A0A3Q0KPI9_SCHMA Loading...

Autophagy-related protein 2 AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A3Q0KPI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,110 aa.

						>A0A3Q0KPI9_SCHMA|A0A3Q0KPI9
MPPWGLAKKPVKLFLNFTFGQFLSQPLEDDQVIITSNGIGCKDIYFNIDKLNALLSESGIPVVFCVAYIAEVVISLPWSVEIKGIDFVVQAISEVSSPSGTDELFNSMISSVSTAAFAVAKVAKDSTIPDNFFEETFTRTSDNIDLNDKEKIPKSFQEQAYQFFENLTAAAETMNVGAKGASSYVDQDSKQRIAHMIDSLIAQTTIVLRDVSIRIECELRLPGIDRASGLTLTIKHLSISNQYKTEEKQQSSPSNTSSSGRWSWLWWWQSSNNNNVSTGNSSVSSASSTNSTSTPAGSLSTMLHKIIHLEEADLFWDLWSTSGHVQGCSSLCSSLDPNQPPCSPLPNKTCGPTADTLVSSAKLLTLSGSEHTARLSLRVGSALNVSHSPTPSTIQSDDLPRMINTNTSNSNTKLANMSDFQLRLHVDLGPVVACAYPSQFYWLHMMIGQLLHIYDDYIEHSKKISEQAKLENDMTCYYSDLLTNNNLSNIIDENGCINVATSTLNKHIGDYSDHRDHQKPHSPLPPKPREAHLIDLDLTPSTINPQNLTSTMLNSELFRSCLSDVSTTTMYGDNAIPNQHFDDHYLPKSDGNHDSAQVATKCSMSLNILCIAFVAFYEDESVLTREQIAEGTLFSASSSNMNSSVHNFRSDEEKLLEKDDSLKLNEQDSLNTDEINDTSTLPEHRSRNCSDNKYYSHNNNDNSPGSYSTTTGCTAILPGPSIFFGRFHGLIPTPNCRLKSNSGRNQLDDNDDEVDMLHFKCQPMTINRQDVDTGRMSPSEWVAHLKYQFSNMAYPRDHLCFVGGLWHVELSNNYLVIPNSRSINQYYSSTQLCFNIQLFGVHLSECLFPSQTITTTATTKKANEPRTQNIKLESFELFHFPCPSTSSLPGSDCTTRSLSNEPAIKLHGNLYFSHIDVDSPSRITSGSQICQDFTNEIHIDFTHFCVDLDISIMDRIHRITDAWAAASEAVSRLSPLRPSDFNHHAEWCDTDINNDIPGTMKSGDHHVELNSGNKSKNSFTHNIPLSTDFQSNQLDSLRHFQSSTNMTVKCYSFELNLRFPVPIEAIKTTSGQKIPEIRSKLWSAGTVYNSNQSNSVQSISWWARTVRKEYLSIFMKKIRLTFDNSKELSSKLQPFGRSNDRLQNITKSKICSPFKIGKHNGNEQELELIIGSISVHLANDDLNIQSMPIVYFTTKMNPIPEPIKVYIRISPSGQTDLVECVNENPMNKDFDEQTTSREQPAQFEVGVDLTTFNEYISSSDQFYNPNRFNHDHSVEWSLWNQANPKQNCFIPLVVRQNFAQDAPKPHSKQITYYPGNKAHMSAYRQSASIHTHLFVHFKIPVAEIVIEHKQTVELLCLRLMYDLLLWQSLLPNDRRLRATLKRPNHTCQTVDSVTDLQSDHRYWFLSDPAPLATIYAHPDAARAAAELEAISPIGYYNVNHHPSGLHYHSVKSDEEEDSDYAENDLNELYNNTFNIKDNTISNHYTKYNKEDANRFNSKISWSNDLRRNVNNRNNINLNQHSLLYKNRQRFTGDHRTNNSTTHGADHKVLGPLTNTSVQFQSSICLQLDINSLQLTTFLPESSSSSVGGIRLTETVIINASNTTLFTELSHNSNPNLNYVEMEVGEFDISYSCSQNPNSDKHSSADNAHQSSSDSSVNLWPVLIHLSWDSIGYPYGSTLHQVGVSTTNSSNEPTFSMALEHRQIHRLSDSGNSTYDDEFILTLRIQDVCFVYWPLFSLNNRWDIFSNIGNPNLTTPVNSSHSTTTTTNTNNNFNYLTGLPNWFIRFCSLYQTPSLSFIAEEYPSYYAPACLFSQHLHFEHLTATFSMPYPEYFILSTNKPTSVNYQMPVLHFMIGCESASITVNTAMEMLTICPSINNNDINQVDVQPGMLVMAFINNLAIFVFPFKFTSINSNSLNPRLCDINSSHPLLINFRHWLNTFDLNKAVCITSLDHLELKCFSEPIIVTNTADNSSSSSNNNDNNDIHHNKSSFIYQNSTIPTITNRFDMRITNNLLKINTCADILVILHKFVELLTIYDMNNYNTTTPLSRIHSSPIHVKNTSSLKVDPTLCRQFHASSPIPSGSVYSNCFRNILDDNQCKSGSVSSLDLIQDAISDVDSVHSSPFKIGNIKRSSAVDIPSNISQTSSKNNESLTRKVEKKLTVNTCPTPQPCRTVHSSSKRKSNTSINNNIKSCSSSPCPINTANDTTSMDDKSKNQLYLNLSDQVKSLSNCSHNSEPSSLSDDFIFIDPALNYITPKERIRCLLQPTKQFSSPTITTNDQTSSPLISFDIHENFYSPPSSTTNFKNYRANRWNRLFIDPVKIYPRPLLAITLYDVSCEWNIYGGNDLLPTSSVTTTPLLGNIPSNEISTPVPPHNKSPVLSSSSPLKDLTQKLTTTSSRSNESLLTSKNATNIRSGGNISPNQMLKSCPKPGYRFRHGQPLINKPSSSGSVGASGPVRIRSNESRSENISLQSPKDSKGIRSRLTLYSQGGLGRQLDNCISFNISKLYFRQAKFPARMKKSIHQRQEQQLNSSQSLFSLTVDPFQRLIIHIPSIVIIDRVSSSNVNQLLYSYNRNYSPSINLLPHNLDTPMLRMVVVCWPVIPSHLEQDNISLLSQQVVERSKADNEKFIRKGENVNIDVNNDTEDEDNVSNDCSMNITQLQSTKNFDYIYLPQPNNLEVEIKLSIQPLKINLDQYTLLFLYEYQENFKRLLTASSRESDNFQMGQSVSSLEFRSPTQYGLASSPNINPNNSTQSHLKQYNDNVNTVSIPQSNLVRPVYLPVDPIEHNQPVLFIRKFTFYPDLSIHLDYHGRRLDLSGGSFHGLLAMLLQLTNAEFTIPRRIYQRGYQSFDRLIEEVVEDLSSIISAQLPHAIVTSFGPMHEVTQFLLGLWDLVYQPVCSFYGTAELPNTSLDSGHVGTAVCKLGLFKKPHQLRNEICHSREYMLTDTSCGTSRSGIIHGLRRGTRSFSTSTLWATLQLSIQGIRAVQSIAETAYDLVTPGPALRSRRLYLRQPADIREGFGNAVNVLTRGFQMVAEDLCGATALPSEVEIGYKGPVGMVGDVLRQIPPTMVTPIVASCEVTANILGGLRNQLRPEAKVEDEQKWKNTYGL
					

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

Download 10 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	38.6	Very low	58.2	Low	207 Å²	207	71.5 Å²	71.5	100%	1.02	39%	0.387	S	S	*	.				0	157	0	-66.4	167.7	71.1	0	0	107.9
2	P	47.4	Very low	59.2	Low	68 Å²	68	69.1 Å²	69.1	44%	0.442	37%	0.37	S	S	.	.			trans	-57.3	143.5	162.8	-17.7	31.4	0	0	0	109.3	W4 G5	P2-W4 PolarHBondContact O-N 2.77Å; P2-G5 PolarHBondContact O-N 3.2Å
3	P	54.7	Low	59.9	Low	86 Å²	86	69.8 Å²	69.8	56%	0.558	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-58.7	-34	-179	23	-32.8	0	0	0	111.9	G5 Y161	P3-G5 PolarHBondContact O-N 3.28Å; P3-Y161 HydrophobicContact CG-CE1 4.34Å
4	W	58.8	Low	60.5	Low	11 Å²	11	70.8 Å²	70.8	4%	0.042	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-54.1	-17.4	172.4	-59.8	114.3	0	0	0	115.8	P2 L6 A7 I34 I39 L76	P2-W4 PolarHBondContact O-N 2.77Å; W4-L6 PolarHBondContact O-N 3.4Å; W4-L6 VanDerWaalsContact O-N 3.13Å; W4-A7 HydrophobicContact CE3-CB 4.17Å; W4-A7 PolarHBondContact O-N 3.13Å; W4-I34 HydrophobicContact CB-CB 4.47Å; W4-I34 HydrophobicContact CB-CD1 4.39Å; W4-I34 HydrophobicContact CB-CG1 4.19Å; W4-I34 HydrophobicContact CB-CG2 3.51Å; W4-I34 HydrophobicContact CG-CG2 4.32Å; W4-I34 VanDerWaalsContact O-CD1 3.23Å; W4-I34 WeakPolarHBondContact O-CD1 3.2Å; W4-I39 HydrophobicContact CD2-CB 4.43Å; W4-I39 HydrophobicContact CE3-CB 3.85Å; W4-I39 HydrophobicContact CE3-CG2 3.8Å; W4-I39 HydrophobicContact CH2-CG2 4.25Å; W4-I39 HydrophobicContact CZ3-CB 4.12Å; W4-I39 HydrophobicContact CZ3-CG2 3.54Å; W4-L76 HydrophobicContact CH2-CD1 3.72Å; W4-L76 HydrophobicContact CH2-CG 3.71Å; W4-L76 HydrophobicContact CZ2-CB 4.44Å; W4-L76 HydrophobicContact CZ2-CD1 3.69Å; W4-L76 HydrophobicContact CZ2-CG 3.73Å
5	G	56.5	Low	61	Low	29 Å²	29	66.9 Å²	66.9	30%	0.299	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-57.5	-27.6	-177.1	0	0	0	0	0	115.1	P2 P3	P2-G5 PolarHBondContact O-N 3.2Å; P3-G5 PolarHBondContact O-N 3.28Å
6	L	57.2	Low	61.6	Low	154 Å²	154	65.3 Å²	65.3	81%	0.806	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-27.1	174.5	-63.8	171.9	0	0	0	112.4	W4 K8	W4-L6 PolarHBondContact O-N 3.4Å; W4-L6 VanDerWaalsContact O-N 3.13Å; L6-K8 VanDerWaalsContact C-N 3.25Å; L6-K8 PolarHBondContact O-N 3.34Å
7	A	64.2	Low	62	Low	15 Å²	15	66.2 Å²	66.2	12%	0.124	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-7.6	-174.5	0	0	0	0	0	114.9	W4 K9 P10 V11 I39	W4-A7 HydrophobicContact CE3-CB 4.17Å; W4-A7 PolarHBondContact O-N 3.13Å; A7-K9 PolarHBondContact O-N 3.01Å; A7-P10 WeakPolarHBondContact O-CD 3.2Å; A7-P10 WeakPolarHBondContact O-CG 2.74Å; A7-V11 HydrophobicContact CB-CG2 4.36Å; A7-V11 WeakPolarHBondContact O-CB 3.37Å; A7-V11 WeakPolarHBondContact O-CG2 3.33Å; A7-V11 PolarHBondContact O-N 3.23Å; A7-I39 HydrophobicContact CB-CD1 4.23Å
8	K	66.1	Low	62.1	Low	62 Å²	62	65.3 Å²	65.3	27%	0.27	34%	0.343	S	S	.	.	H	α-helix	trans	-57.2	-48.2	-176	-174.8	156	171.1	158.9	0	113.5	L6 K12 D29 V32 I34	L6-K8 VanDerWaalsContact C-N 3.25Å; L6-K8 PolarHBondContact O-N 3.34Å; K8-K12 VanDerWaalsContact O-CB 3.24Å; K8-K12 WeakPolarHBondContact O-CB 3.39Å; K8-K12 PolarHBondContact O-N 3.24Å; K8-D29 WeakPolarHBondContact CE-O 3.38Å; K8-D29 PolarHBondContact NZ-O 2.95Å; K8-V32 WeakPolarHBondContact CE-O 3.48Å; K8-V32 HydrophobicContact CG-CB 4.46Å; K8-V32 HydrophobicContact CG-CG1 3.98Å; K8-V32 PolarHBondContact NZ-O 3.36Å; K8-I34 HydrophobicContact CB-CD1 4.06Å; K8-I34 HydrophobicContact CD-CD1 4.36Å
9	K	66.9	Low	62.3	Low	142 Å²	142	67.3 Å²	67.3	62%	0.617	35%	0.348	S	S	*	.	H	α-helix	trans	-67.4	-52.3	178.8	-73.3	-173.5	175.6	-175.6	0	114	A7 V11 K12 L13	A7-K9 PolarHBondContact O-N 3.01Å; K9-V11 PolarHBondContact O-N 3.46Å; K9-K12 WeakPolarHBondContact O-CB 3.18Å; K9-K12 PolarHBondContact O-N 3.31Å; K9-L13 PolarHBondContact O-N 2.66Å
10	P	64.5	Low	62.8	Low	4 Å²	4	64.9 Å²	64.9	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-35.5	-179.7	24.8	-36.6	0	0	0	112.9	A7 L13 F14 T168 A171	A7-P10 WeakPolarHBondContact O-CD 3.2Å; A7-P10 WeakPolarHBondContact O-CG 2.74Å; P10-L13 PolarHBondContact O-N 3.34Å; P10-F14 WeakPolarHBondContact O-CB 3.19Å; P10-F14 PolarHBondContact O-N 3.49Å; P10-T168 HydrophobicContact CB-CG2 3.73Å; P10-T168 WeakPolarHBondContact CB-OG1 3.17Å; P10-T168 HydrophobicContact CG-CG2 3.56Å; P10-T168 VanDerWaalsContact CG-OG1 3.24Å; P10-T168 WeakPolarHBondContact CG-OG1 3.39Å; P10-A171 HydrophobicContact CB-CB 4.42Å
11	V	65.6	Low	63.2	Low	9 Å²	9	63.8 Å²	63.8	6%	0.055	33%	0.334	C	S	.	.	H	α-helix	trans	-72.4	-35.9	175.8	175	0	0	0	0	111.5	A7 K9 F14 L15 I39 F164	A7-V11 HydrophobicContact CB-CG2 4.36Å; A7-V11 WeakPolarHBondContact O-CB 3.37Å; A7-V11 WeakPolarHBondContact O-CG2 3.33Å; A7-V11 PolarHBondContact O-N 3.23Å; K9-V11 PolarHBondContact O-N 3.46Å; V11-F14 PolarHBondContact O-N 3.36Å; V11-L15 HydrophobicContact CG1-CD1 3.91Å; V11-L15 HydrophobicContact CG1-CG 4.2Å; V11-L15 WeakPolarHBondContact O-CB 2.98Å; V11-L15 VanDerWaalsContact O-CG 3.3Å; V11-L15 WeakPolarHBondContact O-CG 3.44Å; V11-L15 PolarHBondContact O-N 3.25Å; V11-I39 HydrophobicContact CB-CD1 3.68Å; V11-I39 HydrophobicContact CB-CG1 4.34Å; V11-I39 HydrophobicContact CG1-CD1 3.93Å; V11-I39 HydrophobicContact CG1-CG1 4.02Å; V11-I39 HydrophobicContact CG1-CG2 4Å; V11-I39 HydrophobicContact CG2-CD1 3.93Å; V11-I39 HydrophobicContact CG2-CG2 4.25Å; V11-F164 HydrophobicContact CG2-CD1 4.45Å; V11-F164 HydrophobicContact CG2-CE1 4.43Å
12	K	70	Confident	64.8	Low	42 Å²	42	56.1 Å²	56.1	18%	0.183	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-45.5	168.8	-174.1	-175.1	-172.5	-172.1	0	111.8	K8 K9 N16 L27 E28 D29 V32	K8-K12 VanDerWaalsContact O-CB 3.24Å; K8-K12 WeakPolarHBondContact O-CB 3.39Å; K8-K12 PolarHBondContact O-N 3.24Å; K9-K12 WeakPolarHBondContact O-CB 3.18Å; K9-K12 PolarHBondContact O-N 3.31Å; K12-N16 WeakPolarHBondContact O-CB 3.35Å; K12-N16 PolarHBondContact O-N 3.25Å; K12-L27 WeakPolarHBondContact CE-O 3.11Å; K12-L27 PolarHBondContact NZ-O 2.77Å; K12-E28 WeakPolarHBondContact CE-O 3.29Å; K12-E28 VanDerWaalsContact NZ-C 3.31Å; K12-D29 WeakPolarHBondContact CD-OD1 3.34Å; K12-D29 WeakPolarHBondContact CE-OD1 3.47Å; K12-D29 IonicContact NZ-OD1 2.66Å; K12-D29 PolarHBondContact NZ-OD1 3.45Å; K12-V32 HydrophobicContact CB-CG2 4.13Å; K12-V32 HydrophobicContact CD-CG2 4.47Å; K12-V32 HydrophobicContact CG-CG2 4.03Å
13	L	67.9	Low	66.3	Low	78 Å²	78	53.4 Å²	53.4	41%	0.408	28%	0.277	S	S	.	.	H	α-helix	trans	-60.2	-47.8	175.2	-81.6	165.2	0	0	0	111.4	K9 P10 N16 F17 A171	K9-L13 PolarHBondContact O-N 2.66Å; P10-L13 PolarHBondContact O-N 3.34Å; L13-N16 PolarHBondContact O-N 2.98Å; L13-F17 WeakPolarHBondContact O-CB 3.49Å; L13-F17 PolarHBondContact O-N 3.44Å; L13-A171 HydrophobicContact CB-CB 4.42Å
14	F	68.4	Low	67.5	Low	84 Å²	84	52.2 Å²	52.2	37%	0.368	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-48.2	177.7	-179.9	-98.8	0	0	0	112.2	P10 V11 F17 T18 L167	P10-F14 WeakPolarHBondContact O-CB 3.19Å; P10-F14 PolarHBondContact O-N 3.49Å; V11-F14 PolarHBondContact O-N 3.36Å; F14-F17 PolarHBondContact O-N 2.8Å; F14-T18 WeakPolarHBondContact O-CB 3.24Å; F14-T18 PolarHBondContact O-N 3.23Å; F14-T18 PolarHBondContact O-OG1 2.7Å; F14-T18 VanDerWaalsContact O-OG1 3.1Å; F14-L167 HydrophobicContact CD2-CD2 3.95Å; F14-L167 HydrophobicContact CE2-CD1 4.44Å; F14-L167 HydrophobicContact CE2-CD2 4.03Å
15	L	67.9	Low	68.5	Low	13 Å²	13	58.3 Å²	58.3	7%	0.068	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-42.9	178.9	-69.6	172.7	0	0	0	112.1	V11 F17 F19 G20 L27	V11-L15 HydrophobicContact CG1-CD1 3.91Å; V11-L15 HydrophobicContact CG1-CG 4.2Å; V11-L15 WeakPolarHBondContact O-CB 2.98Å; V11-L15 VanDerWaalsContact O-CG 3.3Å; V11-L15 WeakPolarHBondContact O-CG 3.44Å; V11-L15 PolarHBondContact O-N 3.25Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 2.97Å; L15-F19 HydrophobicContact CD2-CD2 3.87Å; L15-F19 HydrophobicContact CD2-CE2 4.01Å; L15-F19 WeakPolarHBondContact O-CA 3.39Å; L15-F19 WeakPolarHBondContact O-CB 3.3Å; L15-F19 PolarHBondContact O-N 3.11Å; L15-G20 PolarHBondContact O-N 2.66Å; L15-L27 HydrophobicContact CB-CD1 3.82Å; L15-L27 HydrophobicContact CD1-CD1 4.14Å
16	N	71.7	Confident	69.4	Low	40 Å²	40	61.1 Å²	61.1	21%	0.214	31%	0.312	C	S	.	.	H	α-helix	trans	-70.7	-27.4	176.1	-77.7	-16.3	0	0	0	112.9	K12 L13 G20 L27	K12-N16 WeakPolarHBondContact O-CB 3.35Å; K12-N16 PolarHBondContact O-N 3.25Å; L13-N16 PolarHBondContact O-N 2.98Å; N16-G20 WeakPolarHBondContact O-CA 3.24Å; N16-G20 PolarHBondContact O-N 3.11Å; N16-G20 VanDerWaalsContact O-N 3.14Å; N16-L27 PolarHBondContact ND2-N 3.25Å; N16-L27 PolarHBondContact ND2-O 2.88Å; N16-L27 WeakPolarHBondContact OD1-CB 3.39Å; N16-L27 WeakPolarHBondContact OD1-CG 3.27Å; N16-L27 PolarHBondContact OD1-N 3.12Å
17	F	68.1	Low	70.4	Confident	81 Å²	81	54.1 Å²	54.1	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-75.6	-44.4	174.3	-175.8	-93.5	0	0	0	112.2	L13 F14 L15 V112 A115 A116 M174	L13-F17 WeakPolarHBondContact O-CB 3.49Å; L13-F17 PolarHBondContact O-N 3.44Å; F14-F17 PolarHBondContact O-N 2.8Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 2.97Å; F17-V112 HydrophobicContact CD1-CG1 4.35Å; F17-V112 HydrophobicContact CE1-CG1 3.67Å; F17-V112 HydrophobicContact CZ-CG1 3.92Å; F17-A115 HydrophobicContact CZ-CB 4.49Å; F17-A116 HydrophobicContact CE1-CB 4.18Å; F17-M174 HydrophobicContact CD2-CE 4.12Å; F17-M174 HydrophobicContact CE1-CE 4.36Å; F17-M174 HydrophobicContact CE2-CE 3.68Å; F17-M174 HydrophobicContact CZ-CE 3.82Å
18	T	63	Low	71	Confident	51 Å²	51	59 Å²	59	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-81.1	-42.5	-176.8	-56.4	0	0	0	0	112.8	F14	F14-T18 WeakPolarHBondContact O-CB 3.24Å; F14-T18 PolarHBondContact O-N 3.23Å; F14-T18 PolarHBondContact O-OG1 2.7Å; F14-T18 VanDerWaalsContact O-OG1 3.1Å
19	F	67.2	Low	71.3	Confident	102 Å²	102	60.1 Å²	60.1	45%	0.447	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-17.5	-174.1	-59.9	-73.7	0	0	0	114.1	L15 Q21 F22 L23	L15-F19 HydrophobicContact CD2-CD2 3.87Å; L15-F19 HydrophobicContact CD2-CE2 4.01Å; L15-F19 WeakPolarHBondContact O-CA 3.39Å; L15-F19 WeakPolarHBondContact O-CB 3.3Å; L15-F19 PolarHBondContact O-N 3.11Å; F19-Q21 PolarHBondContact O-N 3.05Å; F19-F22 WeakPolarHBondContact O-CA 3.25Å; F19-F22 WeakPolarHBondContact O-CB 3.32Å; F19-F22 PolarHBondContact O-N 3.4Å; F19-L23 PolarHBondContact O-N 3.21Å
20	G	70.8	Confident	71.9	Confident	20 Å²	20	59.1 Å²	59.1	21%	0.206	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.5	-173.4	0	0	0	0	0	115.1	L15 N16 F22	L15-G20 PolarHBondContact O-N 2.66Å; N16-G20 WeakPolarHBondContact O-CA 3.24Å; N16-G20 PolarHBondContact O-N 3.11Å; N16-G20 VanDerWaalsContact O-N 3.14Å; G20-F22 VanDerWaalsContact C-N 3.35Å
21	Q	71.2	Confident	72.6	Confident	42 Å²	42	61 Å²	61	20%	0.196	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-31.3	169.2	72.2	172.7	13	0	0	113.3	F19 K50	F19-Q21 PolarHBondContact O-N 3.05Å; Q21-K50 WeakPolarHBondContact O-CD 3.33Å; Q21-K50 WeakPolarHBondContact O-CE 3.39Å; Q21-K50 PolarHBondContact O-NZ 3.3Å
22	F	73.4	Confident	73.2	Confident	45 Å²	45	60.5 Å²	60.5	20%	0.197	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.3	178.7	-58	-71.2	0	0	0	113.1	F19 G20 F46 N47 L54 F105 I109	F19-F22 WeakPolarHBondContact O-CA 3.25Å; F19-F22 WeakPolarHBondContact O-CB 3.32Å; F19-F22 PolarHBondContact O-N 3.4Å; G20-F22 VanDerWaalsContact C-N 3.35Å; F22-F46 HydrophobicContact CB-CD1 4.37Å; F22-F46 CarbonylContact O-C 3.57Å; F22-F46 WeakPolarHBondContact O-CA 3.32Å; F22-F46 WeakPolarHBondContact O-CD1 3.36Å; F22-N47 PolarHBondContact O-N 2.78Å; F22-L54 HydrophobicContact CE1-CD1 3.81Å; F22-F105 HydrophobicContact CE1-CZ 4.42Å; F22-I109 HydrophobicContact CZ-CD1 4.27Å
23	L	79.5	Confident	73.7	Confident	12 Å²	12	60 Å²	60	6%	0.063	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-87.3	145.4	174.1	-57.4	-175.2	0	0	0	110.5	F19 Q25 L27 I44	F19-L23 PolarHBondContact O-N 3.21Å; L23-Q25 VanDerWaalsContact C-N 3.27Å; L23-Q25 VanDerWaalsContact CB-O 3.25Å; L23-Q25 WeakPolarHBondContact CB-O 3.47Å; L23-Q25 PolarHBondContact O-N 2.95Å; L23-L27 HydrophobicContact CD1-CD1 4.23Å; L23-L27 HydrophobicContact CD1-CD2 4.01Å; L23-L27 HydrophobicContact CD1-CG 3.7Å; L23-I44 HydrophobicContact CD2-CG2 3.44Å; L23-I44 VanDerWaalsContact CD2-CG2 3.44Å
24	S	79	Confident	74	Confident	60 Å²	60	59.2 Å²	59.2	42%	0.42	31%	0.306	S	S	.	.	S	Bend	trans	-65	-33.4	174.3	57.7	0	0	0	0	112	Y45	S24-Y45 WeakPolarHBondContact CB-O 3.4Å; S24-Y45 PolarHBondContact N-O 3.13Å; S24-Y45 VanDerWaalsContact OG-CB 3.3Å; S24-Y45 WeakPolarHBondContact OG-CB 3.34Å; S24-Y45 PolarHBondContact OG-O 3.06Å
25	Q	79.5	Confident	74.1	Confident	139 Å²	139	57.4 Å²	57.4	65%	0.65	30%	0.303	S	S	*	.	S	Bend	trans	-139.5	147.1	175.5	-60.1	-176.6	5.3	0	0	109	L23	L23-Q25 VanDerWaalsContact C-N 3.27Å; L23-Q25 VanDerWaalsContact CB-O 3.25Å; L23-Q25 WeakPolarHBondContact CB-O 3.47Å; L23-Q25 PolarHBondContact O-N 2.95Å
26	P	75.6	Confident	74.1	Confident	88 Å²	88	61.6 Å²	61.6	57%	0.571	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-65.5	137.7	172.2	29.3	-34.1	0	0	0	109.7	E28	P26-E28 PolarHBondContact O-N 2.84Å
27	L	77.5	Confident	73.9	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.042	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-53.6	138.2	-176.2	-64.4	167.1	0	0	0	111.5	K12 L15 N16 L23 V32 C41	K12-L27 WeakPolarHBondContact CE-O 3.11Å; K12-L27 PolarHBondContact NZ-O 2.77Å; L15-L27 HydrophobicContact CB-CD1 3.82Å; L15-L27 HydrophobicContact CD1-CD1 4.14Å; N16-L27 PolarHBondContact ND2-N 3.25Å; N16-L27 PolarHBondContact ND2-O 2.88Å; N16-L27 WeakPolarHBondContact OD1-CB 3.39Å; N16-L27 WeakPolarHBondContact OD1-CG 3.27Å; N16-L27 PolarHBondContact OD1-N 3.12Å; L23-L27 HydrophobicContact CD1-CD1 4.23Å; L23-L27 HydrophobicContact CD1-CD2 4.01Å; L23-L27 HydrophobicContact CD1-CG 3.7Å; L27-V32 HydrophobicContact CB-CG2 4.45Å; L27-C41 HydrophobicContact CD1-CB 4.02Å; L27-C41 HydrophobicContact CD2-CB 4.09Å
28	E	77.8	Confident	74.2	Confident	116 Å²	116	60.9 Å²	60.9	54%	0.542	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-86.3	173.6	176.8	-73.9	-129.8	-154.4	0	0	112.8	K12 P26 D30 Q31	K12-E28 WeakPolarHBondContact CE-O 3.29Å; K12-E28 VanDerWaalsContact NZ-C 3.31Å; P26-E28 PolarHBondContact O-N 2.84Å; E28-D30 VanDerWaalsContact C-N 3.35Å; E28-D30 WeakPolarHBondContact CB-OD1 3.46Å; E28-Q31 HydrophobicContact CB-CG 4.48Å
29	D	72.5	Confident	74.9	Confident	87 Å²	87	58.5 Å²	58.5	47%	0.465	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.5	-177.5	-103.7	23	0	0	0	113.1	K8 K12	K8-D29 WeakPolarHBondContact CE-O 3.38Å; K8-D29 PolarHBondContact NZ-O 2.95Å; K12-D29 WeakPolarHBondContact CD-OD1 3.34Å; K12-D29 WeakPolarHBondContact CE-OD1 3.47Å; K12-D29 IonicContact NZ-OD1 2.66Å; K12-D29 PolarHBondContact NZ-OD1 3.45Å
30	D	78.8	Confident	75.6	Confident	120 Å²	120	53.8 Å²	53.8	64%	0.642	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-42.2	175.4	59.9	-17.2	0	0	0	112.2	E28 V32	E28-D30 VanDerWaalsContact C-N 3.35Å; E28-D30 WeakPolarHBondContact CB-OD1 3.46Å; D30-V32 PolarHBondContact O-N 2.85Å
