S2828-S2830 PolarHBondContact O-N 3.36Å; S2828-T2831 PolarHBondContact O-N 3.34Å; S2828-T2831 PolarHBondContact O-OG1 3.34Å; S2828-T2831 VanDerWaalsContact O-OG1 3.1Å
2829	S	52.5	Low	61.4	Low	84.5 Å²	84.5	74.1 Å²	74.1	59%	0.591	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-70.2	-22.8	179.6	55.9	0	0	0	0	113.9	T2827 T2831	T2827-S2829 VanDerWaalsContact C-N 3.27Å; T2827-S2829 PolarHBondContact O-N 3.17Å; T2827-S2829 VanDerWaalsContact O-N 3.15Å; S2829-T2831 VanDerWaalsContact C-N 3.32Å; S2829-T2831 PolarHBondContact O-N 2.93Å
2830	S	46.2	Very low	58.6	Low	78.5 Å²	78.5	81.8 Å²	81.8	55%	0.549	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-75.8	-16.2	-177.5	74.4	0	0	0	0	114.3	T2827 S2828	T2827-S2830 PolarHBondContact O-N 3.08Å; T2827-S2830 PolarHBondContact O-OG 2.97Å; S2828-S2830 VanDerWaalsContact C-N 3.32Å; S2828-S2830 PolarHBondContact O-N 3.36Å
2831	T	41.9	Very low	56.1	Low	102 Å²	102	87.1 Å²	87.1	63%	0.626	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-90.1	-6.8	-174	49.1	0	0	0	0	114.9	S2828 S2829	S2828-T2831 PolarHBondContact O-N 3.34Å; S2828-T2831 PolarHBondContact O-OG1 3.34Å; S2828-T2831 VanDerWaalsContact O-OG1 3.1Å; S2829-T2831 VanDerWaalsContact C-N 3.32Å; S2829-T2831 PolarHBondContact O-N 2.93Å
2832	S	42.1	Very low	53.6	Low	102.5 Å²	102.5	89.9 Å²	89.9	72%	0.717	52%	0.524	S	S	*	.	S	Bend	trans	-107.4	-4	-170.3	-62.7	0	0	0	0	116.1
2833	S	41.8	Very low	51.1	Low	86 Å²	86	95.7 Å²	95.7	60%	0.601	56%	0.56	S	S	*	*	S	Bend	trans	-150.5	60.6	179.3	64.6	0	0	0	0	113.6
2834	N	33.9	Very low	48.8	Very low	100 Å²	100	105.3 Å²	105.3	54%	0.535	60%	0.601	S	S	.	*			trans	-158	16.8	155.6	-107	-18.9	0	0	0	116.5	Q2836 L2837 M2838	N2834-Q2836 PolarHBondContact O-N 3.41Å; N2834-Q2836 VanDerWaalsContact O-N 3.09Å; N2834-L2837 PolarHBondContact O-N 3.27Å; N2834-M2838 PolarHBondContact O-N 3.16Å; N2834-M2838 VanDerWaalsContact O-N 3.15Å
2835	N	37.6	Very low	46.5	Very low	149 Å²	149	110 Å²	110	80%	0.797	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-2.2	171.1	-80.4	0.5	0	0	0	114.3
2836	Q	40.3	Very low	44.6	Very low	171.5 Å²	171.5	115 Å²	115	80%	0.801	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-23.6	173.9	-69.9	-170.8	-11.9	0	0	114	N2834 S2839	N2834-Q2836 PolarHBondContact O-N 3.41Å; N2834-Q2836 VanDerWaalsContact O-N 3.09Å; Q2836-S2839 PolarHBondContact O-OG 3.15Å
2837	L	38.3	Very low	43.2	Very low	134.5 Å²	134.5	119.3 Å²	119.3	70%	0.704	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-26.9	-178.4	-148	76.4	0	0	0	113.2	N2834 S2839	N2834-L2837 PolarHBondContact O-N 3.27Å; L2837-S2839 PolarHBondContact O-N 3.27Å
2838	M	36.4	Very low	42.1	Very low	170 Å²	170	124 Å²	124	84%	0.837	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-72.7	-7	172.9	-78.9	-82.7	-159.6	0	0	113.8	N2834	N2834-M2838 PolarHBondContact O-N 3.16Å; N2834-M2838 VanDerWaalsContact O-N 3.15Å
2839	S	38.2	Very low	41.5	Very low	91.5 Å²	91.5	126.2 Å²	126.2	64%	0.64	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	0.4	-178.1	76.6	0	0	0	0	115	Q2836 L2837	Q2836-S2839 PolarHBondContact O-OG 3.15Å; L2837-S2839 PolarHBondContact O-N 3.27Å
2840	M	35.7	Very low	41.5	Very low	161.5 Å²	161.5	125.9 Å²	125.9	80%	0.796	71%	0.711	S	S	*	*	S	Bend	trans	-103.8	-3.9	-173.5	-83.6	-101.8	174.6	0	0	116.1
2841	N	39.3	Very low	42	Very low	144 Å²	144	127.2 Å²	127.2	77%	0.77	71%	0.712	S	S	*	*			trans	-124.1	92.2	169.2	-85	-25.4	0	0	0	110.4	V2843	N2841-V2843 PolarHBondContact O-N 2.96Å
2842	S	40	Very low	42.8	Very low	126 Å²	126	128.7 Å²	128.7	88%	0.881	72%	0.717	S	S	*	*			trans	-72.4	59.4	169.5	65.7	0	0	0	0	111.3
2843	V	41.8	Very low	43.7	Very low	121.5 Å²	121.5	130.9 Å²	130.9	74%	0.736	72%	0.716	S	S	*	*			trans	-80	125	159.8	-179.1	0	0	0	0	105.9	N2841 S2845	N2841-V2843 PolarHBondContact O-N 2.96Å; V2843-S2845 VanDerWaalsContact C-N 3.32Å; V2843-S2845 PolarHBondContact O-N 3.3Å
2844	K	41.9	Very low	45	Very low	202 Å²	202	130.3 Å²	130.3	88%	0.878	71%	0.706	S	S	*	*			trans	-46.1	92.8	178.5	-70.8	172.1	176.5	175.4	0	110.7	T2846	K2844-T2846 PolarHBondContact O-N 3.18Å; K2844-T2846 VanDerWaalsContact O-N 3.09Å
2845	S	42.5	Very low	46.9	Very low	103.5 Å²	103.5	130.1 Å²	130.1	72%	0.724	70%	0.701	S	S	*	*			trans	-65.6	109.5	167.7	50.6	0	0	0	0	106.6	V2843 N2847	V2843-S2845 VanDerWaalsContact C-N 3.32Å; V2843-S2845 PolarHBondContact O-N 3.3Å; S2845-N2847 PolarHBondContact O-N 3.15Å
2846	T	42.7	Very low	48.6	Very low	112.5 Å²	112.5	126.4 Å²	126.4	69%	0.69	68%	0.681	S	S	*	*			trans	-47.5	136.9	163.3	37.8	0	0	0	0	108.8	K2844 I2848	K2844-T2846 PolarHBondContact O-N 3.18Å; K2844-T2846 VanDerWaalsContact O-N 3.09Å; T2846-I2848 PolarHBondContact O-N 2.8Å
2847	N	46.4	Very low	50.3	Low	160.5 Å²	160.5	122.5 Å²	122.5	86%	0.858	66%	0.663	S	S	*	*			trans	-66.2	75.9	177.3	-74.9	-12.7	0	0	0	110	S2845 T2849	S2845-N2847 PolarHBondContact O-N 3.15Å; N2847-T2849 PolarHBondContact O-N 3.05Å
2848	I	44.9	Very low	52.2	Low	122 Å²	122	119.6 Å²	119.6	63%	0.626	65%	0.648	S	S	*	*			trans	-81.3	99.5	164.8	-51.6	178.8	0	0	0	105.4	T2846 I2850	T2846-I2848 PolarHBondContact O-N 2.8Å; I2848-I2850 HydrophobicContact CB-CG1 4.14Å; I2848-I2850 HydrophobicContact CG2-CD1 4.37Å; I2848-I2850 HydrophobicContact CG2-CG1 3.48Å; I2848-I2850 VanDerWaalsContact CG2-CG1 3.46Å; I2848-I2850 PolarHBondContact O-N 3.21Å
2849	T	47.9	Very low	54.3	Low	126 Å²	126	113.2 Å²	113.2	77%	0.773	62%	0.618	S	S	*	*			trans	-66.3	83.2	162	48.1	0	0	0	0	107.4	N2847 D2851	N2847-T2849 PolarHBondContact O-N 3.05Å; T2849-D2851 PolarHBondContact O-N 3.01Å; T2849-D2851 VanDerWaalsContact O-N 3.14Å
2850	I	50.7	Low	56.5	Low	78 Å²	78	109.1 Å²	109.1	40%	0.4	59%	0.59	S	S	.	*			trans	-71.4	112	173	-57.5	175.7	0	0	0	106	I2848 N2852 N2854 H2855 I2858	I2848-I2850 HydrophobicContact CB-CG1 4.14Å; I2848-I2850 HydrophobicContact CG2-CD1 4.37Å; I2848-I2850 HydrophobicContact CG2-CG1 3.48Å; I2848-I2850 VanDerWaalsContact CG2-CG1 3.46Å; I2848-I2850 PolarHBondContact O-N 3.21Å; I2850-N2852 PolarHBondContact O-N 3.39Å; I2850-N2854 HydrophobicContact CG2-CB 3.81Å; I2850-H2855 HydrophobicContact CG2-CB 4Å; I2850-I2858 HydrophobicContact CG2-CD1 4.34Å
2851	D	56.8	Low	58.9	Low	106 Å²	106	104.1 Å²	104.1	57%	0.567	56%	0.564	S	S	*	*			trans	-49.7	135.8	172.1	-61.9	-52.7	0	0	0	109.9	T2849 E2853 N2854 H2855	T2849-D2851 PolarHBondContact O-N 3.01Å; T2849-D2851 VanDerWaalsContact O-N 3.14Å; D2851-E2853 PolarHBondContact O-N 3.07Å; D2851-N2854 HydrophobicContact CB-CB 4.48Å; D2851-N2854 WeakPolarHBondContact O-CA 3.33Å; D2851-N2854 WeakPolarHBondContact O-CB 3.38Å; D2851-N2854 PolarHBondContact O-N 2.92Å; D2851-N2854 PolarHBondContact OD2-ND2 3.36Å; D2851-H2855 PolarHBondContact O-N 3.04Å; D2851-H2855 VanDerWaalsContact O-N 3.12Å
2852	N	60.2	Low	61.2	Low	134 Å²	134	101.2 Å²	101.2	72%	0.717	55%	0.549	S	S	*	.	H	α-helix	trans	-54.3	-30.3	-174.9	-75	-25.3	0	0	0	112.8	I2850 H2855 N2856	I2850-N2852 PolarHBondContact O-N 3.39Å; N2852-H2855 PolarHBondContact O-N 3.47Å; N2852-N2856 WeakPolarHBondContact O-CB 3.25Å; N2852-N2856 VanDerWaalsContact O-CG 3.24Å; N2852-N2856 PolarHBondContact O-N 3.34Å; N2852-N2856 PolarHBondContact O-ND2 3.46Å
2853	E	60.8	Low	63.5	Low	149.5 Å²	149.5	97.6 Å²	97.6	70%	0.699	52%	0.517	S	S	*	.	H	α-helix	trans	-66.6	-43.5	174.3	-63.1	-162.8	157.7	0	0	112.8	D2851 H2855 N2856 Q2857	D2851-E2853 PolarHBondContact O-N 3.07Å; E2853-H2855 VanDerWaalsContact C-N 3.3Å; E2853-H2855 PolarHBondContact O-N 3.28Å; E2853-N2856 PolarHBondContact O-N 3.05Å; E2853-Q2857 WeakPolarHBondContact O-CG 3.2Å; E2853-Q2857 PolarHBondContact O-N 3.05Å
2854	N	68.2	Low	65.7	Low	73.5 Å²	73.5	91.8 Å²	91.8	39%	0.393	48%	0.482	S	S	.	.	H	α-helix	trans	-62.8	-42	175.3	-69.9	-26.2	0	0	0	110.4	I2850 D2851 N2856 Q2857 I2858	I2850-N2854 HydrophobicContact CG2-CB 3.81Å; D2851-N2854 HydrophobicContact CB-CB 4.48Å; D2851-N2854 WeakPolarHBondContact O-CA 3.33Å; D2851-N2854 WeakPolarHBondContact O-CB 3.38Å; D2851-N2854 PolarHBondContact O-N 2.92Å; D2851-N2854 PolarHBondContact OD2-ND2 3.36Å; N2854-N2856 PolarHBondContact O-N 3.33Å; N2854-Q2857 PolarHBondContact O-N 3.18Å; N2854-I2858 WeakPolarHBondContact O-CB 3.32Å; N2854-I2858 WeakPolarHBondContact O-CD1 3.45Å; N2854-I2858 VanDerWaalsContact O-CG1 3.22Å; N2854-I2858 WeakPolarHBondContact O-CG1 3.46Å; N2854-I2858 PolarHBondContact O-N 3.32Å
2855	H	74.4	Confident	68	Low	95.5 Å²	95.5	85.2 Å²	85.2	44%	0.442	45%	0.454	S	S	.	.	H	α-helix	trans	-62.4	-44.3	176.3	-170	62	0	0	0	112	I2850 D2851 N2852 E2853 Q2857 I2858 T2859	I2850-H2855 HydrophobicContact CG2-CB 4Å; D2851-H2855 PolarHBondContact O-N 3.04Å; D2851-H2855 VanDerWaalsContact O-N 3.12Å; N2852-H2855 PolarHBondContact O-N 3.47Å; E2853-H2855 VanDerWaalsContact C-N 3.3Å; E2853-H2855 PolarHBondContact O-N 3.28Å; H2855-Q2857 PolarHBondContact O-N 2.96Å; H2855-I2858 PolarHBondContact O-N 3.21Å; H2855-T2859 WeakPolarHBondContact O-CB 3.35Å; H2855-T2859 WeakPolarHBondContact O-CG2 3.45Å; H2855-T2859 PolarHBondContact O-N 2.72Å; H2855-T2859 PolarHBondContact O-OG1 3.25Å
2856	N	74.1	Confident	70.3	Confident	70.5 Å²	70.5	85.9 Å²	85.9	38%	0.377	45%	0.45	S	S	.	.	H	α-helix	trans	-60.9	-45.1	176.8	-76.5	-19.1	0	0	0	112.3	N2852 E2853 N2854 T2859 S2860 L2887	N2852-N2856 WeakPolarHBondContact O-CB 3.25Å; N2852-N2856 VanDerWaalsContact O-CG 3.24Å; N2852-N2856 PolarHBondContact O-N 3.34Å; N2852-N2856 PolarHBondContact O-ND2 3.46Å; E2853-N2856 PolarHBondContact O-N 3.05Å; N2854-N2856 PolarHBondContact O-N 3.33Å; N2856-T2859 PolarHBondContact O-N 3.28Å; N2856-T2859 PolarHBondContact O-OG1 2.83Å; N2856-S2860 PolarHBondContact O-N 3.06Å; N2856-S2860 PolarHBondContact O-OG 3.02Å; N2856-L2887 HydrophobicContact CB-CD2 3.99Å
2857	Q	74.6	Confident	72.7	Confident	89.5 Å²	89.5	82.5 Å²	82.5	42%	0.418	42%	0.424	S	S	.	.	H	α-helix	trans	-64.7	-41.6	176.4	-71.7	-178.3	7	0	0	112.4	E2853 N2854 H2855 T2859 S2860 Q2861	E2853-Q2857 WeakPolarHBondContact O-CG 3.2Å; E2853-Q2857 PolarHBondContact O-N 3.05Å; N2854-Q2857 PolarHBondContact O-N 3.18Å; H2855-Q2857 PolarHBondContact O-N 2.96Å; Q2857-T2859 VanDerWaalsContact C-N 3.29Å; Q2857-T2859 PolarHBondContact O-N 3.19Å; Q2857-S2860 PolarHBondContact O-N 3.18Å; Q2857-S2860 PolarHBondContact O-OG 3.18Å; Q2857-S2860 VanDerWaalsContact O-OG 3.05Å; Q2857-Q2861 WeakPolarHBondContact O-CB 3.33Å; Q2857-Q2861 VanDerWaalsContact O-CG 3.23Å; Q2857-Q2861 WeakPolarHBondContact O-CG 3.37Å; Q2857-Q2861 PolarHBondContact O-N 3.28Å
2858	I	79	Confident	74.9	Confident	74.5 Å²	74.5	75 Å²	75	38%	0.382	38%	0.384	S	S	.	.	H	α-helix	trans	-62.1	-42.8	175.1	-68.4	162.3	0	0	0	110.2	I2850 N2854 H2855 S2860 Q2861 N2862	I2850-I2858 HydrophobicContact CG2-CD1 4.34Å; N2854-I2858 WeakPolarHBondContact O-CB 3.32Å; N2854-I2858 WeakPolarHBondContact O-CD1 3.45Å; N2854-I2858 VanDerWaalsContact O-CG1 3.22Å; N2854-I2858 WeakPolarHBondContact O-CG1 3.46Å; N2854-I2858 PolarHBondContact O-N 3.32Å; H2855-I2858 PolarHBondContact O-N 3.21Å; I2858-S2860 PolarHBondContact O-N 2.73Å; I2858-Q2861 PolarHBondContact O-N 3.23Å; I2858-N2862 WeakPolarHBondContact O-CB 3.37Å; I2858-N2862 PolarHBondContact O-N 3.34Å; I2858-N2862 PolarHBondContact O-ND2 3.47Å; I2858-N2862 PolarHBondContact O-OD1 3.1Å
2859	T	81	Confident	77.2	Confident	35.5 Å²	35.5	71 Å²	71	22%	0.218	36%	0.362	C	S	.	.	H	α-helix	trans	-64.7	-42.2	179.2	2.6	0	0	0	0	112.4	H2855 N2856 Q2857 Q2861 F2863	H2855-T2859 WeakPolarHBondContact O-CB 3.35Å; H2855-T2859 WeakPolarHBondContact O-CG2 3.45Å; H2855-T2859 PolarHBondContact O-N 2.72Å; H2855-T2859 PolarHBondContact O-OG1 3.25Å; N2856-T2859 PolarHBondContact O-N 3.28Å; N2856-T2859 PolarHBondContact O-OG1 2.83Å; Q2857-T2859 VanDerWaalsContact C-N 3.29Å; Q2857-T2859 PolarHBondContact O-N 3.19Å; T2859-Q2861 VanDerWaalsContact C-N 3.34Å; T2859-F2863 WeakPolarHBondContact O-CB 3.22Å; T2859-F2863 PolarHBondContact O-N 3.03Å
2860	S	83.9	Confident	79.3	Confident	5 Å²	5	65.1 Å²	65.1	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-70.6	-31.1	177.3	66.6	0	0	0	0	112.5	N2856 Q2857 I2858 A2864 S2885	N2856-S2860 PolarHBondContact O-N 3.06Å; N2856-S2860 PolarHBondContact O-OG 3.02Å; Q2857-S2860 PolarHBondContact O-N 3.18Å; Q2857-S2860 PolarHBondContact O-OG 3.18Å; Q2857-S2860 VanDerWaalsContact O-OG 3.05Å; I2858-S2860 PolarHBondContact O-N 2.73Å; S2860-A2864 VanDerWaalsContact O-CB 3.31Å; S2860-A2864 WeakPolarHBondContact O-CB 3.43Å; S2860-A2864 PolarHBondContact O-N 2.91Å; S2860-S2885 WeakPolarHBondContact CB-O 3.46Å; S2860-S2885 VanDerWaalsContact CB-OG 3.29Å; S2860-S2885 WeakPolarHBondContact CB-OG 3.41Å; S2860-S2885 PolarHBondContact O-OG 2.94Å; S2860-S2885 PolarHBondContact OG-O 3.16Å; S2860-S2885 PolarHBondContact OG-OG 3.14Å
2861	Q	85.6	Confident	81.1	Confident	57.5 Å²	57.5	64.8 Å²	64.8	27%	0.269	32%	0.32	S	S	.	.	H	α-helix	trans	-71.5	-46.2	174.5	-73.9	173.6	18.7	0	0	111.9	Q2857 I2858 T2859 F2863 A2864 Q2865 Y2882 S2885	Q2857-Q2861 WeakPolarHBondContact O-CB 3.33Å; Q2857-Q2861 VanDerWaalsContact O-CG 3.23Å; Q2857-Q2861 WeakPolarHBondContact O-CG 3.37Å; Q2857-Q2861 PolarHBondContact O-N 3.28Å; I2858-Q2861 PolarHBondContact O-N 3.23Å; T2859-Q2861 VanDerWaalsContact C-N 3.34Å; Q2861-F2863 VanDerWaalsContact C-N 3.27Å; Q2861-F2863 PolarHBondContact O-N 3.08Å; Q2861-A2864 WeakPolarHBondContact O-CB 3.31Å; Q2861-A2864 PolarHBondContact O-N 3.26Å; Q2861-Q2865 WeakPolarHBondContact O-CB 3.33Å; Q2861-Q2865 PolarHBondContact O-N 3.05Å; Q2861-Y2882 HydrophobicContact CB-CD2 4.48Å; Q2861-Y2882 HydrophobicContact CB-CE2 4.29Å; Q2861-S2885 PolarHBondContact N-OG 2.78Å
2862	N	87.3	Confident	82.7	Confident	82 Å²	82	64.3 Å²	64.3	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-37.7	175.5	-68.8	-10.4	0	0	0	111.6	I2858 N2866	I2858-N2862 WeakPolarHBondContact O-CB 3.37Å; I2858-N2862 PolarHBondContact O-N 3.34Å; I2858-N2862 PolarHBondContact O-ND2 3.47Å; I2858-N2862 PolarHBondContact O-OD1 3.1Å; N2862-N2866 PolarHBondContact O-N 3.08Å; N2862-N2866 VanDerWaalsContact O-N 3.14Å; N2862-N2866 PolarHBondContact O-ND2 3.22Å
2863	F	87.9	Confident	84.1	Confident	51 Å²	51	61.6 Å²	61.6	22%	0.224	30%	0.3	C	S	.	.	H	α-helix	trans	-69	-40.9	175.2	-169.9	-96.4	0	0	0	112.2	W2824 T2827 T2859 Q2861 N2866 R2867	W2824-F2863 HydrophobicContact CB-CD1 4.23Å; W2824-F2863 HydrophobicContact CB-CE1 4.39Å; W2824-F2863 WeakPolarHBondContact O-CE1 3.42Å; T2827-F2863 HydrophobicContact CG2-CB 3.98Å; T2827-F2863 HydrophobicContact CG2-CD1 4.12Å; T2827-F2863 HydrophobicContact CG2-CD2 4.5Å; T2827-F2863 HydrophobicContact CG2-CG 3.95Å; T2859-F2863 WeakPolarHBondContact O-CB 3.22Å; T2859-F2863 PolarHBondContact O-N 3.03Å; Q2861-F2863 VanDerWaalsContact C-N 3.27Å; Q2861-F2863 PolarHBondContact O-N 3.08Å; F2863-N2866 PolarHBondContact O-N 2.99Å; F2863-R2867 HydrophobicContact CD1-CG 4.4Å; F2863-R2867 HydrophobicContact CE1-CG 4.16Å; F2863-R2867 HydrophobicContact CZ-CG 4.46Å; F2863-R2867 WeakPolarHBondContact O-CG 3.41Å; F2863-R2867 PolarHBondContact O-N 2.81Å
2864	A	89.6	Confident	85.3	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-45.9	173.5	0	0	0	0	0	111.4	W2824 S2860 Q2861 N2866 R2867 I2868 Y2882	W2824-A2864 HydrophobicContact CD2-CB 4.38Å; W2824-A2864 HydrophobicContact CG-CB 3.89Å; S2860-A2864 VanDerWaalsContact O-CB 3.31Å; S2860-A2864 WeakPolarHBondContact O-CB 3.43Å; S2860-A2864 PolarHBondContact O-N 2.91Å; Q2861-A2864 WeakPolarHBondContact O-CB 3.31Å; Q2861-A2864 PolarHBondContact O-N 3.26Å; A2864-N2866 PolarHBondContact O-N 2.81Å; A2864-R2867 CarbonylContact O-C 3.53Å; A2864-R2867 WeakPolarHBondContact O-CA 3.13Å; A2864-R2867 PolarHBondContact O-N 3.16Å; A2864-I2868 HydrophobicContact CB-CD1 4.33Å; A2864-I2868 WeakPolarHBondContact O-CD1 3.27Å; A2864-I2868 VanDerWaalsContact O-CG1 3.24Å; A2864-I2868 WeakPolarHBondContact O-CG1 3.19Å; A2864-I2868 PolarHBondContact O-N 3.28Å; A2864-I2868 VanDerWaalsContact O-N 3.13Å; A2864-Y2882 HydrophobicContact CB-CD2 4.1Å; A2864-Y2882 HydrophobicContact CB-CG 4.34Å
2865	Q	90.2	Very high	86	Confident	63 Å²	63	59.4 Å²	59.4	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-54.4	-49.4	176.8	-173.7	-178.2	3.2	0	0	111.3	Q2861 R2867 I2868 Y2882	Q2861-Q2865 WeakPolarHBondContact O-CB 3.33Å; Q2861-Q2865 PolarHBondContact O-N 3.05Å; Q2865-R2867 PolarHBondContact O-N 3.06Å; Q2865-R2867 VanDerWaalsContact O-N 3.1Å; Q2865-I2868 PolarHBondContact O-N 2.57Å; Q2865-I2868 VanDerWaalsContact O-N 3.1Å; Q2865-Y2882 HydrophobicContact CB-CE2 4.22Å
2866	N	90.3	Very high	86.4	Confident	118 Å²	118	59.3 Å²	59.3	63%	0.631	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-11	177.8	-68.4	-16	0	0	0	114.8	N2862 F2863 A2864	N2862-N2866 PolarHBondContact O-N 3.08Å; N2862-N2866 VanDerWaalsContact O-N 3.14Å; N2862-N2866 PolarHBondContact O-ND2 3.22Å; F2863-N2866 PolarHBondContact O-N 2.99Å; A2864-N2866 PolarHBondContact O-N 2.81Å
2867	R	92.1	Very high	87	Confident	40.5 Å²	40.5	56.3 Å²	56.3	15%	0.153	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-1.1	177.1	-62.7	-63.2	-69	166.2	-6.9	112.5	N2762 N2765 D2766 E2768 L2769 W2824 F2863 A2864 Q2865	N2762-R2867 PolarHBondContact O-NH2 2.87Å; N2765-R2867 PolarHBondContact O-NH1 3.03Å; N2765-R2867 PolarHBondContact O-NH2 3.3Å; D2766-R2867 PolarHBondContact O-NH1 3.16Å; E2768-R2867 HydrophobicContact CG-CB 4.28Å; E2768-R2867 PolarHBondContact N-O 2.95Å; E2768-R2867 IonicContact OE1-CZ 3.21Å; E2768-R2867 IonicContact OE1-NE 3.09Å; E2768-R2867 IonicContact OE1-NH2 3.71Å; E2768-R2867 PolarHBondContact OE1-NH2 3.36Å; L2769-R2867 PolarHBondContact N-O 3.18Å; W2824-R2867 HydrophobicContact CE3-CB 4.43Å; F2863-R2867 HydrophobicContact CD1-CG 4.4Å; F2863-R2867 HydrophobicContact CE1-CG 4.16Å; F2863-R2867 HydrophobicContact CZ-CG 4.46Å; F2863-R2867 WeakPolarHBondContact O-CG 3.41Å; F2863-R2867 PolarHBondContact O-N 2.81Å; A2864-R2867 CarbonylContact O-C 3.53Å; A2864-R2867 WeakPolarHBondContact O-CA 3.13Å; A2864-R2867 PolarHBondContact O-N 3.16Å; Q2865-R2867 PolarHBondContact O-N 3.06Å; Q2865-R2867 VanDerWaalsContact O-N 3.1Å
2868	I	94.2	Very high	87.7	Confident	2.5 Å²	2.5	52.3 Å²	52.3	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.1	-179.9	-63.3	164.9	0	0	0	107.6	L2769 W2824 A2864 Q2865 D2870 V2880 Y2882	L2769-I2868 HydrophobicContact CB-CG1 4.31Å; L2769-I2868 HydrophobicContact CD2-CG2 4.45Å; L2769-I2868 CarbonylContact O-C 3.52Å; L2769-I2868 VanDerWaalsContact O-CA 3.29Å; L2769-I2868 WeakPolarHBondContact O-CA 3.23Å; W2824-I2868 HydrophobicContact CD2-CD1 4.48Å; W2824-I2868 HydrophobicContact CE3-CG1 4.36Å; W2824-I2868 HydrophobicContact CH2-CD1 3.81Å; W2824-I2868 HydrophobicContact CH2-CG1 3.83Å; W2824-I2868 HydrophobicContact CZ2-CD1 3.66Å; W2824-I2868 HydrophobicContact CZ2-CG1 4.19Å; W2824-I2868 HydrophobicContact CZ3-CD1 4.31Å; W2824-I2868 HydrophobicContact CZ3-CG1 3.93Å; A2864-I2868 HydrophobicContact CB-CD1 4.33Å; A2864-I2868 WeakPolarHBondContact O-CD1 3.27Å; A2864-I2868 VanDerWaalsContact O-CG1 3.24Å; A2864-I2868 WeakPolarHBondContact O-CG1 3.19Å; A2864-I2868 PolarHBondContact O-N 3.28Å; A2864-I2868 VanDerWaalsContact O-N 3.13Å; Q2865-I2868 PolarHBondContact O-N 2.57Å; Q2865-I2868 VanDerWaalsContact O-N 3.1Å; I2868-D2870 HydrophobicContact CG2-CB 4Å; I2868-V2880 HydrophobicContact CD1-CG1 4.29Å; I2868-V2880 HydrophobicContact CG2-CB 4.12Å; I2868-V2880 HydrophobicContact CG2-CG1 4.35Å; I2868-V2880 HydrophobicContact CG2-CG2 3.94Å; I2868-Y2882 HydrophobicContact CD1-CD1 3.67Å; I2868-Y2882 HydrophobicContact CD1-CE1 4.49Å; I2868-Y2882 HydrophobicContact CD1-CG 3.85Å
2869	Y	93	Very high	88.2	Confident	39 Å²	39	53.6 Å²	53.6	15%	0.153	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	108.8	170.3	-166	-83.6	0	0	0	109	K2742 Y2767 L2769 V2770 T2771 D2873 D2874 L2877	K2742-Y2869 PolarHBondContact NZ-OH 3.2Å; Y2767-Y2869 AromaticContact CE1-CD2 3.89Å; Y2767-Y2869 HydrophobicContact CE1-CD2 3.89Å; Y2767-Y2869 HydrophobicContact CE1-CG 4.49Å; Y2767-Y2869 HydrophobicContact CE2-CD2 4.14Å; Y2767-Y2869 AromaticContact CZ-CD2 3.65Å; L2769-Y2869 PolarHBondContact O-N 3.22Å; V2770-Y2869 HydrophobicContact CG1-CD1 4.36Å; T2771-Y2869 PolarHBondContact N-O 3.27Å; T2771-Y2869 VanDerWaalsContact N-O 3.08Å; T2771-Y2869 PolarHBondContact OG1-O 3.02Å; Y2869-D2873 VanDerWaalsContact CA-OD2 3.29Å; Y2869-D2873 WeakPolarHBondContact CA-OD2 3.39Å; Y2869-D2873 HydrophobicContact CD1-CB 4.38Å; Y2869-D2873 HydrophobicContact CD2-CB 3.84Å; Y2869-D2873 HydrophobicContact CE1-CB 4.08Å; Y2869-D2873 HydrophobicContact CE2-CB 3.58Å; Y2869-D2873 HydrophobicContact CG-CB 4.24Å; Y2869-D2874 HydrophobicContact CE1-CB 4.2Å; Y2869-L2877 HydrophobicContact CD1-CD1 3.27Å; Y2869-L2877 HydrophobicContact CE1-CD1 3.29Å
2870	D	92.3	Very high	88.8	Confident	2.5 Å²	2.5	52.1 Å²	52.1	1%	0.013	24%	0.242	C	C	.	.	S	Bend	trans	-140.9	-162.2	-170.9	91.4	-20.3	0	0	0	114.2	T2771 I2868 Q2872 D2873 D2874 I2878 V2880	T2771-D2870 HydrophobicContact CG2-CB 4.4Å; I2868-D2870 HydrophobicContact CG2-CB 4Å; D2870-Q2872 PolarHBondContact O-N 3.32Å; D2870-Q2872 VanDerWaalsContact O-N 3.12Å; D2870-Q2872 WeakPolarHBondContact OD1-CB 3.3Å; D2870-Q2872 PolarHBondContact OD1-N 3.37Å; D2870-D2873 PolarHBondContact N-OD2 3.21Å; D2870-D2873 PolarHBondContact O-N 2.72Å; D2870-D2873 VanDerWaalsContact O-N 3.07Å; D2870-D2874 PolarHBondContact O-N 2.94Å; D2870-D2874 VanDerWaalsContact O-N 3.1Å; D2870-I2878 WeakPolarHBondContact CB-O 3.06Å; D2870-V2880 HydrophobicContact CB-CB 4.24Å; D2870-V2880 HydrophobicContact CB-CG2 3.75Å; D2870-V2880 PolarHBondContact OD2-N 3.29Å
2871	Y	88.5	Confident	89.3	Confident	71 Å²	71	53.5 Å²	53.5	28%	0.278	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-30.1	174.9	178.1	-94.9	0	0	0	115.1	R2803 D2874 F2875 I2878 K2879	R2803-Y2871 PolarHBondContact NH1-OH 2.8Å; Y2871-D2874 CarbonylContact C-O 3.56Å; Y2871-D2874 VanDerWaalsContact CA-O 3.27Å; Y2871-D2874 WeakPolarHBondContact CA-O 3.4Å; Y2871-D2874 CarbonylContact O-C 3.5Å; Y2871-D2874 VanDerWaalsContact O-C 3.31Å; Y2871-F2875 VanDerWaalsContact CD2-O 3.3Å; Y2871-F2875 WeakPolarHBondContact CD2-O 3.2Å; Y2871-F2875 HydrophobicContact CE1-CD1 4.19Å; Y2871-F2875 HydrophobicContact CE2-CB 4.27Å; Y2871-F2875 HydrophobicContact CE2-CD1 4.15Å; Y2871-F2875 VanDerWaalsContact CE2-O 3.27Å; Y2871-F2875 WeakPolarHBondContact CE2-O 3.42Å; Y2871-F2875 AromaticContact CZ-CD1 3.78Å; Y2871-I2878 PolarHBondContact N-O 3.27Å; Y2871-K2879 HydrophobicContact CG-CB 4.45Å
2872	Q	88.6	Confident	89.6	Confident	95.5 Å²	95.5	52.1 Å²	52.1	45%	0.446	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-29.2	-179.5	-66.7	-179.7	-28.5	0	0	112.8	D2870 Y2882	D2870-Q2872 PolarHBondContact O-N 3.32Å; D2870-Q2872 VanDerWaalsContact O-N 3.12Å; D2870-Q2872 WeakPolarHBondContact OD1-CB 3.3Å; D2870-Q2872 PolarHBondContact OD1-N 3.37Å; Q2872-Y2882 PolarHBondContact NE2-OH 2.82Å; Q2872-Y2882 PolarHBondContact OE1-OH 3.01Å
2873	D	89.9	Confident	89.5	Confident	77.5 Å²	77.5	49.6 Å²	49.6	41%	0.414	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-35.2	175.5	-53.7	-76.7	0	0	0	111.6	Y2869 D2870	Y2869-D2873 VanDerWaalsContact CA-OD2 3.29Å; Y2869-D2873 WeakPolarHBondContact CA-OD2 3.39Å; Y2869-D2873 HydrophobicContact CD1-CB 4.38Å; Y2869-D2873 HydrophobicContact CD2-CB 3.84Å; Y2869-D2873 HydrophobicContact CE1-CB 4.08Å; Y2869-D2873 HydrophobicContact CE2-CB 3.58Å; Y2869-D2873 HydrophobicContact CG-CB 4.24Å; D2870-D2873 PolarHBondContact N-OD2 3.21Å; D2870-D2873 PolarHBondContact O-N 2.72Å; D2870-D2873 VanDerWaalsContact O-N 3.07Å
2874	D	87	Confident	89.6	Confident	53.5 Å²	53.5	50.3 Å²	50.3	29%	0.286	24%	0.239	S	C	.	.			trans	-146.5	117.4	178	178.2	-9.8	0	0	0	110.4	Y2869 D2870 Y2871 Y2876 L2877	Y2869-D2874 HydrophobicContact CE1-CB 4.2Å; D2870-D2874 PolarHBondContact O-N 2.94Å; D2870-D2874 VanDerWaalsContact O-N 3.1Å; Y2871-D2874 CarbonylContact C-O 3.56Å; Y2871-D2874 VanDerWaalsContact CA-O 3.27Å; Y2871-D2874 WeakPolarHBondContact CA-O 3.4Å; Y2871-D2874 CarbonylContact O-C 3.5Å; Y2871-D2874 VanDerWaalsContact O-C 3.31Å; D2874-Y2876 PolarHBondContact O-N 3.27Å; D2874-Y2876 VanDerWaalsContact OD1-CD2 3.3Å; D2874-Y2876 WeakPolarHBondContact OD1-CD2 3.33Å; D2874-Y2876 PolarHBondContact OD1-N 3Å; D2874-L2877 HydrophobicContact CB-CD1 4.13Å; D2874-L2877 HydrophobicContact CB-CG 3.96Å; D2874-L2877 VanDerWaalsContact O-CB 3.31Å; D2874-L2877 WeakPolarHBondContact O-CB 3.34Å; D2874-L2877 PolarHBondContact O-N 3.45Å
2875	F	82.4	Confident	89.5	Confident	123.5 Å²	123.5	50.6 Å²	50.6	54%	0.542	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.6	-176.2	-62.1	-72.2	0	0	0	115	Y2871 L2877	Y2871-F2875 VanDerWaalsContact CD2-O 3.3Å; Y2871-F2875 WeakPolarHBondContact CD2-O 3.2Å; Y2871-F2875 HydrophobicContact CE1-CD1 4.19Å; Y2871-F2875 HydrophobicContact CE2-CB 4.27Å; Y2871-F2875 HydrophobicContact CE2-CD1 4.15Å; Y2871-F2875 VanDerWaalsContact CE2-O 3.27Å; Y2871-F2875 WeakPolarHBondContact CE2-O 3.42Å; Y2871-F2875 AromaticContact CZ-CD1 3.78Å; F2875-L2877 VanDerWaalsContact C-N 3.3Å
2876	Y	82	Confident	89.3	Confident	92.5 Å²	92.5	50 Å²	50	36%	0.363	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.6	176.5	-62.8	-63.3	0	0	0	113.8	N2773 Q2774 S2775 I2776 E2805 D2874	N2773-Y2876 CarbonylContact C-O 3.47Å; N2773-Y2876 WeakPolarHBondContact CA-O 2.98Å; N2773-Y2876 PolarHBondContact OD1-O 3.18Å; Q2774-Y2876 WeakPolarHBondContact CG-O 3.12Å; Q2774-Y2876 PolarHBondContact N-O 3.21Å; S2775-Y2876 PolarHBondContact OG-O 2.93Å; I2776-Y2876 HydrophobicContact CD1-CD1 3.36Å; I2776-Y2876 HydrophobicContact CD1-CE1 3.43Å; I2776-Y2876 VanDerWaalsContact CD1-CE1 3.43Å; I2776-Y2876 HydrophobicContact CG1-CD1 4.38Å; E2805-Y2876 WeakPolarHBondContact OE1-CE1 3.35Å; E2805-Y2876 PolarHBondContact OE1-OH 3.35Å; E2805-Y2876 WeakPolarHBondContact OE2-CE1 3.48Å; D2874-Y2876 PolarHBondContact O-N 3.27Å; D2874-Y2876 VanDerWaalsContact OD1-CD2 3.3Å; D2874-Y2876 WeakPolarHBondContact OD1-CD2 3.33Å; D2874-Y2876 PolarHBondContact OD1-N 3Å
2877	L	87.2	Confident	88.9	Confident	9 Å²	9	47.3 Å²	47.3	5%	0.047	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-86.7	160.8	-178.2	-66.1	-167.2	0	0	0	113.6	T2771 G2772 N2773 Q2774 S2775 Y2869 D2874 F2875	T2771-L2877 WeakPolarHBondContact O-CD2 3.35Å; T2771-L2877 WeakPolarHBondContact OG1-CB 3.38Å; G2772-L2877 VanDerWaalsContact C-CD2 3.48Å; N2773-L2877 HydrophobicContact CB-CD2 4.29Å; Q2774-L2877 WeakPolarHBondContact CG-O 3.34Å; Q2774-L2877 PolarHBondContact NE2-O 2.8Å; S2775-L2877 VanDerWaalsContact OG-C 3.3Å; S2775-L2877 PolarHBondContact OG-O 3.48Å; Y2869-L2877 HydrophobicContact CD1-CD1 3.27Å; Y2869-L2877 HydrophobicContact CE1-CD1 3.29Å; D2874-L2877 HydrophobicContact CB-CD1 4.13Å; D2874-L2877 HydrophobicContact CB-CG 3.96Å; D2874-L2877 VanDerWaalsContact O-CB 3.31Å; D2874-L2877 WeakPolarHBondContact O-CB 3.34Å; D2874-L2877 PolarHBondContact O-N 3.45Å; F2875-L2877 VanDerWaalsContact C-N 3.3Å
2878	I	88.9	Confident	88.3	Confident	4.5 Å²	4.5	47.6 Å²	47.6	2%	0.023	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-73.1	133.8	176.2	-62.6	163.8	0	0	0	109	K2749 T2771 G2772 Q2774 I2817 D2870 Y2871	K2749-I2878 WeakPolarHBondContact O-CD1 3.39Å; T2771-I2878 WeakPolarHBondContact CB-O 3.4Å; T2771-I2878 HydrophobicContact CG2-CB 4.42Å; T2771-I2878 WeakPolarHBondContact CG2-O 3.02Å; T2771-I2878 PolarHBondContact OG1-N 2.9Å; T2771-I2878 PolarHBondContact OG1-O 3.14Å; G2772-I2878 WeakPolarHBondContact O-CG1 3.49Å; G2772-I2878 PolarHBondContact O-N 3.26Å; G2772-I2878 VanDerWaalsContact O-N 3.07Å; Q2774-I2878 HydrophobicContact CB-CD1 4.29Å; Q2774-I2878 HydrophobicContact CG-CG1 4.18Å; I2817-I2878 HydrophobicContact CD1-CB 4.48Å; I2817-I2878 HydrophobicContact CD1-CG2 4.1Å; I2817-I2878 HydrophobicContact CG1-CG2 3.98Å; D2870-I2878 WeakPolarHBondContact CB-O 3.06Å; Y2871-I2878 PolarHBondContact N-O 3.27Å
2879	K	90.4	Very high	87.7	Confident	102 Å²	102	49.1 Å²	49.1	44%	0.443	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	140.4	176.4	-175.2	177.2	178.5	-177.8	0	111.3	Q2816 I2817 Y2871	Q2816-K2879 CarbonylContact C-O 3.39Å; Q2816-K2879 WeakPolarHBondContact CA-O 3.46Å; Q2816-K2879 HydrophobicContact CB-CB 4.13Å; Q2816-K2879 HydrophobicContact CB-CG 4.32Å; Q2816-K2879 VanDerWaalsContact CB-O 3.24Å; Q2816-K2879 WeakPolarHBondContact CB-O 3.31Å; I2817-K2879 PolarHBondContact N-O 3.33Å; Y2871-K2879 HydrophobicContact CG-CB 4.45Å
2880	V	93.4	Very high	86.9	Confident	3.5 Å²	3.5	49.2 Å²	49.2	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.9	173.8	-177.7	0	0	0	0	110.1	L2769 T2771 I2817 A2819 I2868 D2870 Y2882	L2769-V2880 HydrophobicContact CD2-CG1 3.96Å; L2769-V2880 HydrophobicContact CD2-CG2 4.08Å; T2771-V2880 HydrophobicContact CG2-CG2 3.37Å; I2817-V2880 HydrophobicContact CB-CG2 4.31Å; A2819-V2880 HydrophobicContact CB-CG1 3.48Å; A2819-V2880 VanDerWaalsContact CB-CG1 3.44Å; I2868-V2880 HydrophobicContact CD1-CG1 4.29Å; I2868-V2880 HydrophobicContact CG2-CB 4.12Å; I2868-V2880 HydrophobicContact CG2-CG1 4.35Å; I2868-V2880 HydrophobicContact CG2-CG2 3.94Å; D2870-V2880 HydrophobicContact CB-CB 4.24Å; D2870-V2880 HydrophobicContact CB-CG2 3.75Å; D2870-V2880 PolarHBondContact OD2-N 3.29Å; V2880-Y2882 HydrophobicContact CB-CD1 4.31Å; V2880-Y2882 HydrophobicContact CG1-CD1 4.19Å; V2880-Y2882 WeakPolarHBondContact O-CD1 3.4Å
2881	N	93.8	Very high	86.2	Confident	35.5 Å²	35.5	52 Å²	52	19%	0.19	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	95	171.3	-178.4	-1.2	0	0	0	109.9	Q2816 I2817 A2819 Q2820 A2883	Q2816-N2881 HydrophobicContact CG-CB 4.2Å; Q2816-N2881 PolarHBondContact NE2-ND2 2.73Å; I2817-N2881 PolarHBondContact O-N 2.99Å; A2819-N2881 CarbonylContact C-O 3.54Å; A2819-N2881 VanDerWaalsContact C-O 3.25Å; A2819-N2881 WeakPolarHBondContact CA-O 3.41Å; A2819-N2881 PolarHBondContact N-O 3.14Å; Q2820-N2881 PolarHBondContact N-O 2.9Å; Q2820-N2881 PolarHBondContact NE2-ND2 3.11Å; Q2820-N2881 VanDerWaalsContact NE2-ND2 3.12Å; Q2820-N2881 PolarHBondContact NE2-OD1 2.96Å; Q2820-N2881 VanDerWaalsContact NE2-OD1 3.11Å; N2881-A2883 VanDerWaalsContact OD1-CB 3.26Å; N2881-A2883 WeakPolarHBondContact OD1-CB 3.2Å; N2881-A2883 PolarHBondContact OD1-N 3.09Å
2882	Y	91.8	Very high	85.7	Confident	27.5 Å²	27.5	50.1 Å²	50.1	11%	0.108	26%	0.26	C	S	.	.			trans	-100.6	23.1	176.6	51.3	-97.3	0	0	0	112.8	Q2861 A2864 Q2865 I2868 Q2872 V2880 S2885	Q2861-Y2882 HydrophobicContact CB-CD2 4.48Å; Q2861-Y2882 HydrophobicContact CB-CE2 4.29Å; A2864-Y2882 HydrophobicContact CB-CD2 4.1Å; A2864-Y2882 HydrophobicContact CB-CG 4.34Å; Q2865-Y2882 HydrophobicContact CB-CE2 4.22Å; I2868-Y2882 HydrophobicContact CD1-CD1 3.67Å; I2868-Y2882 HydrophobicContact CD1-CE1 4.49Å; I2868-Y2882 HydrophobicContact CD1-CG 3.85Å; Q2872-Y2882 PolarHBondContact NE2-OH 2.82Å; Q2872-Y2882 PolarHBondContact OE1-OH 3.01Å; V2880-Y2882 HydrophobicContact CB-CD1 4.31Å; V2880-Y2882 HydrophobicContact CG1-CD1 4.19Å; V2880-Y2882 WeakPolarHBondContact O-CD1 3.4Å; Y2882-S2885 PolarHBondContact O-N 3.06Å
2883	A	86.9	Confident	85.2	Confident	29.5 Å²	29.5	47 Å²	47	24%	0.244	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	151.2	174.1	0	0	0	0	0	111.2	Q2820 N2881 S2885	Q2820-A2883 VanDerWaalsContact CA-O 3.28Å; Q2820-A2883 WeakPolarHBondContact CA-O 3.1Å; Q2820-A2883 VanDerWaalsContact CB-O 3.27Å; Q2820-A2883 WeakPolarHBondContact CB-O 3.19Å; Q2820-A2883 HydrophobicContact CG-CB 4.4Å; Q2820-A2883 VanDerWaalsContact CG-O 3.23Å; Q2820-A2883 WeakPolarHBondContact CG-O 3.44Å; N2881-A2883 VanDerWaalsContact OD1-CB 3.26Å; N2881-A2883 WeakPolarHBondContact OD1-CB 3.2Å; N2881-A2883 PolarHBondContact OD1-N 3.09Å; A2883-S2885 VanDerWaalsContact C-N 3.31Å; A2883-S2885 PolarHBondContact O-N 3.04Å
2884	N	88.8	Confident	84.4	Confident	65 Å²	65	45.5 Å²	45.5	35%	0.348	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	34.9	-176.9	-52.5	-28.4	0	0	0	114.1	Y2821	Y2821-N2884 WeakPolarHBondContact CA-O 3.31Å; Y2821-N2884 HydrophobicContact CD1-CB 3.89Å; Y2821-N2884 HydrophobicContact CE1-CB 3.54Å; Y2821-N2884 PolarHBondContact N-O 3.01Å; Y2821-N2884 PolarHBondContact OH-ND2 3.26Å
2885	S	87.2	Confident	83.4	Confident	7.5 Å²	7.5	51 Å²	51	5%	0.052	27%	0.273	C	S	.	.			trans	-61.8	137.1	169.7	58.2	0	0	0	0	110.8	S2860 Q2861 Y2882 A2883 L2887	S2860-S2885 WeakPolarHBondContact CB-O 3.46Å; S2860-S2885 VanDerWaalsContact CB-OG 3.29Å; S2860-S2885 WeakPolarHBondContact CB-OG 3.41Å; S2860-S2885 PolarHBondContact O-OG 2.94Å; S2860-S2885 PolarHBondContact OG-O 3.16Å; S2860-S2885 PolarHBondContact OG-OG 3.14Å; Q2861-S2885 PolarHBondContact N-OG 2.78Å; Y2882-S2885 PolarHBondContact O-N 3.06Å; A2883-S2885 VanDerWaalsContact C-N 3.31Å; A2883-S2885 PolarHBondContact O-N 3.04Å; S2885-L2887 PolarHBondContact O-N 3.01Å
2886	Y	87.1	Confident	82.6	Confident	49 Å²	49	45.4 Å²	45.4	19%	0.192	25%	0.25	C	S	.	.			trans	-73.5	131.3	-177.1	-68.2	-52	0	0	0	111.3	Y2757 Y2821 N2822 W2823 S2891 T2892	Y2757-Y2886 HydrophobicContact CD1-CE2 4.08Å; Y2757-Y2886 WeakPolarHBondContact CD1-OH 3.34Å; Y2757-Y2886 VanDerWaalsContact CE1-OH 3.27Å; Y2757-Y2886 WeakPolarHBondContact CE1-OH 3.26Å; Y2821-Y2886 HydrophobicContact CD1-CE1 4.36Å; Y2821-Y2886 WeakPolarHBondContact O-CD2 3.22Å; Y2821-Y2886 WeakPolarHBondContact O-CE2 3.46Å; N2822-Y2886 PolarHBondContact O-N 3.26Å; W2823-Y2886 VanDerWaalsContact CD1-O 3.32Å; Y2886-S2891 VanDerWaalsContact CE1-CB 3.43Å; Y2886-T2892 HydrophobicContact CD2-CG2 3.51Å; Y2886-T2892 VanDerWaalsContact CD2-CG2 3.42Å; Y2886-T2892 HydrophobicContact CE2-CG2 3.83Å
2887	L	81.4	Confident	82.1	Confident	61.5 Å²	61.5	44.1 Å²	44.1	32%	0.322	25%	0.249	S	C	.	.	S	Bend	trans	-69.1	-37.1	174.3	-175	73.8	0	0	0	112.1	T2827 N2856 S2885	T2827-L2887 HydrophobicContact CG2-CD1 4.23Å; T2827-L2887 PolarHBondContact OG1-O 3.4Å; N2856-L2887 HydrophobicContact CB-CD2 3.99Å; S2885-L2887 PolarHBondContact O-N 3.01Å
2888	S	80.4	Confident	81.7	Confident	48 Å²	48	49.1 Å²	49.1	34%	0.336	27%	0.268	S	S	.	.	S	Bend	trans	-126.4	153.6	-177.1	71.1	0	0	0	0	111.7	W2823 S2890	W2823-S2888 VanDerWaalsContact CD1-C 3.4Å; S2888-S2890 PolarHBondContact O-N 2.87Å; S2888-S2890 PolarHBondContact OG-OG 3.45Å
2889	N	81.2	Confident	81.6	Confident	34 Å²	34	49.1 Å²	49.1	18%	0.182	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.3	176.9	63.6	-14.3	0	0	0	113.7	Y2759 W2823 S2891 T2892 L2893	Y2759-N2889 HydrophobicContact CE2-CB 4.1Å; W2823-N2889 HydrophobicContact CD2-CB 4Å; W2823-N2889 HydrophobicContact CE3-CB 4.34Å; W2823-N2889 HydrophobicContact CG-CB 4.43Å; W2823-N2889 HydrophobicContact CH2-CB 4.26Å; W2823-N2889 HydrophobicContact CZ2-CB 3.94Å; W2823-N2889 HydrophobicContact CZ3-CB 4.47Å; N2889-S2891 VanDerWaalsContact C-N 3.27Å; N2889-S2891 PolarHBondContact O-N 3.02Å; N2889-T2892 PolarHBondContact O-N 3.24Å; N2889-T2892 PolarHBondContact O-OG1 3.43Å; N2889-L2893 HydrophobicContact CB-CD1 4.15Å; N2889-L2893 WeakPolarHBondContact O-CB 3.44Å; N2889-L2893 WeakPolarHBondContact O-CG 3.44Å; N2889-L2893 PolarHBondContact O-N 3.29Å
2890	S	76.8	Confident	81.4	Confident	40.5 Å²	40.5	44.5 Å²	44.5	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-33.2	-178	66.6	0	0	0	0	113.4	S2888 T2892 G2894 I2897	S2888-S2890 PolarHBondContact O-N 2.87Å; S2888-S2890 PolarHBondContact OG-OG 3.45Å; S2890-T2892 VanDerWaalsContact C-N 3.32Å; S2890-T2892 PolarHBondContact O-N 3.26Å; S2890-G2894 VanDerWaalsContact O-CA 3.27Å; S2890-G2894 WeakPolarHBondContact O-CA 3.24Å; S2890-G2894 PolarHBondContact O-N 3Å; S2890-I2897 VanDerWaalsContact CB-CD1 3.48Å
2891	S	77.6	Confident	81.1	Confident	62.5 Å²	62.5	44.4 Å²	44.4	44%	0.437	25%	0.248	S	C	.	.	H	α-helix	trans	-72	-25.6	178.3	-55.2	0	0	0	0	113.2	Y2886 N2889	Y2886-S2891 VanDerWaalsContact CE1-CB 3.43Å; N2889-S2891 VanDerWaalsContact C-N 3.27Å; N2889-S2891 PolarHBondContact O-N 3.02Å
2892	T	77	Confident	80.9	Confident	31 Å²	31	44.3 Å²	44.3	19%	0.19	25%	0.248	C	C	.	.	H	α-helix	trans	-89.9	-36.4	175.6	51.6	0	0	0	0	113	W2823 Y2886 N2889 S2890	W2823-T2892 HydrophobicContact CB-CG2 3.75Å; Y2886-T2892 HydrophobicContact CD2-CG2 3.51Å; Y2886-T2892 VanDerWaalsContact CD2-CG2 3.42Å; Y2886-T2892 HydrophobicContact CE2-CG2 3.83Å; N2889-T2892 PolarHBondContact O-N 3.24Å; N2889-T2892 PolarHBondContact O-OG1 3.43Å; S2890-T2892 VanDerWaalsContact C-N 3.32Å; S2890-T2892 PolarHBondContact O-N 3.26Å
2893	L	78.6	Confident	80.8	Confident	30.5 Å²	30.5	43.6 Å²	43.6	16%	0.16	25%	0.245	C	C	.	.	H	α-helix	trans	-94.4	-12	-176.1	-60	179.9	0	0	0	113.7	Y2759 N2889 Q2895 G2896 P2901	Y2759-L2893 HydrophobicContact CD2-CD1 4.21Å; Y2759-L2893 HydrophobicContact CD2-CD2 4.12Å; Y2759-L2893 HydrophobicContact CD2-CG 4.21Å; Y2759-L2893 HydrophobicContact CE2-CD1 3.94Å; Y2759-L2893 HydrophobicContact CE2-CG 4.44Å; N2889-L2893 HydrophobicContact CB-CD1 4.15Å; N2889-L2893 WeakPolarHBondContact O-CB 3.44Å; N2889-L2893 WeakPolarHBondContact O-CG 3.44Å; N2889-L2893 PolarHBondContact O-N 3.29Å; L2893-Q2895 PolarHBondContact O-N 2.61Å; L2893-G2896 PolarHBondContact O-N 3.34Å; L2893-P2901 HydrophobicContact CD2-CB 3.98Å
2894	G	73.5	Confident	80.9	Confident	44.5 Å²	44.5	44.5 Å²	44.5	46%	0.459	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	60.4	-127.4	-176.5	0	0	0	0	0	111.9	S2890 G2896 I2897	S2890-G2894 VanDerWaalsContact O-CA 3.27Å; S2890-G2894 WeakPolarHBondContact O-CA 3.24Å; S2890-G2894 PolarHBondContact O-N 3Å; G2894-G2896 PolarHBondContact O-N 2.78Å; G2894-I2897 WeakPolarHBondContact O-CG1 3.38Å
2895	Q	64.2	Low	80.8	Confident	169.5 Å²	169.5	43.8 Å²	43.8	79%	0.792	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-67.7	-17.1	175.4	-66.4	177.8	-11.6	0	0	112.8	L2893 I2897	L2893-Q2895 PolarHBondContact O-N 2.61Å; Q2895-I2897 VanDerWaalsContact C-N 3.3Å; Q2895-I2897 PolarHBondContact O-N 3.15Å
2896	G	67.1	Low	80.8	Confident	6.5 Å²	6.5	46.7 Å²	46.7	7%	0.067	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-87.4	30.1	-175.4	0	0	0	0	0	115.9	L2893 G2894 Y2898 C2899	L2893-G2896 PolarHBondContact O-N 3.34Å; G2894-G2896 PolarHBondContact O-N 2.78Å; G2896-Y2898 PolarHBondContact O-N 3.13Å; G2896-Y2898 VanDerWaalsContact O-N 3.07Å; G2896-C2899 WeakPolarHBondContact O-CB 3.34Å; G2896-C2899 PolarHBondContact O-N 3Å
2897	I	70.9	Confident	80.6	Confident	64 Å²	64	49.2 Å²	49.2	33%	0.328	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-35.5	-179.1	-59	172	0	0	0	112.4	S2890 G2894 Q2895	S2890-I2897 VanDerWaalsContact CB-CD1 3.48Å; G2894-I2897 WeakPolarHBondContact O-CG1 3.38Å; Q2895-I2897 VanDerWaalsContact C-N 3.3Å; Q2895-I2897 PolarHBondContact O-N 3.15Å
2898	Y	78.4	Confident	80.6	Confident	115 Å²	115	54.2 Å²	54.2	45%	0.451	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.1	-177.3	-50	-77.3	0	0	0	113.9	G2896 F2905 P3005 Y3006	G2896-Y2898 PolarHBondContact O-N 3.13Å; G2896-Y2898 VanDerWaalsContact O-N 3.07Å; Y2898-F2905 HydrophobicContact CD2-CE2 4.35Å; Y2898-P3005 VanDerWaalsContact CB-CB 3.47Å; Y2898-P3005 HydrophobicContact CG-CB 4.49Å; Y2898-P3005 CarbonylContact O-C 3.56Å; Y2898-P3005 WeakPolarHBondContact O-CA 3.38Å; Y2898-Y3006 WeakPolarHBondContact O-CD2 3.43Å; Y2898-Y3006 PolarHBondContact O-N 2.98Å
2899	C	87	Confident	81	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.027	27%	0.274	C	S	.	.	S	Bend	trans	-101.2	159.9	-179.3	-65.5	0	0	0	0	111.9	G2896 W2903 C2910	G2896-C2899 WeakPolarHBondContact O-CB 3.34Å; G2896-C2899 PolarHBondContact O-N 3Å; C2899-W2903 HydrophobicContact CB-CB 4.01Å; C2899-C2910 WeakPolarHBondContact CA-SG 3.4Å; C2899-C2910 HydrophobicContact CB-CB 3.75Å; C2899-C2910 WeakPolarHBondContact CB-SG 3.32Å; C2899-C2910 VanDerWaalsContact SG-CA 3.54Å; C2899-C2910 WeakPolarHBondContact SG-CB 3.31Å; C2899-C2910 CovalentContact SG-SG 2.03Å; C2899-C2910 PolarHBondContact SG-SG 3.32Å
2900	P	87.1	Confident	81.5	Confident	6.5 Å²	6.5	51.7 Å²	51.7	4%	0.042	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-60.5	154.3	166.7	-12.1	25.7	0	0	0	110.6	F2703 N2902 W2903 K3003 Y3006	F2703-P2900 HydrophobicContact CE2-CB 3.87Å; F2703-P2900 HydrophobicContact CZ-CB 4.09Å; P2900-N2902 PolarHBondContact O-N 3.12Å; P2900-W2903 HydrophobicContact CB-CG 4.1Å; P2900-W2903 HydrophobicContact CG-CD2 4.17Å; P2900-W2903 HydrophobicContact CG-CG 4.1Å; P2900-W2903 VanDerWaalsContact O-CB 3.28Å; P2900-W2903 WeakPolarHBondContact O-CB 3.36Å; P2900-W2903 PolarHBondContact O-N 3.08Å; P2900-K3003 HydrophobicContact CG-CD 4.49Å; P2900-Y3006 HydrophobicContact CG-CE2 4.08Å
2901	P	87	Confident	82.2	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	140.5	-177.7	21.7	-33.3	0	0	0	112.5	F2703 Y2759 L2893 W2903	F2703-P2901 HydrophobicContact CD2-CG 4Å; F2703-P2901 WeakPolarHBondContact CD2-O 3.26Å; F2703-P2901 HydrophobicContact CE2-CG 3.78Å; Y2759-P2901 HydrophobicContact CD1-CB 3.99Å; Y2759-P2901 HydrophobicContact CD1-CG 3.75Å; Y2759-P2901 HydrophobicContact CD2-CB 4.48Å; Y2759-P2901 HydrophobicContact CE1-CG 4.03Å; Y2759-P2901 HydrophobicContact CG-CB 3.95Å; Y2759-P2901 HydrophobicContact CG-CG 4.25Å; L2893-P2901 HydrophobicContact CD2-CB 3.98Å; P2901-W2903 PolarHBondContact O-N 3.21Å
2902	N	88.4	Confident	82.9	Confident	32.5 Å²	32.5	47.4 Å²	47.4	17%	0.174	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	1.2	-177.8	-49.7	-6.5	0	0	0	116.1	N2701 N2702 K2729 P2900 Y2912	N2701-N2902 WeakPolarHBondContact CA-ND2 3.24Å; N2701-N2902 PolarHBondContact O-ND2 3.08Å; N2702-N2902 VanDerWaalsContact C-ND2 3.26Å; N2702-N2902 PolarHBondContact N-ND2 2.76Å; N2702-N2902 PolarHBondContact O-ND2 3.12Å; K2729-N2902 PolarHBondContact O-ND2 3.01Å; K2729-N2902 VanDerWaalsContact O-ND2 3.16Å; K2729-N2902 PolarHBondContact O-OD1 3.15Å; K2729-N2902 VanDerWaalsContact O-OD1 3.05Å; P2900-N2902 PolarHBondContact O-N 3.12Å; N2902-Y2912 HydrophobicContact CB-CE2 4.45Å
2903	W	89.5	Confident	83.7	Confident	13 Å²	13	46.4 Å²	46.4	5%	0.049	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-81.4	140.3	169.2	-68.8	56.6	0	0	0	109.7	F2703 C2899 P2900 P2901 C2910 F2911 Y2912 F2914 V2931 C3001 K3003	F2703-W2903 AromaticContact CE2-NE1 3.79Å; F2703-W2903 AromaticContact CZ-NE1 3.98Å; C2899-W2903 HydrophobicContact CB-CB 4.01Å; P2900-W2903 HydrophobicContact CB-CG 4.1Å; P2900-W2903 HydrophobicContact CG-CD2 4.17Å; P2900-W2903 HydrophobicContact CG-CG 4.1Å; P2900-W2903 VanDerWaalsContact O-CB 3.28Å; P2900-W2903 WeakPolarHBondContact O-CB 3.36Å; P2900-W2903 PolarHBondContact O-N 3.08Å; P2901-W2903 PolarHBondContact O-N 3.21Å; W2903-C2910 HydrophobicContact CB-CB 4.41Å; W2903-C2910 HydrophobicContact CE3-CB 3.93Å; W2903-F2911 VanDerWaalsContact CE3-C 3.47Å; W2903-Y2912 AromaticContact CD1-CD2 3.9Å; W2903-Y2912 HydrophobicContact CD2-CD2 4.21Å; W2903-Y2912 HydrophobicContact CD2-CG 4.29Å; W2903-Y2912 AromaticContact CE2-CD2 3.96Å; W2903-Y2912 AromaticContact CE2-CG 3.97Å; W2903-Y2912 HydrophobicContact CG-CD2 4.13Å; W2903-Y2912 VanDerWaalsContact CH2-CB 3.46Å; W2903-Y2912 HydrophobicContact CH2-CG 4.42Å; W2903-Y2912 HydrophobicContact CZ2-CD2 4.48Å; W2903-Y2912 HydrophobicContact CZ2-CG 4.06Å; W2903-Y2912 VanDerWaalsContact CZ3-CB 3.5Å; W2903-Y2912 AromaticContact NE1-CD2 3.84Å; W2903-F2914 HydrophobicContact CH2-CE2 4.36Å; W2903-F2914 HydrophobicContact CH2-CZ 4.34Å; W2903-F2914 HydrophobicContact CZ2-CZ 4.26Å; W2903-V2931 HydrophobicContact CH2-CG1 3.39Å; W2903-V2931 VanDerWaalsContact CH2-CG1 3.44Å; W2903-V2931 HydrophobicContact CZ2-CG1 3.99Å; W2903-V2931 HydrophobicContact CZ3-CG1 4.3Å; W2903-C3001 HydrophobicContact CH2-CB 4.4Å; W2903-K3003 HydrophobicContact CE3-CB 4.42Å; W2903-K3003 HydrophobicContact CZ3-CB 3.96Å
2904	D	88.8	Confident	84.4	Confident	48 Å²	48	45 Å²	45	26%	0.257	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.8	175.5	-89.4	-31.9	0	0	0	110	F2911 W2944 K2948 W2952	D2904-F2911 PolarHBondContact N-O 2.86Å; D2904-F2911 PolarHBondContact O-N 3.04Å; D2904-W2944 HydrophobicContact CB-CH2 4.16Å; D2904-W2944 HydrophobicContact CB-CZ2 4.07Å; D2904-K2948 IonicContact OD1-NZ 2.86Å; D2904-K2948 VanDerWaalsContact OD2-CD 3.25Å; D2904-K2948 WeakPolarHBondContact OD2-CD 3.31Å; D2904-K2948 WeakPolarHBondContact OD2-CE 3.29Å; D2904-K2948 IonicContact OD2-NZ 3.51Å; D2904-K2948 PolarHBondContact OD2-NZ 2.99Å; D2904-W2952 HydrophobicContact CB-CH2 4.11Å; D2904-W2952 HydrophobicContact CB-CZ2 3.88Å; D2904-W2952 WeakPolarHBondContact OD2-CZ2 3.21Å
2905	F	87.7	Confident	85.2	Confident	51 Å²	51	43 Å²	43	22%	0.224	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131	176.2	176.6	-97.4	0	0	0	110.8	Y2898 F2908 N2909	Y2898-F2905 HydrophobicContact CD2-CE2 4.35Å; F2905-F2908 HydrophobicContact CZ-CD1 4.44Å; F2905-N2909 WeakPolarHBondContact CA-O 3.32Å
2906	Y	86.6	Confident	86.5	Confident	69 Å²	69	34.9 Å²	34.9	27%	0.271	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	130.3	174	-173	-96.3	0	0	0	109.5	F2908 N2909 R2941 W2944	Y2906-F2908 PolarHBondContact O-N 3.13Å; Y2906-N2909 PolarHBondContact N-O 3.32Å; Y2906-N2909 WeakPolarHBondContact O-CA 3.04Å; Y2906-N2909 WeakPolarHBondContact O-CB 3.46Å; Y2906-N2909 PolarHBondContact O-N 2.99Å; Y2906-N2909 VanDerWaalsContact O-O 3.1Å; Y2906-R2941 HydrophobicContact CD1-CG 4.24Å; Y2906-R2941 HydrophobicContact CE1-CB 4.35Å; Y2906-R2941 HydrophobicContact CE1-CG 3.76Å; Y2906-W2944 HydrophobicContact CD1-CD2 4.37Å; Y2906-W2944 AromaticContact CD2-CD1 3.69Å; Y2906-W2944 HydrophobicContact CD2-CD2 4.1Å; Y2906-W2944 AromaticContact CD2-CE2 3.76Å; Y2906-W2944 HydrophobicContact CD2-CG 4.08Å; Y2906-W2944 HydrophobicContact CD2-CZ2 4.35Å; Y2906-W2944 AromaticContact CD2-NE1 3.47Å; Y2906-W2944 AromaticContact CE2-CD1 3.66Å; Y2906-W2944 HydrophobicContact CE2-CD2 4.46Å; Y2906-W2944 HydrophobicContact CE2-CG 4.03Å; Y2906-W2944 AromaticContact CE2-NE1 3.94Å; Y2906-W2944 HydrophobicContact CG-CD2 4.02Å; Y2906-W2944 AromaticContact CG-CE2 3.84Å; Y2906-W2944 HydrophobicContact CG-CE3 4.43Å; Y2906-W2944 HydrophobicContact CG-CG 4.38Å; Y2906-W2944 HydrophobicContact CG-CZ2 4.14Å
2907	E	82.7	Confident	87.8	Confident	100.5 Å²	100.5	34.8 Å²	34.8	47%	0.47	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	58.8	176.7	-65.9	-179.4	157.1	0	0	114.5	N2909 R2941	E2907-N2909 PolarHBondContact O-N 3.02Å; E2907-N2909 VanDerWaalsContact O-N 3.09Å; E2907-N2909 PolarHBondContact O-ND2 2.97Å; E2907-R2941 WeakPolarHBondContact OE2-CD 3.18Å
2908	F	82.3	Confident	89	Confident	167.5 Å²	167.5	32 Å²	32	74%	0.735	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	20.3	179.6	-55.2	-80.6	0	0	0	115.2	F2905 Y2906 P3005	F2905-F2908 HydrophobicContact CZ-CD1 4.44Å; Y2906-F2908 PolarHBondContact O-N 3.13Å; F2908-P3005 WeakPolarHBondContact O-CD 3.14Å; F2908-P3005 VanDerWaalsContact O-CG 3.25Å; F2908-P3005 WeakPolarHBondContact O-CG 3.47Å
2909	N	88	Confident	89.8	Confident	28.5 Å²	28.5	27.5 Å²	27.5	15%	0.152	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.8	177.7	-71.3	-74.9	0	0	0	110.8	F2905 Y2906 E2907 F2911 R2941 Q3002	F2905-N2909 WeakPolarHBondContact CA-O 3.32Å; Y2906-N2909 PolarHBondContact N-O 3.32Å; Y2906-N2909 WeakPolarHBondContact O-CA 3.04Å; Y2906-N2909 WeakPolarHBondContact O-CB 3.46Å; Y2906-N2909 PolarHBondContact O-N 2.99Å; Y2906-N2909 VanDerWaalsContact O-O 3.1Å; E2907-N2909 PolarHBondContact O-N 3.02Å; E2907-N2909 VanDerWaalsContact O-N 3.09Å; E2907-N2909 PolarHBondContact O-ND2 2.97Å; N2909-F2911 HydrophobicContact CB-CD2 4.45Å; N2909-F2911 HydrophobicContact CB-CE2 3.55Å; N2909-F2911 HydrophobicContact CB-CZ 3.65Å; N2909-R2941 PolarHBondContact ND2-NH1 3.08Å; N2909-Q3002 HydrophobicContact CB-CG 4.13Å; N2909-Q3002 VanDerWaalsContact CG-NE2 3.27Å; N2909-Q3002 PolarHBondContact OD1-NE2 3.29Å
2910	C	91.7	Very high	90.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.3	177.5	-55.4	0	0	0	0	109.3	C2899 W2903 Q3002 K3003	C2899-C2910 WeakPolarHBondContact CA-SG 3.4Å; C2899-C2910 HydrophobicContact CB-CB 3.75Å; C2899-C2910 WeakPolarHBondContact CB-SG 3.32Å; C2899-C2910 VanDerWaalsContact SG-CA 3.54Å; C2899-C2910 WeakPolarHBondContact SG-CB 3.31Å; C2899-C2910 CovalentContact SG-SG 2.03Å; C2899-C2910 PolarHBondContact SG-SG 3.32Å; W2903-C2910 HydrophobicContact CB-CB 4.41Å; W2903-C2910 HydrophobicContact CE3-CB 3.93Å; C2910-Q3002 CarbonylContact O-C 3.59Å; C2910-Q3002 WeakPolarHBondContact O-CA 3.47Å; C2910-K3003 HydrophobicContact CB-CB 4.46Å; C2910-K3003 WeakPolarHBondContact CB-O 3.43Å; C2910-K3003 PolarHBondContact N-O 3.14Å; C2910-K3003 PolarHBondContact O-N 2.94Å