31	Q	79.4	Confident	76.2	Confident	43 Å²	43	53.1 Å²	53.1	20%	0.201	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.4	176.7	-71.8	179.8	-48	0	0	113.2	E28 I33 C41 K42 D43	E28-Q31 HydrophobicContact CB-CG 4.48Å; Q31-I33 PolarHBondContact O-N 3.36Å; Q31-C41 CarbonylContact O-C 3.51Å; Q31-C41 VanDerWaalsContact O-CA 3.29Å; Q31-C41 WeakPolarHBondContact O-CA 3.43Å; Q31-K42 PolarHBondContact NE2-O 2.89Å; Q31-K42 PolarHBondContact O-N 3.33Å; Q31-D43 PolarHBondContact NE2-O 2.99Å; Q31-D43 VanDerWaalsContact NE2-O 3.11Å
32	V	78.8	Confident	77	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	107.5	-179.6	-178.9	0	0	0	0	111.1	K8 K12 L27 D30 I39 G40	K8-V32 WeakPolarHBondContact CE-O 3.48Å; K8-V32 HydrophobicContact CG-CB 4.46Å; K8-V32 HydrophobicContact CG-CG1 3.98Å; K8-V32 PolarHBondContact NZ-O 3.36Å; K12-V32 HydrophobicContact CB-CG2 4.13Å; K12-V32 HydrophobicContact CD-CG2 4.47Å; K12-V32 HydrophobicContact CG-CG2 4.03Å; L27-V32 HydrophobicContact CB-CG2 4.45Å; D30-V32 PolarHBondContact O-N 2.85Å; V32-I39 HydrophobicContact CG1-CG1 4.43Å; V32-G40 CarbonylContact C-O 3.56Å; V32-G40 VanDerWaalsContact CA-O 3.29Å; V32-G40 WeakPolarHBondContact CA-O 3.04Å; V32-G40 WeakPolarHBondContact CG1-O 3.43Å
33	I	79	Confident	77.7	Confident	32 Å²	32	56 Å²	56	16%	0.164	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	150.4	-178.5	54.3	160.2	0	0	0	112.6	Q31 T35 G40 K42 E71 V73	Q31-I33 PolarHBondContact O-N 3.36Å; I33-T35 HydrophobicContact CD1-CG2 4.25Å; I33-G40 PolarHBondContact N-O 3.3Å; I33-G40 PolarHBondContact O-N 3.04Å; I33-K42 HydrophobicContact CD1-CG 4.32Å; I33-K42 HydrophobicContact CG2-CD 3.97Å; I33-K42 HydrophobicContact CG2-CG 4.15Å; I33-E71 HydrophobicContact CD1-CG 3.97Å; I33-V73 HydrophobicContact CD1-CG2 4.01Å
34	I	74	Confident	78.1	Confident	60 Å²	60	56 Å²	56	31%	0.308	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.6	166.7	-71.6	163.9	0	0	0	107.3	W4 K8 I39	W4-I34 HydrophobicContact CB-CB 4.47Å; W4-I34 HydrophobicContact CB-CD1 4.39Å; W4-I34 HydrophobicContact CB-CG1 4.19Å; W4-I34 HydrophobicContact CB-CG2 3.51Å; W4-I34 HydrophobicContact CG-CG2 4.32Å; W4-I34 VanDerWaalsContact O-CD1 3.23Å; W4-I34 WeakPolarHBondContact O-CD1 3.2Å; K8-I34 HydrophobicContact CB-CD1 4.06Å; K8-I34 HydrophobicContact CD-CD1 4.36Å; I34-I39 HydrophobicContact CG1-CD1 4.27Å; I34-I39 HydrophobicContact CG1-CG1 4.39Å
35	T	71.4	Confident	78.5	Confident	47 Å²	47	59.4 Å²	59.4	29%	0.288	31%	0.31	S	S	.	.			trans	-99.4	177.2	170.9	65.7	0	0	0	0	109.8	I33 N37 G38 V73	I33-T35 HydrophobicContact CD1-CG2 4.25Å; T35-N37 PolarHBondContact O-N 3.45Å; T35-G38 PolarHBondContact N-O 2.92Å; T35-G38 PolarHBondContact OG1-N 2.87Å; T35-G38 VanDerWaalsContact OG1-N 3.12Å; T35-G38 PolarHBondContact OG1-O 3.14Å; T35-V73 HydrophobicContact CG2-CG1 4.22Å
36	S	67.9	Low	78.9	Confident	100 Å²	100	55.1 Å²	55.1	70%	0.699	29%	0.289	S	S	*	.	S	Bend	trans	-64.4	-26.8	174.9	53.4	0	0	0	0	113
37	N	67	Low	79.5	Confident	107 Å²	107	52.4 Å²	52.4	57%	0.572	27%	0.27	S	S	*	.	S	Bend	trans	-112.8	-13.8	-167.5	-58.2	7.6	0	0	0	112.9	T35 S75 L76	T35-N37 PolarHBondContact O-N 3.45Å; N37-S75 WeakPolarHBondContact O-CA 3.46Å; N37-S75 WeakPolarHBondContact O-CB 3.45Å; N37-L76 PolarHBondContact O-N 3.37Å
38	G	74.7	Confident	80	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	-171.6	-169.8	0	0	0	0	0	114.3	T35 I74	T35-G38 PolarHBondContact N-O 2.92Å; T35-G38 PolarHBondContact OG1-N 2.87Å; T35-G38 VanDerWaalsContact OG1-N 3.12Å; T35-G38 PolarHBondContact OG1-O 3.14Å; G38-I74 CarbonylContact C-O 3.5Å; G38-I74 WeakPolarHBondContact CA-O 3.18Å
39	I	78.5	Confident	80.3	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.4	178	-174.4	156.6	0	0	0	109.2	W4 A7 V11 V32 I34 I74	W4-I39 HydrophobicContact CD2-CB 4.43Å; W4-I39 HydrophobicContact CE3-CB 3.85Å; W4-I39 HydrophobicContact CE3-CG2 3.8Å; W4-I39 HydrophobicContact CH2-CG2 4.25Å; W4-I39 HydrophobicContact CZ3-CB 4.12Å; W4-I39 HydrophobicContact CZ3-CG2 3.54Å; A7-I39 HydrophobicContact CB-CD1 4.23Å; V11-I39 HydrophobicContact CB-CD1 3.68Å; V11-I39 HydrophobicContact CB-CG1 4.34Å; V11-I39 HydrophobicContact CG1-CD1 3.93Å; V11-I39 HydrophobicContact CG1-CG1 4.02Å; V11-I39 HydrophobicContact CG1-CG2 4Å; V11-I39 HydrophobicContact CG2-CD1 3.93Å; V11-I39 HydrophobicContact CG2-CG2 4.25Å; V32-I39 HydrophobicContact CG1-CG1 4.43Å; I34-I39 HydrophobicContact CG1-CD1 4.27Å; I34-I39 HydrophobicContact CG1-CG1 4.39Å; I39-I74 PolarHBondContact N-O 2.84Å; I39-I74 PolarHBondContact O-N 3.46Å
40	G	80.8	Confident	80.8	Confident	2 Å²	2	53.7 Å²	53.7	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	-178.1	-170.3	0	0	0	0	0	114.6	V32 I33 V72	V32-G40 CarbonylContact C-O 3.56Å; V32-G40 VanDerWaalsContact CA-O 3.29Å; V32-G40 WeakPolarHBondContact CA-O 3.04Å; V32-G40 WeakPolarHBondContact CG1-O 3.43Å; I33-G40 PolarHBondContact N-O 3.3Å; I33-G40 PolarHBondContact O-N 3.04Å; G40-V72 CarbonylContact C-O 3.55Å; G40-V72 WeakPolarHBondContact CA-O 3.41Å
41	C	84.4	Confident	81.1	Confident	7 Å²	7	49.5 Å²	49.5	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.7	175.1	38.6	0	0	0	0	110.9	L27 Q31 I44 E71 V72	L27-C41 HydrophobicContact CD1-CB 4.02Å; L27-C41 HydrophobicContact CD2-CB 4.09Å; Q31-C41 CarbonylContact O-C 3.51Å; Q31-C41 VanDerWaalsContact O-CA 3.29Å; Q31-C41 WeakPolarHBondContact O-CA 3.43Å; C41-I44 HydrophobicContact CB-CD1 4.19Å; C41-I44 HydrophobicContact CB-CG1 4.49Å; C41-I44 VanDerWaalsContact SG-CD1 3.5Å; C41-E71 WeakPolarHBondContact O-CA 3.34Å; C41-V72 PolarHBondContact N-O 3.44Å; C41-V72 PolarHBondContact O-N 3.37Å
42	K	87.9	Confident	81.5	Confident	73 Å²	73	48.2 Å²	48.2	32%	0.317	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	161.5	178.1	-71.7	-174	175.3	-96.2	0	112.4	Q31 I33 I44 A70 E71	Q31-K42 PolarHBondContact NE2-O 2.89Å; Q31-K42 PolarHBondContact O-N 3.33Å; I33-K42 HydrophobicContact CD1-CG 4.32Å; I33-K42 HydrophobicContact CG2-CD 3.97Å; I33-K42 HydrophobicContact CG2-CG 4.15Å; K42-I44 PolarHBondContact O-N 3.21Å; K42-A70 VanDerWaalsContact CA-O 3.28Å; K42-A70 WeakPolarHBondContact CA-O 3.4Å; K42-E71 WeakPolarHBondContact CE-OE1 3.47Å; K42-E71 HydrophobicContact CG-CB 4.4Å; K42-E71 HydrophobicContact CG-CG 4.15Å; K42-E71 IonicContact NZ-OE1 2.66Å; K42-E71 PolarHBondContact NZ-OE1 3.36Å
43	D	88.1	Confident	81.6	Confident	74 Å²	74	50 Å²	50	40%	0.396	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.4	54.1	168.7	-53.6	-59.5	0	0	0	112.5	Q31 Y45 Y68 A70	Q31-D43 PolarHBondContact NE2-O 2.99Å; Q31-D43 VanDerWaalsContact NE2-O 3.11Å; D43-Y45 WeakPolarHBondContact O-CD2 3.47Å; D43-Y68 PolarHBondContact OD1-OH 2.79Å; D43-Y68 VanDerWaalsContact OD1-OH 3.09Å; D43-A70 PolarHBondContact N-O 3.26Å
44	I	87.2	Confident	81.7	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.062	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	107	-169.8	-49.1	175.7	0	0	0	109.7	L23 C41 K42 F46 Y68 I69 V72	L23-I44 HydrophobicContact CD2-CG2 3.44Å; L23-I44 VanDerWaalsContact CD2-CG2 3.44Å; C41-I44 HydrophobicContact CB-CD1 4.19Å; C41-I44 HydrophobicContact CB-CG1 4.49Å; C41-I44 VanDerWaalsContact SG-CD1 3.5Å; K42-I44 PolarHBondContact O-N 3.21Å; I44-F46 HydrophobicContact CG2-CE2 4.21Å; I44-Y68 WeakPolarHBondContact O-CA 3.26Å; I44-I69 HydrophobicContact CB-CB 4.3Å; I44-I69 WeakPolarHBondContact CB-O 3.48Å; I44-I69 PolarHBondContact N-O 3.46Å; I44-I69 PolarHBondContact O-N 2.67Å; I44-V72 HydrophobicContact CD1-CB 4.08Å; I44-V72 HydrophobicContact CD1-CG2 3.56Å
45	Y	88.7	Confident	82	Confident	132 Å²	132	49.4 Å²	49.4	52%	0.518	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.4	175.1	-68.2	-90.8	0	0	0	110.9	S24 D43 Y68	S24-Y45 WeakPolarHBondContact CB-O 3.4Å; S24-Y45 PolarHBondContact N-O 3.13Å; S24-Y45 VanDerWaalsContact OG-CB 3.3Å; S24-Y45 WeakPolarHBondContact OG-CB 3.34Å; S24-Y45 PolarHBondContact OG-O 3.06Å; D43-Y45 WeakPolarHBondContact O-CD2 3.47Å; Y45-Y68 AromaticContact CD1-CD2 3.74Å; Y45-Y68 HydrophobicContact CD1-CD2 3.74Å; Y45-Y68 HydrophobicContact CD1-CG 4.5Å; Y45-Y68 HydrophobicContact CD2-CD2 4.05Å; Y45-Y68 HydrophobicContact CD2-CE2 4.2Å; Y45-Y68 AromaticContact CE1-CD2 3.48Å; Y45-Y68 HydrophobicContact CE1-CD2 3.48Å; Y45-Y68 VanDerWaalsContact CE1-CD2 3.48Å; Y45-Y68 HydrophobicContact CE1-CE2 4Å; Y45-Y68 HydrophobicContact CE1-CG 4.21Å; Y45-Y68 AromaticContact CE2-CD2 3.8Å; Y45-Y68 HydrophobicContact CE2-CD2 3.8Å; Y45-Y68 AromaticContact CE2-CE2 3.62Å; Y45-Y68 HydrophobicContact CE2-CE2 3.62Å; Y45-Y68 HydrophobicContact CG-CD2 4.02Å; Y45-Y68 AromaticContact CZ-CD2 3.51Å; Y45-Y68 AromaticContact CZ-CE2 3.51Å
46	F	87.8	Confident	82.4	Confident	48 Å²	48	49 Å²	49	21%	0.211	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-80	155.2	-179.4	-72.7	-99.5	0	0	0	112.9	F22 I44 I48 L51 A67 I69	F22-F46 HydrophobicContact CB-CD1 4.37Å; F22-F46 CarbonylContact O-C 3.57Å; F22-F46 WeakPolarHBondContact O-CA 3.32Å; F22-F46 WeakPolarHBondContact O-CD1 3.36Å; I44-F46 HydrophobicContact CG2-CE2 4.21Å; F46-I48 PolarHBondContact O-N 3.32Å; F46-I48 VanDerWaalsContact O-N 3.12Å; F46-L51 HydrophobicContact CB-CD1 3.83Å; F46-L51 HydrophobicContact CD1-CD1 4.42Å; F46-L51 HydrophobicContact CG-CD1 4.35Å; F46-A67 HydrophobicContact CB-CB 3.9Å; F46-A67 HydrophobicContact CD2-CB 4.29Å; F46-A67 HydrophobicContact CG-CB 4.34Å; F46-A67 PolarHBondContact N-O 3.18Å; F46-A67 VanDerWaalsContact N-O 3.11Å; F46-I69 HydrophobicContact CE2-CD1 3.74Å; F46-I69 HydrophobicContact CE2-CG1 3.93Å; F46-I69 HydrophobicContact CZ-CD1 3.97Å
47	N	87.1	Confident	82.6	Confident	32 Å²	32	48 Å²	48	17%	0.171	24%	0.244	C	C	.	.			trans	-77.2	93.2	170.6	-170.3	-61.6	0	0	0	109.1	F22 D49 K50 L51	F22-N47 PolarHBondContact O-N 2.78Å; N47-D49 VanDerWaalsContact C-N 3.29Å; N47-D49 PolarHBondContact O-N 3.49Å; N47-D49 PolarHBondContact OD1-N 2.84Å; N47-K50 HydrophobicContact CB-CB 4.36Å; N47-K50 HydrophobicContact CB-CD 4.26Å; N47-K50 PolarHBondContact O-N 3.27Å; N47-K50 WeakPolarHBondContact OD1-CB 3.3Å; N47-K50 WeakPolarHBondContact OD1-CG 3.42Å; N47-K50 PolarHBondContact OD1-N 2.78Å; N47-L51 PolarHBondContact O-N 2.78Å; N47-L51 VanDerWaalsContact O-N 3.13Å
48	I	87.7	Confident	82.9	Confident	41 Å²	41	45.8 Å²	45.8	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-41.3	-177.2	-70.5	166.8	0	0	0	111.5	F46 K50 L51 N52 F64	F46-I48 PolarHBondContact O-N 3.32Å; F46-I48 VanDerWaalsContact O-N 3.12Å; I48-K50 VanDerWaalsContact C-N 3.33Å; I48-K50 PolarHBondContact O-N 2.98Å; I48-L51 PolarHBondContact O-N 3.14Å; I48-N52 VanDerWaalsContact CG2-ND2 3.27Å; I48-N52 WeakPolarHBondContact CG2-ND2 3.41Å; I48-N52 WeakPolarHBondContact O-CB 3.48Å; I48-N52 PolarHBondContact O-N 3.31Å; I48-N52 PolarHBondContact O-ND2 2.85Å; I48-F64 HydrophobicContact CG2-CB 4.4Å; I48-F64 WeakPolarHBondContact CG2-O 3.18Å
49	D	84.2	Confident	82.9	Confident	112 Å²	112	46.1 Å²	46.1	60%	0.599	24%	0.24	S	C	*	.	H	α-helix	trans	-62.1	-40	-177.4	-52.7	-47.8	0	0	0	111.9	N47 N52 A53	N47-D49 VanDerWaalsContact C-N 3.29Å; N47-D49 PolarHBondContact O-N 3.49Å; N47-D49 PolarHBondContact OD1-N 2.84Å; D49-N52 PolarHBondContact O-N 3.25Å; D49-A53 WeakPolarHBondContact O-CB 3.41Å; D49-A53 PolarHBondContact O-N 3.04Å
50	K	84	Confident	83	Confident	84 Å²	84	49.1 Å²	49.1	37%	0.365	26%	0.256	S	S	.	.	H	α-helix	trans	-73.7	-34.5	175.4	-71.3	176.6	-175.1	-177.4	0	113.8	Q21 N47 I48 N52 A53 L54	Q21-K50 WeakPolarHBondContact O-CD 3.33Å; Q21-K50 WeakPolarHBondContact O-CE 3.39Å; Q21-K50 PolarHBondContact O-NZ 3.3Å; N47-K50 HydrophobicContact CB-CB 4.36Å; N47-K50 HydrophobicContact CB-CD 4.26Å; N47-K50 PolarHBondContact O-N 3.27Å; N47-K50 WeakPolarHBondContact OD1-CB 3.3Å; N47-K50 WeakPolarHBondContact OD1-CG 3.42Å; N47-K50 PolarHBondContact OD1-N 2.78Å; I48-K50 VanDerWaalsContact C-N 3.33Å; I48-K50 PolarHBondContact O-N 2.98Å; K50-N52 VanDerWaalsContact C-N 3.3Å; K50-A53 PolarHBondContact O-N 3.49Å; K50-L54 WeakPolarHBondContact O-CG 3.26Å; K50-L54 PolarHBondContact O-N 2.83Å
51	L	84.9	Confident	83.2	Confident	33 Å²	33	49.9 Å²	49.9	17%	0.173	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-42.8	171.7	-69.9	177.5	0	0	0	110.3	F46 N47 I48 L54 L55 F64 A67	F46-L51 HydrophobicContact CB-CD1 3.83Å; F46-L51 HydrophobicContact CD1-CD1 4.42Å; F46-L51 HydrophobicContact CG-CD1 4.35Å; N47-L51 PolarHBondContact O-N 2.78Å; N47-L51 VanDerWaalsContact O-N 3.13Å; I48-L51 PolarHBondContact O-N 3.14Å; L51-L54 PolarHBondContact O-N 2.94Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.15Å; L51-F64 HydrophobicContact CB-CD2 3.88Å; L51-F64 HydrophobicContact CB-CE2 4.37Å; L51-F64 HydrophobicContact CD1-CD2 4.18Å; L51-F64 HydrophobicContact CD1-CE2 4.41Å; L51-F64 HydrophobicContact CD1-CG 4.34Å; L51-A67 HydrophobicContact CD1-CB 4.07Å
52	N	86.7	Confident	83.3	Confident	15 Å²	15	51.5 Å²	51.5	8%	0.08	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-36.4	178.2	-67.2	-17.8	0	0	0	112.4	I48 D49 K50 L54 L55 S56 V63 F64	I48-N52 VanDerWaalsContact CG2-ND2 3.27Å; I48-N52 WeakPolarHBondContact CG2-ND2 3.41Å; I48-N52 WeakPolarHBondContact O-CB 3.48Å; I48-N52 PolarHBondContact O-N 3.31Å; I48-N52 PolarHBondContact O-ND2 2.85Å; D49-N52 PolarHBondContact O-N 3.25Å; K50-N52 VanDerWaalsContact C-N 3.3Å; N52-L54 VanDerWaalsContact C-N 3.33Å; N52-L54 PolarHBondContact O-N 2.72Å; N52-L55 PolarHBondContact O-N 2.89Å; N52-S56 WeakPolarHBondContact O-CB 3.47Å; N52-S56 PolarHBondContact O-N 2.87Å; N52-S56 PolarHBondContact O-OG 3.31Å; N52-V63 HydrophobicContact CB-CG2 4.12Å; N52-F64 PolarHBondContact ND2-O 2.74Å; N52-F64 PolarHBondContact OD1-N 3.43Å
53	A	82.1	Confident	83.4	Confident	39 Å²	39	49.4 Å²	49.4	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-56.1	-47.4	170.9	0	0	0	0	0	111.3	D49 K50 S56 E57	D49-A53 WeakPolarHBondContact O-CB 3.41Å; D49-A53 PolarHBondContact O-N 3.04Å; K50-A53 PolarHBondContact O-N 3.49Å; A53-S56 CarbonylContact O-C 3.56Å; A53-S56 PolarHBondContact O-N 2.91Å; A53-S56 VanDerWaalsContact O-N 3.15Å; A53-S56 PolarHBondContact O-OG 2.96Å; A53-E57 PolarHBondContact O-N 3.2Å
54	L	80.7	Confident	83.4	Confident	49 Å²	49	47.7 Å²	47.7	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-68.9	-33.8	179.3	-68	168.8	0	0	0	113.8	F22 K50 L51 N52 E57 S58 F105	F22-L54 HydrophobicContact CE1-CD1 3.81Å; K50-L54 WeakPolarHBondContact O-CG 3.26Å; K50-L54 PolarHBondContact O-N 2.83Å; L51-L54 PolarHBondContact O-N 2.94Å; N52-L54 VanDerWaalsContact C-N 3.33Å; N52-L54 PolarHBondContact O-N 2.72Å; L54-E57 WeakPolarHBondContact CD2-OE2 3.15Å; L54-S58 PolarHBondContact O-N 3.42Å; L54-S58 VanDerWaalsContact O-N 3.1Å; L54-S58 PolarHBondContact O-OG 3.05Å; L54-F105 HydrophobicContact CD1-CE1 4.17Å; L54-F105 HydrophobicContact CD1-CZ 4.46Å; L54-F105 HydrophobicContact CD2-CD1 4Å; L54-F105 HydrophobicContact CD2-CE1 3.65Å; L54-F105 HydrophobicContact CG-CE1 4.38Å
55	L	81.1	Confident	83.5	Confident	29 Å²	29	47.9 Å²	47.9	15%	0.152	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-40.2	169.7	-67.1	179.4	0	0	0	111.1	L51 N52 S58 G59 I60 V62 F64	L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.15Å; N52-L55 PolarHBondContact O-N 2.89Å; L55-S58 CarbonylContact O-C 3.59Å; L55-S58 PolarHBondContact O-N 3.48Å; L55-S58 PolarHBondContact O-OG 3.47Å; L55-G59 PolarHBondContact O-N 3.5Å; L55-I60 HydrophobicContact CD2-CB 4.21Å; L55-I60 HydrophobicContact CD2-CD1 4.02Å; L55-I60 HydrophobicContact CD2-CG2 4.25Å; L55-I60 PolarHBondContact O-N 3.32Å; L55-V62 VanDerWaalsContact CD1-O 3.23Å; L55-V62 WeakPolarHBondContact CD1-O 3.08Å; L55-F64 HydrophobicContact CD1-CD2 3.69Å; L55-F64 HydrophobicContact CD1-CE2 3.82Å
56	S	78.4	Confident	83.6	Confident	39 Å²	39	44.4 Å²	44.4	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-69.4	-36.3	176.4	76.6	0	0	0	0	113.6	N52 A53 G59	N52-S56 WeakPolarHBondContact O-CB 3.47Å; N52-S56 PolarHBondContact O-N 2.87Å; N52-S56 PolarHBondContact O-OG 3.31Å; A53-S56 CarbonylContact O-C 3.56Å; A53-S56 PolarHBondContact O-N 2.91Å; A53-S56 VanDerWaalsContact O-N 3.15Å; A53-S56 PolarHBondContact O-OG 2.96Å; S56-G59 WeakPolarHBondContact O-CA 3.37Å; S56-G59 PolarHBondContact O-N 3.42Å
57	E	72.4	Confident	83.8	Confident	80 Å²	80	42.3 Å²	42.3	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-64.6	-40.9	174.7	-171.9	-170.9	176.3	0	0	111.2	A53 L54 G59 N106	A53-E57 PolarHBondContact O-N 3.2Å; L54-E57 WeakPolarHBondContact CD2-OE2 3.15Å; E57-G59 PolarHBondContact O-N 3.1Å; E57-N106 PolarHBondContact OE1-ND2 3.29Å
58	S	73.4	Confident	84.1	Confident	59 Å²	59	43 Å²	43	41%	0.413	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	1.7	172.9	54.6	0	0	0	0	114	L54 L55 I60	L54-S58 PolarHBondContact O-N 3.42Å; L54-S58 VanDerWaalsContact O-N 3.1Å; L54-S58 PolarHBondContact O-OG 3.05Å; L55-S58 CarbonylContact O-C 3.59Å; L55-S58 PolarHBondContact O-N 3.48Å; L55-S58 PolarHBondContact O-OG 3.47Å; S58-I60 PolarHBondContact O-N 2.91Å; S58-I60 WeakPolarHBondContact OG-CD1 3.34Å
59	G	75.6	Confident	84.3	Confident	8 Å²	8	41.7 Å²	41.7	8%	0.082	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	9.2	179.3	0	0	0	0	0	115.2	L55 S56 E57 Y457	L55-G59 PolarHBondContact O-N 3.5Å; S56-G59 WeakPolarHBondContact O-CA 3.37Å; S56-G59 PolarHBondContact O-N 3.42Å; E57-G59 PolarHBondContact O-N 3.1Å; G59-Y457 WeakPolarHBondContact O-CD2 3.25Å; G59-Y457 VanDerWaalsContact O-CE2 3.26Å; G59-Y457 WeakPolarHBondContact O-CE2 3.18Å
60	I	80.6	Confident	84.6	Confident	64 Å²	64	37.8 Å²	37.8	33%	0.328	22%	0.215	S	C	.	.			trans	-68.4	125.7	-174.8	-63.2	175.9	0	0	0	108.6	L55 S58 V62 Y457	L55-I60 HydrophobicContact CD2-CB 4.21Å; L55-I60 HydrophobicContact CD2-CD1 4.02Å; L55-I60 HydrophobicContact CD2-CG2 4.25Å; L55-I60 PolarHBondContact O-N 3.32Å; S58-I60 PolarHBondContact O-N 2.91Å; S58-I60 WeakPolarHBondContact OG-CD1 3.34Å; I60-V62 HydrophobicContact CG2-CB 4.06Å; I60-V62 HydrophobicContact CG2-CG2 3.98Å; I60-V62 PolarHBondContact O-N 2.87Å; I60-Y457 HydrophobicContact CG1-CE2 4.49Å
61	P	84.8	Confident	84.9	Confident	17 Å²	17	35.2 Å²	35.2	11%	0.11	20%	0.204	C	C	.	.	S	Bend	trans	-81	49.4	-171.3	35.4	-39.9	0	0	0	112.7	I92 V95 I453 Y457	P61-I92 PolarHBondContact O-N 3.22Å; P61-V95 HydrophobicContact CB-CG2 4.42Å; P61-I453 HydrophobicContact CB-CG2 3.57Å; P61-I453 HydrophobicContact CG-CG2 3.45Å; P61-I453 VanDerWaalsContact CG-CG2 3.45Å; P61-Y457 HydrophobicContact CG-CG 4.42Å
62	V	86.7	Confident	85	Confident	42 Å²	42	34.7 Å²	34.7	26%	0.255	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.6	-173	-178	0	0	0	0	109.9	L55 I60 V89 Q90	L55-V62 VanDerWaalsContact CD1-O 3.23Å; L55-V62 WeakPolarHBondContact CD1-O 3.08Å; I60-V62 HydrophobicContact CG2-CB 4.06Å; I60-V62 HydrophobicContact CG2-CG2 3.98Å; I60-V62 PolarHBondContact O-N 2.87Å; V62-V89 HydrophobicContact CG1-CB 3.68Å; V62-V89 HydrophobicContact CG1-CG1 4.23Å; V62-V89 HydrophobicContact CG1-CG2 4.24Å; V62-Q90 CarbonylContact C-O 3.45Å; V62-Q90 VanDerWaalsContact CA-O 3.31Å; V62-Q90 WeakPolarHBondContact CA-O 3.49Å