2911	F	91.9	Very high	90.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.4	-179.1	-60.3	-88.1	0	0	0	112.2	W2903 D2904 N2909 A2936 R2941 W2944 L2945 C3001 Q3002	W2903-F2911 VanDerWaalsContact CE3-C 3.47Å; D2904-F2911 PolarHBondContact N-O 2.86Å; D2904-F2911 PolarHBondContact O-N 3.04Å; N2909-F2911 HydrophobicContact CB-CD2 4.45Å; N2909-F2911 HydrophobicContact CB-CE2 3.55Å; N2909-F2911 HydrophobicContact CB-CZ 3.65Å; F2911-A2936 HydrophobicContact CD1-CB 3.83Å; F2911-A2936 HydrophobicContact CE1-CB 3.9Å; F2911-R2941 VanDerWaalsContact CZ-CZ 3.49Å; F2911-W2944 HydrophobicContact CB-CH2 3.88Å; F2911-W2944 HydrophobicContact CB-CZ3 4.03Å; F2911-W2944 HydrophobicContact CD1-CZ3 4.37Å; F2911-W2944 AromaticContact CD2-CH2 3.56Å; F2911-W2944 HydrophobicContact CD2-CH2 3.56Å; F2911-W2944 AromaticContact CD2-CZ3 3.61Å; F2911-W2944 HydrophobicContact CD2-CZ3 3.61Å; F2911-W2944 HydrophobicContact CE2-CH2 4.39Å; F2911-W2944 HydrophobicContact CE2-CZ3 4.18Å; F2911-W2944 AromaticContact CG-CH2 3.88Å; F2911-W2944 HydrophobicContact CG-CH2 3.88Å; F2911-W2944 AromaticContact CG-CZ3 3.72Å; F2911-W2944 HydrophobicContact CG-CZ3 3.72Å; F2911-L2945 HydrophobicContact CD1-CD2 4.33Å; F2911-C3001 WeakPolarHBondContact CA-O 3.36Å; F2911-Q3002 HydrophobicContact CD1-CB 4.06Å; F2911-Q3002 HydrophobicContact CD1-CG 4.46Å; F2911-Q3002 HydrophobicContact CE1-CB 3.77Å; F2911-Q3002 HydrophobicContact CE1-CG 3.81Å; F2911-Q3002 HydrophobicContact CZ-CG 4.14Å
2912	Y	92.7	Very high	90.9	Very high	13.5 Å²	13.5	38.7 Å²	38.7	5%	0.053	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	142	171.4	-163.3	-89.9	0	0	0	110.3	R2675 Y2677 N2902 W2903 F2914 F3000 C3001	R2675-Y2912 PolarHBondContact O-OH 3.04Å; Y2677-Y2912 HydrophobicContact CD2-CE1 4.05Å; N2902-Y2912 HydrophobicContact CB-CE2 4.45Å; W2903-Y2912 AromaticContact CD1-CD2 3.9Å; W2903-Y2912 HydrophobicContact CD2-CD2 4.21Å; W2903-Y2912 HydrophobicContact CD2-CG 4.29Å; W2903-Y2912 AromaticContact CE2-CD2 3.96Å; W2903-Y2912 AromaticContact CE2-CG 3.97Å; W2903-Y2912 HydrophobicContact CG-CD2 4.13Å; W2903-Y2912 VanDerWaalsContact CH2-CB 3.46Å; W2903-Y2912 HydrophobicContact CH2-CG 4.42Å; W2903-Y2912 HydrophobicContact CZ2-CD2 4.48Å; W2903-Y2912 HydrophobicContact CZ2-CG 4.06Å; W2903-Y2912 VanDerWaalsContact CZ3-CB 3.5Å; W2903-Y2912 AromaticContact NE1-CD2 3.84Å; Y2912-F2914 HydrophobicContact CD1-CD1 4.15Å; Y2912-F2914 AromaticContact CD1-CD2 3.99Å; Y2912-F2914 HydrophobicContact CD1-CD2 4.01Å; Y2912-F2914 AromaticContact CD1-CE1 3.8Å; Y2912-F2914 HydrophobicContact CD1-CE1 3.8Å; Y2912-F2914 AromaticContact CD1-CE2 3.62Å; Y2912-F2914 HydrophobicContact CD1-CE2 3.62Å; Y2912-F2914 HydrophobicContact CD1-CG 4.26Å; Y2912-F2914 AromaticContact CD1-CZ 3.52Å; Y2912-F2914 HydrophobicContact CD1-CZ 3.52Å; Y2912-F2914 HydrophobicContact CE1-CD1 4.26Å; Y2912-F2914 HydrophobicContact CE1-CE1 4.03Å; Y2912-F2914 HydrophobicContact CE1-CZ 4.2Å; Y2912-F2914 HydrophobicContact CG-CE2 4.29Å; Y2912-F2914 HydrophobicContact CG-CZ 4.27Å; Y2912-F3000 WeakPolarHBondContact O-CA 3.25Å; Y2912-C3001 PolarHBondContact N-O 3.2Å; Y2912-C3001 VanDerWaalsContact N-O 3.16Å; Y2912-C3001 PolarHBondContact O-N 2.87Å
2913	Y	92.8	Very high	91.2	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.039	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.5	176.9	169.7	-101.7	0	0	0	110.2	L2949 W2952 Q2953 A2968 F2999 F3000	Y2913-L2949 HydrophobicContact CD2-CD1 3.81Å; Y2913-L2949 HydrophobicContact CE2-CD1 3.41Å; Y2913-L2949 VanDerWaalsContact CE2-CD1 3.43Å; Y2913-W2952 HydrophobicContact CD1-CB 4.45Å; Y2913-W2952 HydrophobicContact CG-CE3 4.29Å; Y2913-Q2953 HydrophobicContact CE1-CG 4.12Å; Y2913-Q2953 PolarHBondContact OH-NE2 2.84Å; Y2913-A2968 HydrophobicContact CD2-CB 4.41Å; Y2913-A2968 HydrophobicContact CE2-CB 4.02Å; Y2913-F2999 WeakPolarHBondContact CA-O 3.43Å; Y2913-F3000 HydrophobicContact CD2-CD2 4.24Å; Y2913-F3000 HydrophobicContact CD2-CE1 4.29Å; Y2913-F3000 AromaticContact CD2-CE2 3.96Å; Y2913-F3000 HydrophobicContact CD2-CE2 3.99Å; Y2913-F3000 HydrophobicContact CD2-CG 4.49Å; Y2913-F3000 AromaticContact CD2-CZ 3.97Å; Y2913-F3000 HydrophobicContact CD2-CZ 4.01Å; Y2913-F3000 HydrophobicContact CG-CE1 4.41Å; Y2913-F3000 HydrophobicContact CG-CZ 4.45Å
2914	F	94	Very high	91.5	Very high	0.5 Å²	0.5	38.9 Å²	38.9	0%	0.002	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.8	174.5	-64.2	-89.3	0	0	0	108.4	V2651 Y2677 W2903 Y2912 A2916 F2926 V2931 G2998 F2999 C3001	V2651-F2914 HydrophobicContact CG1-CD1 4.4Å; V2651-F2914 HydrophobicContact CG2-CB 4.31Å; V2651-F2914 HydrophobicContact CG2-CD1 3.89Å; Y2677-F2914 AromaticContact CD1-CE1 3.95Å; Y2677-F2914 HydrophobicContact CD1-CE1 3.95Å; Y2677-F2914 HydrophobicContact CD2-CD1 4.5Å; Y2677-F2914 AromaticContact CD2-CE1 3.5Å; Y2677-F2914 HydrophobicContact CD2-CE1 3.5Å; Y2677-F2914 VanDerWaalsContact CD2-CE1 3.49Å; Y2677-F2914 HydrophobicContact CD2-CZ 4.06Å; Y2677-F2914 HydrophobicContact CE1-CE1 4.14Å; Y2677-F2914 AromaticContact CE2-CE1 3.73Å; Y2677-F2914 HydrophobicContact CE2-CE1 3.73Å; Y2677-F2914 AromaticContact CE2-CZ 3.95Å; Y2677-F2914 HydrophobicContact CE2-CZ 3.95Å; Y2677-F2914 HydrophobicContact CG-CD1 4.33Å; Y2677-F2914 AromaticContact CG-CE1 3.63Å; Y2677-F2914 HydrophobicContact CG-CE1 3.63Å; W2903-F2914 HydrophobicContact CH2-CE2 4.36Å; W2903-F2914 HydrophobicContact CH2-CZ 4.34Å; W2903-F2914 HydrophobicContact CZ2-CZ 4.26Å; Y2912-F2914 HydrophobicContact CD1-CD1 4.15Å; Y2912-F2914 AromaticContact CD1-CD2 3.99Å; Y2912-F2914 HydrophobicContact CD1-CD2 4.01Å; Y2912-F2914 AromaticContact CD1-CE1 3.8Å; Y2912-F2914 HydrophobicContact CD1-CE1 3.8Å; Y2912-F2914 AromaticContact CD1-CE2 3.62Å; Y2912-F2914 HydrophobicContact CD1-CE2 3.62Å; Y2912-F2914 HydrophobicContact CD1-CG 4.26Å; Y2912-F2914 AromaticContact CD1-CZ 3.52Å; Y2912-F2914 HydrophobicContact CD1-CZ 3.52Å; Y2912-F2914 HydrophobicContact CE1-CD1 4.26Å; Y2912-F2914 HydrophobicContact CE1-CE1 4.03Å; Y2912-F2914 HydrophobicContact CE1-CZ 4.2Å; Y2912-F2914 HydrophobicContact CG-CE2 4.29Å; Y2912-F2914 HydrophobicContact CG-CZ 4.27Å; F2914-A2916 PolarHBondContact O-N 3.15Å; F2914-F2926 AromaticContact CD1-CE1 3.73Å; F2914-F2926 HydrophobicContact CD1-CE1 3.73Å; F2914-F2926 HydrophobicContact CD1-CZ 4.16Å; F2914-F2926 HydrophobicContact CD2-CE1 4.47Å; F2914-F2926 AromaticContact CE1-CE1 3.63Å; F2914-F2926 HydrophobicContact CE1-CE1 3.63Å; F2914-F2926 HydrophobicContact CE1-CZ 4.11Å; F2914-F2926 HydrophobicContact CE2-CE1 4.45Å; F2914-F2926 HydrophobicContact CG-CE1 4.18Å; F2914-F2926 HydrophobicContact CZ-CE1 4.03Å; F2914-V2931 HydrophobicContact CE1-CG2 4.41Å; F2914-V2931 HydrophobicContact CE2-CG2 4.19Å; F2914-V2931 HydrophobicContact CZ-CG2 3.65Å; F2914-G2998 CarbonylContact O-C 3.51Å; F2914-G2998 WeakPolarHBondContact O-CA 3.01Å; F2914-F2999 HydrophobicContact CB-CD1 4.21Å; F2914-F2999 HydrophobicContact CB-CD2 4.22Å; F2914-F2999 HydrophobicContact CB-CE1 3.82Å; F2914-F2999 HydrophobicContact CB-CE2 3.85Å; F2914-F2999 HydrophobicContact CB-CG 4.38Å; F2914-F2999 HydrophobicContact CB-CZ 3.63Å; F2914-F2999 HydrophobicContact CD2-CD2 4.2Å; F2914-F2999 AromaticContact CD2-CE2 3.82Å; F2914-F2999 HydrophobicContact CD2-CE2 3.82Å; F2914-F2999 HydrophobicContact CD2-CZ 4.37Å; F2914-F2999 HydrophobicContact CG-CD2 4.49Å; F2914-F2999 AromaticContact CG-CE2 3.9Å; F2914-F2999 HydrophobicContact CG-CE2 3.96Å; F2914-F2999 AromaticContact CG-CZ 3.96Å; F2914-F2999 HydrophobicContact CG-CZ 4.03Å; F2914-F2999 PolarHBondContact N-O 2.9Å; F2914-F2999 PolarHBondContact O-N 3.13Å; F2914-C3001 HydrophobicContact CD2-CB 4.39Å; F2914-C3001 HydrophobicContact CE2-CB 3.81Å; F2914-C3001 WeakPolarHBondContact CE2-SG 3.31Å
2915	G	89.8	Confident	91.9	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-5	174.4	0	0	0	0	0	114	N2619	N2619-G2915 CarbonylContact C-O 3.58Å; N2619-G2915 VanDerWaalsContact CA-O 3.25Å; N2619-G2915 WeakPolarHBondContact CA-O 3.41Å; N2619-G2915 VanDerWaalsContact CB-O 3.25Å; N2619-G2915 WeakPolarHBondContact CB-O 3.28Å
2916	A	92.8	Very high	92.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	128.8	-179.2	0	0	0	0	0	112.1	Y2621 V2651 F2914 M2918 I2997 F2999	Y2621-A2916 HydrophobicContact CD2-CB 4.11Å; Y2621-A2916 HydrophobicContact CG-CB 4.28Å; V2651-A2916 HydrophobicContact CB-CB 3.95Å; V2651-A2916 HydrophobicContact CG1-CB 4.46Å; V2651-A2916 HydrophobicContact CG2-CB 3.68Å; F2914-A2916 PolarHBondContact O-N 3.15Å; A2916-M2918 HydrophobicContact CB-CE 4.11Å; A2916-M2918 HydrophobicContact CB-CG 4.48Å; A2916-M2918 PolarHBondContact O-N 3.33Å; A2916-M2918 VanDerWaalsContact O-N 3.11Å; A2916-I2997 VanDerWaalsContact O-O 3.13Å; A2916-F2999 HydrophobicContact CB-CE1 4.33Å
2917	P	93.9	Very high	92.7	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.032	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	101.4	-178.4	30.7	-35.7	0	0	0	110.1	N2586 R2588 N2619 K2996	N2586-P2917 HydrophobicContact CB-CB 4.49Å; N2586-P2917 HydrophobicContact CB-CG 4.36Å; R2588-P2917 HydrophobicContact CG-CG 3.88Å; R2588-P2917 PolarHBondContact NH1-O 3Å; N2619-P2917 VanDerWaalsContact O-CD 3.24Å; N2619-P2917 WeakPolarHBondContact O-CD 3.35Å; P2917-K2996 HydrophobicContact CB-CB 4.03Å
2918	M	95.3	Very high	93.3	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.8	-179.1	-68.3	-171.5	-179.3	0	0	112.1	Y2621 A2916 E2922 A2923 F2926 W2969 K2996 I2997 F2999	Y2621-M2918 HydrophobicContact CD1-CE 4.03Å; Y2621-M2918 HydrophobicContact CD2-CE 3.49Å; Y2621-M2918 VanDerWaalsContact CD2-CE 3.46Å; Y2621-M2918 HydrophobicContact CE1-CE 3.85Å; Y2621-M2918 HydrophobicContact CE2-CE 3.3Å; Y2621-M2918 HydrophobicContact CG-CE 3.85Å; Y2621-M2918 VanDerWaalsContact CZ-CE 3.47Å; A2916-M2918 HydrophobicContact CB-CE 4.11Å; A2916-M2918 HydrophobicContact CB-CG 4.48Å; A2916-M2918 PolarHBondContact O-N 3.33Å; A2916-M2918 VanDerWaalsContact O-N 3.11Å; M2918-E2922 HydrophobicContact CB-CB 4Å; M2918-E2922 HydrophobicContact CG-CB 4.43Å; M2918-E2922 HydrophobicContact SD-CB 4.45Å; M2918-A2923 HydrophobicContact CB-CB 4.23Å; M2918-F2926 HydrophobicContact CE-CD2 3.66Å; M2918-F2926 HydrophobicContact CE-CE2 4.07Å; M2918-F2926 HydrophobicContact CE-CG 4.22Å; M2918-F2926 HydrophobicContact SD-CB 3.97Å; M2918-F2926 HydrophobicContact SD-CD2 4.13Å; M2918-F2926 HydrophobicContact SD-CG 4.11Å; M2918-W2969 PolarHBondContact O-NE1 3.34Å; M2918-K2996 WeakPolarHBondContact O-CA 3.43Å; M2918-I2997 PolarHBondContact N-O 3.19Å; M2918-I2997 PolarHBondContact O-N 2.97Å; M2918-I2997 VanDerWaalsContact O-N 3.08Å; M2918-F2999 HydrophobicContact CB-CD1 4.18Å; M2918-F2999 HydrophobicContact CB-CE1 3.87Å; M2918-F2999 HydrophobicContact CE-CE1 4.45Å; M2918-F2999 HydrophobicContact CE-CZ 4.45Å; M2918-F2999 HydrophobicContact CG-CE1 3.78Å; M2918-F2999 HydrophobicContact CG-CZ 4.48Å; M2918-F2999 HydrophobicContact SD-CE1 3.46Å; M2918-F2999 WeakPolarHBondContact SD-CE1 3.41Å; M2918-F2999 HydrophobicContact SD-CZ 3.57Å; M2918-F2999 VanDerWaalsContact SD-CZ 3.57Å
2919	T	95.8	Very high	93.7	Very high	21.5 Å²	21.5	29.4 Å²	29.4	13%	0.132	15%	0.152	C	C	.	.			trans	-69.7	163.1	168.3	65.9	0	0	0	0	110.1	Q2921 E2922 A2923 C2993 K2995 K2996	T2919-Q2921 VanDerWaalsContact C-N 3.29Å; T2919-Q2921 PolarHBondContact O-N 2.95Å; T2919-E2922 VanDerWaalsContact CG2-OE1 3.25Å; T2919-E2922 WeakPolarHBondContact CG2-OE1 3.35Å; T2919-E2922 PolarHBondContact N-OE2 2.86Å; T2919-E2922 PolarHBondContact O-N 2.82Å; T2919-E2922 WeakPolarHBondContact OG1-CB 3.38Å; T2919-E2922 WeakPolarHBondContact OG1-CG 3.41Å; T2919-E2922 PolarHBondContact OG1-N 3.19Å; T2919-E2922 PolarHBondContact OG1-OE1 2.7Å; T2919-A2923 WeakPolarHBondContact O-CB 3.39Å; T2919-A2923 PolarHBondContact O-N 3.15Å; T2919-C2993 WeakPolarHBondContact CB-O 3.45Å; T2919-K2995 WeakPolarHBondContact CA-O 3.46Å; T2919-K2996 HydrophobicContact CG2-CG 3.83Å
2920	Y	94.9	Very high	93.8	Very high	46.5 Å²	46.5	28.5 Å²	28.5	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-43.6	-179	-179.3	-92.6	0	0	0	112.3	A2923 N2924 L2935 W2969 D2971 C2980 C2993	Y2920-A2923 PolarHBondContact O-N 3.33Å; Y2920-N2924 PolarHBondContact O-N 3.3Å; Y2920-N2924 VanDerWaalsContact O-N 3.08Å; Y2920-L2935 HydrophobicContact CD2-CD2 4.02Å; Y2920-L2935 HydrophobicContact CE2-CD2 3.34Å; Y2920-W2969 HydrophobicContact CD2-CB 4.26Å; Y2920-W2969 AromaticContact CD2-CD2 3.94Å; Y2920-W2969 HydrophobicContact CD2-CD2 3.94Å; Y2920-W2969 AromaticContact CD2-CE3 3.62Å; Y2920-W2969 HydrophobicContact CD2-CE3 3.62Å; Y2920-W2969 HydrophobicContact CD2-CG 4.24Å; Y2920-W2969 HydrophobicContact CD2-CZ3 4.25Å; Y2920-W2969 HydrophobicContact CE2-CE3 4.49Å; Y2920-W2969 HydrophobicContact CG-CD2 4.48Å; Y2920-W2969 HydrophobicContact CG-CE3 4.38Å; Y2920-D2971 PolarHBondContact OH-OD1 3.21Å; Y2920-C2980 HydrophobicContact CD1-CB 4.35Å; Y2920-C2980 VanDerWaalsContact CD1-SG 3.6Å; Y2920-C2980 HydrophobicContact CD2-CB 3.66Å; Y2920-C2980 HydrophobicContact CE2-CB 4.23Å; Y2920-C2980 HydrophobicContact CG-CB 3.72Å; Y2920-C2980 VanDerWaalsContact CG-SG 3.51Å; Y2920-C2993 PolarHBondContact N-O 2.93Å
2921	Q	93.9	Very high	93.7	Very high	138.5 Å²	138.5	28.8 Å²	28.8	65%	0.647	15%	0.148	S	C	*	.	H	α-helix	trans	-66.4	-46.4	178.4	-175.2	178.1	-16.8	0	0	111.7	T2919 A2923 N2924 D2925	T2919-Q2921 VanDerWaalsContact C-N 3.29Å; T2919-Q2921 PolarHBondContact O-N 2.95Å; Q2921-A2923 VanDerWaalsContact C-N 3.3Å; Q2921-A2923 PolarHBondContact O-N 3.24Å; Q2921-N2924 PolarHBondContact O-N 3.32Å; Q2921-D2925 WeakPolarHBondContact O-CB 3.33Å; Q2921-D2925 VanDerWaalsContact O-CG 3.3Å; Q2921-D2925 PolarHBondContact O-N 2.99Å
2922	E	95.4	Very high	93.6	Very high	62 Å²	62	34.2 Å²	34.2	29%	0.29	18%	0.177	S	C	.	.	H	α-helix	trans	-59.3	-41	176.1	-74.2	166.8	-145.5	0	0	112.2	R2588 M2918 T2919 D2925 F2926	R2588-E2922 IonicContact CZ-OE2 3.82Å; R2588-E2922 VanDerWaalsContact CZ-OE2 3.28Å; R2588-E2922 IonicContact NH1-OE2 2.75Å; R2588-E2922 PolarHBondContact NH1-OE2 2.87Å; R2588-E2922 IonicContact NH2-OE2 3.37Å; R2588-E2922 PolarHBondContact NH2-OE2 3.03Å; M2918-E2922 HydrophobicContact CB-CB 4Å; M2918-E2922 HydrophobicContact CG-CB 4.43Å; M2918-E2922 HydrophobicContact SD-CB 4.45Å; T2919-E2922 VanDerWaalsContact CG2-OE1 3.25Å; T2919-E2922 WeakPolarHBondContact CG2-OE1 3.35Å; T2919-E2922 PolarHBondContact N-OE2 2.86Å; T2919-E2922 PolarHBondContact O-N 2.82Å; T2919-E2922 WeakPolarHBondContact OG1-CB 3.38Å; T2919-E2922 WeakPolarHBondContact OG1-CG 3.41Å; T2919-E2922 PolarHBondContact OG1-N 3.19Å; T2919-E2922 PolarHBondContact OG1-OE1 2.7Å; E2922-D2925 PolarHBondContact O-N 2.83Å; E2922-F2926 VanDerWaalsContact O-CB 3.24Å; E2922-F2926 WeakPolarHBondContact O-CB 3.37Å; E2922-F2926 PolarHBondContact O-N 3.34Å
2923	A	95.7	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-43.1	178.1	0	0	0	0	0	111.8	M2918 T2919 Y2920 Q2921 F2926 C2927 L2935 F2999	M2918-A2923 HydrophobicContact CB-CB 4.23Å; T2919-A2923 WeakPolarHBondContact O-CB 3.39Å; T2919-A2923 PolarHBondContact O-N 3.15Å; Y2920-A2923 PolarHBondContact O-N 3.33Å; Q2921-A2923 VanDerWaalsContact C-N 3.3Å; Q2921-A2923 PolarHBondContact O-N 3.24Å; A2923-F2926 PolarHBondContact O-N 2.81Å; A2923-C2927 PolarHBondContact O-N 3.14Å; A2923-C2927 PolarHBondContact O-SG 3.02Å; A2923-L2935 HydrophobicContact CB-CD1 4.28Å; A2923-F2999 HydrophobicContact CB-CB 3.93Å; A2923-F2999 HydrophobicContact CB-CD1 3.73Å; A2923-F2999 HydrophobicContact CB-CD2 3.78Å; A2923-F2999 HydrophobicContact CB-CE1 4.14Å; A2923-F2999 HydrophobicContact CB-CE2 4.16Å; A2923-F2999 HydrophobicContact CB-CG 3.55Å; A2923-F2999 HydrophobicContact CB-CZ 4.33Å
2924	N	95.7	Very high	93.6	Very high	49 Å²	49	37.1 Å²	37.1	26%	0.262	20%	0.196	S	C	.	.	H	α-helix	trans	-63.3	-47.3	175.3	-177.6	64.6	0	0	0	111.7	Y2920 Q2921 F2926 C2927 L2928	Y2920-N2924 PolarHBondContact O-N 3.3Å; Y2920-N2924 VanDerWaalsContact O-N 3.08Å; Q2921-N2924 PolarHBondContact O-N 3.32Å; N2924-F2926 VanDerWaalsContact C-N 3.29Å; N2924-F2926 PolarHBondContact O-N 3.14Å; N2924-C2927 PolarHBondContact O-N 3.23Å; N2924-L2928 WeakPolarHBondContact ND2-CD1 3.42Å; N2924-L2928 WeakPolarHBondContact O-CG 3.41Å; N2924-L2928 PolarHBondContact O-N 3Å; N2924-L2928 VanDerWaalsContact O-N 3.08Å
2925	D	95.5	Very high	93.6	Very high	74.5 Å²	74.5	37.2 Å²	37.2	40%	0.398	20%	0.196	S	C	.	.	H	α-helix	trans	-62.7	-37	177.5	-68.2	-16.1	0	0	0	111.4	Q2921 E2922 L2928 S2929	Q2921-D2925 WeakPolarHBondContact O-CB 3.33Å; Q2921-D2925 VanDerWaalsContact O-CG 3.3Å; Q2921-D2925 PolarHBondContact O-N 2.99Å; E2922-D2925 PolarHBondContact O-N 2.83Å; D2925-L2928 PolarHBondContact O-N 3.43Å; D2925-S2929 VanDerWaalsContact O-CB 3.25Å; D2925-S2929 WeakPolarHBondContact O-CB 3.47Å; D2925-S2929 PolarHBondContact O-N 3.02Å; D2925-S2929 PolarHBondContact O-OG 2.82Å; D2925-S2929 VanDerWaalsContact O-OG 3.11Å
2926	F	95.7	Very high	93.7	Very high	9 Å²	9	37.1 Å²	37.1	4%	0.039	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-46.5	174.4	-177.4	-83.5	0	0	0	111.9	Y2621 V2651 V2653 Y2677 F2914 M2918 E2922 A2923 N2924 L2928 S2929 E2930 V2931 F2999	Y2621-F2926 HydrophobicContact CE2-CE2 4.14Å; V2651-F2926 HydrophobicContact CG1-CE2 4.1Å; V2651-F2926 HydrophobicContact CG1-CZ 3.78Å; V2653-F2926 HydrophobicContact CG2-CE2 4.32Å; V2653-F2926 HydrophobicContact CG2-CZ 4.34Å; Y2677-F2926 HydrophobicContact CE1-CZ 4.41Å; F2914-F2926 AromaticContact CD1-CE1 3.73Å; F2914-F2926 HydrophobicContact CD1-CE1 3.73Å; F2914-F2926 HydrophobicContact CD1-CZ 4.16Å; F2914-F2926 HydrophobicContact CD2-CE1 4.47Å; F2914-F2926 AromaticContact CE1-CE1 3.63Å; F2914-F2926 HydrophobicContact CE1-CE1 3.63Å; F2914-F2926 HydrophobicContact CE1-CZ 4.11Å; F2914-F2926 HydrophobicContact CE2-CE1 4.45Å; F2914-F2926 HydrophobicContact CG-CE1 4.18Å; F2914-F2926 HydrophobicContact CZ-CE1 4.03Å; M2918-F2926 HydrophobicContact CE-CD2 3.66Å; M2918-F2926 HydrophobicContact CE-CE2 4.07Å; M2918-F2926 HydrophobicContact CE-CG 4.22Å; M2918-F2926 HydrophobicContact SD-CB 3.97Å; M2918-F2926 HydrophobicContact SD-CD2 4.13Å; M2918-F2926 HydrophobicContact SD-CG 4.11Å; E2922-F2926 VanDerWaalsContact O-CB 3.24Å; E2922-F2926 WeakPolarHBondContact O-CB 3.37Å; E2922-F2926 PolarHBondContact O-N 3.34Å; A2923-F2926 PolarHBondContact O-N 2.81Å; N2924-F2926 VanDerWaalsContact C-N 3.29Å; N2924-F2926 PolarHBondContact O-N 3.14Å; F2926-L2928 VanDerWaalsContact C-N 3.26Å; F2926-L2928 PolarHBondContact O-N 2.92Å; F2926-S2929 PolarHBondContact O-N 3.19Å; F2926-E2930 HydrophobicContact CD1-CB 4.31Å; F2926-E2930 HydrophobicContact CD1-CG 4.4Å; F2926-E2930 HydrophobicContact CD2-CB 4.09Å; F2926-E2930 HydrophobicContact CD2-CG 3.56Å; F2926-E2930 VanDerWaalsContact CD2-CG 3.41Å; F2926-E2930 HydrophobicContact CE1-CB 4.13Å; F2926-E2930 HydrophobicContact CE1-CG 4.38Å; F2926-E2930 HydrophobicContact CE2-CB 3.91Å; F2926-E2930 HydrophobicContact CE2-CG 3.55Å; F2926-E2930 HydrophobicContact CG-CB 4.3Å; F2926-E2930 HydrophobicContact CG-CG 4.13Å; F2926-E2930 HydrophobicContact CZ-CB 3.93Å; F2926-E2930 HydrophobicContact CZ-CG 4.1Å; F2926-E2930 WeakPolarHBondContact O-CB 3.32Å; F2926-E2930 PolarHBondContact O-N 3.08Å; F2926-V2931 HydrophobicContact CD1-CG2 4.32Å; F2926-V2931 HydrophobicContact CE1-CG2 3.94Å; F2926-F2999 HydrophobicContact CB-CE2 4.42Å; F2926-F2999 HydrophobicContact CB-CZ 4.2Å; F2926-F2999 AromaticContact CD1-CE2 3.66Å; F2926-F2999 HydrophobicContact CD1-CE2 3.66Å; F2926-F2999 AromaticContact CD1-CZ 3.58Å; F2926-F2999 HydrophobicContact CD1-CZ 3.58Å; F2926-F2999 HydrophobicContact CE1-CE2 4.32Å; F2926-F2999 HydrophobicContact CE1-CZ 4.13Å; F2926-F2999 HydrophobicContact CG-CE2 4.3Å; F2926-F2999 AromaticContact CG-CZ 3.93Å; F2926-F2999 HydrophobicContact CG-CZ 3.93Å
2927	C	95.9	Very high	93.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-39.6	176	-63.5	0	0	0	0	111.4	A2923 N2924 V2931 D2932 G2933 C3001	A2923-C2927 PolarHBondContact O-N 3.14Å; A2923-C2927 PolarHBondContact O-SG 3.02Å; N2924-C2927 PolarHBondContact O-N 3.23Å; C2927-V2931 WeakPolarHBondContact O-CB 3.24Å; C2927-D2932 PolarHBondContact O-N 3Å; C2927-G2933 CarbonylContact C-O 3.57Å; C2927-G2933 VanDerWaalsContact C-O 3.29Å; C2927-G2933 CarbonylContact O-C 3.58Å; C2927-G2933 WeakPolarHBondContact O-CA 2.97Å; C2927-G2933 PolarHBondContact O-N 3.13Å; C2927-G2933 VanDerWaalsContact O-O 3.06Å; C2927-C3001 WeakPolarHBondContact CA-SG 3.03Å; C2927-C3001 HydrophobicContact CB-CB 3.84Å; C2927-C3001 WeakPolarHBondContact CB-SG 3.37Å; C2927-C3001 VanDerWaalsContact SG-CA 3.54Å; C2927-C3001 WeakPolarHBondContact SG-CB 3.37Å; C2927-C3001 CovalentContact SG-SG 2.04Å; C2927-C3001 PolarHBondContact SG-SG 2.9Å
2928	L	95	Very high	93.2	Very high	90 Å²	90	38 Å²	38	47%	0.471	20%	0.201	S	C	.	.	H	α-helix	trans	-70.4	-40.7	178.2	-70.7	166.5	0	0	0	113.2	N2924 D2925 F2926 G2933 I2934	N2924-L2928 WeakPolarHBondContact ND2-CD1 3.42Å; N2924-L2928 WeakPolarHBondContact O-CG 3.41Å; N2924-L2928 PolarHBondContact O-N 3Å; N2924-L2928 VanDerWaalsContact O-N 3.08Å; D2925-L2928 PolarHBondContact O-N 3.43Å; F2926-L2928 VanDerWaalsContact C-N 3.26Å; F2926-L2928 PolarHBondContact O-N 2.92Å; L2928-G2933 WeakPolarHBondContact CA-O 3.48Å; L2928-G2933 WeakPolarHBondContact CD2-O 3.33Å; L2928-G2933 PolarHBondContact N-O 3.13Å; L2928-I2934 HydrophobicContact CD2-CG2 4.18Å
2929	S	91.4	Very high	92.5	Very high	63 Å²	63	43.3 Å²	43.3	44%	0.441	23%	0.225	S	C	.	.	H	α-helix	trans	-103.4	-22.4	-167.8	73.4	0	0	0	0	116.2	R2654 D2925 F2926	R2654-S2929 PolarHBondContact NH2-O 3.22Å; D2925-S2929 VanDerWaalsContact O-CB 3.25Å; D2925-S2929 WeakPolarHBondContact O-CB 3.47Å; D2925-S2929 PolarHBondContact O-N 3.02Å; D2925-S2929 PolarHBondContact O-OG 2.82Å; D2925-S2929 VanDerWaalsContact O-OG 3.11Å; F2926-S2929 PolarHBondContact O-N 3.19Å
2930	E	91.1	Very high	91.7	Very high	10 Å²	10	49.5 Å²	49.5	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-107.9	-25.1	179.5	-62.8	-61.6	153.9	0	0	112.7	V2653 R2654 Y2677 H2680 F2926	V2653-E2930 WeakPolarHBondContact CG1-OE2 3.5Å; R2654-E2930 WeakPolarHBondContact CD-OE1 3.48Å; R2654-E2930 IonicContact CZ-OE1 3.19Å; R2654-E2930 IonicContact CZ-OE2 3.07Å; R2654-E2930 IonicContact NE-OE1 2.99Å; R2654-E2930 PolarHBondContact NE-OE1 3.17Å; R2654-E2930 VanDerWaalsContact NE-OE1 3.17Å; R2654-E2930 IonicContact NE-OE2 3.3Å; R2654-E2930 PolarHBondContact NE-OE2 3.09Å; R2654-E2930 VanDerWaalsContact NE-OE2 3.14Å; R2654-E2930 IonicContact NH1-OE1 2.74Å; R2654-E2930 PolarHBondContact NH1-OE1 2.71Å; R2654-E2930 IonicContact NH1-OE2 3.14Å; R2654-E2930 PolarHBondContact NH1-OE2 2.89Å; R2654-E2930 IonicContact NH2-OE1 3.99Å; R2654-E2930 PolarHBondContact NH2-OE1 3.41Å; R2654-E2930 IonicContact NH2-OE2 3.52Å; R2654-E2930 PolarHBondContact NH2-OE2 2.92Å; Y2677-E2930 PolarHBondContact OH-O 2.8Å; H2680-E2930 PolarHBondContact CE1-O 3Å; H2680-E2930 IonicContact CE1-OE2 3.8Å; H2680-E2930 IonicContact ND1-OE2 2.9Å; H2680-E2930 PolarHBondContact ND1-OE2 2.81Å; F2926-E2930 HydrophobicContact CD1-CB 4.31Å; F2926-E2930 HydrophobicContact CD1-CG 4.4Å; F2926-E2930 HydrophobicContact CD2-CB 4.09Å; F2926-E2930 HydrophobicContact CD2-CG 3.56Å; F2926-E2930 VanDerWaalsContact CD2-CG 3.41Å; F2926-E2930 HydrophobicContact CE1-CB 4.13Å; F2926-E2930 HydrophobicContact CE1-CG 4.38Å; F2926-E2930 HydrophobicContact CE2-CB 3.91Å; F2926-E2930 HydrophobicContact CE2-CG 3.55Å; F2926-E2930 HydrophobicContact CG-CB 4.3Å; F2926-E2930 HydrophobicContact CG-CG 4.13Å; F2926-E2930 HydrophobicContact CZ-CB 3.93Å; F2926-E2930 HydrophobicContact CZ-CG 4.1Å; F2926-E2930 WeakPolarHBondContact O-CB 3.32Å; F2926-E2930 PolarHBondContact O-N 3.08Å
2931	V	89.3	Confident	91.3	Very high	5.5 Å²	5.5	47.8 Å²	47.8	3%	0.033	25%	0.251	C	S	.	.	S	Bend	trans	-110.1	-18.7	-172.1	169.2	0	0	0	0	112.2	W2903 F2914 F2926 C2927 G2933 C3001 K3003	W2903-V2931 HydrophobicContact CH2-CG1 3.39Å; W2903-V2931 VanDerWaalsContact CH2-CG1 3.44Å; W2903-V2931 HydrophobicContact CZ2-CG1 3.99Å; W2903-V2931 HydrophobicContact CZ3-CG1 4.3Å; F2914-V2931 HydrophobicContact CE1-CG2 4.41Å; F2914-V2931 HydrophobicContact CE2-CG2 4.19Å; F2914-V2931 HydrophobicContact CZ-CG2 3.65Å; F2926-V2931 HydrophobicContact CD1-CG2 4.32Å; F2926-V2931 HydrophobicContact CE1-CG2 3.94Å; C2927-V2931 WeakPolarHBondContact O-CB 3.24Å; V2931-G2933 VanDerWaalsContact C-N 3.33Å; V2931-C3001 HydrophobicContact CG1-CB 4.14Å; V2931-K3003 WeakPolarHBondContact O-CD 3.4Å; V2931-K3003 VanDerWaalsContact O-CE 3.28Å; V2931-K3003 WeakPolarHBondContact O-CE 3.47Å; V2931-K3003 PolarHBondContact O-NZ 3.26Å