63	V	89.3	Confident	85	Confident	29 Å²	29	34.2 Å²	34.2	18%	0.176	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.2	174	139.4	0	0	0	0	110.1	N52 C65 V89 Q90 I92	N52-V63 HydrophobicContact CB-CG2 4.12Å; V63-C65 PolarHBondContact O-N 3.45Å; V63-V89 CarbonylContact O-C 3.59Å; V63-V89 VanDerWaalsContact O-CA 3.31Å; V63-V89 WeakPolarHBondContact O-CA 3.48Å; V63-Q90 PolarHBondContact N-O 2.99Å; V63-Q90 PolarHBondContact O-N 2.97Å; V63-I92 HydrophobicContact CB-CD1 3.76Å; V63-I92 HydrophobicContact CB-CG1 4.42Å; V63-I92 HydrophobicContact CG2-CD1 3.52Å
64	F	89	Confident	85	Confident	38 Å²	38	34.3 Å²	34.3	17%	0.167	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.8	165.1	-77.3	-85.4	0	0	0	110	I48 L51 N52 L55 A67 F87 V89	I48-F64 HydrophobicContact CG2-CB 4.4Å; I48-F64 WeakPolarHBondContact CG2-O 3.18Å; L51-F64 HydrophobicContact CB-CD2 3.88Å; L51-F64 HydrophobicContact CB-CE2 4.37Å; L51-F64 HydrophobicContact CD1-CD2 4.18Å; L51-F64 HydrophobicContact CD1-CE2 4.41Å; L51-F64 HydrophobicContact CD1-CG 4.34Å; N52-F64 PolarHBondContact ND2-O 2.74Å; N52-F64 PolarHBondContact OD1-N 3.43Å; L55-F64 HydrophobicContact CD1-CD2 3.69Å; L55-F64 HydrophobicContact CD1-CE2 3.82Å; F64-A67 HydrophobicContact CD1-CB 4.07Å; F64-F87 HydrophobicContact CE1-CB 4.35Å; F64-F87 HydrophobicContact CE1-CD2 4.2Å; F64-F87 HydrophobicContact CE1-CG 4.24Å; F64-V89 HydrophobicContact CD1-CG1 3.46Å; F64-V89 VanDerWaalsContact CD1-CG1 3.46Å; F64-V89 HydrophobicContact CD2-CG1 4.42Å; F64-V89 HydrophobicContact CE1-CG1 3.51Å; F64-V89 HydrophobicContact CE2-CG1 4.47Å; F64-V89 HydrophobicContact CG-CG1 3.95Å; F64-V89 HydrophobicContact CZ-CG1 4.04Å
65	C	89.2	Confident	84.9	Confident	16 Å²	16	33.1 Å²	33.1	11%	0.108	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-33.8	168.9	-77.7	0	0	0	0	112.2	V63 V88	V63-C65 PolarHBondContact O-N 3.45Å; C65-V88 HydrophobicContact CB-CB 4.45Å; C65-V88 HydrophobicContact CB-CG1 4.22Å; C65-V88 PolarHBondContact N-O 3.04Å
66	V	90.2	Very high	84.3	Confident	59 Å²	59	33 Å²	33	36%	0.358	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.2	175	-176.9	0	0	0	0	109	V88	V66-V88 HydrophobicContact CB-CB 3.88Å; V66-V88 HydrophobicContact CB-CG2 3.85Å; V66-V88 HydrophobicContact CG2-CB 4.1Å; V66-V88 HydrophobicContact CG2-CG2 4.01Å; V66-V88 PolarHBondContact N-O 3.26Å; V66-V88 PolarHBondContact O-N 3.43Å
67	A	91.4	Very high	83.3	Confident	4 Å²	4	34.7 Å²	34.7	3%	0.033	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	105.5	170.1	0	0	0	0	0	110.3	F46 L51 F64 F87	F46-A67 HydrophobicContact CB-CB 3.9Å; F46-A67 HydrophobicContact CD2-CB 4.29Å; F46-A67 HydrophobicContact CG-CB 4.34Å; F46-A67 PolarHBondContact N-O 3.18Å; F46-A67 VanDerWaalsContact N-O 3.11Å; L51-A67 HydrophobicContact CD1-CB 4.07Å; F64-A67 HydrophobicContact CD1-CB 4.07Å; A67-F87 HydrophobicContact CB-CD1 4.1Å; A67-F87 HydrophobicContact CB-CE1 4.21Å
68	Y	93.1	Very high	83.3	Confident	47 Å²	47	32.7 Å²	32.7	18%	0.184	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.4	-174.2	170.5	-104.7	0	0	0	112.2	D43 I44 Y45 A70 D86	D43-Y68 PolarHBondContact OD1-OH 2.79Å; D43-Y68 VanDerWaalsContact OD1-OH 3.09Å; I44-Y68 WeakPolarHBondContact O-CA 3.26Å; Y45-Y68 AromaticContact CD1-CD2 3.74Å; Y45-Y68 HydrophobicContact CD1-CD2 3.74Å; Y45-Y68 HydrophobicContact CD1-CG 4.5Å; Y45-Y68 HydrophobicContact CD2-CD2 4.05Å; Y45-Y68 HydrophobicContact CD2-CE2 4.2Å; Y45-Y68 AromaticContact CE1-CD2 3.48Å; Y45-Y68 HydrophobicContact CE1-CD2 3.48Å; Y45-Y68 VanDerWaalsContact CE1-CD2 3.48Å; Y45-Y68 HydrophobicContact CE1-CE2 4Å; Y45-Y68 HydrophobicContact CE1-CG 4.21Å; Y45-Y68 AromaticContact CE2-CD2 3.8Å; Y45-Y68 HydrophobicContact CE2-CD2 3.8Å; Y45-Y68 AromaticContact CE2-CE2 3.62Å; Y45-Y68 HydrophobicContact CE2-CE2 3.62Å; Y45-Y68 HydrophobicContact CG-CD2 4.02Å; Y45-Y68 AromaticContact CZ-CD2 3.51Å; Y45-Y68 AromaticContact CZ-CE2 3.51Å; Y68-A70 HydrophobicContact CE1-CB 3.87Å; Y68-A70 WeakPolarHBondContact OH-CA 3.05Å; Y68-D86 HydrophobicContact CD1-CB 4.45Å; Y68-D86 PolarHBondContact N-O 3.39Å; Y68-D86 PolarHBondContact O-N 2.73Å
69	I	91.8	Very high	83.7	Confident	13 Å²	13	31.5 Å²	31.5	7%	0.067	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	123.6	170.9	-62.4	178.8	0	0	0	109.8	I44 F46 V72 I82 G84 I85 F87	I44-I69 HydrophobicContact CB-CB 4.3Å; I44-I69 WeakPolarHBondContact CB-O 3.48Å; I44-I69 PolarHBondContact N-O 3.46Å; I44-I69 PolarHBondContact O-N 2.67Å; F46-I69 HydrophobicContact CE2-CD1 3.74Å; F46-I69 HydrophobicContact CE2-CG1 3.93Å; F46-I69 HydrophobicContact CZ-CD1 3.97Å; I69-V72 HydrophobicContact CG2-CG2 3.71Å; I69-I82 HydrophobicContact CD1-CG2 4.21Å; I69-I82 HydrophobicContact CG2-CG2 3.51Å; I69-G84 CarbonylContact C-O 3.51Å; I69-G84 WeakPolarHBondContact CA-O 3.38Å; I69-I85 HydrophobicContact CG1-CG1 4.19Å; I69-I85 HydrophobicContact CG1-CG2 4.32Å; I69-F87 HydrophobicContact CD1-CZ 4.46Å; I69-F87 HydrophobicContact CG1-CE1 4.26Å
70	A	91.9	Very high	84.2	Confident	29 Å²	29	32.7 Å²	32.7	24%	0.24	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-38.3	-176.1	0	0	0	0	0	114.5	K42 D43 Y68 K83 G84	K42-A70 VanDerWaalsContact CA-O 3.28Å; K42-A70 WeakPolarHBondContact CA-O 3.4Å; D43-A70 PolarHBondContact N-O 3.26Å; Y68-A70 HydrophobicContact CE1-CB 3.87Å; Y68-A70 WeakPolarHBondContact OH-CA 3.05Å; A70-K83 PolarHBondContact N-O 2.81Å; A70-G84 PolarHBondContact N-O 2.76Å
71	E	90.1	Very high	84.6	Confident	30 Å²	30	32 Å²	32	14%	0.14	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	137	178	-170.5	178.4	-104.8	0	0	111.9	I33 C41 K42 V73 I82 K83	I33-E71 HydrophobicContact CD1-CG 3.97Å; C41-E71 WeakPolarHBondContact O-CA 3.34Å; K42-E71 WeakPolarHBondContact CE-OE1 3.47Å; K42-E71 HydrophobicContact CG-CB 4.4Å; K42-E71 HydrophobicContact CG-CG 4.15Å; K42-E71 IonicContact NZ-OE1 2.66Å; K42-E71 PolarHBondContact NZ-OE1 3.36Å; E71-V73 HydrophobicContact CG-CG2 3.87Å; E71-I82 CarbonylContact O-C 3.51Å; E71-I82 WeakPolarHBondContact O-CA 3.47Å; E71-K83 HydrophobicContact CB-CB 4.29Å; E71-K83 PolarHBondContact N-O 3.46Å; E71-K83 PolarHBondContact O-N 3.3Å; E71-K83 IonicContact OE2-NZ 3.96Å; E71-K83 PolarHBondContact OE2-NZ 3.44Å
72	V	87.7	Confident	85	Confident	22 Å²	22	32.6 Å²	32.6	13%	0.133	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130	167.4	176.9	0	0	0	0	108.3	G40 C41 I44 I69 V80 E81 I82	G40-V72 CarbonylContact C-O 3.55Å; G40-V72 WeakPolarHBondContact CA-O 3.41Å; C41-V72 PolarHBondContact N-O 3.44Å; C41-V72 PolarHBondContact O-N 3.37Å; I44-V72 HydrophobicContact CD1-CB 4.08Å; I44-V72 HydrophobicContact CD1-CG2 3.56Å; I69-V72 HydrophobicContact CG2-CG2 3.71Å; V72-V80 HydrophobicContact CG1-CG1 4.36Å; V72-E81 CarbonylContact C-O 3.56Å; V72-E81 WeakPolarHBondContact CA-O 3.28Å; V72-I82 HydrophobicContact CG1-CG1 4.43Å; V72-I82 HydrophobicContact CG2-CG1 4.26Å; V72-I82 HydrophobicContact CG2-CG2 4.13Å
73	V	85.9	Confident	85.2	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.4	177.7	-171.9	0	0	0	0	110.1	I33 T35 E71 V80 E81	I33-V73 HydrophobicContact CD1-CG2 4.01Å; T35-V73 HydrophobicContact CG2-CG1 4.22Å; E71-V73 HydrophobicContact CG-CG2 3.87Å; V73-V80 WeakPolarHBondContact O-CA 3.47Å; V73-E81 PolarHBondContact N-O 2.93Å; V73-E81 PolarHBondContact O-N 2.86Å
74	I	81.9	Confident	85.4	Confident	42 Å²	42	32.4 Å²	32.4	22%	0.215	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.9	173.9	-53.7	177.2	0	0	0	108.1	G38 I39 V80	G38-I74 CarbonylContact C-O 3.5Å; G38-I74 WeakPolarHBondContact CA-O 3.18Å; I39-I74 PolarHBondContact N-O 2.84Å; I39-I74 PolarHBondContact O-N 3.46Å; I74-V80 HydrophobicContact CG1-CG2 4.41Å
75	S	78.5	Confident	85.7	Confident	24 Å²	24	31.2 Å²	31.2	17%	0.168	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.2	-177.7	-57.5	0	0	0	0	111.5	N37 S79	N37-S75 WeakPolarHBondContact O-CA 3.46Å; N37-S75 WeakPolarHBondContact O-CB 3.45Å; S75-S79 PolarHBondContact N-O 3.46Å; S75-S79 PolarHBondContact O-N 3Å
76	L	68.5	Low	85.9	Confident	26 Å²	26	33.3 Å²	33.3	14%	0.136	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	144.2	177.7	-68.8	175.2	0	0	0	111.6	W4 N37 A160 Y161 F164	W4-L76 HydrophobicContact CH2-CD1 3.72Å; W4-L76 HydrophobicContact CH2-CG 3.71Å; W4-L76 HydrophobicContact CZ2-CB 4.44Å; W4-L76 HydrophobicContact CZ2-CD1 3.69Å; W4-L76 HydrophobicContact CZ2-CG 3.73Å; N37-L76 PolarHBondContact O-N 3.37Å; L76-A160 HydrophobicContact CD2-CB 3.87Å; L76-Y161 HydrophobicContact CD1-CD1 3.57Å; L76-Y161 HydrophobicContact CD1-CE1 3.38Å; L76-Y161 HydrophobicContact CD1-CG 4.3Å; L76-F164 HydrophobicContact CD2-CD2 4.05Å; L76-F164 HydrophobicContact CD2-CE2 3.77Å
77	P	56.6	Low	86.1	Confident	74 Å²	74	33.1 Å²	33.1	48%	0.481	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	cis	-68.5	-59.5	7.8	-21.1	34	0	0	0	114.2
78	W	72.6	Confident	86.3	Confident	38 Å²	38	33.6 Å²	33.6	14%	0.144	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.3	84.9	176.2	-59.1	101.4	0	0	0	110.1	A160 F163 F164 L200 T204 T205	W78-A160 HydrophobicContact CZ2-CB 4.17Å; W78-F163 AromaticContact CH2-CD1 3.72Å; W78-F163 HydrophobicContact CH2-CD1 3.72Å; W78-F163 AromaticContact CH2-CE1 3.85Å; W78-F163 HydrophobicContact CH2-CE1 3.85Å; W78-F163 HydrophobicContact CZ2-CD1 4.36Å; W78-F164 HydrophobicContact CH2-CD2 4.4Å; W78-F164 AromaticContact CH2-CE2 3.71Å; W78-F164 HydrophobicContact CH2-CE2 3.71Å; W78-F164 HydrophobicContact CH2-CZ 4.44Å; W78-F164 AromaticContact CZ3-CE2 3.81Å; W78-F164 HydrophobicContact CZ3-CE2 3.81Å; W78-F164 HydrophobicContact CZ3-CZ 4.2Å; W78-L200 HydrophobicContact CD2-CD2 4.09Å; W78-L200 VanDerWaalsContact CE2-CD2 3.48Å; W78-L200 HydrophobicContact CG-CD2 4.44Å; W78-L200 HydrophobicContact CH2-CD1 4.01Å; W78-L200 HydrophobicContact CZ2-CD1 3.96Å; W78-L200 HydrophobicContact CZ2-CD2 3.77Å; W78-L200 HydrophobicContact CZ2-CG 4.49Å; W78-L200 HydrophobicContact CZ3-CD1 4.43Å; W78-T204 WeakPolarHBondContact O-CA 3.42Å; W78-T205 PolarHBondContact O-N 3.04Å; W78-T205 PolarHBondContact O-OG1 2.81Å; W78-T205 VanDerWaalsContact O-OG1 3.12Å
79	S	82.8	Confident	86.2	Confident	35 Å²	35	32.4 Å²	32.4	25%	0.245	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	123.7	175.9	-158.6	0	0	0	0	110.8	S75 T205	S75-S79 PolarHBondContact N-O 3.46Å; S75-S79 PolarHBondContact O-N 3Å; S79-T205 CarbonylContact C-O 3.58Å; S79-T205 WeakPolarHBondContact CA-O 3.29Å; S79-T205 WeakPolarHBondContact CA-OG1 3.47Å; S79-T205 WeakPolarHBondContact CB-OG1 3.4Å; S79-T205 PolarHBondContact OG-OG1 2.94Å
80	V	85.8	Confident	86.2	Confident	33 Å²	33	32.5 Å²	32.5	20%	0.2	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	107.5	178.5	-176.4	0	0	0	0	108.2	V72 V73 I74 I82 T204 T205 I206 V207	V72-V80 HydrophobicContact CG1-CG1 4.36Å; V73-V80 WeakPolarHBondContact O-CA 3.47Å; I74-V80 HydrophobicContact CG1-CG2 4.41Å; V80-I82 HydrophobicContact CG1-CD1 4.34Å; V80-I82 HydrophobicContact CG1-CG1 4.03Å; V80-T204 HydrophobicContact CG2-CG2 3.99Å; V80-T205 PolarHBondContact N-O 3.28Å; V80-I206 CarbonylContact O-C 3.57Å; V80-I206 WeakPolarHBondContact O-CA 3.23Å; V80-V207 PolarHBondContact O-N 3.23Å
81	E	89.7	Confident	86	Confident	49 Å²	49	31.3 Å²	31.3	23%	0.229	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126	172.4	-170.7	175.8	-138.1	0	0	109.7	V72 V73 K83 V207 R209	V72-E81 CarbonylContact C-O 3.56Å; V72-E81 WeakPolarHBondContact CA-O 3.28Å; V73-E81 PolarHBondContact N-O 2.93Å; V73-E81 PolarHBondContact O-N 2.86Å; E81-K83 VanDerWaalsContact CD-CE 3.43Å; E81-K83 HydrophobicContact CG-CG 4.33Å; E81-K83 IonicContact OE1-NZ 2.84Å; E81-K83 VanDerWaalsContact OE2-CE 3.29Å; E81-K83 WeakPolarHBondContact OE2-CE 3.46Å; E81-K83 IonicContact OE2-NZ 3.65Å; E81-K83 PolarHBondContact OE2-NZ 3.05Å; E81-V207 CarbonylContact C-O 3.54Å; E81-V207 VanDerWaalsContact CA-O 3.27Å; E81-V207 WeakPolarHBondContact CA-O 3.47Å; E81-V207 HydrophobicContact CB-CB 4.47Å; E81-V207 HydrophobicContact CG-CB 4.26Å; E81-V207 HydrophobicContact CG-CG1 4.24Å; E81-R209 IonicContact OE1-CZ 3.17Å; E81-R209 IonicContact OE1-NE 3.74Å; E81-R209 PolarHBondContact OE1-NE 3.21Å; E81-R209 IonicContact OE1-NH2 2.73Å; E81-R209 PolarHBondContact OE1-NH2 2.87Å
82	I	91.6	Very high	85.5	Confident	30 Å²	30	31.9 Å²	31.9	15%	0.154	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.1	176.8	-52.9	-174.1	0	0	0	107.5	I69 E71 V72 V80 I85 V207 L208 R209	I69-I82 HydrophobicContact CD1-CG2 4.21Å; I69-I82 HydrophobicContact CG2-CG2 3.51Å; E71-I82 CarbonylContact O-C 3.51Å; E71-I82 WeakPolarHBondContact O-CA 3.47Å; V72-I82 HydrophobicContact CG1-CG1 4.43Å; V72-I82 HydrophobicContact CG2-CG1 4.26Å; V72-I82 HydrophobicContact CG2-CG2 4.13Å; V80-I82 HydrophobicContact CG1-CD1 4.34Å; V80-I82 HydrophobicContact CG1-CG1 4.03Å; I82-I85 HydrophobicContact CB-CD1 4.44Å; I82-I85 HydrophobicContact CG2-CD1 3.7Å; I82-I85 HydrophobicContact CG2-CG1 3.61Å; I82-V207 PolarHBondContact N-O 3.44Å; I82-L208 HydrophobicContact CB-CD2 3.85Å; I82-L208 HydrophobicContact CD1-CD2 3.9Å; I82-L208 HydrophobicContact CG1-CD2 4.05Å; I82-L208 CarbonylContact O-C 3.59Å; I82-L208 VanDerWaalsContact O-CA 3.31Å; I82-L208 WeakPolarHBondContact O-CA 3.45Å; I82-R209 PolarHBondContact O-N 3.21Å
83	K	92.5	Very high	84.4	Confident	46 Å²	46	33.1 Å²	33.1	20%	0.2	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.5	179.5	-47.9	-169.9	-175.3	66.8	0	111.4	A70 E71 E81 R209	A70-K83 PolarHBondContact N-O 2.81Å; E71-K83 HydrophobicContact CB-CB 4.29Å; E71-K83 PolarHBondContact N-O 3.46Å; E71-K83 PolarHBondContact O-N 3.3Å; E71-K83 IonicContact OE2-NZ 3.96Å; E71-K83 PolarHBondContact OE2-NZ 3.44Å; E81-K83 VanDerWaalsContact CD-CE 3.43Å; E81-K83 HydrophobicContact CG-CG 4.33Å; E81-K83 IonicContact OE1-NZ 2.84Å; E81-K83 VanDerWaalsContact OE2-CE 3.29Å; E81-K83 WeakPolarHBondContact OE2-CE 3.46Å; E81-K83 IonicContact OE2-NZ 3.65Å; E81-K83 PolarHBondContact OE2-NZ 3.05Å; K83-R209 CarbonylContact C-O 3.6Å; K83-R209 WeakPolarHBondContact CA-O 3.43Å; K83-R209 HydrophobicContact CB-CB 4.35Å; K83-R209 HydrophobicContact CG-CB 4.12Å; K83-R209 HydrophobicContact CG-CG 4.43Å
84	G	93.2	Very high	83.2	Confident	20 Å²	20	38.3 Å²	38.3	21%	0.206	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.1	56.4	173.7	0	0	0	0	0	111.8	I69 A70 R209 D210	I69-G84 CarbonylContact C-O 3.51Å; I69-G84 WeakPolarHBondContact CA-O 3.38Å; A70-G84 PolarHBondContact N-O 2.76Å; G84-R209 PolarHBondContact N-O 2.82Å; G84-D210 CarbonylContact C-O 3.52Å; G84-D210 VanDerWaalsContact CA-O 3.23Å; G84-D210 WeakPolarHBondContact CA-O 2.9Å; G84-D210 PolarHBondContact N-O 3.46Å
85	I	94.4	Very high	81.7	Confident	13 Å²	13	38.6 Å²	38.6	7%	0.067	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.2	171.5	-53.6	-178.3	0	0	0	107	I69 I82 F87 L208 D210 V211 S212	I69-I85 HydrophobicContact CG1-CG1 4.19Å; I69-I85 HydrophobicContact CG1-CG2 4.32Å; I82-I85 HydrophobicContact CB-CD1 4.44Å; I82-I85 HydrophobicContact CG2-CD1 3.7Å; I82-I85 HydrophobicContact CG2-CG1 3.61Å; I85-F87 HydrophobicContact CG2-CD1 3.75Å; I85-F87 HydrophobicContact CG2-CD2 4.15Å; I85-F87 HydrophobicContact CG2-CE1 3.68Å; I85-F87 HydrophobicContact CG2-CE2 4.09Å; I85-F87 HydrophobicContact CG2-CG 4Å; I85-F87 HydrophobicContact CG2-CZ 3.86Å; I85-L208 HydrophobicContact CD1-CB 4.43Å; I85-L208 HydrophobicContact CD1-CD1 4.1Å; I85-L208 HydrophobicContact CD1-CD2 4.22Å; I85-L208 HydrophobicContact CD1-CG 4.49Å; I85-D210 PolarHBondContact N-O 3.14Å; I85-D210 VanDerWaalsContact N-O 3.14Å; I85-V211 HydrophobicContact CB-CG1 4.19Å; I85-V211 HydrophobicContact CB-CG2 4.47Å; I85-V211 HydrophobicContact CD1-CG1 4.39Å; I85-V211 HydrophobicContact CD1-CG2 4Å; I85-V211 HydrophobicContact CG1-CG2 4.33Å; I85-V211 HydrophobicContact CG2-CG1 4.5Å; I85-S212 WeakPolarHBondContact O-CB 3.43Å; I85-S212 PolarHBondContact O-N 3.21Å
86	D	94.5	Very high	80.2	Confident	61 Å²	61	40.9 Å²	40.9	33%	0.326	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	104.2	172	-169.2	37.1	0	0	0	110.5	Y68 S212	Y68-D86 HydrophobicContact CD1-CB 4.45Å; Y68-D86 PolarHBondContact N-O 3.39Å; Y68-D86 PolarHBondContact O-N 2.73Å; D86-S212 WeakPolarHBondContact OD1-CB 3.35Å; D86-S212 PolarHBondContact OD1-OG 2.84Å
87	F	94.4	Very high	79	Confident	54 Å²	54	44.4 Å²	44.4	24%	0.237	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.3	-177.7	-71.6	-2.4	0	0	0	109.8	F64 A67 I69 I85 S212 I213 R214	F64-F87 HydrophobicContact CE1-CB 4.35Å; F64-F87 HydrophobicContact CE1-CD2 4.2Å; F64-F87 HydrophobicContact CE1-CG 4.24Å; A67-F87 HydrophobicContact CB-CD1 4.1Å; A67-F87 HydrophobicContact CB-CE1 4.21Å; I69-F87 HydrophobicContact CD1-CZ 4.46Å; I69-F87 HydrophobicContact CG1-CE1 4.26Å; I85-F87 HydrophobicContact CG2-CD1 3.75Å; I85-F87 HydrophobicContact CG2-CD2 4.15Å; I85-F87 HydrophobicContact CG2-CE1 3.68Å; I85-F87 HydrophobicContact CG2-CE2 4.09Å; I85-F87 HydrophobicContact CG2-CG 4Å; I85-F87 HydrophobicContact CG2-CZ 3.86Å; F87-S212 PolarHBondContact N-O 2.84Å; F87-I213 WeakPolarHBondContact O-CA 3.48Å; F87-R214 PolarHBondContact O-N 3.34Å
88	V	94	Very high	78.4	Confident	15 Å²	15	44.7 Å²	44.7	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120	172.9	-174.7	0	0	0	0	108.7	C65 V66 R214 E216	C65-V88 HydrophobicContact CB-CB 4.45Å; C65-V88 HydrophobicContact CB-CG1 4.22Å; C65-V88 PolarHBondContact N-O 3.04Å; V66-V88 HydrophobicContact CB-CB 3.88Å; V66-V88 HydrophobicContact CB-CG2 3.85Å; V66-V88 HydrophobicContact CG2-CB 4.1Å; V66-V88 HydrophobicContact CG2-CG2 4.01Å; V66-V88 PolarHBondContact N-O 3.26Å; V66-V88 PolarHBondContact O-N 3.43Å; V88-R214 HydrophobicContact CB-CB 4.41Å; V88-R214 HydrophobicContact CG1-CB 4.26Å; V88-R214 HydrophobicContact CG1-CG 4.07Å; V88-R214 HydrophobicContact CG2-CB 4.1Å; V88-R214 HydrophobicContact CG2-CG 4.49Å; V88-E216 HydrophobicContact CG1-CG 3.98Å
89	V	92.8	Very high	77	Confident	22 Å²	22	47.3 Å²	47.3	13%	0.133	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.5	177.6	-65.5	0	0	0	0	111.1	V62 V63 F64 R214 I215 E216	V62-V89 HydrophobicContact CG1-CB 3.68Å; V62-V89 HydrophobicContact CG1-CG1 4.23Å; V62-V89 HydrophobicContact CG1-CG2 4.24Å; V63-V89 CarbonylContact O-C 3.59Å; V63-V89 VanDerWaalsContact O-CA 3.31Å; V63-V89 WeakPolarHBondContact O-CA 3.48Å; F64-V89 HydrophobicContact CD1-CG1 3.46Å; F64-V89 VanDerWaalsContact CD1-CG1 3.46Å; F64-V89 HydrophobicContact CD2-CG1 4.42Å; F64-V89 HydrophobicContact CE1-CG1 3.51Å; F64-V89 HydrophobicContact CE2-CG1 4.47Å; F64-V89 HydrophobicContact CG-CG1 3.95Å; F64-V89 HydrophobicContact CZ-CG1 4.04Å; V89-R214 WeakPolarHBondContact CG2-O 3.19Å; V89-R214 PolarHBondContact N-O 2.66Å; V89-I215 HydrophobicContact CG2-CB 4.46Å; V89-I215 HydrophobicContact CG2-CG1 3.97Å; V89-I215 CarbonylContact O-C 3.58Å; V89-I215 WeakPolarHBondContact O-CA 3.46Å; V89-E216 PolarHBondContact O-N 3.45Å
90	Q	91.1	Very high	75	Confident	14 Å²	14	49.8 Å²	49.8	7%	0.065	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.7	179	178.4	175.7	1	0	0	110.4	V62 V63 E216 T349	V62-Q90 CarbonylContact C-O 3.45Å; V62-Q90 VanDerWaalsContact CA-O 3.31Å; V62-Q90 WeakPolarHBondContact CA-O 3.49Å; V63-Q90 PolarHBondContact N-O 2.99Å; V63-Q90 PolarHBondContact O-N 2.97Å; Q90-E216 WeakPolarHBondContact CA-O 3.48Å; Q90-E216 HydrophobicContact CB-CB 4.39Å; Q90-T349 VanDerWaalsContact CD-OG1 3.3Å; Q90-T349 PolarHBondContact NE2-OG1 3.42Å; Q90-T349 PolarHBondContact OE1-OG1 3.05Å; Q90-T349 VanDerWaalsContact OE1-OG1 3.09Å
91	A	86.7	Confident	72.9	Confident	5 Å²	5	52.2 Å²	52.2	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139	172.3	0	0	0	0	0	111.8	E216 L450 I453	A91-E216 PolarHBondContact N-O 3.21Å; A91-L450 HydrophobicContact CB-CD2 3.53Å; A91-I453 HydrophobicContact CB-CD1 4.08Å
92	I	80.5	Confident	70.8	Confident	41 Å²	41	52.6 Å²	52.6	21%	0.21	33%	0.333	C	S	.	.			trans	-123.1	146.7	-173.9	-30.2	173.4	0	0	0	109.4	P61 V63 I453	P61-I92 PolarHBondContact O-N 3.22Å; V63-I92 HydrophobicContact CB-CD1 3.76Å; V63-I92 HydrophobicContact CB-CG1 4.42Å; V63-I92 HydrophobicContact CG2-CD1 3.52Å; I92-I453 WeakPolarHBondContact O-CG2 3.26Å
93	S	64.8	Low	68.7	Low	49 Å²	49	59.7 Å²	59.7	34%	0.343	37%	0.365	S	S	.	.	S	Bend	trans	-98.4	-4.4	176.8	-165.4	0	0	0	0	114
94	E	60.3	Low	66.6	Low	114 Å²	114	63.7 Å²	63.7	53%	0.533	39%	0.388	S	S	.	.			trans	-116.5	105.7	-178.7	-65.3	-173.7	136.9	0	0	109.2	S96 N347	E94-S96 PolarHBondContact O-N 3.5Å; E94-N347 PolarHBondContact OE2-ND2 3.23Å
95	V	51.4	Low	64.3	Low	47 Å²	47	64.1 Å²	64.1	29%	0.285	38%	0.384	S	S	.	.			trans	-76.6	104.6	172.8	-177.4	0	0	0	0	108.4	P61 S97	P61-V95 HydrophobicContact CB-CG2 4.42Å; V95-S97 PolarHBondContact O-N 3.06Å
96	S	45.4	Very low	62.2	Low	73 Å²	73	67.3 Å²	67.3	51%	0.51	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-62.8	123.5	172.9	56.2	0	0	0	0	110.3	E94	E94-S96 PolarHBondContact O-N 3.5Å
97	S	43.7	Very low	59.9	Low	100 Å²	100	68 Å²	68	70%	0.699	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-58.6	135.2	175.4	58	0	0	0	0	111.1	V95 S99	V95-S97 PolarHBondContact O-N 3.06Å; S97-S99 PolarHBondContact O-N 3.02Å
98	P	44.7	Very low	57.5	Low	80 Å²	80	70.1 Å²	70.1	52%	0.519	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-61.3	126.2	-176.3	24	-33.9	0	0	0	111.7	G100	P98-G100 PolarHBondContact O-N 3Å
99	S	42.2	Very low	55.4	Low	92 Å²	92	72.4 Å²	72.4	64%	0.643	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-69.7	117	167.9	172.1	0	0	0	0	108.6	S97 T101	S97-S99 PolarHBondContact O-N 3.02Å; S99-T101 PolarHBondContact O-N 3.01Å; S99-T101 PolarHBondContact O-OG1 3.44Å
100	G	41	Very low	53.1	Low	87 Å²	87	73.3 Å²	73.3	90%	0.897	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	58.4	-173.6	0	0	0	0	0	115.1	P98	P98-G100 PolarHBondContact O-N 3Å
101	T	41.5	Very low	50.9	Low	85 Å²	85	76 Å²	76	52%	0.521	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-15.4	178.2	42.4	0	0	0	0	113.8	S99	S99-T101 PolarHBondContact O-N 3.01Å; S99-T101 PolarHBondContact O-OG1 3.44Å
102	D	45.5	Very low	48.9	Very low	57 Å²	57	77.9 Å²	77.9	31%	0.305	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	13.1	-153.2	-74.7	37.4	0	0	0	115.2	L104 F105 N106	D102-L104 PolarHBondContact O-N 3.09Å; D102-F105 HydrophobicContact CB-CB 4Å; D102-F105 WeakPolarHBondContact O-CB 3.36Å; D102-F105 PolarHBondContact O-N 3.01Å; D102-N106 PolarHBondContact O-N 2.86Å
103	E	48.5	Very low	47.3	Very low	178 Å²	178	79 Å²	79	83%	0.832	48%	0.484	S	S	*	.	H	α-helix	trans	-51	-36.7	155.5	-70.2	-168.1	149.7	0	0	110.5	F105 S107	E103-F105 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.46Å; E103-S107 WeakPolarHBondContact O-CB 3.41Å; E103-S107 PolarHBondContact O-N 3.26Å
104	L	47.9	Very low	46.2	Very low	130 Å²	130	79 Å²	79	68%	0.681	48%	0.482	S	S	*	.	H	α-helix	trans	-61.7	-33.5	172.6	-74.7	169	0	0	0	112.9	D102 M108	D102-L104 PolarHBondContact O-N 3.09Å; L104-M108 WeakPolarHBondContact O-CB 3.32Å; L104-M108 PolarHBondContact O-N 2.83Å
105	F	45.6	Very low	45.3	Very low	30 Å²	30	75.2 Å²	75.2	13%	0.132	47%	0.47	C	S	.	.	H	α-helix	trans	-77.3	-45.8	-176.9	-175.3	-99.8	0	0	0	112.4	F22 L54 D102 E103 S107 M108 I109	F22-F105 HydrophobicContact CE1-CZ 4.42Å; L54-F105 HydrophobicContact CD1-CE1 4.17Å; L54-F105 HydrophobicContact CD1-CZ 4.46Å; L54-F105 HydrophobicContact CD2-CD1 4Å; L54-F105 HydrophobicContact CD2-CE1 3.65Å; L54-F105 HydrophobicContact CG-CE1 4.38Å; D102-F105 HydrophobicContact CB-CB 4Å; D102-F105 WeakPolarHBondContact O-CB 3.36Å; D102-F105 PolarHBondContact O-N 3.01Å; E103-F105 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.46Å; F105-S107 VanDerWaalsContact C-N 3.28Å; F105-S107 PolarHBondContact O-N 3.42Å; F105-M108 CarbonylContact O-C 3.54Å; F105-M108 WeakPolarHBondContact O-CA 3.27Å; F105-M108 WeakPolarHBondContact O-CB 3.48Å; F105-M108 PolarHBondContact O-N 2.95Å; F105-I109 HydrophobicContact CD1-CD1 4.21Å; F105-I109 HydrophobicContact CE1-CD1 3.38Å; F105-I109 HydrophobicContact CE1-CG1 4.05Å; F105-I109 HydrophobicContact CZ-CD1 3.64Å; F105-I109 HydrophobicContact CZ-CG1 4.08Å; F105-I109 PolarHBondContact O-N 3.01Å
106	N	49.4	Very low	44.9	Very low	79 Å²	79	75.1 Å²	75.1	42%	0.422	47%	0.474	S	S	.	.	H	α-helix	trans	-61.5	-40	172.2	-74.8	-70.1	0	0	0	111.2	E57 D102 M108 S110	E57-N106 PolarHBondContact OE1-ND2 3.29Å; D102-N106 PolarHBondContact O-N 2.86Å; N106-M108 VanDerWaalsContact C-N 3.3Å; N106-M108 PolarHBondContact O-N 2.89Å; N106-S110 WeakPolarHBondContact O-CB 3.3Å; N106-S110 PolarHBondContact O-N 2.96Å; N106-S110 VanDerWaalsContact O-N 3.08Å
107	S	45.9	Very low	44.8	Very low	76 Å²	76	74.5 Å²	74.5	53%	0.531	46%	0.462	S	S	.	.	H	α-helix	trans	-64.2	-32.8	170.4	-161.1	0	0	0	0	112.3	E103 F105 S111	E103-S107 WeakPolarHBondContact O-CB 3.41Å; E103-S107 PolarHBondContact O-N 3.26Å; F105-S107 VanDerWaalsContact C-N 3.28Å; F105-S107 PolarHBondContact O-N 3.42Å; S107-S111 WeakPolarHBondContact O-CA 3.39Å; S107-S111 WeakPolarHBondContact O-CB 3.47Å; S107-S111 PolarHBondContact O-N 3.35Å
108	M	45.3	Very low	44.8	Very low	99 Å²	99	71.9 Å²	71.9	49%	0.488	45%	0.447	S	S	.	.	H	α-helix	trans	-73	-40.5	177.1	-161.5	177.9	-49.6	0	0	112.9	L104 F105 N106 S111 V112	L104-M108 WeakPolarHBondContact O-CB 3.32Å; L104-M108 PolarHBondContact O-N 2.83Å; F105-M108 CarbonylContact O-C 3.54Å; F105-M108 WeakPolarHBondContact O-CA 3.27Å; F105-M108 WeakPolarHBondContact O-CB 3.48Å; F105-M108 PolarHBondContact O-N 2.95Å; N106-M108 VanDerWaalsContact C-N 3.3Å; N106-M108 PolarHBondContact O-N 2.89Å; M108-S111 CarbonylContact O-C 3.55Å; M108-S111 PolarHBondContact O-N 3.13Å; M108-V112 HydrophobicContact CG-CG2 4.4Å; M108-V112 WeakPolarHBondContact O-CB 3.44Å; M108-V112 VanDerWaalsContact O-CG2 3.26Å; M108-V112 WeakPolarHBondContact O-CG2 3.36Å; M108-V112 PolarHBondContact O-N 2.85Å
109	I	48.5	Very low	44.6	Very low	62 Å²	62	69.8 Å²	69.8	32%	0.318	43%	0.433	S	S	.	.	H	α-helix	trans	-64.8	-41.7	172.7	-70.2	-176.8	0	0	0	110.7	F22 F105 S111 V112 S113	F22-I109 HydrophobicContact CZ-CD1 4.27Å; F105-I109 HydrophobicContact CD1-CD1 4.21Å; F105-I109 HydrophobicContact CE1-CD1 3.38Å; F105-I109 HydrophobicContact CE1-CG1 4.05Å; F105-I109 HydrophobicContact CZ-CD1 3.64Å; F105-I109 HydrophobicContact CZ-CG1 4.08Å; F105-I109 PolarHBondContact O-N 3.01Å; I109-S111 VanDerWaalsContact C-N 3.33Å; I109-V112 PolarHBondContact O-N 2.87Å; I109-S113 WeakPolarHBondContact O-CB 3.48Å; I109-S113 PolarHBondContact O-N 3.02Å; I109-S113 PolarHBondContact O-OG 2.78Å
110	S	46.2	Very low	44.5	Very low	41 Å²	41	68 Å²	68	29%	0.287	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-40.2	173.4	-168.9	0	0	0	0	111.4	N106 T114	N106-S110 WeakPolarHBondContact O-CB 3.3Å; N106-S110 PolarHBondContact O-N 2.96Å; N106-S110 VanDerWaalsContact O-N 3.08Å; S110-T114 WeakPolarHBondContact O-CB 3.31Å; S110-T114 PolarHBondContact O-N 3.27Å; S110-T114 PolarHBondContact O-OG1 2.96Å
111	S	44	Very low	44.4	Very low	70 Å²	70	66.8 Å²	66.8	49%	0.49	39%	0.394	S	S	.	.	H	α-helix	trans	-67.5	-41.9	176.1	-172	0	0	0	0	112.7	S107 M108 I109 T114 A115	S107-S111 WeakPolarHBondContact O-CA 3.39Å; S107-S111 WeakPolarHBondContact O-CB 3.47Å; S107-S111 PolarHBondContact O-N 3.35Å; M108-S111 CarbonylContact O-C 3.55Å; M108-S111 PolarHBondContact O-N 3.13Å; I109-S111 VanDerWaalsContact C-N 3.33Å; S111-T114 CarbonylContact O-C 3.54Å; S111-T114 PolarHBondContact O-N 2.94Å; S111-A115 WeakPolarHBondContact O-CA 3.46Å; S111-A115 WeakPolarHBondContact O-CB 3.5Å; S111-A115 PolarHBondContact O-N 2.74Å
112	V	44.2	Very low	44.4	Very low	45 Å²	45	67.2 Å²	67.2	27%	0.273	40%	0.396	S	S	.	.	H	α-helix	trans	-68.6	-41	177.7	166.2	0	0	0	0	111	F17 M108 I109 A115 A116	F17-V112 HydrophobicContact CD1-CG1 4.35Å; F17-V112 HydrophobicContact CE1-CG1 3.67Å; F17-V112 HydrophobicContact CZ-CG1 3.92Å; M108-V112 HydrophobicContact CG-CG2 4.4Å; M108-V112 WeakPolarHBondContact O-CB 3.44Å; M108-V112 VanDerWaalsContact O-CG2 3.26Å; M108-V112 WeakPolarHBondContact O-CG2 3.36Å; M108-V112 PolarHBondContact O-N 2.85Å; I109-V112 PolarHBondContact O-N 2.87Å; V112-A115 PolarHBondContact O-N 3.18Å; V112-A116 PolarHBondContact O-N 2.75Å
113	S	47.4	Very low	44.2	Very low	64 Å²	64	65.5 Å²	65.5	45%	0.448	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-44.2	171.4	-55.8	0	0	0	0	110.9	I109 A115 A116 F117	I109-S113 WeakPolarHBondContact O-CB 3.48Å; I109-S113 PolarHBondContact O-N 3.02Å; I109-S113 PolarHBondContact O-OG 2.78Å; S113-A115 VanDerWaalsContact C-N 3.31Å; S113-A115 PolarHBondContact O-N 2.92Å; S113-A116 PolarHBondContact O-N 2.94Å; S113-F117 WeakPolarHBondContact O-CD2 3.48Å; S113-F117 PolarHBondContact O-N 2.96Å; S113-F117 VanDerWaalsContact O-N 3.07Å
114	T	42.5	Very low	43.9	Very low	49 Å²	49	64 Å²	64	30%	0.301	38%	0.38	S	S	.	.	H	α-helix	trans	-67.5	-29.9	175.5	-61.3	0	0	0	0	112.4	S110 S111 F117 A118	S110-T114 WeakPolarHBondContact O-CB 3.31Å; S110-T114 PolarHBondContact O-N 3.27Å; S110-T114 PolarHBondContact O-OG1 2.96Å; S111-T114 CarbonylContact O-C 3.54Å; S111-T114 PolarHBondContact O-N 2.94Å; T114-F117 CarbonylContact O-C 3.45Å; T114-F117 WeakPolarHBondContact O-CB 3.34Å; T114-F117 PolarHBondContact O-N 3.33Å; T114-A118 VanDerWaalsContact O-CB 3.25Å; T114-A118 WeakPolarHBondContact O-CB 3.48Å; T114-A118 PolarHBondContact O-N 3.06Å
115	A	40.6	Very low	43.6	Very low	36 Å²	36	64.7 Å²	64.7	30%	0.298	39%	0.385	S	S	.	.	H	α-helix	trans	-76	-41.3	177.5	0	0	0	0	0	111.4	F17 S111 V112 S113 F117 A118 V119	F17-A115 HydrophobicContact CZ-CB 4.49Å; S111-A115 WeakPolarHBondContact O-CA 3.46Å; S111-A115 WeakPolarHBondContact O-CB 3.5Å; S111-A115 PolarHBondContact O-N 2.74Å; V112-A115 PolarHBondContact O-N 3.18Å; S113-A115 VanDerWaalsContact C-N 3.31Å; S113-A115 PolarHBondContact O-N 2.92Å; A115-F117 VanDerWaalsContact C-N 3.28Å; A115-F117 PolarHBondContact O-N 3.19Å; A115-A118 CarbonylContact O-C 3.54Å; A115-A118 PolarHBondContact O-N 3.11Å; A115-V119 VanDerWaalsContact O-CB 3.3Å; A115-V119 WeakPolarHBondContact O-CB 3.44Å; A115-V119 VanDerWaalsContact O-CG2 3.32Å; A115-V119 WeakPolarHBondContact O-CG2 3.36Å; A115-V119 PolarHBondContact O-N 2.86Å
116	A	42.6	Very low	43.1	Very low	44 Å²	44	67 Å²	67	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-56.9	-44.3	168.3	0	0	0	0	0	110.8	F17 V112 S113 V119 A120	F17-A116 HydrophobicContact CE1-CB 4.18Å; V112-A116 PolarHBondContact O-N 2.75Å; S113-A116 PolarHBondContact O-N 2.94Å; A116-V119 PolarHBondContact O-N 3.12Å; A116-A120 WeakPolarHBondContact O-CB 3.36Å; A116-A120 PolarHBondContact O-N 3.22Å
117	F	44.9	Very low	42.2	Very low	60 Å²	60	70.2 Å²	70.2	26%	0.263	43%	0.427	S	S	.	.	H	α-helix	trans	-63.7	-41	172.8	-101.5	-87.9	0	0	0	113.7	S113 T114 A115 V119 K121 K190 I193 I197	S113-F117 WeakPolarHBondContact O-CD2 3.48Å; S113-F117 PolarHBondContact O-N 2.96Å; S113-F117 VanDerWaalsContact O-N 3.07Å; T114-F117 CarbonylContact O-C 3.45Å; T114-F117 WeakPolarHBondContact O-CB 3.34Å; T114-F117 PolarHBondContact O-N 3.33Å; A115-F117 VanDerWaalsContact C-N 3.28Å; A115-F117 PolarHBondContact O-N 3.19Å; F117-V119 VanDerWaalsContact C-N 3.32Å; F117-K121 WeakPolarHBondContact O-CB 3.44Å; F117-K121 PolarHBondContact O-N 3.49Å; F117-K190 HydrophobicContact CD1-CG 4.47Å; F117-K190 HydrophobicContact CE1-CB 4.4Å; F117-K190 HydrophobicContact CE1-CG 4.47Å; F117-I193 HydrophobicContact CD1-CD1 4.3Å; F117-I193 HydrophobicContact CE1-CB 3.58Å; F117-I193 HydrophobicContact CE1-CD1 3.83Å; F117-I193 HydrophobicContact CE1-CG1 4.29Å; F117-I193 HydrophobicContact CE1-CG2 3.59Å; F117-I193 HydrophobicContact CE2-CG2 4.2Å; F117-I193 HydrophobicContact CZ-CB 3.68Å; F117-I193 HydrophobicContact CZ-CG2 3.37Å; F117-I197 HydrophobicContact CE2-CD1 4.46Å
118	A	41.9	Very low	41.6	Very low	46 Å²	46	70.4 Å²	70.4	38%	0.38	42%	0.422	S	S	.	.	H	α-helix	trans	-70.7	-28.9	178.1	0	0	0	0	0	112.3	T114 A115 K121 V122	T114-A118 VanDerWaalsContact O-CB 3.25Å; T114-A118 WeakPolarHBondContact O-CB 3.48Å; T114-A118 PolarHBondContact O-N 3.06Å; A115-A118 CarbonylContact O-C 3.54Å; A115-A118 PolarHBondContact O-N 3.11Å; A118-K121 WeakPolarHBondContact O-CB 3.42Å; A118-K121 PolarHBondContact O-N 3.09Å; A118-V122 WeakPolarHBondContact O-CG2 3.16Å; A118-V122 PolarHBondContact O-N 2.81Å
119	V	40.8	Very low	41	Very low	35 Å²	35	70.1 Å²	70.1	21%	0.212	43%	0.427	C	S	.	.	H	α-helix	trans	-78.3	-41.6	174.6	162.8	0	0	0	0	111	A115 A116 F117 K121 V122 A123 A170 M174	A115-V119 VanDerWaalsContact O-CB 3.3Å; A115-V119 WeakPolarHBondContact O-CB 3.44Å; A115-V119 VanDerWaalsContact O-CG2 3.32Å; A115-V119 WeakPolarHBondContact O-CG2 3.36Å; A115-V119 PolarHBondContact O-N 2.86Å; A116-V119 PolarHBondContact O-N 3.12Å; F117-V119 VanDerWaalsContact C-N 3.32Å; V119-K121 PolarHBondContact O-N 3.49Å; V119-V122 PolarHBondContact O-N 2.81Å; V119-V122 VanDerWaalsContact O-N 3.1Å; V119-A123 WeakPolarHBondContact O-CB 3.28Å; V119-A123 PolarHBondContact O-N 3.31Å; V119-A170 HydrophobicContact CG1-CB 4.11Å; V119-M174 HydrophobicContact CB-CE 4.11Å; V119-M174 HydrophobicContact CB-CG 4.42Å; V119-M174 HydrophobicContact CG1-CE 3.96Å; V119-M174 HydrophobicContact CG1-CG 3.62Å; V119-M174 HydrophobicContact CG1-SD 4.15Å; V119-M174 HydrophobicContact CG2-CE 3.72Å; V119-M174 HydrophobicContact CG2-CG 3.96Å
120	A	41.4	Very low	40.3	Very low	54 Å²	54	75.2 Å²	75.2	45%	0.446	46%	0.455	S	S	.	.	H	α-helix	trans	-59.8	-25.1	167.9	0	0	0	0	0	112.7	A116	A116-A120 WeakPolarHBondContact O-CB 3.36Å; A116-A120 PolarHBondContact O-N 3.22Å
121	K	39.1	Very low	39.8	Very low	63 Å²	63	79.1 Å²	79.1	27%	0.274	47%	0.473	S	S	.	.	H	α-helix	trans	-76	-47.7	169	173.2	-167.8	174.1	171.6	0	112.7	F117 A118 V119 A123 K124 S182 Y184 V185	F117-K121 WeakPolarHBondContact O-CB 3.44Å; F117-K121 PolarHBondContact O-N 3.49Å; A118-K121 WeakPolarHBondContact O-CB 3.42Å; A118-K121 PolarHBondContact O-N 3.09Å; V119-K121 PolarHBondContact O-N 3.49Å; K121-A123 VanDerWaalsContact C-N 3.29Å; K121-A123 PolarHBondContact O-N 3.04Å; K121-K124 PolarHBondContact O-N 3.2Å; K121-S182 PolarHBondContact NZ-O 2.9Å; K121-Y184 VanDerWaalsContact CE-O 3.26Å; K121-Y184 WeakPolarHBondContact CE-O 3.49Å; K121-Y184 PolarHBondContact NZ-O 2.77Å; K121-V185 HydrophobicContact CB-CG2 4.4Å; K121-V185 HydrophobicContact CD-CB 3.99Å; K121-V185 HydrophobicContact CD-CG2 3.59Å; K121-V185 HydrophobicContact CG-CG2 3.87Å
122	V	41.2	Very low	39.6	Very low	93 Å²	93	81 Å²	81	56%	0.564	47%	0.472	S	S	*	.	H	α-helix	trans	-66.1	-30.4	-179.1	167.5	0	0	0	0	112.1	A118 V119 K124 D125	A118-V122 WeakPolarHBondContact O-CG2 3.16Å; A118-V122 PolarHBondContact O-N 2.81Å; V119-V122 PolarHBondContact O-N 2.81Å; V119-V122 VanDerWaalsContact O-N 3.1Å; V122-K124 PolarHBondContact O-N 3.1Å; V122-D125 PolarHBondContact O-N 2.82Å
123	A	41.6	Very low	39	Very low	22 Å²	22	87 Å²	87	18%	0.182	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-1.9	175.8	0	0	0	0	0	115	V119 K121 S126 A170	V119-A123 WeakPolarHBondContact O-CB 3.28Å; V119-A123 PolarHBondContact O-N 3.31Å; K121-A123 VanDerWaalsContact C-N 3.29Å; K121-A123 PolarHBondContact O-N 3.04Å; A123-S126 PolarHBondContact O-OG 3.39Å; A123-A170 HydrophobicContact CB-CB 3.92Å
124	K	41.8	Very low	38.5	Very low	146 Å²	146	91.3 Å²	91.3	64%	0.635	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.9	176	-88.7	-164.1	166.7	-162.8	0	115.9	K121 V122 S126	K121-K124 PolarHBondContact O-N 3.2Å; V122-K124 PolarHBondContact O-N 3.1Å; K124-S126 PolarHBondContact O-N 2.88Å
125	D	40.4	Very low	37.9	Very low	144 Å²	144	95.4 Å²	95.4	77%	0.77	52%	0.524	S	S	*	.	S	Bend	trans	-76.8	-3	178.2	-75	-14	0	0	0	113.2	V122	V122-D125 PolarHBondContact O-N 2.82Å
126	S	36	Very low	37.5	Very low	79 Å²	79	97.5 Å²	97.5	55%	0.552	53%	0.533	S	S	*	.	S	Bend	trans	-85.3	126.8	158.5	60	0	0	0	0	110.4	A123 K124 I128	A123-S126 PolarHBondContact O-OG 3.39Å; K124-S126 PolarHBondContact O-N 2.88Å; S126-I128 PolarHBondContact O-N 3.41Å
127	T	30.8	Very low	36.7	Very low	146 Å²	146	104.8 Å²	104.8	90%	0.896	56%	0.557	S	S	*	*			trans	-56.8	96.1	-169.9	53.6	0	0	0	0	114.7
128	I	32.5	Very low	35.9	Very low	81 Å²	81	107.3 Å²	107.3	42%	0.415	58%	0.577	S	S	.	*			trans	-93.1	127.1	161.2	-61.4	171.6	0	0	0	107.2	S126 F132	S126-I128 PolarHBondContact O-N 3.41Å; I128-F132 HydrophobicContact CG2-CB 4.15Å; I128-F132 HydrophobicContact CG2-CG 4.42Å
129	P	33.3	Very low	35.2	Very low	92 Å²	92	115 Å²	115	60%	0.597	60%	0.596	S	S	*	*			trans	-62.4	137.4	179.9	-23	33.8	0	0	0	112.7	N131 F132	P129-N131 PolarHBondContact O-N 3.22Å; P129-F132 PolarHBondContact O-N 2.84Å
130	D	33.2	Very low	34.6	Very low	169 Å²	169	119.3 Å²	119.3	90%	0.904	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-17.4	-172.4	-66.3	-66.3	0	0	0	115.2	F132	D130-F132 VanDerWaalsContact C-N 3.32Å; D130-F132 PolarHBondContact O-N 2.71Å
131	N	35.6	Very low	34.1	Very low	124 Å²	124	121.6 Å²	121.6	66%	0.663	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-2.9	-178.5	-62.6	23.2	0	0	0	114.2	P129 F133 E134	P129-N131 PolarHBondContact O-N 3.22Å; N131-F133 PolarHBondContact O-N 3.48Å; N131-E134 PolarHBondContact O-N 3.15Å
132	F	39	Very low	33.7	Very low	109 Å²	109	125.4 Å²	125.4	48%	0.478	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	-8.4	-163.9	-147.6	-93.2	0	0	0	116.4	I128 P129 D130	I128-F132 HydrophobicContact CG2-CB 4.15Å; I128-F132 HydrophobicContact CG2-CG 4.42Å; P129-F132 PolarHBondContact O-N 2.84Å; D130-F132 VanDerWaalsContact C-N 3.32Å; D130-F132 PolarHBondContact O-N 2.71Å