2932	D	89.5	Confident	90.9	Very high	113 Å²	113	43.2 Å²	43.2	60%	0.604	23%	0.231	S	C	*	.	S	Bend	trans	52.8	48.7	-163.3	-44.9	-54.9	0	0	0	111.9	C2927 K3003	C2927-D2932 PolarHBondContact O-N 3Å; D2932-K3003 WeakPolarHBondContact O-CE 3.45Å; D2932-K3003 IonicContact OD2-NZ 2.74Å; D2932-K3003 PolarHBondContact OD2-NZ 2.75Å
2933	G	91.6	Very high	90.5	Very high	10.5 Å²	10.5	46.4 Å²	46.4	11%	0.108	25%	0.25	C	C	.	.	S	Bend	trans	-139.4	-164.4	179.7	0	0	0	0	0	111.9	C2927 L2928 V2931 Q3002	C2927-G2933 CarbonylContact C-O 3.57Å; C2927-G2933 VanDerWaalsContact C-O 3.29Å; C2927-G2933 CarbonylContact O-C 3.58Å; C2927-G2933 WeakPolarHBondContact O-CA 2.97Å; C2927-G2933 PolarHBondContact O-N 3.13Å; C2927-G2933 VanDerWaalsContact O-O 3.06Å; L2928-G2933 WeakPolarHBondContact CA-O 3.48Å; L2928-G2933 WeakPolarHBondContact CD2-O 3.33Å; L2928-G2933 PolarHBondContact N-O 3.13Å; V2931-G2933 VanDerWaalsContact C-N 3.33Å; G2933-Q3002 CarbonylContact C-O 3.55Å; G2933-Q3002 VanDerWaalsContact CA-O 3.28Å; G2933-Q3002 WeakPolarHBondContact CA-O 3.41Å
2934	I	93.5	Very high	90.3	Very high	75.5 Å²	75.5	48.4 Å²	48.4	39%	0.387	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	165.3	175.9	57.7	172.4	0	0	0	109.7	L2928 A2936 T2937 C3001 Q3002	L2928-I2934 HydrophobicContact CD2-CG2 4.18Å; I2934-A2936 PolarHBondContact O-N 3.12Å; I2934-T2937 HydrophobicContact CD1-CG2 4.39Å; I2934-C3001 CarbonylContact O-C 3.58Å; I2934-C3001 WeakPolarHBondContact O-CA 3.27Å; I2934-Q3002 HydrophobicContact CG1-CB 4.17Å; I2934-Q3002 HydrophobicContact CG1-CG 4.44Å; I2934-Q3002 PolarHBondContact N-O 3.37Å; I2934-Q3002 PolarHBondContact O-N 3.31Å
2935	L	93.4	Very high	89.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	139	168	-167.2	73	0	0	0	109.1	Y2920 A2923 T2937 W2969 D2971 F2999 F3000	Y2920-L2935 HydrophobicContact CD2-CD2 4.02Å; Y2920-L2935 HydrophobicContact CE2-CD2 3.34Å; A2923-L2935 HydrophobicContact CB-CD1 4.28Å; L2935-T2937 PolarHBondContact O-N 3.18Å; L2935-W2969 HydrophobicContact CD1-CB 4.3Å; L2935-W2969 HydrophobicContact CD2-CB 4.48Å; L2935-D2971 HydrophobicContact CB-CB 4.19Å; L2935-D2971 HydrophobicContact CD2-CB 4.11Å; L2935-D2971 HydrophobicContact CG-CB 4.3Å; L2935-F2999 HydrophobicContact CD1-CB 4.19Å; L2935-F2999 HydrophobicContact CD1-CD2 4.35Å; L2935-F3000 WeakPolarHBondContact CD1-O 3.33Å
2936	A	92	Very high	89.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-67.5	123.5	-171.4	0	0	0	0	0	112.1	F2911 I2934 V2970 D2971 F3000 Q3002	F2911-A2936 HydrophobicContact CD1-CB 3.83Å; F2911-A2936 HydrophobicContact CE1-CB 3.9Å; I2934-A2936 PolarHBondContact O-N 3.12Å; A2936-V2970 CarbonylContact O-C 3.56Å; A2936-D2971 PolarHBondContact O-N 3.27Å; A2936-F3000 HydrophobicContact CB-CB 3.5Å; A2936-F3000 VanDerWaalsContact CB-CB 3.44Å; A2936-F3000 WeakPolarHBondContact CB-O 3.41Å; A2936-F3000 PolarHBondContact N-O 3.13Å; A2936-Q3002 HydrophobicContact CB-CB 4.04Å
2937	T	91.1	Very high	89.1	Confident	23 Å²	23	47.3 Å²	47.3	14%	0.141	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-76.4	135.5	-178.5	59.1	0	0	0	0	111.3	I2934 L2935 R2941 D2971 Q3002	I2934-T2937 HydrophobicContact CD1-CG2 4.39Å; L2935-T2937 PolarHBondContact O-N 3.18Å; T2937-R2941 PolarHBondContact O-NE 2.96Å; T2937-R2941 PolarHBondContact O-NH2 2.9Å; T2937-R2941 PolarHBondContact OG1-NH2 2.74Å; T2937-D2971 CarbonylContact C-O 3.55Å; T2937-D2971 WeakPolarHBondContact CA-O 3.44Å; T2937-D2971 HydrophobicContact CG2-CB 4.17Å; T2937-Q3002 VanDerWaalsContact N-OE1 3.15Å; T2937-Q3002 PolarHBondContact OG1-OE1 3.13Å
2938	S	84.9	Confident	88.7	Confident	1.5 Å²	1.5	48.6 Å²	48.6	1%	0.01	25%	0.253	C	S	.	.			trans	-81.4	-42	-169.7	62.8	0	0	0	0	113.8	D2940 R2941 I2942 D2971 S2972 L2988	S2938-D2940 PolarHBondContact O-N 3.14Å; S2938-R2941 WeakPolarHBondContact O-CA 3.2Å; S2938-R2941 WeakPolarHBondContact O-CB 3.48Å; S2938-R2941 PolarHBondContact O-N 3.31Å; S2938-I2942 PolarHBondContact O-N 2.77Å; S2938-D2971 VanDerWaalsContact CB-O 3.32Å; S2938-D2971 WeakPolarHBondContact CB-O 3.26Å; S2938-D2971 PolarHBondContact N-O 3.08Å; S2938-D2971 PolarHBondContact OG-O 2.84Å; S2938-S2972 WeakPolarHBondContact OG-CA 3.33Å; S2938-S2972 VanDerWaalsContact OG-CB 3.31Å; S2938-S2972 WeakPolarHBondContact OG-CB 3.31Å; S2938-S2972 PolarHBondContact OG-OG 2.79Å; S2938-L2988 WeakPolarHBondContact OG-CD1 3.34Å
2939	Q	80.7	Confident	88.2	Confident	114.5 Å²	114.5	44.4 Å²	44.4	54%	0.535	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	18.6	-113	179.7	-67.3	-180	-19.1	0	0	113.9	R2941	Q2939-R2941 VanDerWaalsContact C-N 3.26Å; Q2939-R2941 PolarHBondContact O-N 2.79Å
2940	D	79.1	Confident	87.8	Confident	152 Å²	152	46.7 Å²	46.7	81%	0.813	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	8.7	-178.7	-60.3	-37.4	0	0	0	113.5	S2938	S2938-D2940 PolarHBondContact O-N 3.14Å
2941	R	86.6	Confident	87.3	Confident	11.5 Å²	11.5	50.1 Å²	50.1	4%	0.043	25%	0.245	C	C	.	.			trans	-107.9	9.5	-164.4	-54.1	-171.2	-69.7	-144.6	2.8	113.8	Y2906 E2907 N2909 F2911 T2937 S2938 Q2939 D2943 W2944 L2945	Y2906-R2941 HydrophobicContact CD1-CG 4.24Å; Y2906-R2941 HydrophobicContact CE1-CB 4.35Å; Y2906-R2941 HydrophobicContact CE1-CG 3.76Å; E2907-R2941 WeakPolarHBondContact OE2-CD 3.18Å; N2909-R2941 PolarHBondContact ND2-NH1 3.08Å; F2911-R2941 VanDerWaalsContact CZ-CZ 3.49Å; T2937-R2941 PolarHBondContact O-NE 2.96Å; T2937-R2941 PolarHBondContact O-NH2 2.9Å; T2937-R2941 PolarHBondContact OG1-NH2 2.74Å; S2938-R2941 WeakPolarHBondContact O-CA 3.2Å; S2938-R2941 WeakPolarHBondContact O-CB 3.48Å; S2938-R2941 PolarHBondContact O-N 3.31Å; Q2939-R2941 VanDerWaalsContact C-N 3.26Å; Q2939-R2941 PolarHBondContact O-N 2.79Å; R2941-D2943 PolarHBondContact O-N 2.96Å; R2941-W2944 PolarHBondContact O-N 2.99Å; R2941-W2944 VanDerWaalsContact O-N 3.16Å; R2941-L2945 HydrophobicContact CB-CD1 4.32Å; R2941-L2945 HydrophobicContact CB-CG 4.33Å; R2941-L2945 WeakPolarHBondContact O-CB 3.35Å; R2941-L2945 WeakPolarHBondContact O-CG 3.29Å; R2941-L2945 PolarHBondContact O-N 2.87Å
2942	I	86.5	Confident	86.9	Confident	42.5 Å²	42.5	50.5 Å²	50.5	22%	0.218	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-47.3	-172.6	-48.3	169.3	0	0	0	110.8	S2938 W2944 L2945 G2946 I2983 G2986 L2988	S2938-I2942 PolarHBondContact O-N 2.77Å; I2942-W2944 VanDerWaalsContact C-N 3.3Å; I2942-W2944 PolarHBondContact O-N 3.04Å; I2942-L2945 PolarHBondContact O-N 3.45Å; I2942-G2946 WeakPolarHBondContact O-CA 3.28Å; I2942-G2946 PolarHBondContact O-N 3.03Å; I2942-I2983 HydrophobicContact CG2-CD1 3.87Å; I2942-I2983 HydrophobicContact CG2-CG1 4.18Å; I2942-I2983 VanDerWaalsContact O-CD1 3.23Å; I2942-I2983 WeakPolarHBondContact O-CD1 3.41Å; I2942-G2986 VanDerWaalsContact CG2-C 3.48Å; I2942-G2986 WeakPolarHBondContact CG2-O 3.32Å; I2942-L2988 HydrophobicContact CD1-CD1 3.69Å; I2942-L2988 HydrophobicContact CD1-CG 3.9Å; I2942-L2988 HydrophobicContact CG1-CD1 4.28Å; I2942-L2988 HydrophobicContact CG1-CG 4.3Å; I2942-L2988 HydrophobicContact CG2-CG 4.3Å
2943	D	87.1	Confident	86.3	Confident	128.5 Å²	128.5	46.1 Å²	46.1	69%	0.687	22%	0.222	S	C	*	.	H	α-helix	trans	-61.9	-38.7	177.6	-80.6	-30.8	0	0	0	112.7	R2941 K2947	R2941-D2943 PolarHBondContact O-N 2.96Å; D2943-K2947 WeakPolarHBondContact O-CB 3.31Å; D2943-K2947 PolarHBondContact O-N 3.03Å
2944	W	90.1	Very high	84.9	Confident	42.5 Å²	42.5	50.4 Å²	50.4	16%	0.161	24%	0.239	C	C	.	.	H	α-helix	trans	-69.7	-49.8	179.5	-177.7	89.3	0	0	0	111.9	D2904 Y2906 F2911 R2941 I2942 G2946 K2947 K2948	D2904-W2944 HydrophobicContact CB-CH2 4.16Å; D2904-W2944 HydrophobicContact CB-CZ2 4.07Å; Y2906-W2944 HydrophobicContact CD1-CD2 4.37Å; Y2906-W2944 AromaticContact CD2-CD1 3.69Å; Y2906-W2944 HydrophobicContact CD2-CD2 4.1Å; Y2906-W2944 AromaticContact CD2-CE2 3.76Å; Y2906-W2944 HydrophobicContact CD2-CG 4.08Å; Y2906-W2944 HydrophobicContact CD2-CZ2 4.35Å; Y2906-W2944 AromaticContact CD2-NE1 3.47Å; Y2906-W2944 AromaticContact CE2-CD1 3.66Å; Y2906-W2944 HydrophobicContact CE2-CD2 4.46Å; Y2906-W2944 HydrophobicContact CE2-CG 4.03Å; Y2906-W2944 AromaticContact CE2-NE1 3.94Å; Y2906-W2944 HydrophobicContact CG-CD2 4.02Å; Y2906-W2944 AromaticContact CG-CE2 3.84Å; Y2906-W2944 HydrophobicContact CG-CE3 4.43Å; Y2906-W2944 HydrophobicContact CG-CG 4.38Å; Y2906-W2944 HydrophobicContact CG-CZ2 4.14Å; F2911-W2944 HydrophobicContact CB-CH2 3.88Å; F2911-W2944 HydrophobicContact CB-CZ3 4.03Å; F2911-W2944 HydrophobicContact CD1-CZ3 4.37Å; F2911-W2944 AromaticContact CD2-CH2 3.56Å; F2911-W2944 HydrophobicContact CD2-CH2 3.56Å; F2911-W2944 AromaticContact CD2-CZ3 3.61Å; F2911-W2944 HydrophobicContact CD2-CZ3 3.61Å; F2911-W2944 HydrophobicContact CE2-CH2 4.39Å; F2911-W2944 HydrophobicContact CE2-CZ3 4.18Å; F2911-W2944 AromaticContact CG-CH2 3.88Å; F2911-W2944 HydrophobicContact CG-CH2 3.88Å; F2911-W2944 AromaticContact CG-CZ3 3.72Å; F2911-W2944 HydrophobicContact CG-CZ3 3.72Å; R2941-W2944 PolarHBondContact O-N 2.99Å; R2941-W2944 VanDerWaalsContact O-N 3.16Å; I2942-W2944 VanDerWaalsContact C-N 3.3Å; I2942-W2944 PolarHBondContact O-N 3.04Å; W2944-G2946 VanDerWaalsContact C-N 3.27Å; W2944-G2946 PolarHBondContact O-N 2.55Å; W2944-K2947 WeakPolarHBondContact O-CB 3.34Å; W2944-K2947 PolarHBondContact O-N 3.17Å; W2944-K2947 VanDerWaalsContact O-N 3.15Å; W2944-K2948 HydrophobicContact CD2-CG 4.03Å; W2944-K2948 HydrophobicContact CE3-CG 4.2Å; W2944-K2948 HydrophobicContact CH2-CG 3.98Å; W2944-K2948 HydrophobicContact CZ2-CD 4.17Å; W2944-K2948 HydrophobicContact CZ2-CG 3.79Å; W2944-K2948 HydrophobicContact CZ3-CG 4.18Å; W2944-K2948 WeakPolarHBondContact O-CG 3.33Å; W2944-K2948 PolarHBondContact O-N 2.84Å
2945	L	89.1	Confident	83.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-41.2	174.5	-72.4	169.3	0	0	0	110.8	F2911 R2941 I2942 K2947 K2948 L2949 V2970 I2983 F3000	F2911-L2945 HydrophobicContact CD1-CD2 4.33Å; R2941-L2945 HydrophobicContact CB-CD1 4.32Å; R2941-L2945 HydrophobicContact CB-CG 4.33Å; R2941-L2945 WeakPolarHBondContact O-CB 3.35Å; R2941-L2945 WeakPolarHBondContact O-CG 3.29Å; R2941-L2945 PolarHBondContact O-N 2.87Å; I2942-L2945 PolarHBondContact O-N 3.45Å; L2945-K2947 VanDerWaalsContact C-N 3.33Å; L2945-K2947 PolarHBondContact O-N 3.19Å; L2945-K2948 PolarHBondContact O-N 2.81Å; L2945-L2949 WeakPolarHBondContact O-CB 3.27Å; L2945-L2949 PolarHBondContact O-N 2.91Å; L2945-V2970 HydrophobicContact CD1-CG1 4.22Å; L2945-I2983 HydrophobicContact CB-CD1 3.46Å; L2945-I2983 VanDerWaalsContact CB-CD1 3.46Å; L2945-F3000 HydrophobicContact CD2-CD1 4Å; L2945-F3000 HydrophobicContact CD2-CD2 4.4Å; L2945-F3000 HydrophobicContact CD2-CE1 4.19Å; L2945-F3000 HydrophobicContact CD2-CG 4.1Å; L2945-F3000 HydrophobicContact CD2-CZ 4.46Å
2946	G	86.6	Confident	81.2	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-36.5	177.2	0	0	0	0	0	112.5	I2942 W2944 R2950 I2983	I2942-G2946 WeakPolarHBondContact O-CA 3.28Å; I2942-G2946 PolarHBondContact O-N 3.03Å; W2944-G2946 VanDerWaalsContact C-N 3.27Å; W2944-G2946 PolarHBondContact O-N 2.55Å; G2946-R2950 VanDerWaalsContact C-NH1 3.26Å; G2946-R2950 WeakPolarHBondContact O-CG 3.2Å; G2946-R2950 PolarHBondContact O-N 3.17Å; G2946-R2950 PolarHBondContact O-NH1 3.04Å; G2946-I2983 VanDerWaalsContact N-CD1 3.27Å
2947	K	86.3	Confident	79.3	Confident	108 Å²	108	58.1 Å²	58.1	47%	0.47	28%	0.279	S	S	.	.	H	α-helix	trans	-67.9	-45.2	171.3	179.5	178.6	170.8	179.6	0	111.6	D2943 W2944 L2945 L2949 R2950 E2951	D2943-K2947 WeakPolarHBondContact O-CB 3.31Å; D2943-K2947 PolarHBondContact O-N 3.03Å; W2944-K2947 WeakPolarHBondContact O-CB 3.34Å; W2944-K2947 PolarHBondContact O-N 3.17Å; W2944-K2947 VanDerWaalsContact O-N 3.15Å; L2945-K2947 VanDerWaalsContact C-N 3.33Å; L2945-K2947 PolarHBondContact O-N 3.19Å; K2947-L2949 VanDerWaalsContact C-N 3.32Å; K2947-L2949 PolarHBondContact O-N 2.88Å; K2947-R2950 WeakPolarHBondContact O-CA 3.36Å; K2947-R2950 WeakPolarHBondContact O-CB 3.28Å; K2947-R2950 PolarHBondContact O-N 3.29Å; K2947-E2951 WeakPolarHBondContact CE-OE1 3.34Å; K2947-E2951 IonicContact NZ-OE1 3.13Å; K2947-E2951 WeakPolarHBondContact O-CG 3.31Å; K2947-E2951 PolarHBondContact O-N 3.09Å; K2947-E2951 VanDerWaalsContact O-N 3.11Å
2948	K	87.2	Confident	77.6	Confident	27.5 Å²	27.5	66.3 Å²	66.3	12%	0.12	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-37.7	178.7	-71	-66.2	173.3	-173.3	0	113.2	D2904 W2944 L2945 R2950 E2951 W2952 F3000	D2904-K2948 IonicContact OD1-NZ 2.86Å; D2904-K2948 VanDerWaalsContact OD2-CD 3.25Å; D2904-K2948 WeakPolarHBondContact OD2-CD 3.31Å; D2904-K2948 WeakPolarHBondContact OD2-CE 3.29Å; D2904-K2948 IonicContact OD2-NZ 3.51Å; D2904-K2948 PolarHBondContact OD2-NZ 2.99Å; W2944-K2948 HydrophobicContact CD2-CG 4.03Å; W2944-K2948 HydrophobicContact CE3-CG 4.2Å; W2944-K2948 HydrophobicContact CH2-CG 3.98Å; W2944-K2948 HydrophobicContact CZ2-CD 4.17Å; W2944-K2948 HydrophobicContact CZ2-CG 3.79Å; W2944-K2948 HydrophobicContact CZ3-CG 4.18Å; W2944-K2948 WeakPolarHBondContact O-CG 3.33Å; W2944-K2948 PolarHBondContact O-N 2.84Å; L2945-K2948 PolarHBondContact O-N 2.81Å; K2948-R2950 VanDerWaalsContact C-N 3.3Å; K2948-R2950 PolarHBondContact O-N 3.18Å; K2948-E2951 WeakPolarHBondContact CD-OE2 3.3Å; K2948-E2951 WeakPolarHBondContact CE-OE2 3.05Å; K2948-E2951 IonicContact NZ-OE2 3.95Å; K2948-E2951 PolarHBondContact NZ-OE2 2.83Å; K2948-E2951 PolarHBondContact O-N 2.76Å; K2948-W2952 HydrophobicContact CB-CE3 4.33Å; K2948-W2952 HydrophobicContact CD-CZ2 4.46Å; K2948-W2952 WeakPolarHBondContact O-CB 3.31Å; K2948-W2952 PolarHBondContact O-N 3Å; K2948-F3000 HydrophobicContact CB-CE1 4.28Å; K2948-F3000 HydrophobicContact CB-CZ 4.43Å
2949	L	86.2	Confident	76	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-39	173.1	-170.8	62.7	0	0	0	111.9	Y2913 L2945 K2947 Q2953 Y2956 A2968 I2983 F3000	Y2913-L2949 HydrophobicContact CD2-CD1 3.81Å; Y2913-L2949 HydrophobicContact CE2-CD1 3.41Å; Y2913-L2949 VanDerWaalsContact CE2-CD1 3.43Å; L2945-L2949 WeakPolarHBondContact O-CB 3.27Å; L2945-L2949 PolarHBondContact O-N 2.91Å; K2947-L2949 VanDerWaalsContact C-N 3.32Å; K2947-L2949 PolarHBondContact O-N 2.88Å; L2949-Q2953 HydrophobicContact CD1-CG 4.32Å; L2949-Q2953 WeakPolarHBondContact O-CB 3.46Å; L2949-Q2953 WeakPolarHBondContact O-CG 3.42Å; L2949-Q2953 PolarHBondContact O-N 3.02Å; L2949-Y2956 HydrophobicContact CB-CE2 4.42Å; L2949-Y2956 HydrophobicContact CD2-CE2 4.14Å; L2949-Y2956 HydrophobicContact CG-CE2 3.95Å; L2949-A2968 HydrophobicContact CD1-CB 3.96Å; L2949-A2968 HydrophobicContact CD2-CB 4.26Å; L2949-I2983 HydrophobicContact CD2-CG2 4.26Å; L2949-F3000 HydrophobicContact CB-CE2 4.25Å; L2949-F3000 HydrophobicContact CB-CZ 4.02Å; L2949-F3000 HydrophobicContact CD1-CE2 4.07Å; L2949-F3000 HydrophobicContact CD1-CZ 4.22Å
2950	R	81.7	Confident	74.6	Confident	112 Å²	112	64.8 Å²	64.8	42%	0.423	30%	0.302	S	S	.	.	H	α-helix	trans	-69.7	-43	175.7	-53.5	-166.7	-75.4	-87.9	6.7	112.5	G2946 K2947 K2948 W2952 Y2956	G2946-R2950 VanDerWaalsContact C-NH1 3.26Å; G2946-R2950 WeakPolarHBondContact O-CG 3.2Å; G2946-R2950 PolarHBondContact O-N 3.17Å; G2946-R2950 PolarHBondContact O-NH1 3.04Å; K2947-R2950 WeakPolarHBondContact O-CA 3.36Å; K2947-R2950 WeakPolarHBondContact O-CB 3.28Å; K2947-R2950 PolarHBondContact O-N 3.29Å; K2948-R2950 VanDerWaalsContact C-N 3.3Å; K2948-R2950 PolarHBondContact O-N 3.18Å; R2950-W2952 VanDerWaalsContact C-N 3.28Å; R2950-W2952 PolarHBondContact O-N 2.8Å; R2950-Y2956 HydrophobicContact CB-CD1 3.79Å; R2950-Y2956 HydrophobicContact CB-CD2 4.29Å; R2950-Y2956 HydrophobicContact CB-CE1 4.09Å; R2950-Y2956 HydrophobicContact CB-CG 3.92Å; R2950-Y2956 VanDerWaalsContact CD-CE1 3.41Å; R2950-Y2956 HydrophobicContact CG-CD1 3.67Å; R2950-Y2956 HydrophobicContact CG-CD2 4.33Å; R2950-Y2956 HydrophobicContact CG-CE1 3.42Å; R2950-Y2956 VanDerWaalsContact CG-CE1 3.42Å; R2950-Y2956 HydrophobicContact CG-CE2 4.08Å; R2950-Y2956 HydrophobicContact CG-CG 4.13Å
2951	E	81.8	Confident	73.4	Confident	81.5 Å²	81.5	66.6 Å²	66.6	38%	0.381	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-34.5	-179.9	-71.7	177.9	-176.8	0	0	112.9	K2947 K2948	K2947-E2951 WeakPolarHBondContact CE-OE1 3.34Å; K2947-E2951 IonicContact NZ-OE1 3.13Å; K2947-E2951 WeakPolarHBondContact O-CG 3.31Å; K2947-E2951 PolarHBondContact O-N 3.09Å; K2947-E2951 VanDerWaalsContact O-N 3.11Å; K2948-E2951 WeakPolarHBondContact CD-OE2 3.3Å; K2948-E2951 WeakPolarHBondContact CE-OE2 3.05Å; K2948-E2951 IonicContact NZ-OE2 3.95Å; K2948-E2951 PolarHBondContact NZ-OE2 2.83Å; K2948-E2951 PolarHBondContact O-N 2.76Å
2952	W	80	Confident	71.7	Confident	13.5 Å²	13.5	74.4 Å²	74.4	5%	0.051	33%	0.329	C	S	.	.	H	α-helix	trans	-95.1	-16.2	-171.3	-69.3	-8	0	0	0	114.5	N2649 R2675 D2904 Y2913 K2948 R2950 F3000	N2649-W2952 PolarHBondContact ND2-O 3.06Å; N2649-W2952 PolarHBondContact OD1-O 3.36Å; R2675-W2952 VanDerWaalsContact NH1-CD1 3.28Å; D2904-W2952 HydrophobicContact CB-CH2 4.11Å; D2904-W2952 HydrophobicContact CB-CZ2 3.88Å; D2904-W2952 WeakPolarHBondContact OD2-CZ2 3.21Å; Y2913-W2952 HydrophobicContact CD1-CB 4.45Å; Y2913-W2952 HydrophobicContact CG-CE3 4.29Å; K2948-W2952 HydrophobicContact CB-CE3 4.33Å; K2948-W2952 HydrophobicContact CD-CZ2 4.46Å; K2948-W2952 WeakPolarHBondContact O-CB 3.31Å; K2948-W2952 PolarHBondContact O-N 3Å; R2950-W2952 VanDerWaalsContact C-N 3.28Å; R2950-W2952 PolarHBondContact O-N 2.8Å; W2952-F3000 AromaticContact CE3-CE1 3.86Å; W2952-F3000 HydrophobicContact CE3-CE1 3.86Å; W2952-F3000 HydrophobicContact CZ3-CD1 4.14Å; W2952-F3000 AromaticContact CZ3-CE1 3.68Å; W2952-F3000 HydrophobicContact CZ3-CE1 3.68Å
2953	Q	76.6	Confident	70.1	Confident	20.5 Å²	20.5	76.8 Å²	76.8	10%	0.096	35%	0.345	C	S	.	.	S	Bend	trans	-88.6	59.4	171.6	-69.2	-176.4	-11.9	0	0	112.6	Y2913 L2949 N2955 Y2956 T2966	Y2913-Q2953 HydrophobicContact CE1-CG 4.12Å; Y2913-Q2953 PolarHBondContact OH-NE2 2.84Å; L2949-Q2953 HydrophobicContact CD1-CG 4.32Å; L2949-Q2953 WeakPolarHBondContact O-CB 3.46Å; L2949-Q2953 WeakPolarHBondContact O-CG 3.42Å; L2949-Q2953 PolarHBondContact O-N 3.02Å; Q2953-N2955 PolarHBondContact O-N 3.07Å; Q2953-Y2956 HydrophobicContact CB-CD2 4.12Å; Q2953-Y2956 VanDerWaalsContact OE1-CD2 3.3Å; Q2953-T2966 VanDerWaalsContact OE1-CB 3.26Å
2954	H	61.8	Low	68.4	Low	101.5 Å²	101.5	78 Å²	78	47%	0.47	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-18.7	65.4	173.7	-156.4	23.5	0	0	0	116.7	Y2956	H2954-Y2956 PolarHBondContact O-N 2.72Å
2955	N	55.7	Low	67.1	Low	86 Å²	86	79.3 Å²	79.3	46%	0.46	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-29.4	19.9	-175.7	-78.2	-20.2	0	0	0	116	N2646 Q2953 D2957 W2958 I2959	N2646-N2955 PolarHBondContact ND2-ND2 3.1Å; N2646-N2955 VanDerWaalsContact ND2-ND2 3.11Å; Q2953-N2955 PolarHBondContact O-N 3.07Å; N2955-D2957 VanDerWaalsContact C-N 3.28Å; N2955-D2957 PolarHBondContact O-N 3.06Å; N2955-W2958 HydrophobicContact CB-CB 4.4Å; N2955-W2958 PolarHBondContact O-N 3.05Å; N2955-W2958 VanDerWaalsContact O-N 3.11Å; N2955-I2959 WeakPolarHBondContact O-CG1 3.31Å; N2955-I2959 PolarHBondContact O-N 3.46Å
2956	Y	54.4	Low	66.4	Low	32.5 Å²	32.5	80.2 Å²	80.2	13%	0.127	36%	0.358	C	S	.	.	H	α-helix	trans	-79.9	-19.4	-178.9	-122.4	-79.7	0	0	0	114.4	Q2618 L2949 R2950 Q2953 H2954 W2958 I2959 N2960 W2964 T2966 N2985	Q2618-Y2956 PolarHBondContact NE2-OH 3.31Å; L2949-Y2956 HydrophobicContact CB-CE2 4.42Å; L2949-Y2956 HydrophobicContact CD2-CE2 4.14Å; L2949-Y2956 HydrophobicContact CG-CE2 3.95Å; R2950-Y2956 HydrophobicContact CB-CD1 3.79Å; R2950-Y2956 HydrophobicContact CB-CD2 4.29Å; R2950-Y2956 HydrophobicContact CB-CE1 4.09Å; R2950-Y2956 HydrophobicContact CB-CG 3.92Å; R2950-Y2956 VanDerWaalsContact CD-CE1 3.41Å; R2950-Y2956 HydrophobicContact CG-CD1 3.67Å; R2950-Y2956 HydrophobicContact CG-CD2 4.33Å; R2950-Y2956 HydrophobicContact CG-CE1 3.42Å; R2950-Y2956 VanDerWaalsContact CG-CE1 3.42Å; R2950-Y2956 HydrophobicContact CG-CE2 4.08Å; R2950-Y2956 HydrophobicContact CG-CG 4.13Å; Q2953-Y2956 HydrophobicContact CB-CD2 4.12Å; Q2953-Y2956 VanDerWaalsContact OE1-CD2 3.3Å; H2954-Y2956 PolarHBondContact O-N 2.72Å; Y2956-W2958 VanDerWaalsContact C-N 3.34Å; Y2956-W2958 PolarHBondContact O-N 2.85Å; Y2956-I2959 PolarHBondContact O-N 2.9Å; Y2956-N2960 VanDerWaalsContact CB-ND2 3.26Å; Y2956-N2960 WeakPolarHBondContact CB-ND2 2.97Å; Y2956-N2960 VanDerWaalsContact CB-OD1 3.25Å; Y2956-N2960 WeakPolarHBondContact CB-OD1 3.44Å; Y2956-N2960 HydrophobicContact CE1-CB 4.25Å; Y2956-N2960 VanDerWaalsContact CE1-ND2 3.29Å; Y2956-N2960 WeakPolarHBondContact CE1-ND2 3.48Å; Y2956-N2960 WeakPolarHBondContact O-CB 3.17Å; Y2956-N2960 PolarHBondContact O-N 2.9Å; Y2956-N2960 PolarHBondContact O-ND2 3.32Å; Y2956-N2960 PolarHBondContact OH-ND2 3.2Å; Y2956-N2960 VanDerWaalsContact OH-ND2 3.12Å; Y2956-W2964 AromaticContact CD1-CE3 3.6Å; Y2956-W2964 HydrophobicContact CD1-CE3 3.6Å; Y2956-W2964 AromaticContact CD1-CZ3 3.75Å; Y2956-W2964 HydrophobicContact CD1-CZ3 3.75Å; Y2956-W2964 HydrophobicContact CE1-CD2 4.32Å; Y2956-W2964 AromaticContact CE1-CE3 3.39Å; Y2956-W2964 HydrophobicContact CE1-CE3 3.39Å; Y2956-W2964 HydrophobicContact CE1-CH2 4.35Å; Y2956-W2964 AromaticContact CE1-CZ3 3.4Å; Y2956-W2964 HydrophobicContact CE1-CZ3 3.4Å; Y2956-W2964 VanDerWaalsContact CE1-CZ3 3.4Å; Y2956-T2966 HydrophobicContact CD2-CG2 4.4Å; Y2956-T2966 HydrophobicContact CE2-CG2 4.47Å; Y2956-T2966 WeakPolarHBondContact CE2-OG1 3.48Å; Y2956-N2985 PolarHBondContact OH-OD1 2.84Å
2957	D	52.5	Low	66.4	Low	120 Å²	120	82.3 Å²	82.3	64%	0.642	37%	0.366	S	S	*	.	H	α-helix	trans	-59.3	-31.4	-175.4	-73.6	-13.5	0	0	0	114	N2955 R2961	N2955-D2957 VanDerWaalsContact C-N 3.28Å; N2955-D2957 PolarHBondContact O-N 3.06Å; D2957-R2961 WeakPolarHBondContact O-CB 3.49Å; D2957-R2961 PolarHBondContact O-N 2.97Å; D2957-R2961 VanDerWaalsContact O-N 3.1Å
2958	W	55.1	Low	66.7	Low	194 Å²	194	77.1 Å²	77.1	74%	0.735	34%	0.343	S	S	*	.	H	α-helix	trans	-80.1	-40.8	176.5	123.5	-81.5	0	0	0	112.7	N2955 Y2956 N2960 R2961 Y2962	N2955-W2958 HydrophobicContact CB-CB 4.4Å; N2955-W2958 PolarHBondContact O-N 3.05Å; N2955-W2958 VanDerWaalsContact O-N 3.11Å; Y2956-W2958 VanDerWaalsContact C-N 3.34Å; Y2956-W2958 PolarHBondContact O-N 2.85Å; W2958-N2960 VanDerWaalsContact C-N 3.33Å; W2958-N2960 PolarHBondContact O-N 3.48Å; W2958-R2961 PolarHBondContact O-N 2.91Å; W2958-R2961 VanDerWaalsContact O-N 3.15Å; W2958-Y2962 HydrophobicContact CD2-CD2 4.33Å; W2958-Y2962 HydrophobicContact CD2-CE2 4.26Å; W2958-Y2962 HydrophobicContact CE3-CE2 4.34Å; W2958-Y2962 HydrophobicContact CG-CD2 4.47Å; W2958-Y2962 VanDerWaalsContact O-CD2 3.29Å; W2958-Y2962 WeakPolarHBondContact O-CD2 3.36Å; W2958-Y2962 PolarHBondContact O-N 2.67Å
2959	I	51.7	Low	67.1	Low	43.5 Å²	43.5	75.8 Å²	75.8	22%	0.223	34%	0.338	C	S	.	.	H	α-helix	trans	-77.7	-33.8	-178	-64.2	170.3	0	0	0	111.1	N2955 Y2956 R2961 Y2962 T2963 W2964 T2966	N2955-I2959 WeakPolarHBondContact O-CG1 3.31Å; N2955-I2959 PolarHBondContact O-N 3.46Å; Y2956-I2959 PolarHBondContact O-N 2.9Å; I2959-R2961 PolarHBondContact O-N 2.88Å; I2959-Y2962 PolarHBondContact O-N 2.79Å; I2959-Y2962 VanDerWaalsContact O-N 3.15Å; I2959-T2963 WeakPolarHBondContact CG2-OG1 3.48Å; I2959-T2963 PolarHBondContact O-N 3.19Å; I2959-T2963 PolarHBondContact O-OG1 2.7Å; I2959-W2964 HydrophobicContact CB-CE3 4.11Å; I2959-W2964 HydrophobicContact CB-CZ3 3.87Å; I2959-W2964 HydrophobicContact CD1-CE3 4.45Å; I2959-W2964 HydrophobicContact CD1-CH2 3.79Å; I2959-W2964 HydrophobicContact CD1-CZ3 3.4Å; I2959-W2964 HydrophobicContact CG1-CZ3 4.2Å; I2959-W2964 HydrophobicContact CG2-CD2 4.36Å; I2959-W2964 HydrophobicContact CG2-CE3 3.48Å; I2959-W2964 VanDerWaalsContact CG2-CE3 3.48Å; I2959-W2964 HydrophobicContact CG2-CH2 4.32Å; I2959-W2964 HydrophobicContact CG2-CZ3 3.47Å; I2959-W2964 VanDerWaalsContact CG2-CZ3 3.47Å; I2959-T2966 HydrophobicContact CG2-CG2 3.84Å