133	F	33.6	Very low	33.5	Very low	170 Å²	170	128.2 Å²	128.2	75%	0.746	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	-9.2	-179.7	-85.3	-89.1	0	0	0	115.1	N131	N131-F133 PolarHBondContact O-N 3.48Å
134	E	35.3	Very low	33.2	Very low	156 Å²	156	134.5 Å²	134.5	73%	0.729	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-26.7	-170.1	-160.2	167.6	-147.2	0	0	113.9	N131 T136	N131-E134 PolarHBondContact O-N 3.15Å; E134-T136 VanDerWaalsContact C-N 3.31Å; E134-T136 PolarHBondContact O-N 3.34Å
135	E	31.5	Very low	32.9	Very low	134 Å²	134	135 Å²	135	63%	0.626	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-7	-176.9	-70.7	-148.8	99.5	0	0	115.5	F137 R139	E135-F137 PolarHBondContact O-N 2.9Å; E135-R139 IonicContact OE1-CZ 2.69Å; E135-R139 IonicContact OE1-NE 3.74Å; E135-R139 IonicContact OE1-NH2 3.99Å; E135-R139 PolarHBondContact OE1-NH2 3.45Å
136	T	30.5	Very low	32.7	Very low	81 Å²	81	135 Å²	135	50%	0.497	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	-9	-165.2	-30	0	0	0	0	115.3	E134	E134-T136 VanDerWaalsContact C-N 3.31Å; E134-T136 PolarHBondContact O-N 3.34Å
137	F	27.4	Very low	32.5	Very low	197 Å²	197	138.6 Å²	138.6	86%	0.864	72%	0.722	S	S	*	*	S	Bend	trans	-131.2	1.5	-173	-91.2	-81.9	0	0	0	116.4	E135	E135-F137 PolarHBondContact O-N 2.9Å
138	T	26.4	Very low	32.8	Very low	112 Å²	112	139.2 Å²	139.2	69%	0.687	72%	0.719	S	S	*	*			trans	-135.5	56.7	-167.1	44.2	0	0	0	0	114.6
139	R	28.4	Very low	32.8	Very low	207 Å²	207	145 Å²	145	78%	0.781	74%	0.742	S	S	*	*			trans	-132	81.6	163.6	-70	-163.6	-172.7	-167	6.9	113.6	E135	E135-R139 IonicContact OE1-CZ 2.69Å; E135-R139 IonicContact OE1-NE 3.74Å; E135-R139 IonicContact OE1-NH2 3.99Å; E135-R139 PolarHBondContact OE1-NH2 3.45Å
140	T	28.2	Very low	32.8	Very low	127 Å²	127	149.9 Å²	149.9	78%	0.779	76%	0.756	S	S	*	*			trans	-91.1	134.1	155.4	48.3	0	0	0	0	109.5
141	S	29.9	Very low	32.9	Very low	101 Å²	101	150.6 Å²	150.6	71%	0.706	75%	0.752	S	S	*	*			trans	55.4	126.2	164.7	43.3	0	0	0	0	116.7
142	D	31.3	Very low	33.1	Very low	143 Å²	143	152 Å²	152	77%	0.765	76%	0.757	S	S	*	*			cis	-154.5	-178.7	33.7	-92.2	-43.5	0	0	0	113.5
143	N	37.6	Very low	33.2	Very low	152 Å²	152	151.8 Å²	151.8	81%	0.813	77%	0.767	S	S	*	*			trans	84.9	84.4	167.7	-57.8	-51.1	0	0	0	117.7
144	I	33.9	Very low	33.8	Very low	154 Å²	154	149.7 Å²	149.7	79%	0.79	76%	0.758	S	S	*	*			trans	-4.9	124.4	137.1	-58.4	159	0	0	0	115.2
145	D	36.3	Very low	34.7	Very low	158 Å²	158	145.7 Å²	145.7	85%	0.845	75%	0.747	S	S	*	*				-146.5	157.1	121.1	-138.9	-23.9	0	0	0	111.6
146	L	35.4	Very low	35.1	Very low	143 Å²	143	144.1 Å²	144.1	75%	0.749	74%	0.738	S	S	*	*			trans	-109.1	103	-166.8	-76	163.7	0	0	0	112.5
147	N	31.7	Very low	36	Very low	155 Å²	155	144.8 Å²	144.8	83%	0.829	74%	0.735	S	S	*	*			trans	164.1	111.4	135	-86	-41.8	0	0	0	111.4
148	D	37.9	Very low	37.3	Very low	158 Å²	158	140.5 Å²	140.5	85%	0.845	72%	0.718	S	S	*	*				-171.9	143.3	124.8	-103.9	-14.4	0	0	0	109.4
149	K	32.1	Very low	38.4	Very low	203 Å²	203	140 Å²	140	88%	0.883	71%	0.708	S	S	*	*			trans	-99.2	161.1	171.5	-74.6	-175.7	177.2	179.3	0	109.9
150	E	33.8	Very low	39.4	Very low	194 Å²	194	130.4 Å²	130.4	91%	0.907	67%	0.673	S	S	*	*			trans	73.3	67.8	160.9	-155.6	158.8	-103.2	0	0	116.8
151	K	35.3	Very low	40.6	Very low	185 Å²	185	128.3 Å²	128.3	80%	0.804	65%	0.651	S	S	*	*			trans	-130	121.8	153	-89.6	171	-174	152.1	0	111.2
152	I	40.4	Very low	41.7	Very low	153 Å²	153	127.3 Å²	127.3	79%	0.785	64%	0.636	S	S	*	*			trans	-64.5	142.2	167.7	-64.5	166.4	0	0	0	108.2	K154	I152-K154 PolarHBondContact O-N 2.74Å; I152-K154 VanDerWaalsContact O-N 3.08Å
153	P	41	Very low	42.9	Very low	105 Å²	105	123.2 Å²	123.2	68%	0.682	61%	0.611	S	S	*	*			trans	-64.9	109.9	-172.6	24.8	-35.4	0	0	0	112.5
154	K	46.7	Very low	43.6	Very low	126 Å²	126	117.4 Å²	117.4	55%	0.548	58%	0.579	S	S	.	*			trans	-75.1	-27	-179.7	-67.3	-169.3	164.8	-157.2	0	114.6	I152 F156 Q157 E158	I152-K154 PolarHBondContact O-N 2.74Å; I152-K154 VanDerWaalsContact O-N 3.08Å; K154-F156 VanDerWaalsContact C-N 3.29Å; K154-F156 PolarHBondContact O-N 3.1Å; K154-F156 VanDerWaalsContact O-N 3.16Å; K154-Q157 PolarHBondContact O-N 2.79Å; K154-E158 PolarHBondContact O-N 3.48Å
155	S	53	Low	44.6	Very low	71 Å²	71	116.7 Å²	116.7	50%	0.497	57%	0.572	S	S	.	*	H	α-helix	trans	-52.8	-41.3	-169.7	48.6	0	0	0	0	113.9	E158 Q159	S155-E158 PolarHBondContact O-N 3.07Å; S155-Q159 WeakPolarHBondContact O-CB 3.39Å; S155-Q159 WeakPolarHBondContact O-CG 3.48Å; S155-Q159 PolarHBondContact O-N 2.77Å
156	F	39.5	Very low	45.7	Very low	101 Å²	101	113.2 Å²	113.2	44%	0.443	55%	0.553	S	S	.	*	H	α-helix	trans	-71.4	-32.4	-178.5	-139.3	-89.3	0	0	0	112.8	K154 A160	K154-F156 VanDerWaalsContact C-N 3.29Å; K154-F156 PolarHBondContact O-N 3.1Å; K154-F156 VanDerWaalsContact O-N 3.16Å; F156-A160 PolarHBondContact O-N 2.86Å
157	Q	49.6	Very low	46.4	Very low	95 Å²	95	108.9 Å²	108.9	44%	0.444	53%	0.531	S	S	.	.	H	α-helix	trans	-78.1	-36.8	176.7	-170.9	171.3	14.6	0	0	111.2	K154 A160 Y161	K154-Q157 PolarHBondContact O-N 2.79Å; Q157-A160 PolarHBondContact O-N 2.94Å; Q157-Y161 HydrophobicContact CG-CD2 4Å; Q157-Y161 HydrophobicContact CG-CE2 3.57Å; Q157-Y161 PolarHBondContact NE2-OH 3.33Å; Q157-Y161 WeakPolarHBondContact O-CD2 3.43Å; Q157-Y161 PolarHBondContact O-N 3.08Å
158	E	55.8	Low	47.3	Very low	108 Å²	108	103 Å²	103	51%	0.505	50%	0.5	S	S	.	.	H	α-helix	trans	-63.9	-42.8	173.1	-73.3	162	175.2	0	0	111.2	K154 S155 A160 Y161 Q162	K154-E158 PolarHBondContact O-N 3.48Å; S155-E158 PolarHBondContact O-N 3.07Å; E158-A160 PolarHBondContact O-N 2.99Å; E158-Y161 PolarHBondContact O-N 2.84Å; E158-Q162 WeakPolarHBondContact O-CB 3.47Å; E158-Q162 PolarHBondContact O-N 3.37Å
159	Q	49.2	Very low	47.9	Very low	101 Å²	101	97.7 Å²	97.7	47%	0.472	48%	0.479	S	S	.	.	H	α-helix	trans	-58.4	-44	171.6	-80.4	-179.6	-21.7	0	0	113.1	S155 Q162 F163	S155-Q159 WeakPolarHBondContact O-CB 3.39Å; S155-Q159 WeakPolarHBondContact O-CG 3.48Å; S155-Q159 PolarHBondContact O-N 2.77Å; Q159-Q162 PolarHBondContact O-N 3.06Å; Q159-F163 PolarHBondContact O-N 2.74Å
160	A	47.9	Very low	48.9	Very low	5 Å²	5	88.4 Å²	88.4	4%	0.041	44%	0.44	C	S	.	.	H	α-helix	trans	-69.2	-38	-179.3	0	0	0	0	0	112.6	L76 W78 F156 Q157 E158 F163 F164	L76-A160 HydrophobicContact CD2-CB 3.87Å; W78-A160 HydrophobicContact CZ2-CB 4.17Å; F156-A160 PolarHBondContact O-N 2.86Å; Q157-A160 PolarHBondContact O-N 2.94Å; E158-A160 PolarHBondContact O-N 2.99Å; A160-F163 PolarHBondContact O-N 3.44Å; A160-F164 WeakPolarHBondContact O-CD2 3.45Å; A160-F164 PolarHBondContact O-N 2.74Å
161	Y	53.3	Low	49.5	Very low	84 Å²	84	79.8 Å²	79.8	33%	0.329	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-43.6	170.9	-75.9	-54.3	0	0	0	111.8	P3 L76 Q157 E158 F163 F164 E165	P3-Y161 HydrophobicContact CG-CE1 4.34Å; L76-Y161 HydrophobicContact CD1-CD1 3.57Å; L76-Y161 HydrophobicContact CD1-CE1 3.38Å; L76-Y161 HydrophobicContact CD1-CG 4.3Å; Q157-Y161 HydrophobicContact CG-CD2 4Å; Q157-Y161 HydrophobicContact CG-CE2 3.57Å; Q157-Y161 PolarHBondContact NE2-OH 3.33Å; Q157-Y161 WeakPolarHBondContact O-CD2 3.43Å; Q157-Y161 PolarHBondContact O-N 3.08Å; E158-Y161 PolarHBondContact O-N 2.84Å; Y161-F163 VanDerWaalsContact C-N 3.31Å; Y161-F163 PolarHBondContact O-N 3.27Å; Y161-F164 PolarHBondContact O-N 3.07Å; Y161-F164 VanDerWaalsContact O-N 3.09Å; Y161-E165 PolarHBondContact O-N 2.82Å
162	Q	54.5	Low	50	Low	80 Å²	80	75.9 Å²	75.9	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-67.7	-30.7	-179.2	-163.9	156.7	41.2	0	0	112.6	E158 Q159 N166	E158-Q162 WeakPolarHBondContact O-CB 3.47Å; E158-Q162 PolarHBondContact O-N 3.37Å; Q159-Q162 PolarHBondContact O-N 3.06Å; Q162-N166 WeakPolarHBondContact O-CB 3.48Å; Q162-N166 PolarHBondContact O-N 3.35Å; Q162-N166 PolarHBondContact O-ND2 2.77Å; Q162-N166 VanDerWaalsContact O-ND2 3.15Å
163	F	55.5	Low	50.5	Low	57 Å²	57	72.4 Å²	72.4	25%	0.25	37%	0.372	C	S	.	.	H	α-helix	trans	-62.4	-43.5	168.2	175.9	-97.4	0	0	0	112.3	W78 Q159 A160 Y161 N166 L167 M196 L200	W78-F163 AromaticContact CH2-CD1 3.72Å; W78-F163 HydrophobicContact CH2-CD1 3.72Å; W78-F163 AromaticContact CH2-CE1 3.85Å; W78-F163 HydrophobicContact CH2-CE1 3.85Å; W78-F163 HydrophobicContact CZ2-CD1 4.36Å; Q159-F163 PolarHBondContact O-N 2.74Å; A160-F163 PolarHBondContact O-N 3.44Å; Y161-F163 VanDerWaalsContact C-N 3.31Å; Y161-F163 PolarHBondContact O-N 3.27Å; F163-N166 PolarHBondContact O-N 2.97Å; F163-L167 HydrophobicContact CD1-CD1 4.16Å; F163-L167 HydrophobicContact CE1-CD1 3.45Å; F163-L167 VanDerWaalsContact CE1-CD1 3.45Å; F163-L167 HydrophobicContact CE1-CG 4.5Å; F163-L167 HydrophobicContact CE2-CD1 4.46Å; F163-L167 HydrophobicContact CZ-CD1 3.63Å; F163-L167 HydrophobicContact CZ-CG 4.43Å; F163-L167 PolarHBondContact O-N 2.96Å; F163-M196 HydrophobicContact CD2-CE 4.19Å; F163-M196 HydrophobicContact CE2-CE 3.7Å; F163-L200 HydrophobicContact CZ-CD1 4.35Å
164	F	52.9	Low	50.5	Low	30 Å²	30	71.5 Å²	71.5	13%	0.132	36%	0.36	C	S	.	.	H	α-helix	trans	-70.5	-32.1	176.7	-88.6	-77.6	0	0	0	113.6	V11 L76 W78 A160 Y161 T168	V11-F164 HydrophobicContact CG2-CD1 4.45Å; V11-F164 HydrophobicContact CG2-CE1 4.43Å; L76-F164 HydrophobicContact CD2-CD2 4.05Å; L76-F164 HydrophobicContact CD2-CE2 3.77Å; W78-F164 HydrophobicContact CH2-CD2 4.4Å; W78-F164 AromaticContact CH2-CE2 3.71Å; W78-F164 HydrophobicContact CH2-CE2 3.71Å; W78-F164 HydrophobicContact CH2-CZ 4.44Å; W78-F164 AromaticContact CZ3-CE2 3.81Å; W78-F164 HydrophobicContact CZ3-CE2 3.81Å; W78-F164 HydrophobicContact CZ3-CZ 4.2Å; A160-F164 WeakPolarHBondContact O-CD2 3.45Å; A160-F164 PolarHBondContact O-N 2.74Å; Y161-F164 PolarHBondContact O-N 3.07Å; Y161-F164 VanDerWaalsContact O-N 3.09Å; F164-T168 VanDerWaalsContact O-CB 3.27Å; F164-T168 WeakPolarHBondContact O-CB 3.23Å; F164-T168 PolarHBondContact O-N 3.03Å; F164-T168 PolarHBondContact O-OG1 3.33Å
165	E	55.1	Low	50.2	Low	138 Å²	138	71.7 Å²	71.7	65%	0.645	37%	0.367	S	S	*	.	H	α-helix	trans	-65.8	-42.4	168.2	-79.6	-159.8	137.1	0	0	111.8	Y161 L167 T168 A169	Y161-E165 PolarHBondContact O-N 2.82Å; E165-L167 PolarHBondContact O-N 3Å; E165-T168 WeakPolarHBondContact O-CA 3.48Å; E165-T168 WeakPolarHBondContact O-CB 3.11Å; E165-T168 PolarHBondContact O-N 3.1Å; E165-T168 VanDerWaalsContact O-N 3.12Å; E165-A169 PolarHBondContact O-N 2.92Å
166	N	59.7	Low	49.3	Very low	85 Å²	85	74.3 Å²	74.3	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-41.4	177.4	-71.2	-25.7	0	0	0	112.1	Q162 F163 T168 A170	Q162-N166 WeakPolarHBondContact O-CB 3.48Å; Q162-N166 PolarHBondContact O-N 3.35Å; Q162-N166 PolarHBondContact O-ND2 2.77Å; Q162-N166 VanDerWaalsContact O-ND2 3.15Å; F163-N166 PolarHBondContact O-N 2.97Å; N166-T168 VanDerWaalsContact C-N 3.32Å; N166-A170 WeakPolarHBondContact O-CB 3.44Å; N166-A170 PolarHBondContact O-N 3.07Å
167	L	48.8	Very low	49	Very low	53 Å²	53	73 Å²	73	28%	0.277	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-37.7	171.1	-99.3	170.7	0	0	0	112.2	F14 F163 E165 A170 A171	F14-L167 HydrophobicContact CD2-CD2 3.95Å; F14-L167 HydrophobicContact CE2-CD1 4.44Å; F14-L167 HydrophobicContact CE2-CD2 4.03Å; F163-L167 HydrophobicContact CD1-CD1 4.16Å; F163-L167 HydrophobicContact CE1-CD1 3.45Å; F163-L167 VanDerWaalsContact CE1-CD1 3.45Å; F163-L167 HydrophobicContact CE1-CG 4.5Å; F163-L167 HydrophobicContact CE2-CD1 4.46Å; F163-L167 HydrophobicContact CZ-CD1 3.63Å; F163-L167 HydrophobicContact CZ-CG 4.43Å; F163-L167 PolarHBondContact O-N 2.96Å; E165-L167 PolarHBondContact O-N 3Å; L167-A170 PolarHBondContact O-N 3.48Å; L167-A171 WeakPolarHBondContact O-CB 3.2Å; L167-A171 PolarHBondContact O-N 2.79Å
168	T	50.8	Low	48.2	Very low	30 Å²	30	73.5 Å²	73.5	18%	0.184	42%	0.415	C	S	.	.	H	α-helix	trans	-62.8	-51.7	175.9	-68.1	0	0	0	0	111.4	P10 F164 E165 N166 A170 A171 E172	P10-T168 HydrophobicContact CB-CG2 3.73Å; P10-T168 WeakPolarHBondContact CB-OG1 3.17Å; P10-T168 HydrophobicContact CG-CG2 3.56Å; P10-T168 VanDerWaalsContact CG-OG1 3.24Å; P10-T168 WeakPolarHBondContact CG-OG1 3.39Å; F164-T168 VanDerWaalsContact O-CB 3.27Å; F164-T168 WeakPolarHBondContact O-CB 3.23Å; F164-T168 PolarHBondContact O-N 3.03Å; F164-T168 PolarHBondContact O-OG1 3.33Å; E165-T168 WeakPolarHBondContact O-CA 3.48Å; E165-T168 WeakPolarHBondContact O-CB 3.11Å; E165-T168 PolarHBondContact O-N 3.1Å; E165-T168 VanDerWaalsContact O-N 3.12Å; N166-T168 VanDerWaalsContact C-N 3.32Å; T168-A170 VanDerWaalsContact C-N 3.3Å; T168-A170 PolarHBondContact O-N 3.42Å; T168-A171 PolarHBondContact O-N 3.35Å; T168-A171 VanDerWaalsContact O-N 3.14Å; T168-E172 HydrophobicContact CG2-CG 4.48Å; T168-E172 WeakPolarHBondContact O-CG 3.23Å; T168-E172 PolarHBondContact O-N 3.09Å
169	A	51.9	Low	47	Very low	48 Å²	48	78.4 Å²	78.4	40%	0.397	43%	0.434	S	S	.	.	H	α-helix	trans	-60.9	-39.1	178.2	0	0	0	0	0	112	E165 T173	E165-A169 PolarHBondContact O-N 2.92Å; A169-T173 WeakPolarHBondContact O-CB 3.16Å; A169-T173 WeakPolarHBondContact O-CG2 3.35Å; A169-T173 PolarHBondContact O-N 3.14Å; A169-T173 PolarHBondContact O-OG1 3.22Å
170	A	51.7	Low	46.4	Very low	8 Å²	8	77.5 Å²	77.5	7%	0.066	45%	0.452	C	S	.	.	H	α-helix	trans	-64.6	-40.5	174.3	0	0	0	0	0	112.8	V119 A123 N166 L167 T168 T173 M174	V119-A170 HydrophobicContact CG1-CB 4.11Å; A123-A170 HydrophobicContact CB-CB 3.92Å; N166-A170 WeakPolarHBondContact O-CB 3.44Å; N166-A170 PolarHBondContact O-N 3.07Å; L167-A170 PolarHBondContact O-N 3.48Å; T168-A170 VanDerWaalsContact C-N 3.3Å; T168-A170 PolarHBondContact O-N 3.42Å; A170-T173 PolarHBondContact O-OG1 3.46Å; A170-M174 WeakPolarHBondContact O-CG 3.21Å; A170-M174 PolarHBondContact O-N 3.18Å
171	A	46.7	Very low	45.7	Very low	13 Å²	13	82.4 Å²	82.4	11%	0.107	49%	0.492	C	S	.	.	H	α-helix	trans	-74.2	-31.4	177.8	0	0	0	0	0	113.5	P10 L13 L167 T168	P10-A171 HydrophobicContact CB-CB 4.42Å; L13-A171 HydrophobicContact CB-CB 4.42Å; L167-A171 WeakPolarHBondContact O-CB 3.2Å; L167-A171 PolarHBondContact O-N 2.79Å; T168-A171 PolarHBondContact O-N 3.35Å; T168-A171 VanDerWaalsContact O-N 3.14Å
172	E	45.9	Very low	44.7	Very low	103 Å²	103	82.2 Å²	82.2	48%	0.481	50%	0.503	S	S	.	.	H	α-helix	trans	-78	-36.2	176.2	-69.1	-167.9	155.3	0	0	112	T168 N175	T168-E172 HydrophobicContact CG2-CG 4.48Å; T168-E172 WeakPolarHBondContact O-CG 3.23Å; T168-E172 PolarHBondContact O-N 3.09Å; E172-N175 PolarHBondContact O-N 3.08Å
173	T	51.4	Low	43.9	Very low	80 Å²	80	84.4 Å²	84.4	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-68.4	-30.7	174.8	48.9	0	0	0	0	113.4	A169 A170 N175 V176	A169-T173 WeakPolarHBondContact O-CB 3.16Å; A169-T173 WeakPolarHBondContact O-CG2 3.35Å; A169-T173 PolarHBondContact O-N 3.14Å; A169-T173 PolarHBondContact O-OG1 3.22Å; A170-T173 PolarHBondContact O-OG1 3.46Å; T173-N175 PolarHBondContact O-N 3.07Å; T173-N175 VanDerWaalsContact O-N 3.11Å; T173-V176 PolarHBondContact O-N 3.32Å
174	M	40.1	Very low	43.2	Very low	85 Å²	85	91.1 Å²	91.1	42%	0.419	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-50.2	-34.1	169.7	-85.2	176.3	146.3	0	0	113.5	F17 V119 A170 V176	F17-M174 HydrophobicContact CD2-CE 4.12Å; F17-M174 HydrophobicContact CE1-CE 4.36Å; F17-M174 HydrophobicContact CE2-CE 3.68Å; F17-M174 HydrophobicContact CZ-CE 3.82Å; V119-M174 HydrophobicContact CB-CE 4.11Å; V119-M174 HydrophobicContact CB-CG 4.42Å; V119-M174 HydrophobicContact CG1-CE 3.96Å; V119-M174 HydrophobicContact CG1-CG 3.62Å; V119-M174 HydrophobicContact CG1-SD 4.15Å; V119-M174 HydrophobicContact CG2-CE 3.72Å; V119-M174 HydrophobicContact CG2-CG 3.96Å; A170-M174 WeakPolarHBondContact O-CG 3.21Å; A170-M174 PolarHBondContact O-N 3.18Å; M174-V176 VanDerWaalsContact C-N 3.29Å; M174-V176 PolarHBondContact O-N 2.83Å
175	N	40.6	Very low	43	Very low	131 Å²	131	92.9 Å²	92.9	70%	0.701	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-1.7	-170.5	-151.5	10.4	0	0	0	113.3	E172 T173	E172-N175 PolarHBondContact O-N 3.08Å; T173-N175 PolarHBondContact O-N 3.07Å; T173-N175 VanDerWaalsContact O-N 3.11Å
176	V	34.4	Very low	43	Very low	126 Å²	126	89.3 Å²	89.3	76%	0.764	55%	0.551	S	S	*	*	S	Bend	trans	-137.7	82.1	-177.9	-169.1	0	0	0	0	112.3	T173 M174	T173-V176 PolarHBondContact O-N 3.32Å; M174-V176 VanDerWaalsContact C-N 3.29Å; M174-V176 PolarHBondContact O-N 2.83Å
177	G	34.1	Very low	42.9	Very low	72 Å²	72	92 Å²	92	74%	0.742	56%	0.561	S	S	*	*			trans	111.7	100.9	152.3	0	0	0	0	0	116.9	K179	G177-K179 PolarHBondContact O-N 3.31Å
178	A	31.8	Very low	43	Very low	106 Å²	106	93.6 Å²	93.6	88%	0.876	57%	0.569	S	S	*	*			trans	-82.6	100.6	167.9	0	0	0	0	0	111.6
179	K	31.5	Very low	43.6	Very low	212 Å²	212	93.6 Å²	93.6	92%	0.922	57%	0.571	S	S	*	*			trans	-170.5	135.2	159.6	-113.3	164.9	-172.4	176	0	113	G177	G177-K179 PolarHBondContact O-N 3.31Å
180	G	36.3	Very low	43.9	Very low	81 Å²	81	95.1 Å²	95.1	84%	0.835	57%	0.568	S	S	*	*			trans	109.1	126	172.5	0	0	0	0	0	112.6
181	A	32.5	Very low	44.4	Very low	108 Å²	108	100.7 Å²	100.7	89%	0.893	59%	0.593	S	S	*	*			trans	-127.1	136.9	178.2	0	0	0	0	0	110.2
182	S	32.3	Very low	44.8	Very low	80 Å²	80	106.8 Å²	106.8	56%	0.559	61%	0.613	S	S	*	*			trans	-128.2	118.2	168.2	63.1	0	0	0	0	109.3	K121 Y184	K121-S182 PolarHBondContact NZ-O 2.9Å; S182-Y184 PolarHBondContact O-N 3.1Å
183	S	37.1	Very low	45.2	Very low	126 Å²	126	104.6 Å²	104.6	88%	0.881	61%	0.605	S	S	*	*			trans	-101.2	64.8	-171.3	-171.9	0	0	0	0	113.2
184	Y	41.3	Very low	45.5	Very low	199 Å²	199	102.7 Å²	102.7	78%	0.78	60%	0.597	S	S	*	*			trans	-135.1	127.1	151.9	-149.6	-108.6	0	0	0	108.5	K121 S182	K121-Y184 VanDerWaalsContact CE-O 3.26Å; K121-Y184 WeakPolarHBondContact CE-O 3.49Å; K121-Y184 PolarHBondContact NZ-O 2.77Å; S182-Y184 PolarHBondContact O-N 3.1Å
185	V	48.1	Very low	46.2	Very low	66 Å²	66	104.5 Å²	104.5	40%	0.4	60%	0.604	S	S	.	*			trans	-138.9	122.2	157.6	106.6	0	0	0	0	105.9	K121 K190	K121-V185 HydrophobicContact CB-CG2 4.4Å; K121-V185 HydrophobicContact CD-CB 3.99Å; K121-V185 HydrophobicContact CD-CG2 3.59Å; K121-V185 HydrophobicContact CG-CG2 3.87Å; V185-K190 HydrophobicContact CG1-CG 4.16Å
186	D	56.2	Low	46.8	Very low	64 Å²	64	101.9 Å²	101.9	34%	0.342	59%	0.588	S	S	.	*			trans	-59.4	136.5	-177.8	170.5	25	0	0	0	110.2	D188 S189 K190 R192	D186-D188 PolarHBondContact O-N 3.34Å; D186-D188 PolarHBondContact OD1-N 3.06Å; D186-D188 WeakPolarHBondContact OD2-CB 3.42Å; D186-S189 WeakPolarHBondContact O-CA 3.36Å; D186-S189 WeakPolarHBondContact O-CB 3.38Å; D186-S189 PolarHBondContact O-N 2.95Å; D186-S189 PolarHBondContact O-OG 2.66Å; D186-K190 PolarHBondContact O-N 3.19Å; D186-R192 IonicContact OD2-CZ 2.69Å; D186-R192 IonicContact OD2-NH2 2.72Å; D186-R192 PolarHBondContact OD2-NH2 3.08Å