2960	N	51.3	Low	67.4	Low	40.5 Å²	40.5	75.8 Å²	75.8	22%	0.217	34%	0.338	C	S	.	.	H	α-helix	trans	-67.2	-15.7	-178.5	-87.5	-9.2	0	0	0	115	Y2956 W2958 Y2962 W2964 V2965 T2966 N2985	Y2956-N2960 VanDerWaalsContact CB-ND2 3.26Å; Y2956-N2960 WeakPolarHBondContact CB-ND2 2.97Å; Y2956-N2960 VanDerWaalsContact CB-OD1 3.25Å; Y2956-N2960 WeakPolarHBondContact CB-OD1 3.44Å; Y2956-N2960 HydrophobicContact CE1-CB 4.25Å; Y2956-N2960 VanDerWaalsContact CE1-ND2 3.29Å; Y2956-N2960 WeakPolarHBondContact CE1-ND2 3.48Å; Y2956-N2960 WeakPolarHBondContact O-CB 3.17Å; Y2956-N2960 PolarHBondContact O-N 2.9Å; Y2956-N2960 PolarHBondContact O-ND2 3.32Å; Y2956-N2960 PolarHBondContact OH-ND2 3.2Å; Y2956-N2960 VanDerWaalsContact OH-ND2 3.12Å; W2958-N2960 VanDerWaalsContact C-N 3.33Å; W2958-N2960 PolarHBondContact O-N 3.48Å; N2960-Y2962 VanDerWaalsContact C-N 3.32Å; N2960-Y2962 PolarHBondContact O-N 2.81Å; N2960-W2964 PolarHBondContact O-NE1 3.2Å; N2960-W2964 WeakPolarHBondContact OD1-CA 3.43Å; N2960-V2965 PolarHBondContact OD1-N 3.35Å; N2960-T2966 VanDerWaalsContact CG-OG1 3.3Å; N2960-T2966 PolarHBondContact ND2-OG1 2.83Å; N2960-T2966 PolarHBondContact OD1-N 3.35Å; N2960-T2966 PolarHBondContact OD1-OG1 2.85Å; N2960-T2966 VanDerWaalsContact OD1-OG1 3.12Å; N2960-N2985 PolarHBondContact ND2-OD1 3.12Å
2961	R	52.9	Low	67.9	Low	190 Å²	190	73.2 Å²	73.2	72%	0.717	33%	0.332	S	S	*	.	H	α-helix	trans	-68.9	-28.6	173.5	-122.3	-177.1	-111.3	173.7	4.4	113.3	D2957 W2958 I2959	D2957-R2961 WeakPolarHBondContact O-CB 3.49Å; D2957-R2961 PolarHBondContact O-N 2.97Å; D2957-R2961 VanDerWaalsContact O-N 3.1Å; W2958-R2961 PolarHBondContact O-N 2.91Å; W2958-R2961 VanDerWaalsContact O-N 3.15Å; I2959-R2961 PolarHBondContact O-N 2.88Å
2962	Y	51.6	Low	68.1	Low	176 Å²	176	70.5 Å²	70.5	69%	0.69	32%	0.323	S	S	*	.	H	α-helix	trans	-127.8	-18	-169.4	-64.8	-67.7	0	0	0	118.2	W2958 I2959 N2960	W2958-Y2962 HydrophobicContact CD2-CD2 4.33Å; W2958-Y2962 HydrophobicContact CD2-CE2 4.26Å; W2958-Y2962 HydrophobicContact CE3-CE2 4.34Å; W2958-Y2962 HydrophobicContact CG-CD2 4.47Å; W2958-Y2962 VanDerWaalsContact O-CD2 3.29Å; W2958-Y2962 WeakPolarHBondContact O-CD2 3.36Å; W2958-Y2962 PolarHBondContact O-N 2.67Å; I2959-Y2962 PolarHBondContact O-N 2.79Å; I2959-Y2962 VanDerWaalsContact O-N 3.15Å; N2960-Y2962 VanDerWaalsContact C-N 3.32Å; N2960-Y2962 PolarHBondContact O-N 2.81Å
2963	T	52.7	Low	68.2	Low	92.5 Å²	92.5	76.1 Å²	76.1	57%	0.567	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.7	-13.2	-170.3	58.7	0	0	0	0	118	I2959 V2965	I2959-T2963 WeakPolarHBondContact CG2-OG1 3.48Å; I2959-T2963 PolarHBondContact O-N 3.19Å; I2959-T2963 PolarHBondContact O-OG1 2.7Å; T2963-V2965 VanDerWaalsContact O-CG2 3.24Å; T2963-V2965 WeakPolarHBondContact O-CG2 3.25Å; T2963-V2965 PolarHBondContact O-N 3.46Å; T2963-V2965 VanDerWaalsContact O-N 3.12Å; T2963-V2965 WeakPolarHBondContact OG1-CG2 3.17Å
2964	W	51.1	Low	68.3	Low	154 Å²	154	77 Å²	77	58%	0.583	36%	0.364	S	S	*	.			trans	-33	86.1	176.8	-63.7	-50	0	0	0	115.3	Y2956 I2959 N2960 R2984	Y2956-W2964 AromaticContact CD1-CE3 3.6Å; Y2956-W2964 HydrophobicContact CD1-CE3 3.6Å; Y2956-W2964 AromaticContact CD1-CZ3 3.75Å; Y2956-W2964 HydrophobicContact CD1-CZ3 3.75Å; Y2956-W2964 HydrophobicContact CE1-CD2 4.32Å; Y2956-W2964 AromaticContact CE1-CE3 3.39Å; Y2956-W2964 HydrophobicContact CE1-CE3 3.39Å; Y2956-W2964 HydrophobicContact CE1-CH2 4.35Å; Y2956-W2964 AromaticContact CE1-CZ3 3.4Å; Y2956-W2964 HydrophobicContact CE1-CZ3 3.4Å; Y2956-W2964 VanDerWaalsContact CE1-CZ3 3.4Å; I2959-W2964 HydrophobicContact CB-CE3 4.11Å; I2959-W2964 HydrophobicContact CB-CZ3 3.87Å; I2959-W2964 HydrophobicContact CD1-CE3 4.45Å; I2959-W2964 HydrophobicContact CD1-CH2 3.79Å; I2959-W2964 HydrophobicContact CD1-CZ3 3.4Å; I2959-W2964 HydrophobicContact CG1-CZ3 4.2Å; I2959-W2964 HydrophobicContact CG2-CD2 4.36Å; I2959-W2964 HydrophobicContact CG2-CE3 3.48Å; I2959-W2964 VanDerWaalsContact CG2-CE3 3.48Å; I2959-W2964 HydrophobicContact CG2-CH2 4.32Å; I2959-W2964 HydrophobicContact CG2-CZ3 3.47Å; I2959-W2964 VanDerWaalsContact CG2-CZ3 3.47Å; N2960-W2964 PolarHBondContact O-NE1 3.2Å; N2960-W2964 WeakPolarHBondContact OD1-CA 3.43Å; W2964-R2984 VanDerWaalsContact CB-NH2 3.35Å; W2964-R2984 PolarHBondContact O-NE 3.32Å; W2964-R2984 PolarHBondContact O-NH2 2.71Å
2965	V	62.1	Low	69	Low	70 Å²	70	81.1 Å²	81.1	42%	0.424	38%	0.383	S	S	.	.			trans	-98.4	38.1	-174.3	-175.2	0	0	0	0	111	N2960 T2963 R2967 R2984	N2960-V2965 PolarHBondContact OD1-N 3.35Å; T2963-V2965 VanDerWaalsContact O-CG2 3.24Å; T2963-V2965 WeakPolarHBondContact O-CG2 3.25Å; T2963-V2965 PolarHBondContact O-N 3.46Å; T2963-V2965 VanDerWaalsContact O-N 3.12Å; T2963-V2965 WeakPolarHBondContact OG1-CG2 3.17Å; V2965-R2967 HydrophobicContact CG1-CG 4.24Å; V2965-R2967 VanDerWaalsContact CG1-NH1 3.3Å; V2965-R2967 PolarHBondContact O-N 2.89Å; V2965-R2967 PolarHBondContact O-NH1 2.95Å; V2965-R2984 HydrophobicContact CG1-CG 3.49Å; V2965-R2984 VanDerWaalsContact CG1-CG 3.49Å; V2965-R2984 VanDerWaalsContact CG1-CZ 3.46Å
2966	T	75.6	Confident	70.2	Confident	18 Å²	18	80.5 Å²	80.5	11%	0.11	38%	0.377	C	S	.	.			trans	-74.1	126.5	-173.8	61.7	0	0	0	0	110.8	Q2953 Y2956 I2959 N2960	Q2953-T2966 VanDerWaalsContact OE1-CB 3.26Å; Y2956-T2966 HydrophobicContact CD2-CG2 4.4Å; Y2956-T2966 HydrophobicContact CE2-CG2 4.47Å; Y2956-T2966 WeakPolarHBondContact CE2-OG1 3.48Å; I2959-T2966 HydrophobicContact CG2-CG2 3.84Å; N2960-T2966 VanDerWaalsContact CG-OG1 3.3Å; N2960-T2966 PolarHBondContact ND2-OG1 2.83Å; N2960-T2966 PolarHBondContact OD1-N 3.35Å; N2960-T2966 PolarHBondContact OD1-OG1 2.85Å; N2960-T2966 VanDerWaalsContact OD1-OG1 3.12Å
2967	R	87	Confident	71.4	Confident	45.5 Å²	45.5	85.2 Å²	85.2	17%	0.172	41%	0.412	C	S	.	.			trans	-133.7	150	-179.2	-71.2	175.5	175.7	84.5	-4.9	109.1	V2965 V2982 I2983 R2984 E2989 I2997	V2965-R2967 HydrophobicContact CG1-CG 4.24Å; V2965-R2967 VanDerWaalsContact CG1-NH1 3.3Å; V2965-R2967 PolarHBondContact O-N 2.89Å; V2965-R2967 PolarHBondContact O-NH1 2.95Å; R2967-V2982 HydrophobicContact CB-CB 4.35Å; R2967-V2982 HydrophobicContact CB-CG2 4.43Å; R2967-V2982 HydrophobicContact CG-CG2 4.24Å; R2967-I2983 VanDerWaalsContact CA-O 3.31Å; R2967-I2983 WeakPolarHBondContact CA-O 3.36Å; R2967-R2984 HydrophobicContact CG-CB 4.37Å; R2967-R2984 HydrophobicContact CG-CG 4.42Å; R2967-E2989 IonicContact CZ-OE1 3.36Å; R2967-E2989 IonicContact NE-OE1 2.72Å; R2967-E2989 PolarHBondContact NE-OE1 2.05Å; R2967-E2989 IonicContact NE-OE2 2.71Å; R2967-E2989 IonicContact NH2-OE1 3.55Å; R2967-E2989 PolarHBondContact NH2-OE1 3.22Å; R2967-E2989 IonicContact NH2-OE2 3.95Å; R2967-I2997 HydrophobicContact CB-CD1 3.79Å
2968	A	91.2	Very high	72.9	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.7	168.2	0	0	0	0	0	111.2	Y2913 L2949 V2982 I2983 G2998 F3000	Y2913-A2968 HydrophobicContact CD2-CB 4.41Å; Y2913-A2968 HydrophobicContact CE2-CB 4.02Å; L2949-A2968 HydrophobicContact CD1-CB 3.96Å; L2949-A2968 HydrophobicContact CD2-CB 4.26Å; A2968-V2982 CarbonylContact O-C 3.57Å; A2968-V2982 VanDerWaalsContact O-CA 3.28Å; A2968-V2982 WeakPolarHBondContact O-CA 3.04Å; A2968-V2982 WeakPolarHBondContact O-CB 3.38Å; A2968-I2983 HydrophobicContact CB-CG2 3.93Å; A2968-I2983 PolarHBondContact N-O 2.96Å; A2968-I2983 PolarHBondContact O-N 3.09Å; A2968-G2998 CarbonylContact C-O 3.49Å; A2968-G2998 WeakPolarHBondContact CA-O 3.32Å; A2968-F3000 HydrophobicContact CB-CD2 3.79Å; A2968-F3000 HydrophobicContact CB-CE2 3.74Å
2969	W	95.3	Very high	74.6	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	135.5	171.4	-60.9	121.1	0	0	0	110.9	M2918 Y2920 L2935 C2980 V2982 Y2991 P2992 K2995 I2997 G2998 F2999 F3000	M2918-W2969 PolarHBondContact O-NE1 3.34Å; Y2920-W2969 HydrophobicContact CD2-CB 4.26Å; Y2920-W2969 AromaticContact CD2-CD2 3.94Å; Y2920-W2969 HydrophobicContact CD2-CD2 3.94Å; Y2920-W2969 AromaticContact CD2-CE3 3.62Å; Y2920-W2969 HydrophobicContact CD2-CE3 3.62Å; Y2920-W2969 HydrophobicContact CD2-CG 4.24Å; Y2920-W2969 HydrophobicContact CD2-CZ3 4.25Å; Y2920-W2969 HydrophobicContact CE2-CE3 4.49Å; Y2920-W2969 HydrophobicContact CG-CD2 4.48Å; Y2920-W2969 HydrophobicContact CG-CE3 4.38Å; L2935-W2969 HydrophobicContact CD1-CB 4.3Å; L2935-W2969 HydrophobicContact CD2-CB 4.48Å; W2969-C2980 HydrophobicContact CE3-CB 4.04Å; W2969-C2980 HydrophobicContact CH2-CB 3.97Å; W2969-C2980 HydrophobicContact CZ3-CB 3.38Å; W2969-V2982 HydrophobicContact CD2-CG1 3.97Å; W2969-V2982 HydrophobicContact CE3-CG1 3.24Å; W2969-V2982 HydrophobicContact CH2-CG1 4Å; W2969-V2982 HydrophobicContact CZ3-CG1 3.25Å; W2969-Y2991 AromaticContact CH2-CD1 3.64Å; W2969-Y2991 HydrophobicContact CH2-CD1 3.64Å; W2969-Y2991 HydrophobicContact CH2-CG 4.41Å; W2969-Y2991 HydrophobicContact CZ2-CD1 4.1Å; W2969-Y2991 HydrophobicContact CZ3-CD1 4.27Å; W2969-P2992 WeakPolarHBondContact CH2-O 3.38Å; W2969-K2995 VanDerWaalsContact CZ2-O 3.31Å; W2969-K2995 WeakPolarHBondContact CZ2-O 3.38Å; W2969-I2997 HydrophobicContact CD2-CD1 3.91Å; W2969-I2997 HydrophobicContact CD2-CG1 4.04Å; W2969-I2997 VanDerWaalsContact CE2-CG1 3.49Å; W2969-I2997 HydrophobicContact CE3-CD1 4.43Å; W2969-I2997 HydrophobicContact CG-CD1 4.2Å; W2969-I2997 HydrophobicContact CG-CG1 4.08Å; W2969-I2997 HydrophobicContact CZ2-CD1 4.16Å; W2969-I2997 HydrophobicContact CZ2-CG1 4.06Å; W2969-I2997 VanDerWaalsContact NE1-CG1 3.27Å; W2969-G2998 PolarHBondContact N-O 2.75Å; W2969-F2999 HydrophobicContact CB-CB 3.73Å; W2969-F2999 HydrophobicContact CG-CB 4.4Å; W2969-F3000 PolarHBondContact O-N 3.07Å
2970	V	93.2	Very high	76.5	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	39%	0.389	C	S	.	.			trans	-142.3	151.3	175.2	-67.6	0	0	0	0	108.2	A2936 L2945 T2981 I2983 L2988 F3000	A2936-V2970 CarbonylContact O-C 3.56Å; L2945-V2970 HydrophobicContact CD1-CG1 4.22Å; V2970-T2981 PolarHBondContact N-O 3.02Å; V2970-T2981 WeakPolarHBondContact O-CB 3.35Å; V2970-T2981 PolarHBondContact O-OG1 3.23Å; V2970-I2983 HydrophobicContact CG1-CB 4.22Å; V2970-I2983 HydrophobicContact CG1-CG2 3.83Å; V2970-I2983 HydrophobicContact CG2-CB 4.15Å; V2970-L2988 HydrophobicContact CG2-CD2 3.72Å; V2970-F3000 HydrophobicContact CG1-CD2 4.12Å
2971	D	91.8	Very high	78.4	Confident	58 Å²	58	76.1 Å²	76.1	31%	0.31	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-85	142.7	174.5	-170.5	25.1	0	0	0	110.5	Y2920 L2935 A2936 T2937 S2938	Y2920-D2971 PolarHBondContact OH-OD1 3.21Å; L2935-D2971 HydrophobicContact CB-CB 4.19Å; L2935-D2971 HydrophobicContact CD2-CB 4.11Å; L2935-D2971 HydrophobicContact CG-CB 4.3Å; A2936-D2971 PolarHBondContact O-N 3.27Å; T2937-D2971 CarbonylContact C-O 3.55Å; T2937-D2971 WeakPolarHBondContact CA-O 3.44Å; T2937-D2971 HydrophobicContact CG2-CB 4.17Å; S2938-D2971 VanDerWaalsContact CB-O 3.32Å; S2938-D2971 WeakPolarHBondContact CB-O 3.26Å; S2938-D2971 PolarHBondContact N-O 3.08Å; S2938-D2971 PolarHBondContact OG-O 2.84Å
2972	S	87.5	Confident	80.3	Confident	25.5 Å²	25.5	67 Å²	67	18%	0.178	35%	0.346	C	S	.	.			trans	-156.4	144.3	-178.4	-160.5	0	0	0	0	112	S2938 A2974 L2988	S2938-S2972 WeakPolarHBondContact OG-CA 3.33Å; S2938-S2972 VanDerWaalsContact OG-CB 3.31Å; S2938-S2972 WeakPolarHBondContact OG-CB 3.31Å; S2938-S2972 PolarHBondContact OG-OG 2.79Å; S2972-A2974 PolarHBondContact O-N 3Å; S2972-A2974 VanDerWaalsContact O-N 3.1Å; S2972-A2974 PolarHBondContact OG-N 2.73Å; S2972-L2988 WeakPolarHBondContact OG-CD1 3.27Å
2973	D	81.2	Confident	82.1	Confident	130 Å²	130	58.7 Å²	58.7	70%	0.695	31%	0.314	S	S	*	.	S	Bend	trans	-69.1	-6.8	172	-58.1	-55.2	0	0	0	112.9	Q2975	D2973-Q2975 PolarHBondContact O-N 3Å
2974	A	78.6	Confident	83.6	Confident	39.5 Å²	39.5	57.8 Å²	57.8	33%	0.326	30%	0.3	S	S	.	.			trans	-64.8	102.4	176.6	0	0	0	0	0	111.5	S2972 F2976 T2981	S2972-A2974 PolarHBondContact O-N 3Å; S2972-A2974 VanDerWaalsContact O-N 3.1Å; S2972-A2974 PolarHBondContact OG-N 2.73Å; A2974-F2976 HydrophobicContact CB-CD2 4.47Å; A2974-F2976 HydrophobicContact CB-CE2 3.86Å; A2974-F2976 HydrophobicContact CB-CZ 4.34Å; A2974-F2976 WeakPolarHBondContact O-CD2 3.33Å; A2974-F2976 PolarHBondContact O-N 2.68Å; A2974-F2976 VanDerWaalsContact O-N 3.13Å; A2974-T2981 HydrophobicContact CB-CG2 4.4Å
2975	Q	76.4	Confident	85	Confident	187 Å²	187	54.1 Å²	54.1	87%	0.874	29%	0.291	S	S	*	.			trans	-72.8	107.3	-177.3	-65.8	-176.5	-2.6	0	0	112.1	D2973	D2973-Q2975 PolarHBondContact O-N 3Å
2976	F	82	Confident	85.9	Confident	73 Å²	73	51 Å²	51	32%	0.32	27%	0.274	S	S	.	.			trans	-112.1	116.7	166.9	-59.6	-68.7	0	0	0	109.3	A2974 T2978 H2979 T2981 P2990	A2974-F2976 HydrophobicContact CB-CD2 4.47Å; A2974-F2976 HydrophobicContact CB-CE2 3.86Å; A2974-F2976 HydrophobicContact CB-CZ 4.34Å; A2974-F2976 WeakPolarHBondContact O-CD2 3.33Å; A2974-F2976 PolarHBondContact O-N 2.68Å; A2974-F2976 VanDerWaalsContact O-N 3.13Å; F2976-T2978 VanDerWaalsContact C-N 3.29Å; F2976-T2978 PolarHBondContact O-N 2.91Å; F2976-T2978 VanDerWaalsContact O-N 3.16Å; F2976-H2979 HydrophobicContact CB-CB 4.07Å; F2976-H2979 WeakPolarHBondContact CB-O 3.32Å; F2976-T2981 HydrophobicContact CD2-CG2 3.76Å; F2976-T2981 HydrophobicContact CE2-CG2 3.85Å; F2976-P2990 HydrophobicContact CB-CB 4.3Å; F2976-P2990 HydrophobicContact CD1-CB 3.7Å; F2976-P2990 HydrophobicContact CD1-CG 4.14Å; F2976-P2990 HydrophobicContact CD2-CB 4.06Å; F2976-P2990 HydrophobicContact CE1-CB 3.93Å; F2976-P2990 HydrophobicContact CE1-CG 3.95Å; F2976-P2990 HydrophobicContact CE2-CB 4.26Å; F2976-P2990 HydrophobicContact CG-CB 3.76Å; F2976-P2990 HydrophobicContact CZ-CB 4.2Å; F2976-P2990 HydrophobicContact CZ-CG 4.31Å
2977	P	78.2	Confident	86.4	Confident	132.5 Å²	132.5	59.6 Å²	59.6	86%	0.86	31%	0.305	S	S	*	.	S	Bend	trans	-66.4	-24.1	-167.6	0.1	-1.3	0	0	0	115.4
2978	T	84.5	Confident	86.4	Confident	107.5 Å²	107.5	59.8 Å²	59.8	66%	0.66	31%	0.309	S	S	*	.	S	Bend	trans	-131.5	3.5	-174.5	55.5	0	0	0	0	113.5	F2976	F2976-T2978 VanDerWaalsContact C-N 3.29Å; F2976-T2978 PolarHBondContact O-N 2.91Å; F2976-T2978 VanDerWaalsContact O-N 3.16Å
2979	H	90.4	Very high	86.3	Confident	74.5 Å²	74.5	62 Å²	62	35%	0.345	32%	0.319	S	S	.	.			trans	-133.5	153.7	-172.7	-68.6	74.3	0	0	0	109.6	F2976 P2990	F2976-H2979 HydrophobicContact CB-CB 4.07Å; F2976-H2979 WeakPolarHBondContact CB-O 3.32Å; H2979-P2990 HydrophobicContact CB-CB 3.63Å
2980	C	92	Very high	86.1	Confident	17 Å²	17	64.6 Å²	64.6	12%	0.115	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	158.9	177.6	-71.1	0	0	0	0	110.2	Y2920 W2969 Y2991 C2993	Y2920-C2980 HydrophobicContact CD1-CB 4.35Å; Y2920-C2980 VanDerWaalsContact CD1-SG 3.6Å; Y2920-C2980 HydrophobicContact CD2-CB 3.66Å; Y2920-C2980 HydrophobicContact CE2-CB 4.23Å; Y2920-C2980 HydrophobicContact CG-CB 3.72Å; Y2920-C2980 VanDerWaalsContact CG-SG 3.51Å; W2969-C2980 HydrophobicContact CE3-CB 4.04Å; W2969-C2980 HydrophobicContact CH2-CB 3.97Å; W2969-C2980 HydrophobicContact CZ3-CB 3.38Å; C2980-Y2991 PolarHBondContact N-O 3.1Å; C2980-Y2991 PolarHBondContact O-N 2.99Å; C2980-C2993 HydrophobicContact CB-CB 3.93Å; C2980-C2993 WeakPolarHBondContact CB-SG 3.27Å; C2980-C2993 PolarHBondContact N-SG 2.83Å; C2980-C2993 WeakPolarHBondContact SG-CB 3.17Å; C2980-C2993 CovalentContact SG-SG 2.03Å; C2980-C2993 PolarHBondContact SG-SG 3.01Å
2981	T	92	Very high	86	Confident	7 Å²	7	67 Å²	67	4%	0.043	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.2	-170.8	42.4	0	0	0	0	111.5	V2970 A2974 F2976	V2970-T2981 PolarHBondContact N-O 3.02Å; V2970-T2981 WeakPolarHBondContact O-CB 3.35Å; V2970-T2981 PolarHBondContact O-OG1 3.23Å; A2974-T2981 HydrophobicContact CB-CG2 4.4Å; F2976-T2981 HydrophobicContact CD2-CG2 3.76Å; F2976-T2981 HydrophobicContact CE2-CG2 3.85Å
2982	V	91.3	Very high	86.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	151	170.7	-62.9	0	0	0	0	111.3	R2967 A2968 W2969 L2988 E2989 Y2991 I2997	R2967-V2982 HydrophobicContact CB-CB 4.35Å; R2967-V2982 HydrophobicContact CB-CG2 4.43Å; R2967-V2982 HydrophobicContact CG-CG2 4.24Å; A2968-V2982 CarbonylContact O-C 3.57Å; A2968-V2982 VanDerWaalsContact O-CA 3.28Å; A2968-V2982 WeakPolarHBondContact O-CA 3.04Å; A2968-V2982 WeakPolarHBondContact O-CB 3.38Å; W2969-V2982 HydrophobicContact CD2-CG1 3.97Å; W2969-V2982 HydrophobicContact CE3-CG1 3.24Å; W2969-V2982 HydrophobicContact CH2-CG1 4Å; W2969-V2982 HydrophobicContact CZ3-CG1 3.25Å; V2982-L2988 WeakPolarHBondContact O-CA 3.44Å; V2982-E2989 HydrophobicContact CG2-CB 3.97Å; V2982-E2989 VanDerWaalsContact CG2-O 3.27Å; V2982-E2989 WeakPolarHBondContact CG2-O 3.41Å; V2982-E2989 PolarHBondContact N-O 2.94Å; V2982-E2989 VanDerWaalsContact N-O 3.11Å; V2982-E2989 PolarHBondContact O-N 2.83Å; V2982-Y2991 HydrophobicContact CG1-CD1 4.01Å; V2982-Y2991 HydrophobicContact CG1-CG 4.19Å; V2982-Y2991 HydrophobicContact CG2-CG 4.34Å; V2982-I2997 HydrophobicContact CG1-CD1 3.59Å
2983	I	89.7	Confident	86.3	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.5	166.2	-170.7	168.2	0	0	0	111.2	I2942 L2945 G2946 L2949 R2967 A2968 V2970 W2987 F3000	I2942-I2983 HydrophobicContact CG2-CD1 3.87Å; I2942-I2983 HydrophobicContact CG2-CG1 4.18Å; I2942-I2983 VanDerWaalsContact O-CD1 3.23Å; I2942-I2983 WeakPolarHBondContact O-CD1 3.41Å; L2945-I2983 HydrophobicContact CB-CD1 3.46Å; L2945-I2983 VanDerWaalsContact CB-CD1 3.46Å; G2946-I2983 VanDerWaalsContact N-CD1 3.27Å; L2949-I2983 HydrophobicContact CD2-CG2 4.26Å; R2967-I2983 VanDerWaalsContact CA-O 3.31Å; R2967-I2983 WeakPolarHBondContact CA-O 3.36Å; A2968-I2983 HydrophobicContact CB-CG2 3.93Å; A2968-I2983 PolarHBondContact N-O 2.96Å; A2968-I2983 PolarHBondContact O-N 3.09Å; V2970-I2983 HydrophobicContact CG1-CB 4.22Å; V2970-I2983 HydrophobicContact CG1-CG2 3.83Å; V2970-I2983 HydrophobicContact CG2-CB 4.15Å; I2983-W2987 WeakPolarHBondContact CA-O 3.49Å; I2983-F3000 HydrophobicContact CG2-CE2 4.28Å
2984	R	84.8	Confident	86.8	Confident	74.5 Å²	74.5	66.7 Å²	66.7	28%	0.281	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	120.5	177.3	-178.8	-172.9	175	-168.2	1	110.2	W2964 V2965 R2967 G2986 W2987 E2989	W2964-R2984 VanDerWaalsContact CB-NH2 3.35Å; W2964-R2984 PolarHBondContact O-NE 3.32Å; W2964-R2984 PolarHBondContact O-NH2 2.71Å; V2965-R2984 HydrophobicContact CG1-CG 3.49Å; V2965-R2984 VanDerWaalsContact CG1-CG 3.49Å; V2965-R2984 VanDerWaalsContact CG1-CZ 3.46Å; R2967-R2984 HydrophobicContact CG-CB 4.37Å; R2967-R2984 HydrophobicContact CG-CG 4.42Å; R2984-G2986 PolarHBondContact O-N 2.97Å; R2984-W2987 PolarHBondContact N-O 3.27Å; R2984-W2987 PolarHBondContact O-N 3.02Å; R2984-E2989 WeakPolarHBondContact CD-OE2 3.44Å; R2984-E2989 IonicContact CZ-OE2 3.62Å; R2984-E2989 IonicContact NE-OE2 3.3Å; R2984-E2989 IonicContact NH1-OE1 2.8Å; R2984-E2989 IonicContact NH1-OE2 3.4Å; R2984-E2989 PolarHBondContact NH1-OE2 2.92Å
2985	N	79.3	Confident	87.4	Confident	75 Å²	75	69.8 Å²	69.8	40%	0.401	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	30.3	175.7	-73.7	-16.2	0	0	0	115.8	Y2956 N2960	Y2956-N2985 PolarHBondContact OH-OD1 2.84Å; N2960-N2985 PolarHBondContact ND2-OD1 3.12Å
2986	G	81.7	Confident	88.2	Confident	6.5 Å²	6.5	64 Å²	64	7%	0.067	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	8.1	-178.1	0	0	0	0	0	115.3	I2942 R2984	I2942-G2986 VanDerWaalsContact CG2-C 3.48Å; I2942-G2986 WeakPolarHBondContact CG2-O 3.32Å; R2984-G2986 PolarHBondContact O-N 2.97Å
2987	W	85.3	Confident	88.6	Confident	198.5 Å²	198.5	61.9 Å²	61.9	75%	0.752	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	157	176.5	-50.2	85.5	0	0	0	110.7	I2983 R2984	I2983-W2987 WeakPolarHBondContact CA-O 3.49Å; R2984-W2987 PolarHBondContact N-O 3.27Å; R2984-W2987 PolarHBondContact O-N 3.02Å
2988	L	88.7	Confident	89.3	Confident	49.5 Å²	49.5	55.9 Å²	55.9	26%	0.259	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138	172.2	-65.6	171.4	0	0	0	110.5	S2938 I2942 V2970 S2972 V2982	S2938-L2988 WeakPolarHBondContact OG-CD1 3.34Å; I2942-L2988 HydrophobicContact CD1-CD1 3.69Å; I2942-L2988 HydrophobicContact CD1-CG 3.9Å; I2942-L2988 HydrophobicContact CG1-CD1 4.28Å; I2942-L2988 HydrophobicContact CG1-CG 4.3Å; I2942-L2988 HydrophobicContact CG2-CG 4.3Å; V2970-L2988 HydrophobicContact CG2-CD2 3.72Å; S2972-L2988 WeakPolarHBondContact OG-CD1 3.27Å; V2982-L2988 WeakPolarHBondContact O-CA 3.44Å
2989	E	88	Confident	89.8	Confident	46.5 Å²	46.5	50.8 Å²	50.8	22%	0.217	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.3	179.3	-178.3	-176.5	133.7	0	0	109.4	R2967 V2982 R2984	R2967-E2989 IonicContact CZ-OE1 3.36Å; R2967-E2989 IonicContact NE-OE1 2.72Å; R2967-E2989 PolarHBondContact NE-OE1 2.05Å; R2967-E2989 IonicContact NE-OE2 2.71Å; R2967-E2989 IonicContact NH2-OE1 3.55Å; R2967-E2989 PolarHBondContact NH2-OE1 3.22Å; R2967-E2989 IonicContact NH2-OE2 3.95Å; V2982-E2989 HydrophobicContact CG2-CB 3.97Å; V2982-E2989 VanDerWaalsContact CG2-O 3.27Å; V2982-E2989 WeakPolarHBondContact CG2-O 3.41Å; V2982-E2989 PolarHBondContact N-O 2.94Å; V2982-E2989 VanDerWaalsContact N-O 3.11Å; V2982-E2989 PolarHBondContact O-N 2.83Å; R2984-E2989 WeakPolarHBondContact CD-OE2 3.44Å; R2984-E2989 IonicContact CZ-OE2 3.62Å; R2984-E2989 IonicContact NE-OE2 3.3Å; R2984-E2989 IonicContact NH1-OE1 2.8Å; R2984-E2989 IonicContact NH1-OE2 3.4Å; R2984-E2989 PolarHBondContact NH1-OE2 2.92Å
2990	P	91.3	Very high	90	Very high	54 Å²	54	47.2 Å²	47.2	35%	0.351	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.8	167.3	27.4	-31.4	0	0	0	110.6	F2976 H2979	F2976-P2990 HydrophobicContact CB-CB 4.3Å; F2976-P2990 HydrophobicContact CD1-CB 3.7Å; F2976-P2990 HydrophobicContact CD1-CG 4.14Å; F2976-P2990 HydrophobicContact CD2-CB 4.06Å; F2976-P2990 HydrophobicContact CE1-CB 3.93Å; F2976-P2990 HydrophobicContact CE1-CG 3.95Å; F2976-P2990 HydrophobicContact CE2-CB 4.26Å; F2976-P2990 HydrophobicContact CG-CB 3.76Å; F2976-P2990 HydrophobicContact CZ-CB 4.2Å; F2976-P2990 HydrophobicContact CZ-CG 4.31Å; H2979-P2990 HydrophobicContact CB-CB 3.63Å
2991	Y	91.6	Very high	90.2	Very high	51 Å²	51	46.4 Å²	46.4	20%	0.2	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.2	179.8	-165.4	-118.7	0	0	0	112	W2969 C2980 V2982 C2993 K2995 I2997	W2969-Y2991 AromaticContact CH2-CD1 3.64Å; W2969-Y2991 HydrophobicContact CH2-CD1 3.64Å; W2969-Y2991 HydrophobicContact CH2-CG 4.41Å; W2969-Y2991 HydrophobicContact CZ2-CD1 4.1Å; W2969-Y2991 HydrophobicContact CZ3-CD1 4.27Å; C2980-Y2991 PolarHBondContact N-O 3.1Å; C2980-Y2991 PolarHBondContact O-N 2.99Å; V2982-Y2991 HydrophobicContact CG1-CD1 4.01Å; V2982-Y2991 HydrophobicContact CG1-CG 4.19Å; V2982-Y2991 HydrophobicContact CG2-CG 4.34Å; Y2991-C2993 PolarHBondContact O-N 2.74Å; Y2991-K2995 HydrophobicContact CD1-CB 4.09Å; Y2991-K2995 HydrophobicContact CD1-CG 4.47Å; Y2991-K2995 HydrophobicContact CE1-CB 3.33Å; Y2991-K2995 HydrophobicContact CE1-CG 3.72Å; Y2991-I2997 HydrophobicContact CD1-CD1 4.25Å; Y2991-I2997 HydrophobicContact CE1-CD1 4.34Å; Y2991-I2997 HydrophobicContact CE1-CG2 4.33Å
2992	P	92.5	Very high	90.2	Very high	43 Å²	43	46.9 Å²	46.9	28%	0.279	23%	0.228	S	C	.	.			trans	-63	122.2	-175.9	-22.8	34.1	0	0	0	112.2	W2969 N2994 K2995	W2969-P2992 WeakPolarHBondContact CH2-O 3.38Å; P2992-N2994 WeakPolarHBondContact CB-OD1 3.26Å; P2992-N2994 PolarHBondContact O-N 3.06Å; P2992-N2994 VanDerWaalsContact O-N 3.09Å; P2992-K2995 HydrophobicContact CB-CG 4.11Å; P2992-K2995 HydrophobicContact CG-CG 4.45Å; P2992-K2995 WeakPolarHBondContact O-CB 3.35Å; P2992-K2995 PolarHBondContact O-N 3.4Å
2993	C	92.5	Very high	90.2	Very high	44.5 Å²	44.5	48.3 Å²	48.3	30%	0.301	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.8	-172.2	-55.8	0	0	0	0	114.8	T2919 Y2920 C2980 Y2991 K2995	T2919-C2993 WeakPolarHBondContact CB-O 3.45Å; Y2920-C2993 PolarHBondContact N-O 2.93Å; C2980-C2993 HydrophobicContact CB-CB 3.93Å; C2980-C2993 WeakPolarHBondContact CB-SG 3.27Å; C2980-C2993 PolarHBondContact N-SG 2.83Å; C2980-C2993 WeakPolarHBondContact SG-CB 3.17Å; C2980-C2993 CovalentContact SG-SG 2.03Å; C2980-C2993 PolarHBondContact SG-SG 3.01Å; Y2991-C2993 PolarHBondContact O-N 2.74Å; C2993-K2995 VanDerWaalsContact C-N 3.31Å; C2993-K2995 PolarHBondContact O-N 3.46Å
2994	N	91.5	Very high	89.9	Confident	118.5 Å²	118.5	53.3 Å²	53.3	63%	0.634	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.7	-179.8	66.5	-13.5	0	0	0	113.9	P2992	P2992-N2994 WeakPolarHBondContact CB-OD1 3.26Å; P2992-N2994 PolarHBondContact O-N 3.06Å; P2992-N2994 VanDerWaalsContact O-N 3.09Å