187	Q	58.1	Low	47.9	Very low	141 Å²	141	99.2 Å²	99.2	66%	0.659	57%	0.569	S	S	*	*	H	α-helix	trans	-64.1	-34.9	-177.2	-173.1	162.8	-31.5	0	0	110.9	S189 K190 Q191	Q187-S189 PolarHBondContact O-N 3.44Å; Q187-K190 WeakPolarHBondContact O-CB 3.38Å; Q187-K190 PolarHBondContact O-N 3.12Å; Q187-Q191 PolarHBondContact O-N 2.93Å; Q187-Q191 VanDerWaalsContact O-N 3.07Å
188	D	51.3	Low	49.2	Very low	86 Å²	86	99.3 Å²	99.3	46%	0.46	55%	0.553	S	S	.	*	H	α-helix	trans	-62	-30.1	171.5	-65.7	3.4	0	0	0	112	D186 K190 Q191 R192	D186-D188 PolarHBondContact O-N 3.34Å; D186-D188 PolarHBondContact OD1-N 3.06Å; D186-D188 WeakPolarHBondContact OD2-CB 3.42Å; D188-K190 VanDerWaalsContact C-N 3.34Å; D188-Q191 PolarHBondContact O-N 2.73Å; D188-R192 VanDerWaalsContact CB-NH2 3.28Å; D188-R192 VanDerWaalsContact O-CB 3.26Å; D188-R192 WeakPolarHBondContact O-CB 3.25Å; D188-R192 VanDerWaalsContact O-CG 3.23Å; D188-R192 WeakPolarHBondContact O-CG 3.45Å; D188-R192 PolarHBondContact O-N 2.84Å; D188-R192 PolarHBondContact O-NE 3.36Å; D188-R192 IonicContact OD2-CZ 2.82Å; D188-R192 IonicContact OD2-NH1 2.67Å; D188-R192 PolarHBondContact OD2-NH1 2.79Å; D188-R192 VanDerWaalsContact OD2-NH1 3.12Å
189	S	61.8	Low	50.6	Low	31 Å²	31	96.3 Å²	96.3	22%	0.217	53%	0.525	C	S	.	.	H	α-helix	trans	-68	-35.5	178	76.2	0	0	0	0	111.8	D186 Q187 I193	D186-S189 WeakPolarHBondContact O-CA 3.36Å; D186-S189 WeakPolarHBondContact O-CB 3.38Å; D186-S189 PolarHBondContact O-N 2.95Å; D186-S189 PolarHBondContact O-OG 2.66Å; Q187-S189 PolarHBondContact O-N 3.44Å; S189-I193 WeakPolarHBondContact O-CG1 3.48Å; S189-I193 PolarHBondContact O-N 3.22Å
190	K	59.6	Low	52	Low	79 Å²	79	87.7 Å²	87.7	34%	0.343	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-47.9	169	-68.6	-173.4	174.8	-174.2	0	110.7	F117 V185 D186 Q187 D188 I193 A194 M552	F117-K190 HydrophobicContact CD1-CG 4.47Å; F117-K190 HydrophobicContact CE1-CB 4.4Å; F117-K190 HydrophobicContact CE1-CG 4.47Å; V185-K190 HydrophobicContact CG1-CG 4.16Å; D186-K190 PolarHBondContact O-N 3.19Å; Q187-K190 WeakPolarHBondContact O-CB 3.38Å; Q187-K190 PolarHBondContact O-N 3.12Å; D188-K190 VanDerWaalsContact C-N 3.34Å; K190-I193 PolarHBondContact O-N 3Å; K190-A194 WeakPolarHBondContact O-CB 3.4Å; K190-A194 PolarHBondContact O-N 2.82Å; K190-M552 PolarHBondContact NZ-SD 2.58Å; K190-M552 VanDerWaalsContact NZ-SD 3.44Å
191	Q	61.9	Low	53.4	Low	125 Å²	125	88.6 Å²	88.6	58%	0.584	47%	0.474	S	S	*	.	H	α-helix	trans	-70.1	-35	-175.2	-161.7	157.1	-5.4	0	0	113.1	Q187 D188 A194 H195	Q187-Q191 PolarHBondContact O-N 2.93Å; Q187-Q191 VanDerWaalsContact O-N 3.07Å; D188-Q191 PolarHBondContact O-N 2.73Å; Q191-A194 PolarHBondContact O-N 2.69Å; Q191-H195 VanDerWaalsContact O-CB 3.27Å; Q191-H195 WeakPolarHBondContact O-CB 3.29Å; Q191-H195 PolarHBondContact O-N 3.06Å
192	R	55.3	Low	55	Low	141 Å²	141	85.2 Å²	85.2	53%	0.532	45%	0.446	S	S	.	.	H	α-helix	trans	-63.4	-40.8	172.4	-76.4	-177.6	-74.4	-105.6	0.7	112	D186 D188 M196	D186-R192 IonicContact OD2-CZ 2.69Å; D186-R192 IonicContact OD2-NH2 2.72Å; D186-R192 PolarHBondContact OD2-NH2 3.08Å; D188-R192 VanDerWaalsContact CB-NH2 3.28Å; D188-R192 VanDerWaalsContact O-CB 3.26Å; D188-R192 WeakPolarHBondContact O-CB 3.25Å; D188-R192 VanDerWaalsContact O-CG 3.23Å; D188-R192 WeakPolarHBondContact O-CG 3.45Å; D188-R192 PolarHBondContact O-N 2.84Å; D188-R192 PolarHBondContact O-NE 3.36Å; D188-R192 IonicContact OD2-CZ 2.82Å; D188-R192 IonicContact OD2-NH1 2.67Å; D188-R192 PolarHBondContact OD2-NH1 2.79Å; D188-R192 VanDerWaalsContact OD2-NH1 3.12Å; R192-M196 WeakPolarHBondContact O-CB 3.43Å; R192-M196 PolarHBondContact O-N 2.72Å
193	I	54.2	Low	56.9	Low	58 Å²	58	84 Å²	84	30%	0.297	43%	0.431	S	S	.	.	H	α-helix	trans	-74.3	-38.4	176.9	-64.2	167.8	0	0	0	111.3	F117 S189 K190 M196 I197	F117-I193 HydrophobicContact CD1-CD1 4.3Å; F117-I193 HydrophobicContact CE1-CB 3.58Å; F117-I193 HydrophobicContact CE1-CD1 3.83Å; F117-I193 HydrophobicContact CE1-CG1 4.29Å; F117-I193 HydrophobicContact CE1-CG2 3.59Å; F117-I193 HydrophobicContact CE2-CG2 4.2Å; F117-I193 HydrophobicContact CZ-CB 3.68Å; F117-I193 HydrophobicContact CZ-CG2 3.37Å; S189-I193 WeakPolarHBondContact O-CG1 3.48Å; S189-I193 PolarHBondContact O-N 3.22Å; K190-I193 PolarHBondContact O-N 3Å; I193-M196 HydrophobicContact CG2-CE 4.2Å; I193-M196 WeakPolarHBondContact O-CB 3.25Å; I193-M196 PolarHBondContact O-N 2.65Å; I193-I197 HydrophobicContact CG2-CD1 4.05Å; I193-I197 WeakPolarHBondContact O-CG1 3.23Å; I193-I197 PolarHBondContact O-N 2.92Å
194	A	56.2	Low	58.7	Low	39 Å²	39	79 Å²	79	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-58.6	-51.3	172.1	0	0	0	0	0	111	K190 Q191 M196 I197 D198	K190-A194 WeakPolarHBondContact O-CB 3.4Å; K190-A194 PolarHBondContact O-N 2.82Å; Q191-A194 PolarHBondContact O-N 2.69Å; A194-M196 PolarHBondContact O-N 3.02Å; A194-I197 WeakPolarHBondContact O-CA 3.4Å; A194-I197 WeakPolarHBondContact O-CB 3.31Å; A194-I197 PolarHBondContact O-N 2.92Å; A194-D198 PolarHBondContact O-N 2.8Å
195	H	54.6	Low	60.8	Low	124 Å²	124	71.5 Å²	71.5	57%	0.574	37%	0.37	S	S	*	.	H	α-helix	trans	-62.9	-27.1	177.6	-158.8	-45.8	0	0	0	112.7	Q191 S199	Q191-H195 VanDerWaalsContact O-CB 3.27Å; Q191-H195 WeakPolarHBondContact O-CB 3.29Å; Q191-H195 PolarHBondContact O-N 3.06Å; H195-S199 VanDerWaalsContact O-CB 3.3Å; H195-S199 WeakPolarHBondContact O-CB 3.26Å; H195-S199 PolarHBondContact O-N 2.94Å; H195-S199 PolarHBondContact O-OG 2.85Å
196	M	54.7	Low	62.8	Low	75 Å²	75	71.1 Å²	71.1	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-69.1	-48.9	169.1	-178.7	-178.7	69.6	0	0	111.3	F163 R192 I193 A194 D198 S199 L200	F163-M196 HydrophobicContact CD2-CE 4.19Å; F163-M196 HydrophobicContact CE2-CE 3.7Å; R192-M196 WeakPolarHBondContact O-CB 3.43Å; R192-M196 PolarHBondContact O-N 2.72Å; I193-M196 HydrophobicContact CG2-CE 4.2Å; I193-M196 WeakPolarHBondContact O-CB 3.25Å; I193-M196 PolarHBondContact O-N 2.65Å; A194-M196 PolarHBondContact O-N 3.02Å; M196-D198 VanDerWaalsContact C-N 3.35Å; M196-D198 PolarHBondContact O-N 2.79Å; M196-S199 CarbonylContact O-C 3.56Å; M196-S199 WeakPolarHBondContact O-CA 3.14Å; M196-S199 WeakPolarHBondContact O-CB 3.42Å; M196-S199 PolarHBondContact O-N 2.95Å; M196-S199 VanDerWaalsContact O-N 3.1Å; M196-L200 WeakPolarHBondContact O-CG 3.48Å; M196-L200 PolarHBondContact O-N 3.21Å
197	I	57.2	Low	64.5	Low	70 Å²	70	69.2 Å²	69.2	36%	0.359	36%	0.356	S	S	.	.	H	α-helix	trans	-58.6	-46.2	176.5	-68.3	164.4	0	0	0	110.7	F117 I193 A194 S199 L200 I201	F117-I197 HydrophobicContact CE2-CD1 4.46Å; I193-I197 HydrophobicContact CG2-CD1 4.05Å; I193-I197 WeakPolarHBondContact O-CG1 3.23Å; I193-I197 PolarHBondContact O-N 2.92Å; A194-I197 WeakPolarHBondContact O-CA 3.4Å; A194-I197 WeakPolarHBondContact O-CB 3.31Å; A194-I197 PolarHBondContact O-N 2.92Å; I197-S199 VanDerWaalsContact C-N 3.29Å; I197-S199 PolarHBondContact O-N 2.77Å; I197-L200 WeakPolarHBondContact O-CB 3.33Å; I197-L200 PolarHBondContact O-N 3.09Å; I197-I201 HydrophobicContact CG2-CD1 3.76Å; I197-I201 HydrophobicContact CG2-CG1 4.44Å; I197-I201 WeakPolarHBondContact O-CG1 3.47Å; I197-I201 PolarHBondContact O-N 3.41Å
198	D	61.3	Low	66.2	Low	75 Å²	75	63.9 Å²	63.9	40%	0.401	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-41.9	174.6	-65.2	-35.4	0	0	0	111.2	A194 M196 L200 I201 A202	A194-D198 PolarHBondContact O-N 2.8Å; M196-D198 VanDerWaalsContact C-N 3.35Å; M196-D198 PolarHBondContact O-N 2.79Å; D198-L200 VanDerWaalsContact C-N 3.32Å; D198-L200 PolarHBondContact O-N 2.95Å; D198-I201 PolarHBondContact O-N 2.97Å; D198-A202 WeakPolarHBondContact O-CB 3.35Å; D198-A202 PolarHBondContact O-N 3.33Å
199	S	61.3	Low	68.3	Low	43 Å²	43	63.6 Å²	63.6	30%	0.301	32%	0.324	S	S	.	.	H	α-helix	trans	-66.4	-30.7	175.5	-59	0	0	0	0	112.9	H195 M196 I197 Q203	H195-S199 VanDerWaalsContact O-CB 3.3Å; H195-S199 WeakPolarHBondContact O-CB 3.26Å; H195-S199 PolarHBondContact O-N 2.94Å; H195-S199 PolarHBondContact O-OG 2.85Å; M196-S199 CarbonylContact O-C 3.56Å; M196-S199 WeakPolarHBondContact O-CA 3.14Å; M196-S199 WeakPolarHBondContact O-CB 3.42Å; M196-S199 PolarHBondContact O-N 2.95Å; M196-S199 VanDerWaalsContact O-N 3.1Å; I197-S199 VanDerWaalsContact C-N 3.29Å; I197-S199 PolarHBondContact O-N 2.77Å; S199-Q203 WeakPolarHBondContact O-CB 3.37Å; S199-Q203 WeakPolarHBondContact O-CG 3.47Å; S199-Q203 PolarHBondContact O-N 2.85Å; S199-Q203 PolarHBondContact O-NE2 2.79Å
200	L	61.4	Low	69.8	Low	30 Å²	30	66.8 Å²	66.8	16%	0.157	34%	0.339	C	S	.	.	H	α-helix	trans	-73.9	-44.6	174.3	-66.5	-175.5	0	0	0	111	W78 F163 M196 I197 D198 A202 Q203 T204	W78-L200 HydrophobicContact CD2-CD2 4.09Å; W78-L200 VanDerWaalsContact CE2-CD2 3.48Å; W78-L200 HydrophobicContact CG-CD2 4.44Å; W78-L200 HydrophobicContact CH2-CD1 4.01Å; W78-L200 HydrophobicContact CZ2-CD1 3.96Å; W78-L200 HydrophobicContact CZ2-CD2 3.77Å; W78-L200 HydrophobicContact CZ2-CG 4.49Å; W78-L200 HydrophobicContact CZ3-CD1 4.43Å; F163-L200 HydrophobicContact CZ-CD1 4.35Å; M196-L200 WeakPolarHBondContact O-CG 3.48Å; M196-L200 PolarHBondContact O-N 3.21Å; I197-L200 WeakPolarHBondContact O-CB 3.33Å; I197-L200 PolarHBondContact O-N 3.09Å; D198-L200 VanDerWaalsContact C-N 3.32Å; D198-L200 PolarHBondContact O-N 2.95Å; L200-A202 VanDerWaalsContact C-N 3.3Å; L200-A202 PolarHBondContact O-N 2.99Å; L200-Q203 CarbonylContact O-C 3.55Å; L200-Q203 PolarHBondContact O-N 2.92Å; L200-Q203 VanDerWaalsContact O-N 3.09Å; L200-T204 WeakPolarHBondContact O-CB 3.32Å; L200-T204 PolarHBondContact O-N 3.44Å; L200-T204 PolarHBondContact O-OG1 3.2Å
201	I	65.9	Low	71.5	Confident	101 Å²	101	63.4 Å²	63.4	52%	0.518	33%	0.325	S	S	.	.	H	α-helix	trans	-64.8	-34.5	176.2	-65	168.4	0	0	0	111.4	I197 D198 Q203 K305	I197-I201 HydrophobicContact CG2-CD1 3.76Å; I197-I201 HydrophobicContact CG2-CG1 4.44Å; I197-I201 WeakPolarHBondContact O-CG1 3.47Å; I197-I201 PolarHBondContact O-N 3.41Å; D198-I201 PolarHBondContact O-N 2.97Å; I201-Q203 VanDerWaalsContact C-N 3.29Å; I201-Q203 PolarHBondContact O-N 3.45Å; I201-K305 PolarHBondContact O-NZ 3.15Å
202	A	66.1	Low	73.2	Confident	37 Å²	37	58.5 Å²	58.5	31%	0.306	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-20	173.8	0	0	0	0	0	113.8	D198 L200 N241 L303	D198-A202 WeakPolarHBondContact O-CB 3.35Å; D198-A202 PolarHBondContact O-N 3.33Å; L200-A202 VanDerWaalsContact C-N 3.3Å; L200-A202 PolarHBondContact O-N 2.99Å; A202-N241 PolarHBondContact O-ND2 3.01Å; A202-N241 PolarHBondContact O-OD1 3.08Å; A202-L303 HydrophobicContact CB-CD1 4.11Å
203	Q	70.3	Confident	75.1	Confident	53 Å²	53	55 Å²	55	25%	0.248	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-21.8	177	-69.3	178.4	74.5	0	0	113.3	S199 L200 I201 T205 N241 Y243	S199-Q203 WeakPolarHBondContact O-CB 3.37Å; S199-Q203 WeakPolarHBondContact O-CG 3.47Å; S199-Q203 PolarHBondContact O-N 2.85Å; S199-Q203 PolarHBondContact O-NE2 2.79Å; L200-Q203 CarbonylContact O-C 3.55Å; L200-Q203 PolarHBondContact O-N 2.92Å; L200-Q203 VanDerWaalsContact O-N 3.09Å; I201-Q203 VanDerWaalsContact C-N 3.29Å; I201-Q203 PolarHBondContact O-N 3.45Å; Q203-T205 PolarHBondContact O-N 2.9Å; Q203-N241 PolarHBondContact O-ND2 3.28Å; Q203-Y243 VanDerWaalsContact CG-OH 3.29Å; Q203-Y243 WeakPolarHBondContact CG-OH 3.31Å; Q203-Y243 PolarHBondContact OE1-OH 3.45Å
204	T	75.7	Confident	77	Confident	22 Å²	22	53.3 Å²	53.3	14%	0.135	29%	0.286	C	S	.	.			trans	-59.7	130.5	-178.1	-64	0	0	0	0	111.3	W78 V80 L200 I206 N241	W78-T204 WeakPolarHBondContact O-CA 3.42Å; V80-T204 HydrophobicContact CG2-CG2 3.99Å; L200-T204 WeakPolarHBondContact O-CB 3.32Å; L200-T204 PolarHBondContact O-N 3.44Å; L200-T204 PolarHBondContact O-OG1 3.2Å; T204-I206 HydrophobicContact CG2-CG1 4.1Å; T204-N241 PolarHBondContact O-ND2 2.99Å
205	T	86.1	Confident	78.8	Confident	41 Å²	41	55 Å²	55	25%	0.252	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.2	166.3	56.9	0	0	0	0	109	W78 S79 V80 Q203 I239	W78-T205 PolarHBondContact O-N 3.04Å; W78-T205 PolarHBondContact O-OG1 2.81Å; W78-T205 VanDerWaalsContact O-OG1 3.12Å; S79-T205 CarbonylContact C-O 3.58Å; S79-T205 WeakPolarHBondContact CA-O 3.29Å; S79-T205 WeakPolarHBondContact CA-OG1 3.47Å; S79-T205 WeakPolarHBondContact CB-OG1 3.4Å; S79-T205 PolarHBondContact OG-OG1 2.94Å; V80-T205 PolarHBondContact N-O 3.28Å; Q203-T205 PolarHBondContact O-N 2.9Å; T205-I239 CarbonylContact C-O 3.57Å; T205-I239 WeakPolarHBondContact CA-O 3.48Å
206	I	89.1	Confident	80.6	Confident	59 Å²	59	49.3 Å²	49.3	30%	0.303	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.3	178.3	-56.9	175.9	0	0	0	107.4	V80 T204 L208 S238 I239	V80-I206 CarbonylContact O-C 3.57Å; V80-I206 WeakPolarHBondContact O-CA 3.23Å; T204-I206 HydrophobicContact CG2-CG1 4.1Å; I206-L208 HydrophobicContact CG2-CD2 3.67Å; I206-L208 HydrophobicContact CG2-CG 4.46Å; I206-S238 CarbonylContact O-C 3.51Å; I206-S238 WeakPolarHBondContact O-CA 3.23Å; I206-I239 HydrophobicContact CB-CB 4.38Å; I206-I239 PolarHBondContact N-O 2.91Å; I206-I239 PolarHBondContact O-N 2.91Å
207	V	92.1	Very high	82.3	Confident	23 Å²	23	45.8 Å²	45.8	14%	0.139	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	114.7	177.2	178.1	0	0	0	0	107.8	V80 E81 I82 R209 H236 L237	V80-V207 PolarHBondContact O-N 3.23Å; E81-V207 CarbonylContact C-O 3.54Å; E81-V207 VanDerWaalsContact CA-O 3.27Å; E81-V207 WeakPolarHBondContact CA-O 3.47Å; E81-V207 HydrophobicContact CB-CB 4.47Å; E81-V207 HydrophobicContact CG-CB 4.26Å; E81-V207 HydrophobicContact CG-CG1 4.24Å; I82-V207 PolarHBondContact N-O 3.44Å; V207-R209 HydrophobicContact CG1-CG 4.39Å; V207-H236 WeakPolarHBondContact CG1-NE2 3.39Å; V207-L237 CarbonylContact C-O 3.54Å
208	L	94.2	Very high	83.8	Confident	30 Å²	30	44.4 Å²	44.4	16%	0.157	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.4	170.4	-39.8	-176	0	0	0	108.7	I82 I85 I206 V211 H236 L237	I82-L208 HydrophobicContact CB-CD2 3.85Å; I82-L208 HydrophobicContact CD1-CD2 3.9Å; I82-L208 HydrophobicContact CG1-CD2 4.05Å; I82-L208 CarbonylContact O-C 3.59Å; I82-L208 VanDerWaalsContact O-CA 3.31Å; I82-L208 WeakPolarHBondContact O-CA 3.45Å; I85-L208 HydrophobicContact CD1-CB 4.43Å; I85-L208 HydrophobicContact CD1-CD1 4.1Å; I85-L208 HydrophobicContact CD1-CD2 4.22Å; I85-L208 HydrophobicContact CD1-CG 4.49Å; I206-L208 HydrophobicContact CG2-CD2 3.67Å; I206-L208 HydrophobicContact CG2-CG 4.46Å; L208-V211 HydrophobicContact CB-CG2 3.47Å; L208-V211 VanDerWaalsContact CB-CG2 3.47Å; L208-V211 HydrophobicContact CD1-CG2 4.15Å; L208-V211 HydrophobicContact CG-CG2 4.47Å; L208-H236 WeakPolarHBondContact O-CA 3.36Å; L208-L237 HydrophobicContact CB-CB 4.3Å; L208-L237 HydrophobicContact CD1-CD2 3.94Å; L208-L237 HydrophobicContact CG-CD2 4.46Å; L208-L237 PolarHBondContact N-O 2.83Å; L208-L237 PolarHBondContact O-N 2.9Å
209	R	94.4	Very high	84.8	Confident	79 Å²	79	40.9 Å²	40.9	30%	0.298	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.8	169.6	-57.8	-169.4	-175	-68.5	-15.6	110.3	E81 I82 K83 G84 V207 V211 K235 H236	E81-R209 IonicContact OE1-CZ 3.17Å; E81-R209 IonicContact OE1-NE 3.74Å; E81-R209 PolarHBondContact OE1-NE 3.21Å; E81-R209 IonicContact OE1-NH2 2.73Å; E81-R209 PolarHBondContact OE1-NH2 2.87Å; I82-R209 PolarHBondContact O-N 3.21Å; K83-R209 CarbonylContact C-O 3.6Å; K83-R209 WeakPolarHBondContact CA-O 3.43Å; K83-R209 HydrophobicContact CB-CB 4.35Å; K83-R209 HydrophobicContact CG-CB 4.12Å; K83-R209 HydrophobicContact CG-CG 4.43Å; G84-R209 PolarHBondContact N-O 2.82Å; V207-R209 HydrophobicContact CG1-CG 4.39Å; R209-V211 PolarHBondContact O-N 3.4Å; R209-K235 VanDerWaalsContact CA-O 3.29Å; R209-K235 WeakPolarHBondContact CA-O 3.48Å; R209-H236 PolarHBondContact NH1-CD2 3.36Å; R209-H236 PolarHBondContact NH1-NE2 2.96Å
210	D	94.9	Very high	85.5	Confident	98 Å²	98	43.5 Å²	43.5	52%	0.524	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50	59.6	173.3	-50.6	-59.7	0	0	0	111.1	G84 I85 I234 K235	G84-D210 CarbonylContact C-O 3.52Å; G84-D210 VanDerWaalsContact CA-O 3.23Å; G84-D210 WeakPolarHBondContact CA-O 2.9Å; G84-D210 PolarHBondContact N-O 3.46Å; I85-D210 PolarHBondContact N-O 3.14Å; I85-D210 VanDerWaalsContact N-O 3.14Å; D210-I234 PolarHBondContact N-O 3.19Å; D210-K235 PolarHBondContact N-O 3.05Å
211	V	95.4	Very high	86	Confident	8 Å²	8	43.3 Å²	43.3	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.9	-178.5	-177.9	0	0	0	0	109.1	I85 L208 R209 I213 T233 I234	I85-V211 HydrophobicContact CB-CG1 4.19Å; I85-V211 HydrophobicContact CB-CG2 4.47Å; I85-V211 HydrophobicContact CD1-CG1 4.39Å; I85-V211 HydrophobicContact CD1-CG2 4Å; I85-V211 HydrophobicContact CG1-CG2 4.33Å; I85-V211 HydrophobicContact CG2-CG1 4.5Å; L208-V211 HydrophobicContact CB-CG2 3.47Å; L208-V211 VanDerWaalsContact CB-CG2 3.47Å; L208-V211 HydrophobicContact CD1-CG2 4.15Å; L208-V211 HydrophobicContact CG-CG2 4.47Å; R209-V211 PolarHBondContact O-N 3.4Å; V211-I213 HydrophobicContact CG1-CD1 4.13Å; V211-I213 HydrophobicContact CG1-CG1 4.05Å; V211-T233 CarbonylContact O-C 3.6Å; V211-T233 VanDerWaalsContact O-CA 3.23Å; V211-T233 WeakPolarHBondContact O-CA 3.32Å; V211-I234 HydrophobicContact CB-CB 4.3Å; V211-I234 PolarHBondContact N-O 2.97Å; V211-I234 PolarHBondContact O-N 3.31Å
212	S	96.2	Very high	86.1	Confident	23 Å²	23	42.4 Å²	42.4	16%	0.161	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.4	173	170.1	0	0	0	0	108.9	I85 D86 F87	I85-S212 WeakPolarHBondContact O-CB 3.43Å; I85-S212 PolarHBondContact O-N 3.21Å; D86-S212 WeakPolarHBondContact OD1-CB 3.35Å; D86-S212 PolarHBondContact OD1-OG 2.84Å; F87-S212 PolarHBondContact N-O 2.84Å
213	I	95.2	Very high	86.1	Confident	68 Å²	68	44.4 Å²	44.4	35%	0.349	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.3	173.2	-60.1	173.8	0	0	0	108.1	F87 V211 L232	F87-I213 WeakPolarHBondContact O-CA 3.48Å; V211-I213 HydrophobicContact CG1-CD1 4.13Å; V211-I213 HydrophobicContact CG1-CG1 4.05Å; I213-L232 PolarHBondContact N-O 3.17Å; I213-L232 PolarHBondContact O-N 3.06Å
214	R	94.6	Very high	86.3	Confident	21 Å²	21	45.6 Å²	45.6	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.9	-175.8	178.6	178.1	176.7	86.2	12.5	110.7	F87 V88 V89 E216 L230 T231 D317 W319 P352	F87-R214 PolarHBondContact O-N 3.34Å; V88-R214 HydrophobicContact CB-CB 4.41Å; V88-R214 HydrophobicContact CG1-CB 4.26Å; V88-R214 HydrophobicContact CG1-CG 4.07Å; V88-R214 HydrophobicContact CG2-CB 4.1Å; V88-R214 HydrophobicContact CG2-CG 4.49Å; V89-R214 WeakPolarHBondContact CG2-O 3.19Å; V89-R214 PolarHBondContact N-O 2.66Å; R214-E216 HydrophobicContact CG-CG 4.05Å; R214-E216 IonicContact CZ-OE1 3.5Å; R214-E216 IonicContact NE-OE1 2.73Å; R214-E216 PolarHBondContact NE-OE1 3.45Å; R214-E216 IonicContact NH2-OE1 2.66Å; R214-E216 PolarHBondContact NH2-OE1 3.36Å; R214-L230 CarbonylContact C-O 3.53Å; R214-L230 WeakPolarHBondContact CA-O 3.4Å; R214-T231 HydrophobicContact CB-CG2 4.18Å; R214-T231 WeakPolarHBondContact CG-OG1 3.35Å; R214-T231 PolarHBondContact NH1-OG1 2.6Å; R214-D317 IonicContact CZ-OD2 2.82Å; R214-D317 IonicContact NH1-OD2 3.61Å; R214-D317 PolarHBondContact NH1-OD2 2.91Å; R214-D317 IonicContact NH2-OD2 3.65Å; R214-W319 VanDerWaalsContact NH2-CH2 3.28Å; R214-P352 VanDerWaalsContact NH2-CG 3.32Å