2995	K	91.5	Very high	89.6	Confident	104 Å²	104	50.9 Å²	50.9	45%	0.452	26%	0.259	S	S	.	.	S	Bend	trans	-76.2	144.7	175.4	-65.7	-67.9	-179.7	-174.7	0	110.3	T2919 W2969 Y2991 P2992 C2993	T2919-K2995 WeakPolarHBondContact CA-O 3.46Å; W2969-K2995 VanDerWaalsContact CZ2-O 3.31Å; W2969-K2995 WeakPolarHBondContact CZ2-O 3.38Å; Y2991-K2995 HydrophobicContact CD1-CB 4.09Å; Y2991-K2995 HydrophobicContact CD1-CG 4.47Å; Y2991-K2995 HydrophobicContact CE1-CB 3.33Å; Y2991-K2995 HydrophobicContact CE1-CG 3.72Å; P2992-K2995 HydrophobicContact CB-CG 4.11Å; P2992-K2995 HydrophobicContact CG-CG 4.45Å; P2992-K2995 WeakPolarHBondContact O-CB 3.35Å; P2992-K2995 PolarHBondContact O-N 3.4Å; C2993-K2995 VanDerWaalsContact C-N 3.31Å; C2993-K2995 PolarHBondContact O-N 3.46Å
2996	K	92.7	Very high	89.2	Confident	65.5 Å²	65.5	52.1 Å²	52.1	29%	0.285	26%	0.259	S	S	.	.			trans	-101.2	114.8	-178.2	-67.5	-179.1	179.2	-179.1	0	109.9	E2561 P2917 M2918 T2919	E2561-K2996 WeakPolarHBondContact OE1-CD 3.31Å; E2561-K2996 WeakPolarHBondContact OE1-CE 3.11Å; E2561-K2996 IonicContact OE1-NZ 3.17Å; E2561-K2996 PolarHBondContact OE1-NZ 3.43Å; E2561-K2996 IonicContact OE2-NZ 3.14Å; E2561-K2996 PolarHBondContact OE2-NZ 3.35Å; P2917-K2996 HydrophobicContact CB-CB 4.03Å; M2918-K2996 WeakPolarHBondContact O-CA 3.43Å; T2919-K2996 HydrophobicContact CG2-CG 3.83Å
2997	I	92.1	Very high	88.1	Confident	28.5 Å²	28.5	56.7 Å²	56.7	15%	0.146	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	169.7	179.7	57.8	168.9	0	0	0	110.3	A2916 M2918 R2967 W2969 V2982 Y2991	A2916-I2997 VanDerWaalsContact O-O 3.13Å; M2918-I2997 PolarHBondContact N-O 3.19Å; M2918-I2997 PolarHBondContact O-N 2.97Å; M2918-I2997 VanDerWaalsContact O-N 3.08Å; R2967-I2997 HydrophobicContact CB-CD1 3.79Å; W2969-I2997 HydrophobicContact CD2-CD1 3.91Å; W2969-I2997 HydrophobicContact CD2-CG1 4.04Å; W2969-I2997 VanDerWaalsContact CE2-CG1 3.49Å; W2969-I2997 HydrophobicContact CE3-CD1 4.43Å; W2969-I2997 HydrophobicContact CG-CD1 4.2Å; W2969-I2997 HydrophobicContact CG-CG1 4.08Å; W2969-I2997 HydrophobicContact CZ2-CD1 4.16Å; W2969-I2997 HydrophobicContact CZ2-CG1 4.06Å; W2969-I2997 VanDerWaalsContact NE1-CG1 3.27Å; V2982-I2997 HydrophobicContact CG1-CD1 3.59Å; Y2991-I2997 HydrophobicContact CD1-CD1 4.25Å; Y2991-I2997 HydrophobicContact CE1-CD1 4.34Å; Y2991-I2997 HydrophobicContact CE1-CG2 4.33Å
2998	G	92.5	Very high	86.5	Confident	7 Å²	7	51.2 Å²	51.2	7%	0.072	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	168.9	173.2	0	0	0	0	0	113	F2914 A2968 W2969	F2914-G2998 CarbonylContact O-C 3.51Å; F2914-G2998 WeakPolarHBondContact O-CA 3.01Å; A2968-G2998 CarbonylContact C-O 3.49Å; A2968-G2998 WeakPolarHBondContact CA-O 3.32Å; W2969-G2998 PolarHBondContact N-O 2.75Å
2999	F	95.1	Very high	84.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	162.7	-171.9	58.3	-84.5	0	0	0	112.5	Y2913 F2914 A2916 M2918 A2923 F2926 L2935 W2969	Y2913-F2999 WeakPolarHBondContact CA-O 3.43Å; F2914-F2999 HydrophobicContact CB-CD1 4.21Å; F2914-F2999 HydrophobicContact CB-CD2 4.22Å; F2914-F2999 HydrophobicContact CB-CE1 3.82Å; F2914-F2999 HydrophobicContact CB-CE2 3.85Å; F2914-F2999 HydrophobicContact CB-CG 4.38Å; F2914-F2999 HydrophobicContact CB-CZ 3.63Å; F2914-F2999 HydrophobicContact CD2-CD2 4.2Å; F2914-F2999 AromaticContact CD2-CE2 3.82Å; F2914-F2999 HydrophobicContact CD2-CE2 3.82Å; F2914-F2999 HydrophobicContact CD2-CZ 4.37Å; F2914-F2999 HydrophobicContact CG-CD2 4.49Å; F2914-F2999 AromaticContact CG-CE2 3.9Å; F2914-F2999 HydrophobicContact CG-CE2 3.96Å; F2914-F2999 AromaticContact CG-CZ 3.96Å; F2914-F2999 HydrophobicContact CG-CZ 4.03Å; F2914-F2999 PolarHBondContact N-O 2.9Å; F2914-F2999 PolarHBondContact O-N 3.13Å; A2916-F2999 HydrophobicContact CB-CE1 4.33Å; M2918-F2999 HydrophobicContact CB-CD1 4.18Å; M2918-F2999 HydrophobicContact CB-CE1 3.87Å; M2918-F2999 HydrophobicContact CE-CE1 4.45Å; M2918-F2999 HydrophobicContact CE-CZ 4.45Å; M2918-F2999 HydrophobicContact CG-CE1 3.78Å; M2918-F2999 HydrophobicContact CG-CZ 4.48Å; M2918-F2999 HydrophobicContact SD-CE1 3.46Å; M2918-F2999 WeakPolarHBondContact SD-CE1 3.41Å; M2918-F2999 HydrophobicContact SD-CZ 3.57Å; M2918-F2999 VanDerWaalsContact SD-CZ 3.57Å; A2923-F2999 HydrophobicContact CB-CB 3.93Å; A2923-F2999 HydrophobicContact CB-CD1 3.73Å; A2923-F2999 HydrophobicContact CB-CD2 3.78Å; A2923-F2999 HydrophobicContact CB-CE1 4.14Å; A2923-F2999 HydrophobicContact CB-CE2 4.16Å; A2923-F2999 HydrophobicContact CB-CG 3.55Å; A2923-F2999 HydrophobicContact CB-CZ 4.33Å; F2926-F2999 HydrophobicContact CB-CE2 4.42Å; F2926-F2999 HydrophobicContact CB-CZ 4.2Å; F2926-F2999 AromaticContact CD1-CE2 3.66Å; F2926-F2999 HydrophobicContact CD1-CE2 3.66Å; F2926-F2999 AromaticContact CD1-CZ 3.58Å; F2926-F2999 HydrophobicContact CD1-CZ 3.58Å; F2926-F2999 HydrophobicContact CE1-CE2 4.32Å; F2926-F2999 HydrophobicContact CE1-CZ 4.13Å; F2926-F2999 HydrophobicContact CG-CE2 4.3Å; F2926-F2999 AromaticContact CG-CZ 3.93Å; F2926-F2999 HydrophobicContact CG-CZ 3.93Å; L2935-F2999 HydrophobicContact CD1-CB 4.19Å; L2935-F2999 HydrophobicContact CD1-CD2 4.35Å; W2969-F2999 HydrophobicContact CB-CB 3.73Å; W2969-F2999 HydrophobicContact CG-CB 4.4Å
3000	F	94.8	Very high	83	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132	173.9	-73.5	-90.6	0	0	0	110.8	Y2912 Y2913 L2935 A2936 L2945 K2948 L2949 W2952 A2968 W2969 V2970 I2983	Y2912-F3000 WeakPolarHBondContact O-CA 3.25Å; Y2913-F3000 HydrophobicContact CD2-CD2 4.24Å; Y2913-F3000 HydrophobicContact CD2-CE1 4.29Å; Y2913-F3000 AromaticContact CD2-CE2 3.96Å; Y2913-F3000 HydrophobicContact CD2-CE2 3.99Å; Y2913-F3000 HydrophobicContact CD2-CG 4.49Å; Y2913-F3000 AromaticContact CD2-CZ 3.97Å; Y2913-F3000 HydrophobicContact CD2-CZ 4.01Å; Y2913-F3000 HydrophobicContact CG-CE1 4.41Å; Y2913-F3000 HydrophobicContact CG-CZ 4.45Å; L2935-F3000 WeakPolarHBondContact CD1-O 3.33Å; A2936-F3000 HydrophobicContact CB-CB 3.5Å; A2936-F3000 VanDerWaalsContact CB-CB 3.44Å; A2936-F3000 WeakPolarHBondContact CB-O 3.41Å; A2936-F3000 PolarHBondContact N-O 3.13Å; L2945-F3000 HydrophobicContact CD2-CD1 4Å; L2945-F3000 HydrophobicContact CD2-CD2 4.4Å; L2945-F3000 HydrophobicContact CD2-CE1 4.19Å; L2945-F3000 HydrophobicContact CD2-CG 4.1Å; L2945-F3000 HydrophobicContact CD2-CZ 4.46Å; K2948-F3000 HydrophobicContact CB-CE1 4.28Å; K2948-F3000 HydrophobicContact CB-CZ 4.43Å; L2949-F3000 HydrophobicContact CB-CE2 4.25Å; L2949-F3000 HydrophobicContact CB-CZ 4.02Å; L2949-F3000 HydrophobicContact CD1-CE2 4.07Å; L2949-F3000 HydrophobicContact CD1-CZ 4.22Å; W2952-F3000 AromaticContact CE3-CE1 3.86Å; W2952-F3000 HydrophobicContact CE3-CE1 3.86Å; W2952-F3000 HydrophobicContact CZ3-CD1 4.14Å; W2952-F3000 AromaticContact CZ3-CE1 3.68Å; W2952-F3000 HydrophobicContact CZ3-CE1 3.68Å; A2968-F3000 HydrophobicContact CB-CD2 3.79Å; A2968-F3000 HydrophobicContact CB-CE2 3.74Å; W2969-F3000 PolarHBondContact O-N 3.07Å; V2970-F3000 HydrophobicContact CG1-CD2 4.12Å; I2983-F3000 HydrophobicContact CG2-CE2 4.28Å
3001	C	95	Very high	81.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	148.9	163.5	-56.6	0	0	0	0	110.8	W2903 F2911 Y2912 F2914 C2927 V2931 I2934	W2903-C3001 HydrophobicContact CH2-CB 4.4Å; F2911-C3001 WeakPolarHBondContact CA-O 3.36Å; Y2912-C3001 PolarHBondContact N-O 3.2Å; Y2912-C3001 VanDerWaalsContact N-O 3.16Å; Y2912-C3001 PolarHBondContact O-N 2.87Å; F2914-C3001 HydrophobicContact CD2-CB 4.39Å; F2914-C3001 HydrophobicContact CE2-CB 3.81Å; F2914-C3001 WeakPolarHBondContact CE2-SG 3.31Å; C2927-C3001 WeakPolarHBondContact CA-SG 3.03Å; C2927-C3001 HydrophobicContact CB-CB 3.84Å; C2927-C3001 WeakPolarHBondContact CB-SG 3.37Å; C2927-C3001 VanDerWaalsContact SG-CA 3.54Å; C2927-C3001 WeakPolarHBondContact SG-CB 3.37Å; C2927-C3001 CovalentContact SG-SG 2.04Å; C2927-C3001 PolarHBondContact SG-SG 2.9Å; V2931-C3001 HydrophobicContact CG1-CB 4.14Å; I2934-C3001 CarbonylContact O-C 3.58Å; I2934-C3001 WeakPolarHBondContact O-CA 3.27Å
3002	Q	93	Very high	79.4	Confident	18 Å²	18	56.8 Å²	56.8	8%	0.084	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.9	172.3	172.5	-179.3	-18.9	0	0	109.1	N2909 C2910 F2911 G2933 I2934 A2936 T2937	N2909-Q3002 HydrophobicContact CB-CG 4.13Å; N2909-Q3002 VanDerWaalsContact CG-NE2 3.27Å; N2909-Q3002 PolarHBondContact OD1-NE2 3.29Å; C2910-Q3002 CarbonylContact O-C 3.59Å; C2910-Q3002 WeakPolarHBondContact O-CA 3.47Å; F2911-Q3002 HydrophobicContact CD1-CB 4.06Å; F2911-Q3002 HydrophobicContact CD1-CG 4.46Å; F2911-Q3002 HydrophobicContact CE1-CB 3.77Å; F2911-Q3002 HydrophobicContact CE1-CG 3.81Å; F2911-Q3002 HydrophobicContact CZ-CG 4.14Å; G2933-Q3002 CarbonylContact C-O 3.55Å; G2933-Q3002 VanDerWaalsContact CA-O 3.28Å; G2933-Q3002 WeakPolarHBondContact CA-O 3.41Å; I2934-Q3002 HydrophobicContact CG1-CB 4.17Å; I2934-Q3002 HydrophobicContact CG1-CG 4.44Å; I2934-Q3002 PolarHBondContact N-O 3.37Å; I2934-Q3002 PolarHBondContact O-N 3.31Å; A2936-Q3002 HydrophobicContact CB-CB 4.04Å; T2937-Q3002 VanDerWaalsContact N-OE1 3.15Å; T2937-Q3002 PolarHBondContact OG1-OE1 3.13Å
3003	K	89.9	Confident	77.9	Confident	28 Å²	28	63.2 Å²	63.2	12%	0.122	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142	174.1	-170.5	165.6	-167.5	161.7	0	109.8	P2900 W2903 C2910 V2931 D2932	P2900-K3003 HydrophobicContact CG-CD 4.49Å; W2903-K3003 HydrophobicContact CE3-CB 4.42Å; W2903-K3003 HydrophobicContact CZ3-CB 3.96Å; C2910-K3003 HydrophobicContact CB-CB 4.46Å; C2910-K3003 WeakPolarHBondContact CB-O 3.43Å; C2910-K3003 PolarHBondContact N-O 3.14Å; C2910-K3003 PolarHBondContact O-N 2.94Å; V2931-K3003 WeakPolarHBondContact O-CD 3.4Å; V2931-K3003 VanDerWaalsContact O-CE 3.28Å; V2931-K3003 WeakPolarHBondContact O-CE 3.47Å; V2931-K3003 PolarHBondContact O-NZ 3.26Å; D2932-K3003 WeakPolarHBondContact O-CE 3.45Å; D2932-K3003 IonicContact OD2-NZ 2.74Å; D2932-K3003 PolarHBondContact OD2-NZ 2.75Å
3004	T	85	Confident	76.7	Confident	106 Å²	106	70.8 Å²	70.8	65%	0.65	36%	0.361	S	S	*	.			trans	-70.4	139.9	172.7	52.1	0	0	0	0	110.5
3005	P	77.8	Confident	75.9	Confident	25 Å²	25	69.2 Å²	69.2	16%	0.162	36%	0.355	C	S	.	.			trans	-61.1	151.1	177.7	23.4	-33.5	0	0	0	112.5	Y2898 F2908 V3007	Y2898-P3005 VanDerWaalsContact CB-CB 3.47Å; Y2898-P3005 HydrophobicContact CG-CB 4.49Å; Y2898-P3005 CarbonylContact O-C 3.56Å; Y2898-P3005 WeakPolarHBondContact O-CA 3.38Å; F2908-P3005 WeakPolarHBondContact O-CD 3.14Å; F2908-P3005 VanDerWaalsContact O-CG 3.25Å; F2908-P3005 WeakPolarHBondContact O-CG 3.47Å; P3005-V3007 PolarHBondContact O-N 2.98Å
3006	Y	70.6	Confident	75.2	Confident	101 Å²	101	67.6 Å²	67.6	40%	0.396	35%	0.354	S	S	.	.			trans	-65.6	101.7	170.4	-61.1	-67.7	0	0	0	109.9	Y2898 P2900 S3008	Y2898-Y3006 WeakPolarHBondContact O-CD2 3.43Å; Y2898-Y3006 PolarHBondContact O-N 2.98Å; P2900-Y3006 HydrophobicContact CG-CE2 4.08Å; Y3006-S3008 VanDerWaalsContact C-N 3.33Å; Y3006-S3008 PolarHBondContact O-N 2.04Å
3007	V	58.7	Low	74.6	Confident	102 Å²	102	69.1 Å²	69.1	62%	0.618	36%	0.364	S	S	*	.			trans	-73	90.6	173.9	-170.5	0	0	0	0	108.9	P3005 Y3009	P3005-V3007 PolarHBondContact O-N 2.98Å; V3007-Y3009 VanDerWaalsContact C-N 3.33Å; V3007-Y3009 HydrophobicContact CB-CD2 4.11Å; V3007-Y3009 HydrophobicContact CB-CE2 3.97Å; V3007-Y3009 HydrophobicContact CG1-CD2 3.6Å; V3007-Y3009 HydrophobicContact CG1-CE2 3.41Å; V3007-Y3009 VanDerWaalsContact CG1-CE2 3.41Å; V3007-Y3009 HydrophobicContact CG1-CG 4.43Å; V3007-Y3009 WeakPolarHBondContact O-CD2 3.05Å; V3007-Y3009 PolarHBondContact O-N 2.79Å
3008	S	51.3	Low	74.1	Confident	83 Å²	83	70.2 Å²	70.2	58%	0.58	38%	0.378	S	S	*	.			trans	-68	92.8	170.3	-173.9	0	0	0	0	109.3	Y3006 S3010	Y3006-S3008 VanDerWaalsContact C-N 3.33Å; Y3006-S3008 PolarHBondContact O-N 2.04Å; S3008-S3010 PolarHBondContact O-N 3.01Å
3009	Y	49.3	Very low	73.7	Confident	156 Å²	156	74.3 Å²	74.3	61%	0.612	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	21.4	174.1	-89.2	-92.2	0	0	0	113	V3007 G3011 A3012 R3013	V3007-Y3009 VanDerWaalsContact C-N 3.33Å; V3007-Y3009 HydrophobicContact CB-CD2 4.11Å; V3007-Y3009 HydrophobicContact CB-CE2 3.97Å; V3007-Y3009 HydrophobicContact CG1-CD2 3.6Å; V3007-Y3009 HydrophobicContact CG1-CE2 3.41Å; V3007-Y3009 VanDerWaalsContact CG1-CE2 3.41Å; V3007-Y3009 HydrophobicContact CG1-CG 4.43Å; V3007-Y3009 WeakPolarHBondContact O-CD2 3.05Å; V3007-Y3009 PolarHBondContact O-N 2.79Å; Y3009-G3011 PolarHBondContact O-N 2.82Å; Y3009-A3012 HydrophobicContact CD1-CB 3.5Å; Y3009-A3012 HydrophobicContact CE1-CB 4.03Å; Y3009-A3012 HydrophobicContact CG-CB 4.37Å; Y3009-R3013 WeakPolarHBondContact O-CA 3.28Å; Y3009-R3013 WeakPolarHBondContact O-CB 2.88Å; Y3009-R3013 PolarHBondContact O-N 2.04Å
3010	S	54.9	Low	73.2	Confident	80 Å²	80	79.9 Å²	79.9	56%	0.559	43%	0.427	S	S	*	.	H	α-helix	trans	-62.1	-46.1	-178.7	64.7	0	0	0	0	112.6	S3008	S3008-S3010 PolarHBondContact O-N 3.01Å
3011	G	52.6	Low	72.8	Confident	42 Å²	42	81.9 Å²	81.9	43%	0.433	45%	0.447	S	S	.	.	H	α-helix	trans	-72.3	-49.5	174.4	0	0	0	0	0	112.1	Y3009 R3013 R3014 V3015	Y3009-G3011 PolarHBondContact O-N 2.82Å; G3011-R3013 VanDerWaalsContact C-N 3.31Å; G3011-R3013 PolarHBondContact O-N 2.86Å; G3011-R3014 PolarHBondContact O-N 3.49Å; G3011-R3014 VanDerWaalsContact O-N 3.1Å; G3011-V3015 PolarHBondContact O-N 3.25Å
3012	A	54.5	Low	72.5	Confident	40 Å²	40	86.7 Å²	86.7	33%	0.331	47%	0.472	S	S	.	.	H	α-helix	trans	-63.6	-31.9	-179.9	0	0	0	0	0	112.9	Y3009 V3015 V3016	Y3009-A3012 HydrophobicContact CD1-CB 3.5Å; Y3009-A3012 HydrophobicContact CE1-CB 4.03Å; Y3009-A3012 HydrophobicContact CG-CB 4.37Å; A3012-V3015 PolarHBondContact O-N 3.28Å; A3012-V3016 WeakPolarHBondContact O-CA 3.27Å; A3012-V3016 WeakPolarHBondContact O-CB 3.25Å; A3012-V3016 WeakPolarHBondContact O-CG2 3.32Å; A3012-V3016 PolarHBondContact O-N 3.44Å
3013	R	60.7	Low	72.3	Confident	178 Å²	178	89.4 Å²	89.4	67%	0.672	49%	0.49	S	S	*	.	H	α-helix	trans	-65.4	-37.6	173.2	179	175.2	172.6	-167.5	-2.3	111.5	Y3009 G3011 I3017	Y3009-R3013 WeakPolarHBondContact O-CA 3.28Å; Y3009-R3013 WeakPolarHBondContact O-CB 2.88Å; Y3009-R3013 PolarHBondContact O-N 2.04Å; G3011-R3013 VanDerWaalsContact C-N 3.31Å; G3011-R3013 PolarHBondContact O-N 2.86Å; R3013-I3017 HydrophobicContact CG-CD1 3.58Å; R3013-I3017 HydrophobicContact CG-CG1 4.26Å; R3013-I3017 WeakPolarHBondContact O-CB 3.31Å; R3013-I3017 WeakPolarHBondContact O-CD1 3.24Å; R3013-I3017 WeakPolarHBondContact O-CG1 3.23Å; R3013-I3017 PolarHBondContact O-N 2.89Å
3014	R	66.6	Low	72.2	Confident	204 Å²	204	89.8 Å²	89.8	77%	0.77	50%	0.502	S	S	*	.	H	α-helix	trans	-67.8	-45.4	173.7	-65.7	-175.5	-170.8	-162	2.8	111.2	G3011 A3018	G3011-R3014 PolarHBondContact O-N 3.49Å; G3011-R3014 VanDerWaalsContact O-N 3.1Å; R3014-A3018 WeakPolarHBondContact O-CB 3.3Å; R3014-A3018 PolarHBondContact O-N 3.47Å
3015	V	75.7	Confident	72.4	Confident	85 Å²	85	87.5 Å²	87.5	52%	0.515	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-40.5	178.7	177.7	0	0	0	0	111.7	G3011 A3012 A3018 L3019	G3011-V3015 PolarHBondContact O-N 3.25Å; A3012-V3015 PolarHBondContact O-N 3.28Å; V3015-A3018 PolarHBondContact O-N 2.82Å; V3015-L3019 HydrophobicContact CG1-CD1 3.84Å; V3015-L3019 HydrophobicContact CG1-CG 4.31Å; V3015-L3019 VanDerWaalsContact O-CB 3.24Å; V3015-L3019 WeakPolarHBondContact O-CB 3.45Å; V3015-L3019 WeakPolarHBondContact O-CG 3.24Å; V3015-L3019 PolarHBondContact O-N 3.26Å
3016	V	77.6	Confident	72.9	Confident	70 Å²	70	91.5 Å²	91.5	42%	0.424	51%	0.51	S	S	.	.	H	α-helix	trans	-72.9	-38.1	177.3	171.8	0	0	0	0	111.5	A3012 L3019 L3020	A3012-V3016 WeakPolarHBondContact O-CA 3.27Å; A3012-V3016 WeakPolarHBondContact O-CB 3.25Å; A3012-V3016 WeakPolarHBondContact O-CG2 3.32Å; A3012-V3016 PolarHBondContact O-N 3.44Å; V3016-L3019 PolarHBondContact O-N 3.37Å; V3016-L3020 HydrophobicContact CG1-CD1 3.73Å; V3016-L3020 HydrophobicContact CG1-CG 4.13Å; V3016-L3020 WeakPolarHBondContact O-CB 3.12Å; V3016-L3020 WeakPolarHBondContact O-CG 3.36Å; V3016-L3020 PolarHBondContact O-N 3.43Å
3017	I	79.2	Confident	73.7	Confident	97 Å²	97	91.7 Å²	91.7	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-67.3	-38.2	171.6	-69.8	170.7	0	0	0	110.6	R3013 G3021	R3013-I3017 HydrophobicContact CG-CD1 3.58Å; R3013-I3017 HydrophobicContact CG-CG1 4.26Å; R3013-I3017 WeakPolarHBondContact O-CB 3.31Å; R3013-I3017 WeakPolarHBondContact O-CD1 3.24Å; R3013-I3017 WeakPolarHBondContact O-CG1 3.23Å; R3013-I3017 PolarHBondContact O-N 2.89Å; I3017-G3021 WeakPolarHBondContact O-CA 3.46Å; I3017-G3021 PolarHBondContact O-N 3.28Å
3018	A	81	Confident	75.1	Confident	52 Å²	52	89.8 Å²	89.8	43%	0.43	51%	0.512	S	S	.	.	H	α-helix	trans	-66.6	-41.7	173.9	0	0	0	0	0	111.9	R3014 V3015 G3021 L3022	R3014-A3018 WeakPolarHBondContact O-CB 3.3Å; R3014-A3018 PolarHBondContact O-N 3.47Å; V3015-A3018 PolarHBondContact O-N 2.82Å; A3018-G3021 CarbonylContact O-C 3.59Å; A3018-G3021 PolarHBondContact O-N 3.19Å; A3018-L3022 VanDerWaalsContact O-CB 3.3Å; A3018-L3022 WeakPolarHBondContact O-CB 3.39Å; A3018-L3022 VanDerWaalsContact O-CG 3.22Å; A3018-L3022 WeakPolarHBondContact O-CG 3.14Å; A3018-L3022 PolarHBondContact O-N 3.45Å
3019	L	84.4	Confident	76.8	Confident	94 Å²	94	90.6 Å²	90.6	49%	0.492	51%	0.509	S	S	.	.	H	α-helix	trans	-68.3	-42	175.5	-77.2	170.4	0	0	0	111.9	V3015 V3016 G3021 L3022 V3023	V3015-L3019 HydrophobicContact CG1-CD1 3.84Å; V3015-L3019 HydrophobicContact CG1-CG 4.31Å; V3015-L3019 VanDerWaalsContact O-CB 3.24Å; V3015-L3019 WeakPolarHBondContact O-CB 3.45Å; V3015-L3019 WeakPolarHBondContact O-CG 3.24Å; V3015-L3019 PolarHBondContact O-N 3.26Å; V3016-L3019 PolarHBondContact O-N 3.37Å; L3019-G3021 VanDerWaalsContact C-N 3.3Å; L3019-G3021 PolarHBondContact O-N 3.09Å; L3019-L3022 PolarHBondContact O-N 3.45Å; L3019-V3023 VanDerWaalsContact O-CB 3.24Å; L3019-V3023 WeakPolarHBondContact O-CB 3.39Å; L3019-V3023 WeakPolarHBondContact O-CG2 3.09Å; L3019-V3023 PolarHBondContact O-N 2.94Å
3020	L	84.2	Confident	78.5	Confident	117 Å²	117	85.5 Å²	85.5	61%	0.613	50%	0.497	S	S	*	.	H	α-helix	trans	-67.2	-32.4	173.1	-71.5	171.4	0	0	0	111.4	V3016 G3024	V3016-L3020 HydrophobicContact CG1-CD1 3.73Å; V3016-L3020 HydrophobicContact CG1-CG 4.13Å; V3016-L3020 WeakPolarHBondContact O-CB 3.12Å; V3016-L3020 WeakPolarHBondContact O-CG 3.36Å; V3016-L3020 PolarHBondContact O-N 3.43Å; L3020-G3024 WeakPolarHBondContact O-CA 3.07Å; L3020-G3024 PolarHBondContact O-N 3.47Å
3021	G	87.2	Confident	80	Confident	42 Å²	42	85.5 Å²	85.5	43%	0.433	49%	0.493	S	S	.	.	H	α-helix	trans	-69.9	-38.1	171.7	0	0	0	0	0	112.9	I3017 A3018 L3019 S3025	I3017-G3021 WeakPolarHBondContact O-CA 3.46Å; I3017-G3021 PolarHBondContact O-N 3.28Å; A3018-G3021 CarbonylContact O-C 3.59Å; A3018-G3021 PolarHBondContact O-N 3.19Å; L3019-G3021 VanDerWaalsContact C-N 3.3Å; L3019-G3021 PolarHBondContact O-N 3.09Å; G3021-S3025 WeakPolarHBondContact O-CB 3.05Å; G3021-S3025 PolarHBondContact O-N 3.18Å; G3021-S3025 PolarHBondContact O-OG 2.93Å
3022	L	88.7	Confident	81.7	Confident	100 Å²	100	85.6 Å²	85.6	52%	0.524	49%	0.489	S	S	.	.	H	α-helix	trans	-74.5	-40.4	175	-76	169	0	0	0	112.2	A3018 L3019 S3025 L3026	A3018-L3022 VanDerWaalsContact O-CB 3.3Å; A3018-L3022 WeakPolarHBondContact O-CB 3.39Å; A3018-L3022 VanDerWaalsContact O-CG 3.22Å; A3018-L3022 WeakPolarHBondContact O-CG 3.14Å; A3018-L3022 PolarHBondContact O-N 3.45Å; L3019-L3022 PolarHBondContact O-N 3.45Å; L3022-S3025 WeakPolarHBondContact CA-OG 3.41Å; L3022-S3025 PolarHBondContact O-N 2.68Å; L3022-S3025 PolarHBondContact O-OG 2.92Å; L3022-S3025 VanDerWaalsContact O-OG 3.07Å; L3022-L3026 WeakPolarHBondContact O-CB 3.35Å; L3022-L3026 WeakPolarHBondContact O-CD1 3.38Å; L3022-L3026 WeakPolarHBondContact O-CG 3.3Å; L3022-L3026 PolarHBondContact O-N 3.25Å
3023	V	88.5	Confident	83.2	Confident	75 Å²	75	89 Å²	89	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-69	-40.4	173.5	170.1	0	0	0	0	109.8	L3019 L3026 L3027	L3019-V3023 VanDerWaalsContact O-CB 3.24Å; L3019-V3023 WeakPolarHBondContact O-CB 3.39Å; L3019-V3023 WeakPolarHBondContact O-CG2 3.09Å; L3019-V3023 PolarHBondContact O-N 2.94Å; V3023-L3026 PolarHBondContact O-N 2.91Å; V3023-L3027 HydrophobicContact CG1-CD1 3.97Å; V3023-L3027 HydrophobicContact CG1-CG 4.47Å; V3023-L3027 VanDerWaalsContact O-CB 3.26Å; V3023-L3027 WeakPolarHBondContact O-CB 3.5Å; V3023-L3027 VanDerWaalsContact O-CG 3.24Å; V3023-L3027 WeakPolarHBondContact O-CG 3.48Å; V3023-L3027 PolarHBondContact O-N 2.94Å
3024	G	88.9	Confident	84.4	Confident	36 Å²	36	86.5 Å²	86.5	37%	0.371	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-41	172.8	0	0	0	0	0	112.6	L3020 L3027 A3028	L3020-G3024 WeakPolarHBondContact O-CA 3.07Å; L3020-G3024 PolarHBondContact O-N 3.47Å; G3024-L3027 PolarHBondContact O-N 2.85Å; G3024-A3028 WeakPolarHBondContact O-CB 3.46Å; G3024-A3028 PolarHBondContact O-N 3.03Å
3025	S	87.9	Confident	85.2	Confident	58 Å²	58	82.1 Å²	82.1	41%	0.406	49%	0.492	S	S	.	.	H	α-helix	trans	-71.2	-39.9	175.1	74.3	0	0	0	0	111.8	G3021 L3022 A3028 L3029	G3021-S3025 WeakPolarHBondContact O-CB 3.05Å; G3021-S3025 PolarHBondContact O-N 3.18Å; G3021-S3025 PolarHBondContact O-OG 2.93Å; L3022-S3025 WeakPolarHBondContact CA-OG 3.41Å; L3022-S3025 PolarHBondContact O-N 2.68Å; L3022-S3025 PolarHBondContact O-OG 2.92Å; L3022-S3025 VanDerWaalsContact O-OG 3.07Å; S3025-A3028 CarbonylContact O-C 3.58Å; S3025-A3028 PolarHBondContact O-N 2.98Å; S3025-L3029 VanDerWaalsContact O-CB 3.31Å; S3025-L3029 WeakPolarHBondContact O-CB 3.42Å; S3025-L3029 PolarHBondContact O-N 3.04Å
3026	L	88.1	Confident	85.7	Confident	110 Å²	110	82.1 Å²	82.1	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-64.2	-36.4	172.2	-78.2	163.7	0	0	0	112.5	L3022 V3023 S3030	L3022-L3026 WeakPolarHBondContact O-CB 3.35Å; L3022-L3026 WeakPolarHBondContact O-CD1 3.38Å; L3022-L3026 WeakPolarHBondContact O-CG 3.3Å; L3022-L3026 PolarHBondContact O-N 3.25Å; V3023-L3026 PolarHBondContact O-N 2.91Å; L3026-S3030 VanDerWaalsContact O-CB 3.23Å; L3026-S3030 WeakPolarHBondContact O-CB 3.42Å; L3026-S3030 PolarHBondContact O-N 2.95Å; L3026-S3030 PolarHBondContact O-OG 2.82Å
3027	L	88.7	Confident	86	Confident	104 Å²	104	80.5 Å²	80.5	55%	0.545	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-44.8	171.4	-78.2	168.8	0	0	0	110.7	V3023 G3024 L3029 S3030 V3031	V3023-L3027 HydrophobicContact CG1-CD1 3.97Å; V3023-L3027 HydrophobicContact CG1-CG 4.47Å; V3023-L3027 VanDerWaalsContact O-CB 3.26Å; V3023-L3027 WeakPolarHBondContact O-CB 3.5Å; V3023-L3027 VanDerWaalsContact O-CG 3.24Å; V3023-L3027 WeakPolarHBondContact O-CG 3.48Å; V3023-L3027 PolarHBondContact O-N 2.94Å; G3024-L3027 PolarHBondContact O-N 2.85Å; L3027-L3029 PolarHBondContact O-N 2.85Å; L3027-S3030 WeakPolarHBondContact CA-OG 3.28Å; L3027-S3030 PolarHBondContact O-N 2.94Å; L3027-S3030 PolarHBondContact O-OG 2.88Å; L3027-S3030 VanDerWaalsContact O-OG 3.05Å; L3027-V3031 WeakPolarHBondContact O-CB 3.31Å; L3027-V3031 VanDerWaalsContact O-CG2 3.24Å; L3027-V3031 WeakPolarHBondContact O-CG2 3.28Å; L3027-V3031 PolarHBondContact O-N 2.89Å
3028	A	86.7	Confident	86	Confident	62 Å²	62	84.5 Å²	84.5	51%	0.512	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-40.1	174.2	0	0	0	0	0	112.4	G3024 S3025 A3032	G3024-A3028 WeakPolarHBondContact O-CB 3.46Å; G3024-A3028 PolarHBondContact O-N 3.03Å; S3025-A3028 CarbonylContact O-C 3.58Å; S3025-A3028 PolarHBondContact O-N 2.98Å; A3028-A3032 VanDerWaalsContact O-CB 3.22Å; A3028-A3032 WeakPolarHBondContact O-CB 3.31Å; A3028-A3032 PolarHBondContact O-N 2.98Å
3029	L	88.1	Confident	86	Confident	101 Å²	101	88.8 Å²	88.8	53%	0.529	51%	0.508	S	S	.	.	H	α-helix	trans	-71.1	-39.7	178.2	-125.3	163.5	0	0	0	111.6	S3025 L3027 A3032 L3033	S3025-L3029 VanDerWaalsContact O-CB 3.31Å; S3025-L3029 WeakPolarHBondContact O-CB 3.42Å; S3025-L3029 PolarHBondContact O-N 3.04Å; L3027-L3029 PolarHBondContact O-N 2.85Å; L3029-A3032 PolarHBondContact O-N 2.94Å; L3029-L3033 HydrophobicContact CD2-CD1 3.93Å; L3029-L3033 HydrophobicContact CD2-CG 4.09Å; L3029-L3033 VanDerWaalsContact O-CB 3.28Å; L3029-L3033 WeakPolarHBondContact O-CB 3.49Å; L3029-L3033 VanDerWaalsContact O-CG 3.23Å; L3029-L3033 WeakPolarHBondContact O-CG 3.19Å; L3029-L3033 PolarHBondContact O-N 2.87Å
3030	S	84.9	Confident	85.9	Confident	49 Å²	49	88.4 Å²	88.4	34%	0.343	51%	0.509	S	S	.	.	H	α-helix	trans	-70	-38.5	174.9	58.5	0	0	0	0	111.7	L3026 L3027 L3033 L3034	L3026-S3030 VanDerWaalsContact O-CB 3.23Å; L3026-S3030 WeakPolarHBondContact O-CB 3.42Å; L3026-S3030 PolarHBondContact O-N 2.95Å; L3026-S3030 PolarHBondContact O-OG 2.82Å; L3027-S3030 WeakPolarHBondContact CA-OG 3.28Å; L3027-S3030 PolarHBondContact O-N 2.94Å; L3027-S3030 PolarHBondContact O-OG 2.88Å; L3027-S3030 VanDerWaalsContact O-OG 3.05Å; S3030-L3033 PolarHBondContact O-N 2.79Å; S3030-L3034 VanDerWaalsContact O-CB 3.28Å; S3030-L3034 WeakPolarHBondContact O-CB 3.48Å; S3030-L3034 WeakPolarHBondContact O-CG 3.4Å; S3030-L3034 PolarHBondContact O-N 2.78Å
3031	V	86.8	Confident	85.8	Confident	79 Å²	79	88.8 Å²	88.8	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-41.8	170	170.7	0	0	0	0	110.9	L3027 L3034 L3035	L3027-V3031 WeakPolarHBondContact O-CB 3.31Å; L3027-V3031 VanDerWaalsContact O-CG2 3.24Å; L3027-V3031 WeakPolarHBondContact O-CG2 3.28Å; L3027-V3031 PolarHBondContact O-N 2.89Å; V3031-L3034 PolarHBondContact O-N 3.38Å; V3031-L3035 HydrophobicContact CG1-CD1 4.06Å; V3031-L3035 HydrophobicContact CG1-CG 4.47Å; V3031-L3035 WeakPolarHBondContact O-CB 3.31Å; V3031-L3035 VanDerWaalsContact O-CG 3.3Å; V3031-L3035 WeakPolarHBondContact O-CG 3.38Å; V3031-L3035 PolarHBondContact O-N 2.9Å
3032	A	86.5	Confident	85.5	Confident	44 Å²	44	89.7 Å²	89.7	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-64.5	-41.1	174.5	0	0	0	0	0	112.3	A3028 L3029 L3035 V3036	A3028-A3032 VanDerWaalsContact O-CB 3.22Å; A3028-A3032 WeakPolarHBondContact O-CB 3.31Å; A3028-A3032 PolarHBondContact O-N 2.98Å; L3029-A3032 PolarHBondContact O-N 2.94Å; A3032-L3035 PolarHBondContact O-N 2.87Å; A3032-V3036 WeakPolarHBondContact O-CB 3.3Å; A3032-V3036 VanDerWaalsContact O-CG2 3.27Å; A3032-V3036 WeakPolarHBondContact O-CG2 3.36Å; A3032-V3036 PolarHBondContact O-N 2.84Å
3033	L	86.7	Confident	84.9	Confident	112 Å²	112	93.9 Å²	93.9	59%	0.586	51%	0.514	S	S	*	.	H	α-helix	trans	-69.8	-32.1	175	-75.5	169.1	0	0	0	112.4	L3029 S3030 G3037	L3029-L3033 HydrophobicContact CD2-CD1 3.93Å; L3029-L3033 HydrophobicContact CD2-CG 4.09Å; L3029-L3033 VanDerWaalsContact O-CB 3.28Å; L3029-L3033 WeakPolarHBondContact O-CB 3.49Å; L3029-L3033 VanDerWaalsContact O-CG 3.23Å; L3029-L3033 WeakPolarHBondContact O-CG 3.19Å; L3029-L3033 PolarHBondContact O-N 2.87Å; S3030-L3033 PolarHBondContact O-N 2.79Å; L3033-G3037 WeakPolarHBondContact O-CA 3.4Å; L3033-G3037 PolarHBondContact O-N 2.89Å
3034	L	86.2	Confident	84.2	Confident	126 Å²	126	98.4 Å²	98.4	66%	0.66	52%	0.523	S	S	*	.	H	α-helix	trans	-70.2	-40.7	170.9	-76	170.1	0	0	0	110.9	S3030 V3031 G3037 W3038	S3030-L3034 VanDerWaalsContact O-CB 3.28Å; S3030-L3034 WeakPolarHBondContact O-CB 3.48Å; S3030-L3034 WeakPolarHBondContact O-CG 3.4Å; S3030-L3034 PolarHBondContact O-N 2.78Å; V3031-L3034 PolarHBondContact O-N 3.38Å; L3034-G3037 PolarHBondContact O-N 3.46Å; L3034-W3038 WeakPolarHBondContact O-CB 3.39Å; L3034-W3038 PolarHBondContact O-N 2.67Å
3035	L	84.3	Confident	83.3	Confident	111 Å²	111	104 Å²	104	58%	0.581	53%	0.533	S	S	*	.	H	α-helix	trans	-66.3	-45.9	174.1	-75	170.5	0	0	0	111.6	V3031 A3032 W3038 F3039	V3031-L3035 HydrophobicContact CG1-CD1 4.06Å; V3031-L3035 HydrophobicContact CG1-CG 4.47Å; V3031-L3035 WeakPolarHBondContact O-CB 3.31Å; V3031-L3035 VanDerWaalsContact O-CG 3.3Å; V3031-L3035 WeakPolarHBondContact O-CG 3.38Å; V3031-L3035 PolarHBondContact O-N 2.9Å; A3032-L3035 PolarHBondContact O-N 2.87Å; L3035-W3038 PolarHBondContact O-N 2.81Å; L3035-F3039 VanDerWaalsContact O-CB 3.31Å; L3035-F3039 WeakPolarHBondContact O-CB 3.48Å; L3035-F3039 PolarHBondContact O-N 2.87Å
3036	V	85.5	Confident	82.5	Confident	86 Å²	86	106.8 Å²	106.8	52%	0.521	54%	0.54	S	S	.	.	H	α-helix	trans	-64.5	-42.6	174.1	169.4	0	0	0	0	110.6	A3032 W3038 F3039 V3040	A3032-V3036 WeakPolarHBondContact O-CB 3.3Å; A3032-V3036 VanDerWaalsContact O-CG2 3.27Å; A3032-V3036 WeakPolarHBondContact O-CG2 3.36Å; A3032-V3036 PolarHBondContact O-N 2.84Å; V3036-W3038 VanDerWaalsContact C-N 3.34Å; V3036-W3038 PolarHBondContact O-N 2.85Å; V3036-F3039 CarbonylContact O-C 3.47Å; V3036-F3039 PolarHBondContact O-N 2.83Å; V3036-V3040 HydrophobicContact CG1-CG2 4.33Å; V3036-V3040 WeakPolarHBondContact O-CB 3.31Å; V3036-V3040 VanDerWaalsContact O-CG2 3.3Å; V3036-V3040 WeakPolarHBondContact O-CG2 3.36Å; V3036-V3040 PolarHBondContact O-N 2.9Å
3037	G	83.1	Confident	81.7	Confident	36 Å²	36	104 Å²	104	37%	0.371	53%	0.53	S	S	.	.	H	α-helix	trans	-64.2	-37.9	175.4	0	0	0	0	0	112.3	L3033 L3034 K3041	L3033-G3037 WeakPolarHBondContact O-CA 3.4Å; L3033-G3037 PolarHBondContact O-N 2.89Å; L3034-G3037 PolarHBondContact O-N 3.46Å; G3037-K3041 WeakPolarHBondContact O-CB 3.49Å; G3037-K3041 PolarHBondContact O-N 3.27Å
3038	W	80.8	Confident	80.7	Confident	181 Å²	181	104.5 Å²	104.5	69%	0.686	53%	0.529	S	S	*	.	H	α-helix	trans	-70	-37.2	172.7	-163.5	83.9	0	0	0	111.1	L3034 L3035 V3036 S3042	L3034-W3038 WeakPolarHBondContact O-CB 3.39Å; L3034-W3038 PolarHBondContact O-N 2.67Å; L3035-W3038 PolarHBondContact O-N 2.81Å; V3036-W3038 VanDerWaalsContact C-N 3.34Å; V3036-W3038 PolarHBondContact O-N 2.85Å; W3038-S3042 WeakPolarHBondContact O-CA 3.33Å; W3038-S3042 WeakPolarHBondContact O-CB 3.37Å; W3038-S3042 PolarHBondContact O-N 2.83Å
3039	F	80.8	Confident	79.8	Confident	141 Å²	141	108.6 Å²	108.6	62%	0.618	54%	0.535	S	S	*	.	H	α-helix	trans	-67.6	-44	174.6	-151.4	-88	0	0	0	111.6	L3035 V3036 S3042 R3043	L3035-F3039 VanDerWaalsContact O-CB 3.31Å; L3035-F3039 WeakPolarHBondContact O-CB 3.48Å; L3035-F3039 PolarHBondContact O-N 2.87Å; V3036-F3039 CarbonylContact O-C 3.47Å; V3036-F3039 PolarHBondContact O-N 2.83Å; F3039-S3042 PolarHBondContact O-N 3.45Å; F3039-R3043 VanDerWaalsContact O-CB 3.25Å; F3039-R3043 WeakPolarHBondContact O-CB 3.45Å; F3039-R3043 PolarHBondContact O-N 2.92Å
3040	V	82.4	Confident	78.7	Confident	86 Å²	86	108.5 Å²	108.5	52%	0.521	54%	0.535	S	S	.	.	H	α-helix	trans	-65.9	-44.2	174.3	170	0	0	0	0	110.6	V3036 S3042 R3043 R3044	V3036-V3040 HydrophobicContact CG1-CG2 4.33Å; V3036-V3040 WeakPolarHBondContact O-CB 3.31Å; V3036-V3040 VanDerWaalsContact O-CG2 3.3Å; V3036-V3040 WeakPolarHBondContact O-CG2 3.36Å; V3036-V3040 PolarHBondContact O-N 2.9Å; V3040-S3042 VanDerWaalsContact C-N 3.34Å; V3040-R3043 PolarHBondContact O-N 3.28Å; V3040-R3044 WeakPolarHBondContact O-CB 3.24Å; V3040-R3044 PolarHBondContact O-N 2.66Å
3041	K	81.3	Confident	77.6	Confident	125 Å²	125	111.6 Å²	111.6	54%	0.543	55%	0.547	S	S	.	.	H	α-helix	trans	-67.6	-33.8	175.9	-170.9	172.4	-175.1	173.4	0	112	G3037 R3045	G3037-K3041 WeakPolarHBondContact O-CB 3.49Å; G3037-K3041 PolarHBondContact O-N 3.27Å; K3041-R3045 VanDerWaalsContact O-CB 3.25Å; K3041-R3045 WeakPolarHBondContact O-CB 3.28Å; K3041-R3045 VanDerWaalsContact O-CG 3.26Å; K3041-R3045 WeakPolarHBondContact O-CG 3.28Å; K3041-R3045 PolarHBondContact O-N 3.16Å
3042	S	80.2	Confident	76.3	Confident	61 Å²	61	112 Å²	112	43%	0.427	55%	0.55	S	S	.	.	H	α-helix	trans	-65.8	-50.8	171.6	179.5	0	0	0	0	110.4	W3038 F3039 V3040 R3044 R3045 H3046	W3038-S3042 WeakPolarHBondContact O-CA 3.33Å; W3038-S3042 WeakPolarHBondContact O-CB 3.37Å; W3038-S3042 PolarHBondContact O-N 2.83Å; F3039-S3042 PolarHBondContact O-N 3.45Å; V3040-S3042 VanDerWaalsContact C-N 3.34Å; S3042-R3044 VanDerWaalsContact C-N 3.32Å; S3042-R3044 PolarHBondContact O-N 3.42Å; S3042-R3045 CarbonylContact O-C 3.53Å; S3042-R3045 PolarHBondContact O-N 3.13Å; S3042-H3046 WeakPolarHBondContact O-CB 3.48Å; S3042-H3046 PolarHBondContact O-N 3.32Å
3043	R	75.6	Confident	74.9	Confident	188 Å²	188	114 Å²	114	71%	0.709	56%	0.557	S	S	*	*	H	α-helix	trans	-63.5	-34.9	177.5	-153.2	175.2	-169.1	-170.8	2.7	112.2	F3039 V3040 H3046 S3047	F3039-R3043 VanDerWaalsContact O-CB 3.25Å; F3039-R3043 WeakPolarHBondContact O-CB 3.45Å; F3039-R3043 PolarHBondContact O-N 2.92Å; V3040-R3043 PolarHBondContact O-N 3.28Å; R3043-H3046 PolarHBondContact O-N 3.39Å; R3043-S3047 PolarHBondContact O-N 3.12Å; R3043-S3047 PolarHBondContact O-OG 3.2Å
3044	R	74.7	Confident	73.4	Confident	170 Å²	170	116.7 Å²	116.7	64%	0.642	56%	0.561	S	S	*	*	H	α-helix	trans	-74.8	-35.8	174.4	-158.7	175	-165.2	176.5	4.2	112.4	V3040 S3042 H3046 S3047 Q3048	V3040-R3044 WeakPolarHBondContact O-CB 3.24Å; V3040-R3044 PolarHBondContact O-N 2.66Å; S3042-R3044 VanDerWaalsContact C-N 3.32Å; S3042-R3044 PolarHBondContact O-N 3.42Å; R3044-H3046 VanDerWaalsContact C-N 3.31Å; R3044-S3047 WeakPolarHBondContact CA-OG 2.96Å; R3044-S3047 PolarHBondContact O-OG 3.29Å; R3044-Q3048 VanDerWaalsContact O-CB 3.23Å; R3044-Q3048 WeakPolarHBondContact O-CB 3.49Å; R3044-Q3048 WeakPolarHBondContact O-CG 3Å; R3044-Q3048 PolarHBondContact O-N 3.14Å
3045	R	70.9	Confident	71.9	Confident	154 Å²	154	115.2 Å²	115.2	58%	0.581	55%	0.554	S	S	*	*	H	α-helix	trans	-66.1	-34.5	167	-81	175.5	168.7	-176.6	-4.7	111.5	K3041 S3042 K3049	K3041-R3045 VanDerWaalsContact O-CB 3.25Å; K3041-R3045 WeakPolarHBondContact O-CB 3.28Å; K3041-R3045 VanDerWaalsContact O-CG 3.26Å; K3041-R3045 WeakPolarHBondContact O-CG 3.28Å; K3041-R3045 PolarHBondContact O-N 3.16Å; S3042-R3045 CarbonylContact O-C 3.53Å; S3042-R3045 PolarHBondContact O-N 3.13Å; R3045-K3049 VanDerWaalsContact O-CB 3.27Å; R3045-K3049 WeakPolarHBondContact O-CB 3.47Å; R3045-K3049 VanDerWaalsContact O-CG 3.24Å; R3045-K3049 WeakPolarHBondContact O-CG 3.28Å; R3045-K3049 PolarHBondContact O-N 3.42Å
3046	H	69.7	Low	70.4	Confident	116 Å²	116	118.4 Å²	118.4	54%	0.537	56%	0.558	S	S	.	*	H	α-helix	trans	-72.1	-40.8	176.3	-157.9	-63.9	0	0	0	111.3	S3042 R3043 R3044 K3049 L3050	S3042-H3046 WeakPolarHBondContact O-CB 3.48Å; S3042-H3046 PolarHBondContact O-N 3.32Å; R3043-H3046 PolarHBondContact O-N 3.39Å; R3044-H3046 VanDerWaalsContact C-N 3.31Å; H3046-K3049 PolarHBondContact O-N 3.02Å; H3046-L3050 WeakPolarHBondContact ND1-CD1 3.42Å; H3046-L3050 WeakPolarHBondContact O-CB 3.34Å; H3046-L3050 VanDerWaalsContact O-CG 3.29Å; H3046-L3050 WeakPolarHBondContact O-CG 3.35Å; H3046-L3050 PolarHBondContact O-N 2.84Å
3047	S	71.7	Confident	68.9	Low	53 Å²	53	117 Å²	117	37%	0.371	55%	0.552	S	S	.	*	H	α-helix	trans	-71	-34.7	173.7	68.2	0	0	0	0	112.5	R3043 R3044 L3050 L3051	R3043-S3047 PolarHBondContact O-N 3.12Å; R3043-S3047 PolarHBondContact O-OG 3.2Å; R3044-S3047 WeakPolarHBondContact CA-OG 2.96Å; R3044-S3047 PolarHBondContact O-OG 3.29Å; S3047-L3050 PolarHBondContact O-N 3Å; S3047-L3051 WeakPolarHBondContact O-CB 3.29Å; S3047-L3051 PolarHBondContact O-N 2.79Å
3048	Q	68.4	Low	67.6	Low	114 Å²	114	118 Å²	118	53%	0.533	55%	0.553	S	S	.	*	H	α-helix	trans	-67.7	-36.9	169.8	-76.3	174.4	-32.9	0	0	112.3	R3044 T3052	R3044-Q3048 VanDerWaalsContact O-CB 3.23Å; R3044-Q3048 WeakPolarHBondContact O-CB 3.49Å; R3044-Q3048 WeakPolarHBondContact O-CG 3Å; R3044-Q3048 PolarHBondContact O-N 3.14Å; Q3048-T3052 WeakPolarHBondContact O-CB 3.43Å; Q3048-T3052 WeakPolarHBondContact O-CG2 3.48Å; Q3048-T3052 PolarHBondContact O-N 3.12Å; Q3048-T3052 PolarHBondContact O-OG1 2.8Å
3049	K	67	Low	66.2	Low	148 Å²	148	116.9 Å²	116.9	64%	0.643	55%	0.549	S	S	*	.	H	α-helix	trans	-63.4	-43.3	170.4	-81.4	179.4	176.6	-168.9	0	111.1	R3045 H3046 T3052 T3053	R3045-K3049 VanDerWaalsContact O-CB 3.27Å; R3045-K3049 WeakPolarHBondContact O-CB 3.47Å; R3045-K3049 VanDerWaalsContact O-CG 3.24Å; R3045-K3049 WeakPolarHBondContact O-CG 3.28Å; R3045-K3049 PolarHBondContact O-N 3.42Å; H3046-K3049 PolarHBondContact O-N 3.02Å; K3049-T3052 WeakPolarHBondContact CA-OG1 3.39Å; K3049-T3052 PolarHBondContact O-N 2.96Å; K3049-T3052 PolarHBondContact O-OG1 3.11Å; K3049-T3052 VanDerWaalsContact O-OG1 3.07Å; K3049-T3053 PolarHBondContact O-N 3.28Å; K3049-T3053 PolarHBondContact O-OG1 3.41Å
3050	L	65.2	Low	64.6	Low	99 Å²	99	113.5 Å²	113.5	52%	0.518	54%	0.537	S	S	.	.	H	α-helix	trans	-63.6	-44.5	175	-74.3	165.6	0	0	0	112.4	H3046 S3047 T3053 Y3054	H3046-L3050 WeakPolarHBondContact ND1-CD1 3.42Å; H3046-L3050 WeakPolarHBondContact O-CB 3.34Å; H3046-L3050 VanDerWaalsContact O-CG 3.29Å; H3046-L3050 WeakPolarHBondContact O-CG 3.35Å; H3046-L3050 PolarHBondContact O-N 2.84Å; S3047-L3050 PolarHBondContact O-N 3Å; L3050-T3053 VanDerWaalsContact CA-OG1 3.3Å; L3050-T3053 WeakPolarHBondContact CA-OG1 3.37Å; L3050-T3053 PolarHBondContact O-N 2.96Å; L3050-T3053 PolarHBondContact O-OG1 2.76Å; L3050-Y3054 WeakPolarHBondContact O-CB 3.23Å; L3050-Y3054 PolarHBondContact O-N 2.72Å
3051	L	62.5	Low	63.1	Low	113 Å²	113	116.3 Å²	116.3	59%	0.592	54%	0.544	S	S	*	.	H	α-helix	trans	-65.1	-37	174.5	-109	80.8	0	0	0	112.4	S3047 Y3054 N3055	S3047-L3051 WeakPolarHBondContact O-CB 3.29Å; S3047-L3051 PolarHBondContact O-N 2.79Å; L3051-Y3054 PolarHBondContact O-N 2.86Å; L3051-N3055 WeakPolarHBondContact O-CB 3.35Å; L3051-N3055 PolarHBondContact O-N 3.08Å
3052	T	58.1	Low	61.7	Low	88 Å²	88	117.5 Å²	117.5	54%	0.54	55%	0.552	S	S	.	*	H	α-helix	trans	-74	-30.4	176	47.2	0	0	0	0	112.1	Q3048 K3049 R3056	Q3048-T3052 WeakPolarHBondContact O-CB 3.43Å; Q3048-T3052 WeakPolarHBondContact O-CG2 3.48Å; Q3048-T3052 PolarHBondContact O-N 3.12Å; Q3048-T3052 PolarHBondContact O-OG1 2.8Å; K3049-T3052 WeakPolarHBondContact CA-OG1 3.39Å; K3049-T3052 PolarHBondContact O-N 2.96Å; K3049-T3052 PolarHBondContact O-OG1 3.11Å; K3049-T3052 VanDerWaalsContact O-OG1 3.07Å; T3052-R3056 WeakPolarHBondContact O-CB 3.33Å; T3052-R3056 PolarHBondContact O-N 3.01Å
3053	T	57.1	Low	60.1	Low	85 Å²	85	117.5 Å²	117.5	52%	0.521	55%	0.551	S	S	.	*	H	α-helix	trans	-70.3	-32.9	166.5	46.1	0	0	0	0	112.7	K3049 L3050 S3057	K3049-T3053 PolarHBondContact O-N 3.28Å; K3049-T3053 PolarHBondContact O-OG1 3.41Å; L3050-T3053 VanDerWaalsContact CA-OG1 3.3Å; L3050-T3053 WeakPolarHBondContact CA-OG1 3.37Å; L3050-T3053 PolarHBondContact O-N 2.96Å; L3050-T3053 PolarHBondContact O-OG1 2.76Å; T3053-S3057 WeakPolarHBondContact O-CB 3.32Å; T3053-S3057 PolarHBondContact O-N 2.88Å; T3053-S3057 PolarHBondContact O-OG 2.79Å
3054	Y	56.7	Low	58.5	Low	169 Å²	169	117.1 Å²	117.1	66%	0.663	55%	0.551	S	S	*	*	H	α-helix	trans	-70.3	-45.4	176.5	-166.7	-95.1	0	0	0	111.9	L3050 L3051 R3056 S3057 S3058	L3050-Y3054 WeakPolarHBondContact O-CB 3.23Å; L3050-Y3054 PolarHBondContact O-N 2.72Å; L3051-Y3054 PolarHBondContact O-N 2.86Å; Y3054-R3056 VanDerWaalsContact C-N 3.32Å; Y3054-R3056 PolarHBondContact O-N 2.94Å; Y3054-S3057 WeakPolarHBondContact CA-OG 3.34Å; Y3054-S3057 PolarHBondContact O-N 2.73Å; Y3054-S3057 PolarHBondContact O-OG 2.9Å; Y3054-S3058 PolarHBondContact O-N 2.8Å; Y3054-S3058 VanDerWaalsContact O-N 3.12Å
3055	N	54.4	Low	57	Low	96 Å²	96	113.8 Å²	113.8	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-71.5	-27.2	174.6	-70.6	4.3	0	0	0	112.4	L3051 S3058 W3059	L3051-N3055 WeakPolarHBondContact O-CB 3.35Å; L3051-N3055 PolarHBondContact O-N 3.08Å; N3055-S3058 PolarHBondContact O-OG 2.66Å; N3055-W3059 VanDerWaalsContact O-CB 3.25Å; N3055-W3059 WeakPolarHBondContact O-CB 3.47Å; N3055-W3059 PolarHBondContact O-N 3.26Å; N3055-W3059 VanDerWaalsContact O-N 3.09Å
3056	R	52.3	Low	55.7	Low	178 Å²	178	117.3 Å²	117.3	67%	0.672	57%	0.567	S	S	*	*	H	α-helix	trans	-78.6	-27.5	175	-168.3	172.6	-173.5	175.3	1.2	112.3	T3052 Y3054 L3060	T3052-R3056 WeakPolarHBondContact O-CB 3.33Å; T3052-R3056 PolarHBondContact O-N 3.01Å; Y3054-R3056 VanDerWaalsContact C-N 3.32Å; Y3054-R3056 PolarHBondContact O-N 2.94Å; R3056-L3060 HydrophobicContact CG-CD1 4.04Å; R3056-L3060 HydrophobicContact CG-CG 4.45Å; R3056-L3060 VanDerWaalsContact O-CB 3.25Å; R3056-L3060 WeakPolarHBondContact O-CB 3.34Å; R3056-L3060 WeakPolarHBondContact O-CD1 3.49Å; R3056-L3060 WeakPolarHBondContact O-CG 3.45Å; R3056-L3060 PolarHBondContact O-N 3.35Å
3057	S	53.6	Low	54.2	Low	55 Å²	55	117.9 Å²	117.9	39%	0.385	58%	0.579	S	S	.	*	H	α-helix	trans	-71	-47.6	170	37.2	0	0	0	0	111.2	T3053 Y3054 W3059 L3060 E3061	T3053-S3057 WeakPolarHBondContact O-CB 3.32Å; T3053-S3057 PolarHBondContact O-N 2.88Å; T3053-S3057 PolarHBondContact O-OG 2.79Å; Y3054-S3057 WeakPolarHBondContact CA-OG 3.34Å; Y3054-S3057 PolarHBondContact O-N 2.73Å; Y3054-S3057 PolarHBondContact O-OG 2.9Å; S3057-W3059 VanDerWaalsContact C-N 3.31Å; S3057-W3059 PolarHBondContact O-N 3.04Å; S3057-L3060 PolarHBondContact O-N 3.35Å; S3057-E3061 WeakPolarHBondContact O-CG 3.49Å; S3057-E3061 PolarHBondContact O-N 3.01Å
3058	S	55.2	Low	52.3	Low	57 Å²	57	118.8 Å²	118.8	40%	0.399	60%	0.596	S	S	.	*	H	α-helix	trans	-63.7	-34.1	176.6	67.9	0	0	0	0	113.6	Y3054 N3055 Q3062	Y3054-S3058 PolarHBondContact O-N 2.8Å; Y3054-S3058 VanDerWaalsContact O-N 3.12Å; N3055-S3058 PolarHBondContact O-OG 2.66Å; S3058-Q3062 PolarHBondContact O-N 2.96Å
3059	W	53.2	Low	50.5	Low	159 Å²	159	120.7 Å²	120.7	60%	0.602	61%	0.61	S	S	*	*	H	α-helix	trans	-71.2	-37.8	173.6	-168.6	80.6	0	0	0	112.7	N3055 S3057 Q3062 C3063	N3055-W3059 VanDerWaalsContact O-CB 3.25Å; N3055-W3059 WeakPolarHBondContact O-CB 3.47Å; N3055-W3059 PolarHBondContact O-N 3.26Å; N3055-W3059 VanDerWaalsContact O-N 3.09Å; S3057-W3059 VanDerWaalsContact C-N 3.31Å; S3057-W3059 PolarHBondContact O-N 3.04Å; W3059-Q3062 PolarHBondContact O-N 3.32Å; W3059-C3063 PolarHBondContact O-N 3.3Å
3060	L	47.3	Very low	48.8	Very low	69 Å²	69	120.8 Å²	120.8	36%	0.361	62%	0.618	S	S	.	*	H	α-helix	trans	-70.3	-34.1	175.3	-74	169.5	0	0	0	112.4	R3056 S3057 Q3062 C3063 Y3064	R3056-L3060 HydrophobicContact CG-CD1 4.04Å; R3056-L3060 HydrophobicContact CG-CG 4.45Å; R3056-L3060 VanDerWaalsContact O-CB 3.25Å; R3056-L3060 WeakPolarHBondContact O-CB 3.34Å; R3056-L3060 WeakPolarHBondContact O-CD1 3.49Å; R3056-L3060 WeakPolarHBondContact O-CG 3.45Å; R3056-L3060 PolarHBondContact O-N 3.35Å; S3057-L3060 PolarHBondContact O-N 3.35Å; L3060-Q3062 VanDerWaalsContact C-N 3.31Å; L3060-Q3062 PolarHBondContact O-N 3.29Å; L3060-C3063 PolarHBondContact O-N 3.19Å; L3060-Y3064 HydrophobicContact CD2-CD2 4.18Å; L3060-Y3064 HydrophobicContact CD2-CE2 3.94Å; L3060-Y3064 PolarHBondContact O-N 2.98Å
3061	E	49.4	Very low	47	Very low	145 Å²	145	120 Å²	120	68%	0.678	63%	0.625	S	S	*	*	H	α-helix	trans	-61.1	-38.1	170.5	-76.5	-178.8	160.4	0	0	112	S3057 S3065	S3057-E3061 WeakPolarHBondContact O-CG 3.49Å; S3057-E3061 PolarHBondContact O-N 3.01Å; E3061-S3065 WeakPolarHBondContact O-CB 3.39Å; E3061-S3065 PolarHBondContact O-N 3.04Å; E3061-S3065 PolarHBondContact O-OG 3.32Å
3062	Q	52	Low	45.3	Very low	150 Å²	150	126 Å²	126	70%	0.701	64%	0.64	S	S	*	*	H	α-helix	trans	-71.7	-30.9	173.5	-83.4	-171	-24.8	0	0	113.9	S3058 W3059 L3060	S3058-Q3062 PolarHBondContact O-N 2.96Å; W3059-Q3062 PolarHBondContact O-N 3.32Å; L3060-Q3062 VanDerWaalsContact C-N 3.31Å; L3060-Q3062 PolarHBondContact O-N 3.29Å
3063	C	46.8	Very low	43.8	Very low	61 Å²	61	126.4 Å²	126.4	41%	0.412	65%	0.646	S	S	.	*	H	α-helix	trans	-84.8	-30.5	-178.3	-74.3	0	0	0	0	114.3	W3059 L3060	W3059-C3063 PolarHBondContact O-N 3.3Å; L3060-C3063 PolarHBondContact O-N 3.19Å
3064	Y	42.8	Very low	42.3	Very low	180 Å²	180	127.1 Å²	127.1	71%	0.706	66%	0.655	S	S	*	*	H	α-helix	trans	-93	-13.1	-178.4	-83	-81	0	0	0	115	L3060 R3066	L3060-Y3064 HydrophobicContact CD2-CD2 4.18Å; L3060-Y3064 HydrophobicContact CD2-CE2 3.94Å; L3060-Y3064 PolarHBondContact O-N 2.98Å; Y3064-R3066 PolarHBondContact O-N 3.03Å
3065	S	43.4	Very low	40.9	Very low	101 Å²	101	126 Å²	126	71%	0.706	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	10.5	175.1	50.8	0	0	0	0	114.9	E3061	E3061-S3065 WeakPolarHBondContact O-CB 3.39Å; E3061-S3065 PolarHBondContact O-N 3.04Å; E3061-S3065 PolarHBondContact O-OG 3.32Å
3066	R	43.1	Very low	39.6	Very low	227 Å²	227	128 Å²	128	86%	0.857	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	0.5	179.2	-153.1	-179.9	-81.1	-159.4	-3.5	115.1	Y3064	Y3064-R3066 PolarHBondContact O-N 3.03Å
3067	V	37.1	Very low	38.3	Very low	129 Å²	129	127.2 Å²	127.2	78%	0.782	67%	0.666	S	S	*	*	S	Bend	trans	-144.3	117	175	-174.4	0	0	0	0	111.1
3068	G	33.5	Very low	37.3	Very low	71 Å²	71	131.7 Å²	131.7	73%	0.732	69%	0.686	S	S	*	*			trans	109.1	98.3	162.4	0	0	0	0	0	115.6
3069	N	29.5	Very low	35.9	Very low	154 Å²	154	134.1 Å²	134.1	82%	0.824	70%	0.698	S	S	*	*			trans	-69.3	171.3	150.4	-79	-18.1	0	0	0	110
3070	D	32	Very low	34.8	Very low	151 Å²	151	133.1 Å²	133.1	81%	0.807	70%	0.703	S	S	*	*			trans	88.8	108.8	158.5	-55	-31.5	0	0	0	119.8
3071	A	27.8	Very low	33.8	Very low	82 Å²	82	136.2 Å²	136.2	68%	0.678	72%	0.72	S	S	*	*				78.2	123.7	123	0	0	0	0	0	122.4
3072	W	26.2	Very low	32.7	Very low	239 Å²	239	136 Å²	136	91%	0.905	73%	0.728	S	S	*	*			trans	84.7	100	131.2	-74.6	8.7	0	0	0	121.6
3073	S	26.4	Very low	31.5	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	73%	0.731	S	S	*	*				82.5	144.3	113.5	76.5	0	0	0	0	120.8
3074	S	26.4	Very low	30.6	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	75%	0.753	S	S	*	*			trans	65.9	148.3	164	66.7	0	0	0	0	116.1
3075	Q	26.6	Very low	29.8	Very low	144 Å²	144	134.1 Å²	134.1	67%	0.673	76%	0.757	S	S	*	*			cis	-157.6	160.7	7	-135.7	168.2	-40.7	0	0	111
3076	E	27.3	Very low	29	Very low	140 Å²	140	135.2 Å²	135.2	65%	0.654	76%	0.762	S	S	*	*			trans	45	117.7	149.2	-75.5	146	-152	0	0	121
3077	Q	24.5	Very low	28.3	Very low	161 Å²	161	130 Å²	130	75%	0.752	76%	0.758	S	S	*	*				60.2	112	76.9	-70.5	-172	-24.4	0	0	115.2
3078	N	31.9	Very low	27.6	Very low	148 Å²	148	131.3 Å²	131.3	79%	0.791	76%	0.76	S	S	*	*				172.3	146.8	119.8	-84.9	-39.6	0	0	0	110.2
3079	V	26.9	Very low	27.1	Very low	108 Å²	108	136.6 Å²	136.6	66%	0.655	76%	0.763	S	S	*	*			cis	143.2	140.8	-11.6	152	0	0	0	0	108.2
3080	I	29.5	Very low	26.8	Very low	138 Å²	138	137.6 Å²	137.6	71%	0.708	76%	0.763	S	S	*	*			trans	83.3	108.9	163.8	-76.7	162.3	0	0	0	121.1
3081	N	27.5	Very low	26.3	Very low	134 Å²	134	140.2 Å²	140.2	72%	0.717	76%	0.763	S	S	*	*				45.7	128.5	121.4	-47.5	-16.9	0	0	0	120.3
3082	V	25	Very low	26.2	Very low	141 Å²	141	146.9 Å²	146.9	86%	0.855	77%	0.772	S	S	*	*				56.3	97.9	71.9	-176.4	0	0	0	0	114.2
3083	A	28.3	Very low	26	Very low	93 Å²	93	140.6 Å²	140.6	77%	0.769	77%	0.765	S	S	*	*			trans	-174.5	121.5	138.2	0	0	0	0	0	113.9
3084	N	26.7	Very low	26	Very low	163 Å²	163	140.3 Å²	140.3	87%	0.872	77%	0.768	S	S	*	*			trans	6.8	142.9	148.1	-59.6	-20.8	0	0	0	123.7
3085	A	26	Very low	25.8	Very low	95 Å²	95	141.1 Å²	141.1	79%	0.785	77%	0.769	S	S	*	*			trans	104.5	130.8	138	0	0	0	0	0	118.7
3086	P	27.8	Very low	25.6	Very low	124 Å²	124	140.8 Å²	140.8	81%	0.805	77%	0.77	S	S	*	*			trans	-100.6	157.3	-173.9	38.8	-35.2	0	0	0	114.2
3087	P	26.5	Very low	25.4	Very low	119 Å²	119	141.8 Å²	141.8	77%	0.773	78%	0.775	S	S	*	*			trans	-115.1	120.7	151.1	33.6	-22.7	0	0	0	112.1
3088	N	22.8	Very low	25.4	Very low	155 Å²	155	141.3 Å²	141.3	83%	0.829	78%	0.778	S	S	*	*			trans	34.7	126.4	140.4	-80.7	-39	0	0	0	122.2
3089	K	23.6	Very low	24.9	Very low	183 Å²	183	139.3 Å²	139.3	80%	0.796	78%	0.776	S	S	*	*			trans	94.5	127.2	148	-68.5	176.3	177.9	179.8	0	120
3090	Q	22.5	Very low	24.7	Very low	175 Å²	175	140.3 Å²	140.3	82%	0.818	78%	0.784	S	S	*	*			trans	75.8	72.4	145.3	-68.8	170.7	-47	0	0	119
3091	Y	22.7	Very low	24.5	Very low	206 Å²	206	141.3 Å²	141.3	81%	0.808	79%	0.789	S	S	*	*				-101.1	149.4	124.5	-74.7	-99.6	0	0	0	106.9
3092	Y	25.2	Very low	24.2	Very low	221 Å²	221	142.6 Å²	142.6	87%	0.867	80%	0.795	S	S	*	*			cis	-129.1	139.7	23.4	-78	-97.5	0	0	0	113.9
3093	S	21.9	Very low	24.2	Very low	108 Å²	108	141 Å²	141	76%	0.755	79%	0.79	S	S	*	*			trans	-123.9	120.2	153.9	54.2	0	0	0	0	109
3094	A	25.9	Very low	24.1	Very low	90 Å²	90	146.8 Å²	146.8	74%	0.744	80%	0.798	S	S	*	*			trans	-137.4	118	154.1	0	0	0	0	0	103.4
3095	V	22.9	Very low	23.9	Very low	118 Å²	118	143.9 Å²	143.9	72%	0.715	79%	0.79	S	S	*	*				60.9	120.6	50.8	-167.3	0	0	0	0	109.7
3096	L	23.2	Very low	23.8	Very low	136 Å²	136	149 Å²	149	71%	0.712	79%	0.794	S	S	*	*			cis	-84.2	-145.1	0	-66	85.4	0	0	0	109.3
3097	E	23.1	Very low	23.6	Very low	161 Å²	161	150.2 Å²	150.2	75%	0.752	79%	0.794	S	S	*	*			cis	-158.5	162.3	0.6	-146	136.3	-134.2	0	0	110.8
3098	D	24.5	Very low	23.5	Very low	151 Å²	151	152.3 Å²	152.3	81%	0.807	79%	0.793	S	S	*	*			trans	23.2	119.8	171.3	-65.7	-7.8	0	0	0	124.1
3099	S	20.3	Very low	23.8	Very low	107 Å²	107	152 Å²	152	75%	0.748	80%	0.797	S	S	*	*			trans	-60.6	157.2	168.3	57.5	0	0	0	0	114.9
3100	P	23.1	Very low	23.7	Very low	129 Å²	129	150 Å²	150	84%	0.838	79%	0.794	S	S	*	*				-137.2	169.6	100.7	38.1	-28.1	0	0	0	116.1