215	I	93.4	Very high	86.6	Confident	74 Å²	74	48.9 Å²	48.9	38%	0.379	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.2	174.9	-56	175.5	0	0	0	108.3	V89 G229 L230 M446	V89-I215 HydrophobicContact CG2-CB 4.46Å; V89-I215 HydrophobicContact CG2-CG1 3.97Å; V89-I215 CarbonylContact O-C 3.58Å; V89-I215 WeakPolarHBondContact O-CA 3.46Å; I215-G229 CarbonylContact O-C 3.56Å; I215-G229 VanDerWaalsContact O-CA 3.25Å; I215-G229 WeakPolarHBondContact O-CA 3.13Å; I215-L230 PolarHBondContact N-O 2.78Å; I215-L230 PolarHBondContact O-N 3.44Å; I215-M446 WeakPolarHBondContact O-CE 3.47Å
216	E	93	Very high	86.6	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.028	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140.3	179.3	-53.6	-161.9	126.2	0	0	111.2	V88 V89 Q90 A91 R214 W319 P352	V88-E216 HydrophobicContact CG1-CG 3.98Å; V89-E216 PolarHBondContact O-N 3.45Å; Q90-E216 WeakPolarHBondContact CA-O 3.48Å; Q90-E216 HydrophobicContact CB-CB 4.39Å; A91-E216 PolarHBondContact N-O 3.21Å; R214-E216 HydrophobicContact CG-CG 4.05Å; R214-E216 IonicContact CZ-OE1 3.5Å; R214-E216 IonicContact NE-OE1 2.73Å; R214-E216 PolarHBondContact NE-OE1 3.45Å; R214-E216 IonicContact NH2-OE1 2.66Å; R214-E216 PolarHBondContact NH2-OE1 3.36Å; E216-W319 HydrophobicContact CB-CH2 3.9Å; E216-W319 HydrophobicContact CB-CZ2 4.1Å; E216-W319 HydrophobicContact CG-CH2 3.8Å; E216-W319 HydrophobicContact CG-CZ2 4.14Å; E216-W319 VanDerWaalsContact OE1-CH2 3.25Å; E216-W319 WeakPolarHBondContact OE1-CH2 3.49Å; E216-W319 VanDerWaalsContact OE1-CZ2 3.29Å; E216-W319 WeakPolarHBondContact OE1-CZ2 3.41Å; E216-P352 VanDerWaalsContact OE1-CD 3.23Å; E216-P352 WeakPolarHBondContact OE1-CD 3.49Å
217	C	90.6	Very high	86.7	Confident	1 Å²	1	46 Å²	46	1%	0.007	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	123.4	-179.2	-170.2	0	0	0	0	110.4	A227 S228 M446 L450	C217-A227 WeakPolarHBondContact O-CA 3.45Å; C217-S228 PolarHBondContact N-O 3.41Å; C217-S228 PolarHBondContact O-N 2.94Å; C217-M446 HydrophobicContact CB-CE 4.04Å; C217-M446 HydrophobicContact CB-CG 3.98Å; C217-L450 HydrophobicContact CB-CD2 4.34Å; C217-L450 HydrophobicContact CB-CG 4.45Å
218	E	87.4	Confident	86.7	Confident	41 Å²	41	44.9 Å²	44.9	19%	0.192	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.6	172	-179.5	177.1	-121.8	0	0	109.8	R220	E218-R220 HydrophobicContact CG-CG 4.29Å; E218-R220 IonicContact OE2-CZ 2.76Å; E218-R220 IonicContact OE2-NE 3.4Å; E218-R220 IonicContact OE2-NH2 2.66Å; E218-R220 PolarHBondContact OE2-NH2 2.98Å
219	L	83.5	Confident	86.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.			trans	-88.1	-6.2	-164	-62.5	174.5	0	0	0	115	L221 R226 L318 W442 M445 M446	L219-L221 PolarHBondContact O-N 3.34Å; L219-R226 HydrophobicContact CD1-CB 4.26Å; L219-R226 PolarHBondContact N-O 3.48Å; L219-L318 HydrophobicContact CD1-CD1 4.27Å; L219-W442 HydrophobicContact CD1-CE3 3.48Å; L219-W442 VanDerWaalsContact CD1-CE3 3.48Å; L219-W442 HydrophobicContact CD1-CZ3 3.74Å; L219-M445 HydrophobicContact CD2-CB 4.43Å; L219-M445 HydrophobicContact CD2-CG 4.23Å; L219-M446 HydrophobicContact CD2-CB 4.02Å
220	R	75.5	Confident	86.7	Confident	99 Å²	99	41.4 Å²	41.4	37%	0.374	23%	0.231	S	C	.	.			trans	43.1	34.2	174.7	-62.9	-164.6	178.5	76.6	23.7	116.1	E218	E218-R220 HydrophobicContact CG-CG 4.29Å; E218-R220 IonicContact OE2-CZ 2.76Å; E218-R220 IonicContact OE2-NE 3.4Å; E218-R220 IonicContact OE2-NH2 2.66Å; E218-R220 PolarHBondContact OE2-NH2 2.98Å
221	L	71.8	Confident	86.7	Confident	26 Å²	26	37.5 Å²	37.5	14%	0.136	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-74.2	123.5	172.8	-73.6	166.9	0	0	0	109	L219 G223 I224 W442 M445 A969	L219-L221 PolarHBondContact O-N 3.34Å; L221-G223 PolarHBondContact O-N 2.93Å; L221-I224 HydrophobicContact CB-CB 3.92Å; L221-I224 HydrophobicContact CD1-CG2 4.44Å; L221-I224 PolarHBondContact O-N 2.89Å; L221-W442 HydrophobicContact CD1-CH2 4.37Å; L221-W442 HydrophobicContact CD1-CZ3 3.8Å; L221-M445 HydrophobicContact CD1-CG 4.47Å; L221-M445 HydrophobicContact CD2-CE 3.8Å; L221-M445 HydrophobicContact CD2-SD 4.25Å; L221-M445 HydrophobicContact CG-CE 4.26Å; L221-A969 HydrophobicContact CD2-CB 4.34Å
222	P	67.6	Low	86.8	Confident	81 Å²	81	40.3 Å²	40.3	53%	0.526	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	125.5	178.6	20.5	-30.5	0	0	0	110.7	I224 W987	P222-I224 VanDerWaalsContact C-N 3.31Å; P222-I224 PolarHBondContact O-N 3.4Å; P222-W987 HydrophobicContact CB-CH2 4.43Å; P222-W987 HydrophobicContact CB-CZ3 4.19Å; P222-W987 HydrophobicContact CG-CH2 3.72Å; P222-W987 HydrophobicContact CG-CZ2 4.24Å; P222-W987 HydrophobicContact CG-CZ3 3.94Å; P222-W987 VanDerWaalsContact O-CZ3 3.25Å; P222-W987 WeakPolarHBondContact O-CZ3 3.45Å
223	G	67.9	Low	86.7	Confident	80 Å²	80	41.1 Å²	41.1	83%	0.825	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	3	-177.3	0	0	0	0	0	116	L221	L221-G223 PolarHBondContact O-N 2.93Å
224	I	73.2	Confident	86.7	Confident	77 Å²	77	39 Å²	39	40%	0.395	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-131.5	89	-179.2	-61.1	-179.7	0	0	0	110.3	L221 P222 R226 W442	L221-I224 HydrophobicContact CB-CB 3.92Å; L221-I224 HydrophobicContact CD1-CG2 4.44Å; L221-I224 PolarHBondContact O-N 2.89Å; P222-I224 VanDerWaalsContact C-N 3.31Å; P222-I224 PolarHBondContact O-N 3.4Å; I224-R226 HydrophobicContact CG2-CB 4.4Å; I224-R226 HydrophobicContact CG2-CG 3.52Å; I224-R226 PolarHBondContact O-N 3.37Å; I224-W442 HydrophobicContact CG2-CH2 4.19Å
225	D	82.3	Confident	86.7	Confident	91 Å²	91	42.9 Å²	42.9	49%	0.487	24%	0.236	S	C	.	.			trans	-72.9	84.1	178.7	-70.6	-7.8	0	0	0	111.4	S320 T321	D225-S320 VanDerWaalsContact O-CA 3.26Å; D225-S320 WeakPolarHBondContact O-CA 3.42Å; D225-S320 WeakPolarHBondContact O-CB 3.4Å; D225-S320 PolarHBondContact O-OG 3.41Å; D225-T321 VanDerWaalsContact C-OG1 3.31Å; D225-T321 WeakPolarHBondContact CB-OG1 3.41Å; D225-T321 PolarHBondContact O-N 3.45Å
226	R	87.2	Confident	86.7	Confident	37 Å²	37	40.4 Å²	40.4	14%	0.14	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.8	179.1	-58.7	-71.1	-171.7	-165.7	-2	112.3	L219 I224 L318 W319 W442	L219-R226 HydrophobicContact CD1-CB 4.26Å; L219-R226 PolarHBondContact N-O 3.48Å; I224-R226 HydrophobicContact CG2-CB 4.4Å; I224-R226 HydrophobicContact CG2-CG 3.52Å; I224-R226 PolarHBondContact O-N 3.37Å; R226-L318 HydrophobicContact CB-CD1 4.43Å; R226-W319 WeakPolarHBondContact CA-O 3.48Å; R226-W442 HydrophobicContact CB-CZ3 4.43Å; R226-W442 HydrophobicContact CG-CH2 4.17Å; R226-W442 HydrophobicContact CG-CZ3 4.44Å
227	A	89.8	Confident	86.7	Confident	2 Å²	2	41.6 Å²	41.6	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.2	166.8	0	0	0	0	0	110.3	C217 W319 T321	C217-A227 WeakPolarHBondContact O-CA 3.45Å; A227-W319 HydrophobicContact CB-CD2 4.12Å; A227-W319 HydrophobicContact CB-CH2 4.25Å; A227-W319 HydrophobicContact CB-CZ2 3.65Å; A227-W319 PolarHBondContact N-O 2.86Å; A227-W319 PolarHBondContact O-N 2.86Å; A227-T321 HydrophobicContact CB-CG2 3.86Å
228	S	92.3	Very high	86.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.7	-179	176.1	0	0	0	0	109.5	C217 W316 D317 M446	C217-S228 PolarHBondContact N-O 3.41Å; C217-S228 PolarHBondContact O-N 2.94Å; S228-W316 PolarHBondContact OG-NE1 3.27Å; S228-D317 WeakPolarHBondContact CA-O 3.37Å; S228-M446 PolarHBondContact OG-SD 2.96Å
229	G	92.8	Very high	86.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.3	-175.7	0	0	0	0	0	112.1	I215 W316 D317 W319	I215-G229 CarbonylContact O-C 3.56Å; I215-G229 VanDerWaalsContact O-CA 3.25Å; I215-G229 WeakPolarHBondContact O-CA 3.13Å; G229-W316 WeakPolarHBondContact O-CA 3.47Å; G229-D317 PolarHBondContact N-O 2.89Å; G229-D317 PolarHBondContact O-N 2.88Å; G229-W319 VanDerWaalsContact N-CZ3 3.32Å
230	L	95.2	Very high	87.1	Confident	36 Å²	36	44.6 Å²	44.6	19%	0.188	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.1	174.4	-75.1	171.6	0	0	0	109.1	R214 I215 L314 F315 W316 L363 L443 M446	R214-L230 CarbonylContact C-O 3.53Å; R214-L230 WeakPolarHBondContact CA-O 3.4Å; I215-L230 PolarHBondContact N-O 2.78Å; I215-L230 PolarHBondContact O-N 3.44Å; L230-L314 HydrophobicContact CB-CD1 4.38Å; L230-L314 HydrophobicContact CD2-CD1 4.33Å; L230-L314 HydrophobicContact CD2-CD2 4.38Å; L230-L314 HydrophobicContact CD2-CG 4.34Å; L230-F315 CarbonylContact C-O 3.52Å; L230-F315 WeakPolarHBondContact CA-O 3.47Å; L230-W316 HydrophobicContact CD2-CB 3.99Å; L230-L363 HydrophobicContact CD2-CD1 3.86Å; L230-L443 HydrophobicContact CD2-CD2 3.9Å; L230-M446 HydrophobicContact CB-CE 4.2Å; L230-M446 HydrophobicContact CD1-CE 4.01Å; L230-M446 HydrophobicContact CD1-SD 3.99Å; L230-M446 HydrophobicContact CG-CE 3.92Å; L230-M446 HydrophobicContact CG-SD 3.91Å
231	T	95.5	Very high	87.2	Confident	16 Å²	16	40.9 Å²	40.9	10%	0.098	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.6	178.7	-49.9	0	0	0	0	109.6	R214 T233 F315	R214-T231 HydrophobicContact CB-CG2 4.18Å; R214-T231 WeakPolarHBondContact CG-OG1 3.35Å; R214-T231 PolarHBondContact NH1-OG1 2.6Å; T231-T233 HydrophobicContact CG2-CG2 4.12Å; T231-F315 PolarHBondContact N-O 3.28Å; T231-F315 PolarHBondContact O-N 3.16Å
232	L	96.6	Very high	87	Confident	67 Å²	67	43.5 Å²	43.5	35%	0.351	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	117.2	171.4	174.9	62.7	0	0	0	108.8	I213 I234 L314	I213-L232 PolarHBondContact N-O 3.17Å; I213-L232 PolarHBondContact O-N 3.06Å; L232-I234 HydrophobicContact CD1-CG1 4.35Å; L232-I234 HydrophobicContact CD2-CD1 4.26Å; L232-I234 HydrophobicContact CG-CD1 4.37Å; L232-I234 HydrophobicContact CG-CG1 4.26Å; L232-L314 HydrophobicContact CB-CD1 4.35Å
233	T	95.9	Very high	86.3	Confident	40 Å²	40	46.5 Å²	46.5	25%	0.245	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.7	173.5	60.5	0	0	0	0	110.8	V211 T231 A312 D313 F315	V211-T233 CarbonylContact O-C 3.6Å; V211-T233 VanDerWaalsContact O-CA 3.23Å; V211-T233 WeakPolarHBondContact O-CA 3.32Å; T231-T233 HydrophobicContact CG2-CG2 4.12Å; T233-A312 CarbonylContact O-C 3.57Å; T233-A312 VanDerWaalsContact O-CA 3.32Å; T233-A312 WeakPolarHBondContact O-CA 3.29Å; T233-D313 PolarHBondContact N-O 3.02Å; T233-D313 PolarHBondContact O-N 2.87Å; T233-D313 PolarHBondContact OG1-O 3.35Å; T233-F315 HydrophobicContact CG2-CD2 4.42Å; T233-F315 HydrophobicContact CG2-CE2 4.34Å
234	I	95.1	Very high	85.1	Confident	24 Å²	24	52.3 Å²	52.3	12%	0.123	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.6	179.7	-61.9	170.3	0	0	0	108.8	D210 V211 L232 L237 L309 A312	D210-I234 PolarHBondContact N-O 3.19Å; V211-I234 HydrophobicContact CB-CB 4.3Å; V211-I234 PolarHBondContact N-O 2.97Å; V211-I234 PolarHBondContact O-N 3.31Å; L232-I234 HydrophobicContact CD1-CG1 4.35Å; L232-I234 HydrophobicContact CD2-CD1 4.26Å; L232-I234 HydrophobicContact CG-CD1 4.37Å; L232-I234 HydrophobicContact CG-CG1 4.26Å; I234-L237 HydrophobicContact CG2-CB 4.19Å; I234-L309 HydrophobicContact CB-CD1 4.36Å; I234-L309 HydrophobicContact CD1-CD1 4.03Å; I234-L309 HydrophobicContact CG1-CD1 4.14Å; I234-L309 HydrophobicContact CG2-CD1 3.35Å; I234-A312 HydrophobicContact CG1-CB 3.87Å
235	K	93.7	Very high	83.1	Confident	103 Å²	103	54.6 Å²	54.6	45%	0.448	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-39.9	-179.5	-64.5	-169.6	-173.7	172.1	0	113	R209 D210 E311	R209-K235 VanDerWaalsContact CA-O 3.29Å; R209-K235 WeakPolarHBondContact CA-O 3.48Å; D210-K235 PolarHBondContact N-O 3.05Å; K235-E311 HydrophobicContact CB-CB 4.26Å; K235-E311 HydrophobicContact CD-CB 3.84Å; K235-E311 WeakPolarHBondContact CD-OE2 3.48Å; K235-E311 WeakPolarHBondContact CE-OE2 3.31Å; K235-E311 HydrophobicContact CG-CB 4.08Å; K235-E311 PolarHBondContact N-O 3.38Å; K235-E311 IonicContact NZ-OE2 3.69Å; K235-E311 PolarHBondContact NZ-OE2 2.9Å
236	H	93.6	Very high	80.4	Confident	22 Å²	22	58.4 Å²	58.4	10%	0.102	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	130.7	177.7	178.7	-137.3	0	0	0	111.5	V207 L208 R209 L309 E310	V207-H236 WeakPolarHBondContact CG1-NE2 3.39Å; L208-H236 WeakPolarHBondContact O-CA 3.36Å; R209-H236 PolarHBondContact NH1-CD2 3.36Å; R209-H236 PolarHBondContact NH1-NE2 2.96Å; H236-L309 WeakPolarHBondContact O-CA 3.46Å; H236-E310 HydrophobicContact CB-CB 4.17Å; H236-E310 HydrophobicContact CB-CG 4.38Å; H236-E310 IonicContact CE1-OE2 3.05Å; H236-E310 IonicContact CG-OE2 3.28Å; H236-E310 PolarHBondContact N-O 2.92Å; H236-E310 IonicContact ND1-OE2 2.73Å; H236-E310 PolarHBondContact ND1-OE2 2.88Å; H236-E310 PolarHBondContact O-N 2.85Å
237	L	93.4	Very high	77.5	Confident	31 Å²	31	65.4 Å²	65.4	16%	0.162	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	113.7	171.4	-177.9	76	0	0	0	108.4	V207 L208 I234 I307 H308 L309	V207-L237 CarbonylContact C-O 3.54Å; L208-L237 HydrophobicContact CB-CB 4.3Å; L208-L237 HydrophobicContact CD1-CD2 3.94Å; L208-L237 HydrophobicContact CG-CD2 4.46Å; L208-L237 PolarHBondContact N-O 2.83Å; L208-L237 PolarHBondContact O-N 2.9Å; I234-L237 HydrophobicContact CG2-CB 4.19Å; L237-I307 HydrophobicContact CD1-CG2 3.59Å; L237-I307 HydrophobicContact CG-CG2 4.44Å; L237-H308 CarbonylContact C-O 3.48Å; L237-H308 WeakPolarHBondContact CA-O 3.4Å; L237-L309 HydrophobicContact CD1-CB 4.2Å; L237-L309 HydrophobicContact CD1-CD1 3.84Å
238	S	91.7	Very high	74.6	Confident	22 Å²	22	74.8 Å²	74.8	15%	0.154	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136	173.7	69	0	0	0	0	111.6	I206 I307 H308	I206-S238 CarbonylContact O-C 3.51Å; I206-S238 WeakPolarHBondContact O-CA 3.23Å; S238-I307 CarbonylContact O-C 3.45Å; S238-I307 VanDerWaalsContact O-CA 3.28Å; S238-I307 WeakPolarHBondContact O-CA 3.48Å; S238-H308 PolarHBondContact N-O 2.77Å; S238-H308 PolarHBondContact O-N 2.88Å
239	I	90.7	Very high	71.5	Confident	44 Å²	44	82.8 Å²	82.8	23%	0.226	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	110.2	177.3	-52.6	179.9	0	0	0	106.7	T205 I206 K305 I306 I307	T205-I239 CarbonylContact C-O 3.57Å; T205-I239 WeakPolarHBondContact CA-O 3.48Å; I206-I239 HydrophobicContact CB-CB 4.38Å; I206-I239 PolarHBondContact N-O 2.91Å; I206-I239 PolarHBondContact O-N 2.91Å; I239-K305 HydrophobicContact CG2-CD 4.07Å; I239-I306 WeakPolarHBondContact CA-O 3.44Å; I239-I307 HydrophobicContact CG1-CG1 4.3Å; I239-I307 HydrophobicContact CG1-CG2 4.39Å; I239-I307 HydrophobicContact CG2-CG1 4.35Å
240	S	87.3	Confident	68.3	Low	39 Å²	39	91.1 Å²	91.1	27%	0.273	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	161	-174.6	64.7	0	0	0	0	111.6	K305 I306	S240-K305 CarbonylContact O-C 3.48Å; S240-K305 VanDerWaalsContact O-CA 3.3Å; S240-K305 WeakPolarHBondContact O-CA 3.47Å; S240-I306 PolarHBondContact N-O 2.79Å; S240-I306 PolarHBondContact O-N 3.19Å; S240-I306 PolarHBondContact OG-O 2.79Å
241	N	78.2	Confident	65	Low	20 Å²	20	94.5 Å²	94.5	11%	0.107	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.4	179.4	-53.3	-65.6	0	0	0	109	A202 Q203 T204 Y243 H304 K305	A202-N241 PolarHBondContact O-ND2 3.01Å; A202-N241 PolarHBondContact O-OD1 3.08Å; Q203-N241 PolarHBondContact O-ND2 3.28Å; T204-N241 PolarHBondContact O-ND2 2.99Å; N241-Y243 VanDerWaalsContact C-N 3.34Å; N241-Y243 HydrophobicContact CB-CE2 4.35Å; N241-Y243 WeakPolarHBondContact O-CD2 3.23Å; N241-Y243 PolarHBondContact O-N 2.74Å; N241-H304 WeakPolarHBondContact CA-O 3.49Å; N241-K305 WeakPolarHBondContact OD1-CD 3.44Å; N241-K305 WeakPolarHBondContact OD1-CE 3.35Å; N241-K305 WeakPolarHBondContact OD1-CG 3.25Å; N241-K305 PolarHBondContact OD1-NZ 2.82Å
242	Q	67.5	Low	61.8	Low	82 Å²	82	98.5 Å²	98.5	38%	0.383	49%	0.493	S	S	.	.			trans	-79.9	81.3	-174.5	-167.2	-177.8	22.2	0	0	111.5	H304 I306	Q242-H304 HydrophobicContact CB-CB 3.77Å; Q242-H304 PolarHBondContact N-O 3.1Å; Q242-I306 HydrophobicContact CB-CD1 3.81Å; Q242-I306 HydrophobicContact CB-CG1 4.18Å; Q242-I306 HydrophobicContact CG-CD1 3.73Å
243	Y	53.2	Low	58.7	Low	143 Å²	143	101.9 Å²	101.9	56%	0.561	52%	0.519	S	S	*	.			trans	-61.5	137.9	163.9	-71.8	-90	0	0	0	110	Q203 N241 T245	Q203-Y243 VanDerWaalsContact CG-OH 3.29Å; Q203-Y243 WeakPolarHBondContact CG-OH 3.31Å; Q203-Y243 PolarHBondContact OE1-OH 3.45Å; N241-Y243 VanDerWaalsContact C-N 3.34Å; N241-Y243 HydrophobicContact CB-CE2 4.35Å; N241-Y243 WeakPolarHBondContact O-CD2 3.23Å; N241-Y243 PolarHBondContact O-N 2.74Å; Y243-T245 VanDerWaalsContact C-N 3.33Å; Y243-T245 PolarHBondContact O-N 3.44Å
244	K	41.1	Very low	55.3	Low	202 Å²	202	104.6 Å²	104.6	88%	0.878	54%	0.54	S	S	*	.			trans	-70.7	92.4	164.1	-74.1	-176.2	176.2	-178.1	0	108.3	E246	K244-E246 PolarHBondContact O-N 2.64Å
245	T	31.7	Very low	52.1	Low	126 Å²	126	110.7 Å²	110.7	77%	0.773	57%	0.573	S	S	*	*			trans	-56.3	124.6	160.6	-49.3	0	0	0	0	107.7	Y243 E247	Y243-T245 VanDerWaalsContact C-N 3.33Å; Y243-T245 PolarHBondContact O-N 3.44Å; T245-E247 PolarHBondContact O-N 2.99Å
246	E	26.4	Very low	48.9	Very low	171 Å²	171	112.6 Å²	112.6	80%	0.799	59%	0.593	S	S	*	*			trans	-62.3	126.6	-178.4	-62	-176.4	137.9	0	0	110.4	K244 K248	K244-E246 PolarHBondContact O-N 2.64Å; E246-K248 VanDerWaalsContact C-N 3.31Å; E246-K248 PolarHBondContact O-N 2.89Å
247	E	26.8	Very low	45.8	Very low	184 Å²	184	116.9 Å²	116.9	86%	0.86	63%	0.625	S	S	*	*			trans	-67.7	89	173.8	-73.3	-169.8	123.7	0	0	110.4	T245 Q249	T245-E247 PolarHBondContact O-N 2.99Å; E247-Q249 PolarHBondContact O-N 2.98Å
248	K	28.4	Very low	42.7	Very low	199 Å²	199	120.6 Å²	120.6	87%	0.865	65%	0.654	S	S	*	*			trans	-67.2	90.2	158	-82.5	-171.9	176.4	174.6	0	109.1	E246 Q250	E246-K248 VanDerWaalsContact C-N 3.31Å; E246-K248 PolarHBondContact O-N 2.89Å; K248-Q250 PolarHBondContact O-N 3.19Å
249	Q	26.2	Very low	40	Very low	168 Å²	168	125.2 Å²	125.2	79%	0.785	69%	0.686	S	S	*	*			trans	-52.5	111	161.2	-64.9	-178.3	-9.2	0	0	109.2	E247	E247-Q249 PolarHBondContact O-N 2.98Å
250	Q	26.8	Very low	37.3	Very low	174 Å²	174	126.4 Å²	126.4	81%	0.813	71%	0.71	S	S	*	*				176.7	139.6	114.8	-95.5	173.6	1.4	0	0	115	K248	K248-Q250 PolarHBondContact O-N 3.19Å
251	S	24.9	Very low	35.1	Very low	108 Å²	108	132.7 Å²	132.7	76%	0.755	73%	0.728	S	S	*	*			trans	83.7	142.4	145.6	74.3	0	0	0	0	121.6
252	S	28	Very low	33.3	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	73%	0.733	S	S	*	*			trans	57.5	113.7	168	50	0	0	0	0	119.6