3101	I	24.3	Very low	24	Very low	159 Å²	159	148.1 Å²	148.1	82%	0.815	79%	0.79	S	S	*	*			trans	-76.6	159.2	-170.8	-70.4	162.5	0	0	0	113.2	S3103	I3101-S3103 PolarHBondContact O-N 3.32Å
3102	I	21.8	Very low	24	Very low	161 Å²	161	148 Å²	148	83%	0.826	79%	0.794	S	S	*	*			trans	-52.2	119.5	176.2	-61.3	156.3	0	0	0	113.3
3103	S	25.6	Very low	24	Very low	107 Å²	107	147.8 Å²	147.8	75%	0.748	79%	0.793	S	S	*	*			trans	-157	104.8	141.1	64.3	0	0	0	0	111.1	I3101 S3105	I3101-S3103 PolarHBondContact O-N 3.32Å; S3103-S3105 PolarHBondContact O-N 3.24Å
3104	K	25.3	Very low	24.2	Very low	215 Å²	215	150.5 Å²	150.5	94%	0.935	80%	0.799	S	S	*	*			trans	-89.4	102.3	176.3	-78.5	-176.1	176	178.3	0	111.2
3105	S	22.1	Very low	24.3	Very low	101 Å²	101	151.4 Å²	151.4	71%	0.706	80%	0.8	S	S	*	*			trans	-154.6	107.4	161.3	61.4	0	0	0	0	112.2	S3103	S3103-S3105 PolarHBondContact O-N 3.24Å
3106	K	24	Very low	24.3	Very low	204 Å²	204	157.5 Å²	157.5	89%	0.887	81%	0.811	S	S	*	*			trans	165.1	109.8	158	-94.4	162.5	-175.6	-176.4	0	105.9
3107	N	24.4	Very low	24.4	Very low	148 Å²	148	160.2 Å²	160.2	79%	0.791	82%	0.82	S	S	*	*				61.3	110.3	79.3	-79.3	5.5	0	0	0	114.7
3108	H	23.9	Very low	24.6	Very low	163 Å²	163	156 Å²	156	76%	0.755	82%	0.82	S	S	*	*			trans	34	110.6	149.5	-69.6	-84.7	0	0	0	119.8
3109	T	28.7	Very low	24.7	Very low	149 Å²	149	156.9 Å²	156.9	91%	0.914	83%	0.825	S	S	*	*			trans	-122	124.3	132	40.5	0	0	0	0	109.5
3110	L	23.4	Very low	24.9	Very low	141 Å²	141	159.5 Å²	159.5	74%	0.738	83%	0.83	S	S	*	*			trans	-89.9	177	178.5	-150.6	73.1	0	0	0	109.8
3111	N	27.9	Very low	25	Very low	136 Å²	136	159.2 Å²	159.2	73%	0.727	82%	0.821	S	S	*	*			trans	87.6	71.2	163.6	-56.1	-7.5	0	0	0	117.3
3112	K	23	Very low	25.1	Very low	203 Å²	203	159 Å²	159	88%	0.883	82%	0.817	S	S	*	*			trans	-64.6	115.4	138.2	-69	173.8	173.9	179.6	0	109.3
3113	Y	25	Very low	25.3	Very low	216 Å²	216	157.4 Å²	157.4	85%	0.847	81%	0.81	S	S	*	*			trans	-161.5	117.1	147	-90.6	-72.1	0	0	0	107.2
3114	N	25.6	Very low	25.2	Very low	165 Å²	165	160.9 Å²	160.9	88%	0.882	82%	0.819	S	S	*	*			trans	140	92.2	164.3	-75.5	-15.6	0	0	0	112.6
3115	S	27.9	Very low	25.2	Very low	109 Å²	109	156.9 Å²	156.9	76%	0.762	81%	0.813	S	S	*	*			trans	173.7	97.3	138	60.4	0	0	0	0	109.9
3116	Y	24.3	Very low	25.2	Very low	246 Å²	246	156.7 Å²	156.7	97%	0.965	81%	0.812	S	S	*	*			trans	-122.7	43.3	167.9	-99.7	-70.9	0	0	0	110.7
3117	E	24.4	Very low	25	Very low	193 Å²	193	157.5 Å²	157.5	90%	0.902	81%	0.809	S	S	*	*			trans	-136.1	139.5	167.8	-71.4	-168.6	156.1	0	0	109.4
3118	G	27.7	Very low	25.1	Very low	73 Å²	73	161.1 Å²	161.1	75%	0.753	81%	0.813	S	S	*	*			trans	110.6	61	177.8	0	0	0	0	0	115
3119	N	27.1	Very low	25	Very low	169 Å²	169	163.1 Å²	163.1	90%	0.904	82%	0.816	S	S	*	*			trans	-151.7	42.8	160	-110.1	-10.8	0	0	0	112.4
3120	L	22.9	Very low	24.8	Very low	163 Å²	163	161.6 Å²	161.6	85%	0.853	81%	0.811	S	S	*	*			trans	-135	97.9	163.7	-73.7	173.7	0	0	0	107.4
3121	N	25.8	Very low	24.7	Very low	123 Å²	123	165.1 Å²	165.1	66%	0.658	82%	0.815	S	S	*	*			trans	178.2	126	136.9	-89.4	-0.3	0	0	0	110.5
3122	E	25.9	Very low	24.6	Very low	153 Å²	153	166.9 Å²	166.9	72%	0.715	82%	0.824	S	S	*	*			trans	49.5	115.7	138.4	-52.6	179.7	167.7	0	0	118.2
3123	N	27.1	Very low	24.7	Very low	129 Å²	129	161.9 Å²	161.9	69%	0.69	82%	0.821	S	S	*	*				-164.2	132.4	57.3	-101.4	-61.6	0	0	0	113.3	T3125	N3123-T3125 PolarHBondContact O-N 3Å
3124	L	22.2	Very low	24.6	Very low	179 Å²	179	155 Å²	155	94%	0.937	82%	0.815	S	S	*	*			trans	-76	106	155.4	-79.2	125	0	0	0	108.8
3125	T	25.7	Very low	24.6	Very low	131 Å²	131	159.4 Å²	159.4	80%	0.804	82%	0.819	S	S	*	*			trans	-127.4	141.5	155.8	47.3	0	0	0	0	110.7	N3123	N3123-T3125 PolarHBondContact O-N 3Å
3126	S	22.1	Very low	24.4	Very low	97 Å²	97	166.1 Å²	166.1	68%	0.678	83%	0.828	S	S	*	*			trans	-92.5	154.5	-159.2	68.8	0	0	0	0	113.7
3127	R	20.6	Very low	24.4	Very low	221 Å²	221	160.7 Å²	160.7	83%	0.834	83%	0.825	S	S	*	*			trans	63.4	116.8	157.4	-59.2	168.4	-179.1	179.5	0.9	116.1
3128	Y	25.4	Very low	24.3	Very low	224 Å²	224	161.5 Å²	161.5	88%	0.878	83%	0.825	S	S	*	*				-161.5	152.5	89.9	-112.6	-82.5	0	0	0	111.7
3129	Y	22	Very low	24.2	Very low	206 Å²	206	167.3 Å²	167.3	81%	0.808	83%	0.832	S	S	*	*			trans	-71.8	140.7	-179.5	-83.4	-104.9	0	0	0	112.4
3130	S	25.4	Very low	24	Very low	116 Å²	116	171.5 Å²	171.5	81%	0.811	84%	0.836	S	S	*	*			trans	-147.9	117	136.5	-171.1	0	0	0	0	110.9
3131	R	21.2	Very low	24.2	Very low	216 Å²	216	168 Å²	168	82%	0.815	83%	0.83	S	S	*	*			trans	-79.2	131	166	-71.6	172.4	170.3	164.5	-4.4	107.7
3132	N	26.1	Very low	24.2	Very low	173 Å²	173	168.1 Å²	168.1	93%	0.925	84%	0.841	S	S	*	*			trans	-152.6	146.3	136.6	-109.9	-29.6	0	0	0	112.4
3133	A	24.9	Very low	24.2	Very low	98 Å²	98	170 Å²	170	81%	0.81	85%	0.847	S	S	*	*			trans	-97.3	153	-161	0	0	0	0	0	113.7
3134	G	22.4	Very low	24.2	Very low	71 Å²	71	172.2 Å²	172.2	73%	0.732	85%	0.853	S	S	*	*			trans	73.7	98.5	139.1	0	0	0	0	0	118.6
3135	R	26.4	Very low	24.4	Very low	257 Å²	257	172.4 Å²	172.4	97%	0.97	85%	0.848	S	S	*	*				-157.1	118.2	118.3	-107.3	164.6	-164.9	-152.3	2.9	111.1
3136	R	22.2	Very low	24.2	Very low	251 Å²	251	173.4 Å²	173.4	95%	0.947	85%	0.849	S	S	*	*			trans	-79.3	119.4	174.2	-70	173.9	172.1	170.4	-3.8	109.3
3137	C	25	Very low	24.3	Very low	132 Å²	132	175.4 Å²	175.4	89%	0.892	86%	0.856	S	S	*	*			trans	-140.4	139.4	154.2	-94.8	0	0	0	0	109.4
3138	K	22.6	Very low	24.4	Very low	209 Å²	209	173 Å²	173	91%	0.909	86%	0.856	S	S	*	*			trans	-84.8	130.4	-166.5	-62.8	169.8	177.1	175	0	111
3139	Q	25.2	Very low	24.3	Very low	195 Å²	195	167.5 Å²	167.5	91%	0.911	85%	0.851	S	S	*	*			trans	-133.3	146.6	150.6	-80.3	-167	-18.9	0	0	110.4
3140	R	22.3	Very low	24.5	Very low	257 Å²	257	166.6 Å²	166.6	97%	0.97	85%	0.854	S	S	*	*			trans	-71.9	128.1	-175.4	-77.3	169.6	158.7	149.3	-9.6	110.7
3141	A	27.8	Very low	24.3	Very low	90 Å²	90	169.1 Å²	169.1	74%	0.744	85%	0.85	S	S	*	*			trans	-130.7	119.7	154.4	0	0	0	0	0	107.6	K3143	A3141-K3143 PolarHBondContact O-N 3.33Å
3142	S	26.5	Very low	24.5	Very low	125 Å²	125	163.9 Å²	163.9	87%	0.874	85%	0.853	S	S	*	*			trans	-70.6	115.3	179.2	47.3	0	0	0	0	110.2
3143	K	25.6	Very low	24.4	Very low	193 Å²	193	162.1 Å²	162.1	84%	0.839	84%	0.839	S	S	*	*			trans	-110	152.8	168	-84.1	-167.7	171.3	-169.8	0	110.9	A3141	A3141-K3143 PolarHBondContact O-N 3.33Å
3144	H	27.1	Very low	24.5	Very low	176 Å²	176	167 Å²	167	82%	0.815	84%	0.842	S	S	*	*			trans	-47.9	148.3	-179.3	-67.4	-97.9	0	0	0	112.9	D3146	H3144-D3146 PolarHBondContact O-N 3.28Å
3145	H	25	Very low	24.7	Very low	183 Å²	183	171.3 Å²	171.3	85%	0.847	85%	0.848	S	S	*	*			trans	-70.8	107.3	162.2	-80.4	-10	0	0	0	109.1	V3147	H3145-V3147 PolarHBondContact O-N 3.19Å
3146	D	22.9	Very low	24.7	Very low	152 Å²	152	166.6 Å²	166.6	81%	0.813	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-57.7	117	149.3	-63.5	-48.3	0	0	0	107.1	H3144 M3148	H3144-D3146 PolarHBondContact O-N 3.28Å; D3146-M3148 PolarHBondContact O-N 3.34Å
3147	V	24.7	Very low	24.8	Very low	139 Å²	139	161.9 Å²	161.9	84%	0.842	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-63.5	119.8	168	172.4	0	0	0	0	106.5	H3145 S3149	H3145-V3147 PolarHBondContact O-N 3.19Å; V3147-S3149 PolarHBondContact O-N 3.47Å; V3147-S3149 VanDerWaalsContact O-N 3.09Å
3148	M	21.6	Very low	24.9	Very low	169 Å²	169	159.1 Å²	159.1	83%	0.833	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-59.2	117.1	-177.2	-69.7	-166.8	178.2	0	0	110.5	D3146 H3150	D3146-M3148 PolarHBondContact O-N 3.34Å; M3148-H3150 PolarHBondContact O-N 2.61Å
3149	S	23.2	Very low	25.2	Very low	109 Å²	109	156 Å²	156	76%	0.762	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-58.9	125.3	148.3	46.8	0	0	0	0	107.4	V3147 K3151	V3147-S3149 PolarHBondContact O-N 3.47Å; V3147-S3149 VanDerWaalsContact O-N 3.09Å; S3149-K3151 PolarHBondContact O-N 3.24Å; S3149-K3151 VanDerWaalsContact O-N 3.17Å
3150	H	25.5	Very low	25.1	Very low	187 Å²	187	150.3 Å²	150.3	87%	0.866	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-60.3	123.2	175.2	-95.1	-90.8	0	0	0	109.1	M3148 A3152	M3148-H3150 PolarHBondContact O-N 2.61Å; H3150-A3152 PolarHBondContact O-N 3.03Å
3151	K	22.2	Very low	25.2	Very low	170 Å²	170	146.4 Å²	146.4	74%	0.739	80%	0.804	S	S	*	*			trans	-58.3	108.1	173.4	-75.3	-175.2	168.7	-136.9	0	110.5	S3149 E3153	S3149-K3151 PolarHBondContact O-N 3.24Å; S3149-K3151 VanDerWaalsContact O-N 3.17Å; K3151-E3153 VanDerWaalsContact C-N 3.25Å; K3151-E3153 WeakPolarHBondContact CE-OE2 3.39Å; K3151-E3153 IonicContact NZ-OE2 2.8Å; K3151-E3153 PolarHBondContact NZ-OE2 3.07Å
3152	A	25.2	Very low	25	Very low	106 Å²	106	149.6 Å²	149.6	88%	0.876	81%	0.809	S	S	*	*			trans	-93.2	56.7	150.3	0	0	0	0	0	109.2	H3150	H3150-A3152 PolarHBondContact O-N 3.03Å
3153	E	24.5	Very low	24.7	Very low	135 Å²	135	152.7 Å²	152.7	63%	0.631	81%	0.807	S	S	*	*			trans	-98	129.9	166.9	-75.7	-176.2	131.9	0	0	108.7	K3151	K3151-E3153 VanDerWaalsContact C-N 3.25Å; K3151-E3153 WeakPolarHBondContact CE-OE2 3.39Å; K3151-E3153 IonicContact NZ-OE2 2.8Å; K3151-E3153 PolarHBondContact NZ-OE2 3.07Å
3154	K	26.6	Very low	24.7	Very low	201 Å²	201	149 Å²	149	87%	0.874	80%	0.8	S	S	*	*	S	Bend	trans	80.6	58.7	178.3	-53.5	-174.4	176	-174.5	0	117.5
3155	L	26	Very low	24.4	Very low	162 Å²	162	149.9 Å²	149.9	85%	0.848	80%	0.804	S	S	*	*	S	Bend		-151.2	141.8	129.3	-103.6	142.1	0	0	0	107.8
3156	L	26.2	Very low	24.5	Very low	158 Å²	158	148.6 Å²	148.6	83%	0.827	80%	0.804	S	S	*	*			trans	71.4	82.2	-172.7	-49.9	178.5	0	0	0	115.2
3157	V	25.8	Very low	24.6	Very low	151 Å²	151	145.2 Å²	145.2	92%	0.915	80%	0.797	S	S	*	*			trans	-81.2	146.8	144	171.8	0	0	0	0	106.8
3158	A	27.3	Very low	24.7	Very low	75 Å²	75	145.8 Å²	145.8	62%	0.62	80%	0.795	S	S	*	*			trans	76.2	122.4	-159.7	0	0	0	0	0	111.9
3159	D	28	Very low	24.9	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	79%	0.792	S	S	*	*			cis	-117.9	155.3	14.6	-67.5	-52.9	0	0	0	114.2	F3161	D3159-F3161 HydrophobicContact CB-CE2 4.44Å
3160	G	24	Very low	25	Very low	77 Å²	77	146.3 Å²	146.3	79%	0.794	80%	0.796	S	S	*	*			trans	-84.7	128.4	-179.8	0	0	0	0	0	113
3161	F	23.9	Very low	25	Very low	175 Å²	175	142.8 Å²	142.8	77%	0.768	79%	0.792	S	S	*	*			trans	-128.9	90.6	168.6	-78.7	-85.4	0	0	0	109.8	D3159	D3159-F3161 HydrophobicContact CB-CE2 4.44Å
3162	D	22.2	Very low	25	Very low	157 Å²	157	141.9 Å²	141.9	84%	0.84	80%	0.801	S	S	*	*			trans	-78.5	116.4	169.5	-91.8	-37.2	0	0	0	110	T3164	D3162-T3164 PolarHBondContact O-N 3.11Å
3163	F	22.1	Very low	24.8	Very low	190 Å²	190	146.1 Å²	146.1	83%	0.833	80%	0.799	S	S	*	*			trans	-87.4	77.1	169.2	-78.1	-85.4	0	0	0	110.6	H3165	F3163-H3165 PolarHBondContact O-N 2.83Å
3164	T	24.5	Very low	24.7	Very low	115 Å²	115	148.2 Å²	148.2	71%	0.706	81%	0.811	S	S	*	*			trans	-82.4	108.9	163.8	52.5	0	0	0	0	109.9	D3162 N3166	D3162-T3164 PolarHBondContact O-N 3.11Å; T3164-N3166 PolarHBondContact O-N 3.11Å; T3164-N3166 VanDerWaalsContact O-N 3.15Å
3165	H	21.2	Very low	24.4	Very low	194 Å²	194	143.9 Å²	143.9	90%	0.898	81%	0.807	S	S	*	*			trans	-60.4	113.6	162.6	-85.1	-84.6	0	0	0	109.5	F3163	F3163-H3165 PolarHBondContact O-N 2.83Å
3166	N	26.6	Very low	24.3	Very low	156 Å²	156	143.5 Å²	143.5	83%	0.834	80%	0.804	S	S	*	*			trans	-126.9	145.4	157.1	-94.1	-18.4	0	0	0	108.8	T3164	T3164-N3166 PolarHBondContact O-N 3.11Å; T3164-N3166 VanDerWaalsContact O-N 3.15Å
3167	A	25.2	Very low	24.1	Very low	82 Å²	82	144.1 Å²	144.1	68%	0.678	81%	0.807	S	S	*	*			trans	-74.6	173.6	174.5	0	0	0	0	0	111.5
3168	D	26.3	Very low	23.8	Very low	150 Å²	150	148.1 Å²	148.1	80%	0.802	81%	0.805	S	S	*	*			trans	87.8	114.8	167.6	-51.6	-25.8	0	0	0	117.6
3169	S	27.4	Very low	23.7	Very low	109 Å²	109	152.5 Å²	152.5	76%	0.762	82%	0.818	S	S	*	*			trans	68.2	118.4	149.8	59	0	0	0	0	121.8
3170	E	24.8	Very low	23.4	Very low	180 Å²	180	150.4 Å²	150.4	84%	0.841	82%	0.815	S	S	*	*			trans	50.7	108.7	134.6	-59.3	-170.1	159.7	0	0	122.5
3171	S	24.8	Very low	23.5	Very low	114 Å²	114	156.4 Å²	156.4	80%	0.797	82%	0.82	S	S	*	*			trans	64.1	89.5	146.6	71.2	0	0	0	0	119.3
3172	V	22.7	Very low	23.4	Very low	150 Å²	150	153.3 Å²	153.3	91%	0.909	82%	0.82	S	S	*	*			trans	-94.8	113.9	164.4	-179.3	0	0	0	0	110.4
3173	K	20.2	Very low	23.4	Very low	196 Å²	196	153.3 Å²	153.3	85%	0.852	82%	0.82	S	S	*	*			trans	-71.2	126.5	173.4	-75	173	175.9	167.6	0	110.9
3174	M	22.6	Very low	23.5	Very low	178 Å²	178	149.8 Å²	149.8	88%	0.877	82%	0.818	S	S	*	*			trans	-86.9	105.5	167.1	-158.7	74.9	171.7	0	0	109.3
3175	S	20.8	Very low	23.3	Very low	111 Å²	111	152 Å²	152	78%	0.776	83%	0.825	S	S	*	*			trans	-98.7	120.6	177.5	46.8	0	0	0	0	111.7
3176	I	23.5	Very low	23.4	Very low	154 Å²	154	148.7 Å²	148.7	79%	0.79	82%	0.819	S	S	*	*			trans	-120.2	146.9	166.2	-64.9	177.3	0	0	0	108.1
3177	L	22.2	Very low	23.3	Very low	170 Å²	170	148.4 Å²	148.4	89%	0.89	82%	0.817	S	S	*	*			trans	-60.9	143.1	-163.1	-103.2	79.1	0	0	0	114.7
3178	R	20.5	Very low	23	Very low	235 Å²	235	156.8 Å²	156.8	89%	0.887	83%	0.832	S	S	*	*			trans	-64.2	134.8	166.7	-65	171.6	174.9	162.9	-3.5	110.7
3179	N	23.9	Very low	22.8	Very low	167 Å²	167	157.5 Å²	157.5	89%	0.893	84%	0.835	S	S	*	*			trans	-116.3	139.9	133.1	-99.7	-23.4	0	0	0	107.9
3180	S	21.2	Very low	22.5	Very low	98 Å²	98	157.9 Å²	157.9	69%	0.685	84%	0.838	S	S	*	*			trans	-79.6	133.8	-164	51	0	0	0	0	113.9
3181	F	26.2	Very low	22.5	Very low	204 Å²	204	154.8 Å²	154.8	90%	0.895	84%	0.836	S	S	*	*			trans	-151.9	124.6	133	-96.4	-69.8	0	0	0	111.7
3182	S	23.5	Very low	22.5	Very low	110 Å²	110	154.4 Å²	154.4	77%	0.769	83%	0.833	S	S	*	*			trans	26	114.6	161.1	53.5	0	0	0	0	122.3
3183	N	21.3	Very low	22.7	Very low	157 Å²	157	156.2 Å²	156.2	84%	0.84	83%	0.832	S	S	*	*			trans	-23.4	133.6	154.2	-55.7	-18.2	0	0	0	118.6
3184	S	24.8	Very low	22.8	Very low	115 Å²	115	153.6 Å²	153.6	80%	0.804	83%	0.832	S	S	*	*				-157	112.1	116.6	58.9	0	0	0	0	109.5
3185	L	19.1	Very low	23	Very low	163 Å²	163	150.6 Å²	150.6	85%	0.853	83%	0.829	S	S	*	*			trans	-80.7	130.1	163.5	-81	81	0	0	0	108.7
3186	T	23.9	Very low	23.2	Very low	123 Å²	123	148.5 Å²	148.5	76%	0.755	83%	0.825	S	S	*	*			trans	-167.2	146.9	131.5	23.2	0	0	0	0	109.9
3187	D	23.8	Very low	23.2	Very low	151 Å²	151	151.8 Å²	151.8	81%	0.807	83%	0.829	S	S	*	*			trans	65.3	107.6	158.4	-51.3	-22.1	0	0	0	119.5
3188	W	19.1	Very low	23.1	Very low	258 Å²	258	153 Å²	153	98%	0.977	83%	0.831	S	S	*	*			trans	-65.6	132	152.3	-69.3	-10.8	0	0	0	109.4
3189	D	23.1	Very low	23.3	Very low	165 Å²	165	150.4 Å²	150.4	88%	0.882	83%	0.828	S	S	*	*			trans	-140.1	133.3	145.2	-117.4	-29.9	0	0	0	109.8
3190	S	20.7	Very low	23.2	Very low	116 Å²	116	150.3 Å²	150.3	81%	0.811	83%	0.825	S	S	*	*			trans	-106.7	96.3	-171.1	56	0	0	0	0	111
3191	S	25.4	Very low	23.2	Very low	116 Å²	116	153.3 Å²	153.3	81%	0.811	83%	0.828	S	S	*	*			trans	-110.4	95.3	164.2	49.2	0	0	0	0	110.1	E3193	S3191-E3193 PolarHBondContact O-N 3.38Å
3192	S	24.1	Very low	23.1	Very low	105 Å²	105	148.7 Å²	148.7	73%	0.734	82%	0.819	S	S	*	*			trans	-87.2	88.4	-179.5	55.7	0	0	0	0	111.9	T3194	S3192-T3194 PolarHBondContact O-N 3.01Å
3193	E	26.7	Very low	23.1	Very low	189 Å²	189	148 Å²	148	88%	0.883	81%	0.811	S	S	*	*			trans	-86.3	86.4	161.4	-74	-163.4	153.8	0	0	110.4	S3191 S3195	S3191-E3193 PolarHBondContact O-N 3.38Å; E3193-S3195 PolarHBondContact O-N 2.86Å; E3193-S3195 VanDerWaalsContact O-N 3.14Å
3194	T	23.4	Very low	23.2	Very low	140 Å²	140	149.8 Å²	149.8	86%	0.859	81%	0.811	S	S	*	*			trans	-83.9	83.6	176.5	53	0	0	0	0	111.7	S3192	S3192-T3194 PolarHBondContact O-N 3.01Å
3195	S	26.6	Very low	23.1	Very low	115 Å²	115	154.1 Å²	154.1	80%	0.804	81%	0.811	S	S	*	*			trans	-106.5	128.5	155.5	68.2	0	0	0	0	109.5	E3193	E3193-S3195 PolarHBondContact O-N 2.86Å; E3193-S3195 VanDerWaalsContact O-N 3.14Å
3196	G	23.5	Very low	23.4	Very low	68 Å²	68	152.3 Å²	152.3	70%	0.701	81%	0.806	S	S	*	*			trans	-86.1	128	-153.9	0	0	0	0	0	116.7
3197	Y	23.3	Very low	23.5	Very low	223 Å²	223	151.5 Å²	151.5	88%	0.875	80%	0.801	S	S	*	*			trans	56.6	85.9	148.6	-68.9	-85.6	0	0	0	118.7
3198	Q	21.7	Very low	23.5	Very low	196 Å²	196	152 Å²	152	92%	0.916	80%	0.799	S	S	*	*			trans	-103.7	114.3	141.9	-69.5	-172.8	-5.7	0	0	109.1	M3200	Q3198-M3200 PolarHBondContact O-N 2.89Å
3199	Q	23.4	Very low	23.8	Very low	180 Å²	180	146.6 Å²	146.6	84%	0.841	79%	0.789	S	S	*	*			trans	-73.1	114.9	171.4	-103.7	176.8	-48.2	0	0	109.4	E3201	Q3199-E3201 PolarHBondContact O-N 3.07Å
3200	M	22.2	Very low	23.9	Very low	165 Å²	165	146.6 Å²	146.6	81%	0.813	78%	0.784	S	S	*	*			trans	-92.8	93.1	179.2	-166.7	175.8	83.1	0	0	110.5	Q3198	Q3198-M3200 PolarHBondContact O-N 2.89Å
3201	E	21.5	Very low	24.2	Very low	161 Å²	161	149 Å²	149	75%	0.752	78%	0.782	S	S	*	*			trans	-92.8	106	168.1	-75.3	-167.9	148.4	0	0	110.6	Q3199 T3203	Q3199-E3201 PolarHBondContact O-N 3.07Å; E3201-T3203 VanDerWaalsContact C-N 3.29Å; E3201-T3203 PolarHBondContact O-N 3.13Å
3202	C	23	Very low	24.4	Very low	106 Å²	106	151.9 Å²	151.9	72%	0.716	78%	0.783	S	S	*	*			trans	-75.4	76.3	173.6	-62.4	0	0	0	0	111.4	K3204	C3202-K3204 PolarHBondContact O-N 3.3Å
3203	T	24.3	Very low	24.4	Very low	97 Å²	97	158 Å²	158	60%	0.595	79%	0.79	S	S	*	*			trans	-70.5	110.6	173.3	55.7	0	0	0	0	110.7	E3201 Y3205	E3201-T3203 VanDerWaalsContact C-N 3.29Å; E3201-T3203 PolarHBondContact O-N 3.13Å; T3203-Y3205 PolarHBondContact O-N 2.97Å; T3203-Y3205 VanDerWaalsContact O-N 3.13Å
3204	K	23.1	Very low	24.6	Very low	194 Å²	194	156.9 Å²	156.9	84%	0.843	79%	0.79	S	S	*	*			trans	-63.3	108.7	173.3	-74.6	-180	174.7	178.6	0	110.7	C3202 V3206	C3202-K3204 PolarHBondContact O-N 3.3Å; K3204-V3206 PolarHBondContact O-N 3.18Å
3205	Y	24.2	Very low	24.8	Very low	206 Å²	206	157 Å²	157	81%	0.808	79%	0.785	S	S	*	*			trans	-78.5	107.9	159	-80.2	-86.9	0	0	0	108.9	T3203 V3207	T3203-Y3205 PolarHBondContact O-N 2.97Å; T3203-Y3205 VanDerWaalsContact O-N 3.13Å; Y3205-V3207 PolarHBondContact O-N 3.33Å
3206	V	24.1	Very low	24.9	Very low	124 Å²	124	158.2 Å²	158.2	75%	0.752	78%	0.783	S	S	*	*			trans	-78.8	101.4	167.6	179.3	0	0	0	0	107	K3204 E3208	K3204-V3206 PolarHBondContact O-N 3.18Å; V3206-E3208 HydrophobicContact CG1-CG 4.36Å
3207	V	26.7	Very low	25.2	Very low	106 Å²	106	161.5 Å²	161.5	64%	0.642	78%	0.784	S	S	*	*			trans	-90.5	111.9	169.2	-178.9	0	0	0	0	107.6	Y3205 N3209	Y3205-V3207 PolarHBondContact O-N 3.33Å; V3207-N3209 VanDerWaalsContact C-N 3.32Å; V3207-N3209 PolarHBondContact O-N 3.14Å
3208	E	22.9	Very low	25.5	Very low	161 Å²	161	158 Å²	158	75%	0.752	78%	0.781	S	S	*	*			trans	-74.7	81.8	178.3	-66.6	-175.6	145.6	0	0	110.8	V3206 H3210	V3206-E3208 HydrophobicContact CG1-CG 4.36Å; E3208-H3210 PolarHBondContact O-N 3.24Å
3209	N	26.7	Very low	25.9	Very low	146 Å²	146	155.9 Å²	155.9	78%	0.781	78%	0.775	S	S	*	*			trans	-71.1	96.2	171.4	-81.3	-4.1	0	0	0	110.5	V3207	V3207-N3209 VanDerWaalsContact C-N 3.32Å; V3207-N3209 PolarHBondContact O-N 3.14Å
3210	H	24.8	Very low	26.1	Very low	165 Å²	165	155.3 Å²	155.3	76%	0.764	78%	0.778	S	S	*	*			trans	-73.6	132	164.7	-89.5	-65.6	0	0	0	110.9	E3208	E3208-H3210 PolarHBondContact O-N 3.24Å
3211	Q	26.2	Very low	26.4	Very low	167 Å²	167	152.9 Å²	152.9	78%	0.78	77%	0.768	S	S	*	*			trans	71.9	137.9	175.8	-46.7	-176.4	21.7	0	0	112.8
3212	Q	30	Very low	26.7	Very low	176 Å²	176	151 Å²	151	82%	0.822	77%	0.773	S	S	*	*			cis	-144.5	162	14.4	-127.3	164.2	39.4	0	0	110.8
3213	R	24.3	Very low	26.8	Very low	233 Å²	233	155.1 Å²	155.1	88%	0.879	77%	0.773	S	S	*	*			trans	-66.2	131.3	179.3	-71.6	170	168.3	161	-6.2	111.9
3214	N	30.1	Very low	26.8	Very low	166 Å²	166	156.4 Å²	156.4	89%	0.888	79%	0.785	S	S	*	*			trans	-155.1	137.6	134.4	-107	-22.3	0	0	0	111.8
3215	N	27.6	Very low	26.9	Very low	142 Å²	142	153.5 Å²	153.5	76%	0.759	78%	0.775	S	S	*	*			trans	-85	130.6	179.3	-64.3	-26.6	0	0	0	110.2
3216	N	29.8	Very low	26.9	Very low	141 Å²	141	154.9 Å²	154.9	75%	0.754	78%	0.78	S	S	*	*				169.1	136.3	113.9	-85.7	-20.4	0	0	0	113
3217	N	30.2	Very low	27	Very low	136 Å²	136	159 Å²	159	73%	0.727	78%	0.783	S	S	*	*			trans	60.5	111.8	150.9	-61.4	-10.5	0	0	0	120.8
3218	N	28	Very low	26.9	Very low	151 Å²	151	156.7 Å²	156.7	81%	0.807	78%	0.782	S	S	*	*				29.2	108.9	129.2	-59.5	-5.9	0	0	0	118.2
3219	D	31.8	Very low	27	Very low	151 Å²	151	157.6 Å²	157.6	81%	0.807	79%	0.792	S	S	*	*				-151.4	123.1	125.8	-109.8	-27.3	0	0	0	112	N3221	D3219-N3221 PolarHBondContact O-N 3.32Å
3220	N	26.1	Very low	27	Very low	168 Å²	168	155.6 Å²	155.6	90%	0.898	79%	0.789	S	S	*	*			trans	-79.9	103.9	174.3	-80.1	-35.2	0	0	0	109.2
3221	N	29.2	Very low	27	Very low	113 Å²	113	156.5 Å²	156.5	60%	0.604	79%	0.793	S	S	*	*			trans	-141.2	81.6	169.2	-97	-56.7	0	0	0	112.1	D3219 R3223	D3219-N3221 PolarHBondContact O-N 3.32Å; N3221-R3223 PolarHBondContact O-N 2.73Å
3222	S	27.4	Very low	26.9	Very low	121 Å²	121	157.8 Å²	157.8	85%	0.846	80%	0.802	S	S	*	*			trans	-71	72.9	164.7	55.6	0	0	0	0	110.7	C3224	S3222-C3224 PolarHBondContact O-N 3.33Å
3223	R	25	Very low	26.7	Very low	193 Å²	193	157.7 Å²	157.7	73%	0.728	80%	0.801	S	S	*	*			trans	-82.1	98.5	172.5	-77.6	-173.7	173.4	-174.7	-2.6	110.2	N3221 Q3225	N3221-R3223 PolarHBondContact O-N 2.73Å; R3223-Q3225 HydrophobicContact CB-CG 4.48Å; R3223-Q3225 PolarHBondContact O-N 3.13Å; R3223-Q3225 VanDerWaalsContact O-N 3.13Å
3224	C	24.6	Very low	26.8	Very low	124 Å²	124	156.2 Å²	156.2	84%	0.838	80%	0.802	S	S	*	*			trans	-70	100.5	162	-63.4	0	0	0	0	108.3	S3222	S3222-C3224 PolarHBondContact O-N 3.33Å
3225	Q	25.2	Very low	26.6	Very low	134 Å²	134	157 Å²	157	63%	0.626	81%	0.805	S	S	*	*			trans	-90.8	128.1	173.7	-73.2	-173	-55.6	0	0	110.6	R3223 Y3227	R3223-Q3225 HydrophobicContact CB-CG 4.48Å; R3223-Q3225 PolarHBondContact O-N 3.13Å; R3223-Q3225 VanDerWaalsContact O-N 3.13Å; Q3225-Y3227 PolarHBondContact O-N 3.19Å
3226	Y	24.3	Very low	26.5	Very low	235 Å²	235	154.9 Å²	154.9	92%	0.922	80%	0.801	S	S	*	*			trans	-71	111.7	174	-82.1	-103.1	0	0	0	109.9	G3228	Y3226-G3228 PolarHBondContact O-N 3.17Å
3227	Y	26.9	Very low	26.3	Very low	209 Å²	209	152.8 Å²	152.8	82%	0.82	80%	0.797	S	S	*	*			trans	-84.1	86.2	167.7	-74.1	-81.3	0	0	0	110	Q3225	Q3225-Y3227 PolarHBondContact O-N 3.19Å
3228	G	24.9	Very low	26	Very low	59 Å²	59	153.8 Å²	153.8	61%	0.608	80%	0.803	S	S	*	*			trans	-71.6	146.3	160.2	0	0	0	0	0	110.4	Y3226 S3230	Y3226-G3228 PolarHBondContact O-N 3.17Å; G3228-S3230 PolarHBondContact O-N 3.35Å
3229	N	24.7	Very low	26.5	Very low	180 Å²	180	157.1 Å²	157.1	96%	0.963	83%	0.828	S	S	*	*	S	Bend	trans	-53.1	104.7	-173.4	-69.6	-31.7	0	0	0	113.9
3230	S	26.4	Very low	26.3	Very low	104 Å²	104	157.5 Å²	157.5	73%	0.727	83%	0.829	S	S	*	*			trans	-137.4	128.2	159.8	58.1	0	0	0	0	110.5	G3228	G3228-S3230 PolarHBondContact O-N 3.35Å
3231	Q	23.8	Very low	26.3	Very low	183 Å²	183	156.9 Å²	156.9	86%	0.855	83%	0.826	S	S	*	*			trans	10	115	165	-65.5	174	-28.5	0	0	117.6	E3233	Q3231-E3233 PolarHBondContact O-N 3.39Å
3232	M	24.9	Very low	26.1	Very low	195 Å²	195	159.3 Å²	159.3	96%	0.961	84%	0.838	S	S	*	*			trans	-65	101.4	157.3	-84	179.2	162.8	0	0	108.8
3233	E	25	Very low	26	Very low	173 Å²	173	161.6 Å²	161.6	81%	0.808	84%	0.838	S	S	*	*			trans	-63.1	144.2	165.4	-70.5	-176.3	131.3	0	0	110.2	Q3231 L3235	Q3231-E3233 PolarHBondContact O-N 3.39Å; E3233-L3235 PolarHBondContact O-N 3.38Å
3234	F	26.4	Very low	26.1	Very low	202 Å²	202	159.6 Å²	159.6	89%	0.886	84%	0.844	S	S	*	*			trans	-65.8	114	175.5	-79.9	-104	0	0	0	109.7	S3236	F3234-S3236 VanDerWaalsContact C-N 3.33Å; F3234-S3236 PolarHBondContact O-N 3.35Å
3235	L	26.2	Very low	26.2	Very low	184 Å²	184	162 Å²	162	96%	0.963	85%	0.845	S	S	*	*			trans	-70.1	93.6	163.2	-76.3	170.7	0	0	0	109	E3233	E3233-L3235 PolarHBondContact O-N 3.38Å
3236	S	25.2	Very low	26.3	Very low	97 Å²	97	164 Å²	164	68%	0.678	86%	0.861	S	S	*	*			trans	-80.3	129	170.8	56.3	0	0	0	0	111.4	F3234	F3234-S3236 VanDerWaalsContact C-N 3.33Å; F3234-S3236 PolarHBondContact O-N 3.35Å
3237	S	25.6	Very low	26.4	Very low	96 Å²	96	158.5 Å²	158.5	67%	0.671	86%	0.856	S	S	*	*	S	Bend	trans	46.4	119.3	152.6	58.3	0	0	0	0	120
3238	D	24.9	Very low	26.4	Very low	157 Å²	157	154.3 Å²	154.3	84%	0.84	86%	0.859	S	S	*	*			trans	71.6	90.3	146.8	-53.2	-13.3	0	0	0	119.2
3239	V	38.5	Very low	26.5	Very low	222 Å²	222	163 Å²	163	100%	1.345	88%	0.882	S	S	*	*			trans	-136.3	0	143.8	-179.2	0	0	0	0	108.7

Retrieved 3,239 of 3,239 residues in 5685.6 ms (Link to these results)

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