253	P	31.8	Very low	31.9	Very low	138 Å²	138	135 Å²	135	90%	0.896	75%	0.745	S	S	*	*			trans	-86.5	112.9	160.7	33.4	-28.7	0	0	0	110.8
254	S	25.4	Very low	31.3	Very low	97 Å²	97	134.6 Å²	134.6	68%	0.678	74%	0.743	S	S	*	*			trans	-141.3	101.4	169.9	59.5	0	0	0	0	111.6
255	N	27.3	Very low	31.3	Very low	152 Å²	152	128.2 Å²	128.2	81%	0.813	72%	0.718	S	S	*	*	S	Bend	trans	41.7	150.5	156.3	-63.7	-7.8	0	0	0	122
256	T	27.7	Very low	31.7	Very low	144 Å²	144	127.7 Å²	127.7	88%	0.883	70%	0.701	S	S	*	*			trans	61.9	65.5	159.5	48.2	0	0	0	0	118.6
257	S	27	Very low	32	Very low	111 Å²	111	128.9 Å²	128.9	78%	0.776	70%	0.699	S	S	*	*			trans	-160.1	115	141.9	61.3	0	0	0	0	110.6
258	S	28.8	Very low	32.2	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	70%	0.699	S	S	*	*			trans	-119.9	89.5	-173.6	52.6	0	0	0	0	112.2
259	S	34.6	Very low	32.4	Very low	118 Å²	118	129.3 Å²	129.3	83%	0.825	69%	0.694	S	S	*	*	S	Bend	trans	-151.3	17	-179.3	55.2	0	0	0	0	115.1
260	G	33.6	Very low	32.5	Very low	70 Å²	70	126.9 Å²	126.9	72%	0.722	70%	0.696	S	S	*	*	S	Bend	trans	-165.1	59.6	-176.2	0	0	0	0	0	114
261	R	41.1	Very low	32.5	Very low	171 Å²	171	123 Å²	123	65%	0.645	69%	0.688	S	S	*	*			trans	-118.2	-9.1	-167.4	-95	-171.6	171.2	-159.8	-3.7	118	W264	R261-W264 PolarHBondContact O-NE1 3.45Å
262	W	41.3	Very low	32.8	Very low	60 Å²	60	124.8 Å²	124.8	23%	0.227	69%	0.689	C	S	.	*	S	Bend	trans	-96.3	-23.2	-163.7	-58.5	132.6	0	0	0	116.2	W264 L265 E370 R768	W262-W264 VanDerWaalsContact C-N 3.32Å; W262-W264 PolarHBondContact O-N 3Å; W262-L265 HydrophobicContact CE3-CD1 4.05Å; W262-L265 HydrophobicContact CZ3-CD1 4.11Å; W262-E370 PolarHBondContact NE1-OE1 2.74Å; W262-R768 HydrophobicContact CH2-CG 3.92Å; W262-R768 HydrophobicContact CZ2-CG 4.3Å
263	S	37.9	Very low	32.7	Very low	89 Å²	89	126.7 Å²	126.7	62%	0.622	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-2.7	-174.9	68.6	0	0	0	0	116.5	W267	S263-W267 PolarHBondContact O-NE1 2.57Å; S263-W267 VanDerWaalsContact O-NE1 3.15Å
264	W	40.9	Very low	32.6	Very low	136 Å²	136	127.5 Å²	127.5	52%	0.515	69%	0.688	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.4	-7.9	-175.9	71.9	-86.4	0	0	0	115	R261 W262 W267	R261-W264 PolarHBondContact O-NE1 3.45Å; W262-W264 VanDerWaalsContact C-N 3.32Å; W262-W264 PolarHBondContact O-N 3Å; W264-W267 HydrophobicContact CB-CH2 4.23Å; W264-W267 HydrophobicContact CB-CZ2 3.65Å
265	L	40.3	Very low	33	Very low	68 Å²	68	130.4 Å²	130.4	36%	0.356	70%	0.696	S	S	.	*	S	Bend	trans	-91.8	-18.7	-174.5	-75.5	161.4	0	0	0	114	W262 W267	W262-L265 HydrophobicContact CE3-CD1 4.05Å; W262-L265 HydrophobicContact CZ3-CD1 4.11Å; L265-W267 VanDerWaalsContact C-N 3.35Å; L265-W267 PolarHBondContact O-N 2.81Å
266	W	40.2	Very low	33.3	Very low	114 Å²	114	129.5 Å²	129.5	43%	0.432	70%	0.696	S	S	.	*			trans	-93.5	29.4	-177.7	-59.1	119.6	0	0	0	114	W268	W266-W268 PolarHBondContact O-N 3.34Å
267	W	32	Very low	33.4	Very low	197 Å²	197	128 Å²	128	75%	0.746	69%	0.691	S	S	*	*			trans	-79.2	33	-175	-66.5	-1.4	0	0	0	114.6	S263 W264 L265	S263-W267 PolarHBondContact O-NE1 2.57Å; S263-W267 VanDerWaalsContact O-NE1 3.15Å; W264-W267 HydrophobicContact CB-CH2 4.23Å; W264-W267 HydrophobicContact CB-CZ2 3.65Å; L265-W267 VanDerWaalsContact C-N 3.35Å; L265-W267 PolarHBondContact O-N 2.81Å
268	W	31.6	Very low	33.7	Very low	230 Å²	230	129.3 Å²	129.3	87%	0.871	70%	0.695	S	S	*	*			trans	-114.9	90.8	-179	-66.2	99.7	0	0	0	111.7	W266	W266-W268 PolarHBondContact O-N 3.34Å
269	Q	33.6	Very low	33.8	Very low	161 Å²	161	127.1 Å²	127.1	75%	0.752	69%	0.69	S	S	*	*			trans	74.5	93.7	145.6	-165.3	173.8	-1.5	0	0	119
270	S	26.8	Very low	33.6	Very low	117 Å²	117	129.2 Å²	129.2	82%	0.818	69%	0.692	S	S	*	*			trans	-119.6	54.5	131.5	-179.6	0	0	0	0	110.8	N272	S270-N272 VanDerWaalsContact C-N 3.28Å; S270-N272 PolarHBondContact O-N 3.14Å
271	S	28.7	Very low	33.5	Very low	92 Å²	92	130.8 Å²	130.8	64%	0.643	69%	0.692	S	S	*	*			trans	-72.9	84.4	164.5	-64.9	0	0	0	0	109.4	N273	S271-N273 VanDerWaalsContact C-N 3.28Å; S271-N273 PolarHBondContact O-N 3.45Å
272	N	29.4	Very low	33.1	Very low	147 Å²	147	127.8 Å²	127.8	79%	0.786	70%	0.697	S	S	*	*			trans	-71.7	85.2	173.5	-169.8	8	0	0	0	109.5	S270	S270-N272 VanDerWaalsContact C-N 3.28Å; S270-N272 PolarHBondContact O-N 3.14Å
273	N	27.6	Very low	32.7	Very low	139 Å²	139	131.1 Å²	131.1	74%	0.743	72%	0.724	S	S	*	*			trans	-134.7	50.7	-170.6	-157.1	19.9	0	0	0	111.8	S271 N275	S271-N273 VanDerWaalsContact C-N 3.28Å; S271-N273 PolarHBondContact O-N 3.45Å; N273-N275 PolarHBondContact O-N 3.01Å
274	N	29.7	Very low	32.4	Very low	155 Å²	155	131.5 Å²	131.5	83%	0.829	73%	0.726	S	S	*	*			trans	-81.4	91.1	170.9	-83.4	-18.6	0	0	0	110.4
275	N	32.6	Very low	31.6	Very low	157 Å²	157	130.9 Å²	130.9	84%	0.84	74%	0.742	S	S	*	*			trans	-138.9	121.8	156.5	-117.1	-31.4	0	0	0	109.4	N273	N273-N275 PolarHBondContact O-N 3.01Å
276	V	33.4	Very low	31.1	Very low	133 Å²	133	132.7 Å²	132.7	81%	0.806	77%	0.768	S	S	*	*			trans	-75.6	129.2	-167.8	173.7	0	0	0	0	111.1	T278	V276-T278 PolarHBondContact O-N 3.42Å
277	S	29.3	Very low	30.4	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	79%	0.788	S	S	*	*			trans	-79.2	112.3	177.6	58.4	0	0	0	0	112.5
278	T	35	Very low	30.3	Very low	138 Å²	138	128.9 Å²	128.9	85%	0.847	79%	0.788	S	S	*	*			trans	-111.8	109.3	154.6	50.3	0	0	0	0	108.4	V276	V276-T278 PolarHBondContact O-N 3.42Å
279	G	29.5	Very low	30	Very low	65 Å²	65	124.5 Å²	124.5	67%	0.67	79%	0.787	S	S	*	*			trans	-97.8	160.3	-173.9	0	0	0	0	0	114
280	N	32	Very low	29.9	Very low	162 Å²	162	123.5 Å²	123.5	87%	0.866	79%	0.787	S	S	*	*				-166.7	160.1	123.1	-104.1	-35.8	0	0	0	114.1
281	S	31.7	Very low	29.8	Very low	103 Å²	103	123.6 Å²	123.6	72%	0.72	79%	0.788	S	S	*	*			trans	60.5	107.6	157.9	51.7	0	0	0	0	121
282	S	31.3	Very low	29.8	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	79%	0.794	S	S	*	*				106.2	111.4	110.8	68.3	0	0	0	0	122.3
283	V	32.9	Very low	29.7	Very low	131 Å²	131	123.2 Å²	123.2	79%	0.794	79%	0.791	S	S	*	*				89	111.4	121.4	173.1	0	0	0	0	121.2
284	S	31.4	Very low	29.6	Very low	96 Å²	96	122.6 Å²	122.6	67%	0.671	79%	0.793	S	S	*	*			trans	57.9	109.3	146.8	71.4	0	0	0	0	122.8
285	S	25.1	Very low	29.3	Very low	123 Å²	123	120.3 Å²	120.3	86%	0.86	79%	0.786	S	S	*	*				39.8	113	109.6	-45.5	0	0	0	0	120.9
286	A	30	Very low	29	Very low	107 Å²	107	118.2 Å²	118.2	88%	0.884	79%	0.791	S	S	*	*				-158.2	150.7	126.8	0	0	0	0	0	110.6
287	S	24.8	Very low	28.7	Very low	122 Å²	122	115.1 Å²	115.1	85%	0.853	79%	0.786	S	S	*	*			trans	-85	134.4	178.4	53.7	0	0	0	0	112.6
288	S	29.7	Very low	28.5	Very low	109 Å²	109	115 Å²	115	76%	0.762	78%	0.784	S	S	*	*			trans	-138.7	139.2	152.4	61.7	0	0	0	0	110.6	N290	S288-N290 PolarHBondContact O-N 2.97Å
289	T	25.7	Very low	28.4	Very low	137 Å²	137	115.7 Å²	115.7	84%	0.84	78%	0.783	S	S	*	*			trans	-81	110.7	-179.5	46.6	0	0	0	0	110.3
290	N	31.4	Very low	28.8	Very low	141 Å²	141	117.4 Å²	117.4	75%	0.754	78%	0.784	S	S	*	*			trans	-129.6	94.3	160.1	-91.1	-32.6	0	0	0	108.7	S288 T292	S288-N290 PolarHBondContact O-N 2.97Å; N290-T292 PolarHBondContact O-N 3.42Å
291	S	24.7	Very low	29.9	Very low	119 Å²	119	113.1 Å²	113.1	83%	0.832	76%	0.764	S	S	*	*			trans	-71.9	80.2	166.1	51.7	0	0	0	0	108.7	S293	S291-S293 PolarHBondContact O-N 2.67Å
292	T	28.2	Very low	31.3	Very low	127 Å²	127	110.6 Å²	110.6	78%	0.779	74%	0.741	S	S	*	*			trans	-65	98.4	175.3	-47.5	0	0	0	0	108.7	N290 T294	N290-T292 PolarHBondContact O-N 3.42Å; T292-T294 PolarHBondContact O-N 3.48Å
293	S	27.2	Very low	33.3	Very low	103 Å²	103	109.1 Å²	109.1	72%	0.72	73%	0.725	S	S	*	*			trans	-60.4	110	175	48.2	0	0	0	0	109.5	S291	S291-S293 PolarHBondContact O-N 2.67Å
294	T	25.5	Very low	35.5	Very low	127 Å²	127	104.9 Å²	104.9	78%	0.779	70%	0.696	S	S	*	*			trans	-55.9	123.9	161.1	46.3	0	0	0	0	107.9	T292 A296	T292-T294 PolarHBondContact O-N 3.48Å; T294-A296 PolarHBondContact O-N 3.3Å; T294-A296 VanDerWaalsContact O-N 3.09Å
295	P	24.4	Very low	38.1	Very low	107 Å²	107	102.3 Å²	102.3	70%	0.695	67%	0.673	S	S	*	*			trans	-64	116.1	-177.8	24.6	-32.9	0	0	0	110	G297 S298	P295-G297 PolarHBondContact O-N 2.9Å; P295-S298 PolarHBondContact O-N 2.86Å
296	A	25.4	Very low	41.1	Very low	113 Å²	113	98.6 Å²	98.6	93%	0.934	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	100	170.7	0	0	0	0	0	108.1	T294	T294-A296 PolarHBondContact O-N 3.3Å; T294-A296 VanDerWaalsContact O-N 3.09Å
297	G	26.9	Very low	44.1	Very low	68 Å²	68	96 Å²	96	70%	0.701	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.3	-20.2	-169.7	0	0	0	0	0	114.3	P295 L299	P295-G297 PolarHBondContact O-N 2.9Å; G297-L299 VanDerWaalsContact C-N 3.31Å; G297-L299 PolarHBondContact O-N 3.01Å
298	S	26.1	Very low	47.3	Very low	109 Å²	109	92.2 Å²	92.2	76%	0.762	58%	0.582	S	S	*	*			trans	-73.4	87	168.5	-168.8	0	0	0	0	110.5	P295 S300	P295-S298 PolarHBondContact O-N 2.86Å; S298-S300 PolarHBondContact O-N 2.88Å
299	L	33.4	Very low	50.3	Low	154 Å²	154	88.4 Å²	88.4	81%	0.806	55%	0.553	S	S	*	*			trans	-58.4	122.2	164.1	-69.1	173	0	0	0	108.2	G297 T301	G297-L299 VanDerWaalsContact C-N 3.31Å; G297-L299 PolarHBondContact O-N 3.01Å; L299-T301 PolarHBondContact O-N 2.94Å
300	S	37.5	Very low	53.5	Low	101 Å²	101	84.8 Å²	84.8	71%	0.706	53%	0.527	S	S	*	.			trans	-66.9	120.4	176.2	-163.6	0	0	0	0	108.5	S298 M302	S298-S300 PolarHBondContact O-N 2.88Å; S300-M302 PolarHBondContact O-N 2.77Å
301	T	54.4	Low	56.3	Low	72 Å²	72	81.5 Å²	81.5	44%	0.442	51%	0.507	S	S	.	.	S	Bend	trans	-74.4	29.7	-174.3	66.3	0	0	0	0	113.8	L299 R378 V379	L299-T301 PolarHBondContact O-N 2.94Å; T301-R378 WeakPolarHBondContact O-CA 3.27Å; T301-V379 PolarHBondContact O-N 3.44Å; T301-V379 PolarHBondContact OG1-O 3Å
302	M	61.2	Low	59.6	Low	50 Å²	50	76 Å²	76	25%	0.246	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	101.1	-178.1	-162.9	154.5	82.4	0	0	109.8	S300 L377 R378	S300-M302 PolarHBondContact O-N 2.77Å; M302-L377 CarbonylContact C-O 3.55Å; M302-L377 VanDerWaalsContact CA-O 3.28Å; M302-L377 WeakPolarHBondContact CA-O 3.44Å; M302-R378 HydrophobicContact CB-CB 4.33Å; M302-R378 HydrophobicContact CG-CB 4.08Å; M302-R378 HydrophobicContact SD-CB 4.14Å
303	L	73.1	Confident	62.8	Low	76 Å²	76	70.9 Å²	70.9	40%	0.398	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	125	177.7	-177.1	143.3	0	0	0	109.3	A202 K305 S376 L377	A202-L303 HydrophobicContact CB-CD1 4.11Å; L303-K305 HydrophobicContact CD2-CG 3.78Å; L303-S376 WeakPolarHBondContact O-CA 3.39Å; L303-L377 PolarHBondContact N-O 3.3Å; L303-L377 PolarHBondContact O-N 2.95Å
304	H	80.2	Confident	66.1	Low	42 Å²	42	68 Å²	68	19%	0.194	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.1	-177.2	-75.4	-67.7	0	0	0	111.2	N241 Q242 R374 L375 S376	N241-H304 WeakPolarHBondContact CA-O 3.49Å; Q242-H304 HydrophobicContact CB-CB 3.77Å; Q242-H304 PolarHBondContact N-O 3.1Å; H304-R374 PolarHBondContact CE1-NH2 3.21Å; H304-L375 WeakPolarHBondContact CA-O 3.32Å; H304-S376 PolarHBondContact CE1-OG 3.02Å; H304-S376 VanDerWaalsContact CE1-OG 3.23Å; H304-S376 WeakPolarHBondContact ND1-CB 3.47Å; H304-S376 PolarHBondContact ND1-OG 2.7Å
305	K	85.1	Confident	69.4	Low	41 Å²	41	63.4 Å²	63.4	18%	0.178	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.9	166.8	-60.1	-142	174.1	-157.6	0	110.1	I201 I239 S240 N241 L303 R374 L375	I201-K305 PolarHBondContact O-NZ 3.15Å; I239-K305 HydrophobicContact CG2-CD 4.07Å; S240-K305 CarbonylContact O-C 3.48Å; S240-K305 VanDerWaalsContact O-CA 3.3Å; S240-K305 WeakPolarHBondContact O-CA 3.47Å; N241-K305 WeakPolarHBondContact OD1-CD 3.44Å; N241-K305 WeakPolarHBondContact OD1-CE 3.35Å; N241-K305 WeakPolarHBondContact OD1-CG 3.25Å; N241-K305 PolarHBondContact OD1-NZ 2.82Å; L303-K305 HydrophobicContact CD2-CG 3.78Å; K305-R374 CarbonylContact O-C 3.56Å; K305-R374 WeakPolarHBondContact O-CA 3.18Å; K305-L375 HydrophobicContact CB-CB 4.48Å; K305-L375 PolarHBondContact N-O 3.44Å; K305-L375 PolarHBondContact O-N 3.01Å
306	I	89	Confident	72.8	Confident	46 Å²	46	58.3 Å²	58.3	24%	0.236	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118	170.1	-64.3	171.3	0	0	0	106.9	I239 S240 Q242 R374	I239-I306 WeakPolarHBondContact CA-O 3.44Å; S240-I306 PolarHBondContact N-O 2.79Å; S240-I306 PolarHBondContact O-N 3.19Å; S240-I306 PolarHBondContact OG-O 2.79Å; Q242-I306 HydrophobicContact CB-CD1 3.81Å; Q242-I306 HydrophobicContact CB-CG1 4.18Å; Q242-I306 HydrophobicContact CG-CD1 3.73Å; I306-R374 HydrophobicContact CG1-CG 4.26Å
307	I	91.4	Very high	76	Confident	53 Å²	53	53.8 Å²	53.8	27%	0.272	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.8	167.3	-53	170.2	0	0	0	106.6	L237 S238 I239 T372 A373	L237-I307 HydrophobicContact CD1-CG2 3.59Å; L237-I307 HydrophobicContact CG-CG2 4.44Å; S238-I307 CarbonylContact O-C 3.45Å; S238-I307 VanDerWaalsContact O-CA 3.28Å; S238-I307 WeakPolarHBondContact O-CA 3.48Å; I239-I307 HydrophobicContact CG1-CG1 4.3Å; I239-I307 HydrophobicContact CG1-CG2 4.39Å; I239-I307 HydrophobicContact CG2-CG1 4.35Å; I307-T372 CarbonylContact O-C 3.56Å; I307-T372 WeakPolarHBondContact O-CA 3.39Å; I307-A373 HydrophobicContact CB-CB 4.2Å; I307-A373 WeakPolarHBondContact CB-O 3.4Å; I307-A373 PolarHBondContact N-O 2.61Å; I307-A373 PolarHBondContact O-N 3.25Å
308	H	93	Very high	79.1	Confident	41 Å²	41	50.8 Å²	50.8	19%	0.19	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.1	177.5	170.9	-116.2	0	0	0	108.9	L237 S238 E310 S369 H371	L237-H308 CarbonylContact C-O 3.48Å; L237-H308 WeakPolarHBondContact CA-O 3.4Å; S238-H308 PolarHBondContact N-O 2.77Å; S238-H308 PolarHBondContact O-N 2.88Å; H308-E310 WeakPolarHBondContact CE1-CG 3.39Å; H308-E310 IonicContact CE1-OE1 3.61Å; H308-E310 PolarHBondContact CE1-OE1 2.83Å; H308-S369 PolarHBondContact NE2-O 3.2Å; H308-H371 PolarHBondContact CD2-O 3.2Å
309	L	92.6	Very high	82.2	Confident	29 Å²	29	45.7 Å²	45.7	15%	0.152	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.3	-169.7	174.6	80.5	0	0	0	108.9	I234 H236 L237 A312 H371	I234-L309 HydrophobicContact CB-CD1 4.36Å; I234-L309 HydrophobicContact CD1-CD1 4.03Å; I234-L309 HydrophobicContact CG1-CD1 4.14Å; I234-L309 HydrophobicContact CG2-CD1 3.35Å; H236-L309 WeakPolarHBondContact O-CA 3.46Å; L237-L309 HydrophobicContact CD1-CB 4.2Å; L237-L309 HydrophobicContact CD1-CD1 3.84Å; L309-A312 HydrophobicContact CD1-CB 4.32Å; L309-A312 HydrophobicContact CD2-CB 4.21Å; L309-H371 HydrophobicContact CB-CB 3.94Å; L309-H371 HydrophobicContact CD2-CB 4.04Å; L309-H371 HydrophobicContact CG-CB 4.32Å; L309-H371 PolarHBondContact N-O 2.92Å; L309-H371 WeakPolarHBondContact O-CB 3.48Å
310	E	92.1	Very high	84.8	Confident	62 Å²	62	39.4 Å²	39.4	29%	0.29	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.2	173.4	-46	-176.4	122.2	0	0	109.6	H236 H308 S369	H236-E310 HydrophobicContact CB-CB 4.17Å; H236-E310 HydrophobicContact CB-CG 4.38Å; H236-E310 IonicContact CE1-OE2 3.05Å; H236-E310 IonicContact CG-OE2 3.28Å; H236-E310 PolarHBondContact N-O 2.92Å; H236-E310 IonicContact ND1-OE2 2.73Å; H236-E310 PolarHBondContact ND1-OE2 2.88Å; H236-E310 PolarHBondContact O-N 2.85Å; H308-E310 WeakPolarHBondContact CE1-CG 3.39Å; H308-E310 IonicContact CE1-OE1 3.61Å; H308-E310 PolarHBondContact CE1-OE1 2.83Å; E310-S369 WeakPolarHBondContact OE1-CB 3.36Å
311	E	90.4	Very high	87	Confident	71 Å²	71	36.1 Å²	36.1	33%	0.332	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48	89.4	175.1	-67.1	-177.3	-145.7	0	0	114.7	K235 L366 G368	K235-E311 HydrophobicContact CB-CB 4.26Å; K235-E311 HydrophobicContact CD-CB 3.84Å; K235-E311 WeakPolarHBondContact CD-OE2 3.48Å; K235-E311 WeakPolarHBondContact CE-OE2 3.31Å; K235-E311 HydrophobicContact CG-CB 4.08Å; K235-E311 PolarHBondContact N-O 3.38Å; K235-E311 IonicContact NZ-OE2 3.69Å; K235-E311 PolarHBondContact NZ-OE2 2.9Å; E311-L366 WeakPolarHBondContact CA-O 3.37Å; E311-G368 PolarHBondContact N-O 2.79Å
312	A	94.2	Very high	87.6	Confident	3 Å²	3	36 Å²	36	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.9	170.4	0	0	0	0	0	111.4	T233 I234 L309 L366	T233-A312 CarbonylContact O-C 3.57Å; T233-A312 VanDerWaalsContact O-CA 3.32Å; T233-A312 WeakPolarHBondContact O-CA 3.29Å; I234-A312 HydrophobicContact CG1-CB 3.87Å; L309-A312 HydrophobicContact CD1-CB 4.32Å; L309-A312 HydrophobicContact CD2-CB 4.21Å; A312-L366 HydrophobicContact CB-CB 4.12Å; A312-L366 HydrophobicContact CB-CD1 4.05Å; A312-L366 PolarHBondContact N-O 2.98Å; A312-L366 PolarHBondContact O-N 3.49Å
313	D	95.7	Very high	87.2	Confident	20 Å²	20	36.8 Å²	36.8	11%	0.107	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.1	-179.3	-73.4	-27.5	0	0	0	110.5	T233 F315 K362 L364 T365	T233-D313 PolarHBondContact N-O 3.02Å; T233-D313 PolarHBondContact O-N 2.87Å; T233-D313 PolarHBondContact OG1-O 3.35Å; D313-F315 HydrophobicContact CB-CD2 4.39Å; D313-F315 HydrophobicContact CB-CE2 3.69Å; D313-F315 HydrophobicContact CB-CZ 4.27Å; D313-K362 WeakPolarHBondContact OD1-CE 3.23Å; D313-K362 IonicContact OD1-NZ 3.82Å; D313-K362 PolarHBondContact OD1-NZ 3.15Å; D313-K362 WeakPolarHBondContact OD2-CE 3.48Å; D313-K362 IonicContact OD2-NZ 3.62Å; D313-K362 PolarHBondContact OD2-NZ 3.44Å; D313-L364 WeakPolarHBondContact CA-O 3.35Å; D313-T365 WeakPolarHBondContact OD1-CA 3.48Å; D313-T365 WeakPolarHBondContact OD1-CB 3.28Å; D313-T365 PolarHBondContact OD1-OG1 3.3Å
314	L	96.3	Very high	86	Confident	44 Å²	44	41.8 Å²	41.8	23%	0.23	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.1	173.7	-174.8	68.8	0	0	0	109.7	L230 L232 L363 L364	L230-L314 HydrophobicContact CB-CD1 4.38Å; L230-L314 HydrophobicContact CD2-CD1 4.33Å; L230-L314 HydrophobicContact CD2-CD2 4.38Å; L230-L314 HydrophobicContact CD2-CG 4.34Å; L232-L314 HydrophobicContact CB-CD1 4.35Å; L314-L363 HydrophobicContact CD2-CD1 4.31Å; L314-L363 PolarHBondContact O-N 3.35Å; L314-L364 HydrophobicContact CB-CB 4.12Å; L314-L364 PolarHBondContact N-O 3.41Å; L314-L364 PolarHBondContact O-N 2.91Å
315	F	95.6	Very high	83.7	Confident	30 Å²	30	45.6 Å²	45.6	13%	0.132	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	150.9	173.9	-61.2	-95.6	0	0	0	110.6	L230 T231 T233 D313 A361 K362	L230-F315 CarbonylContact C-O 3.52Å; L230-F315 WeakPolarHBondContact CA-O 3.47Å; T231-F315 PolarHBondContact N-O 3.28Å; T231-F315 PolarHBondContact O-N 3.16Å; T233-F315 HydrophobicContact CG2-CD2 4.42Å; T233-F315 HydrophobicContact CG2-CE2 4.34Å; D313-F315 HydrophobicContact CB-CD2 4.39Å; D313-F315 HydrophobicContact CB-CE2 3.69Å; D313-F315 HydrophobicContact CB-CZ 4.27Å; F315-A361 CarbonylContact C-O 3.53Å; F315-A361 WeakPolarHBondContact CA-O 3.42Å; F315-K362 HydrophobicContact CD1-CB 3.81Å; F315-K362 HydrophobicContact CD1-CG 4.33Å; F315-K362 HydrophobicContact CE1-CB 3.73Å; F315-K362 HydrophobicContact CE1-CD 4.11Å; F315-K362 HydrophobicContact CE1-CG 4.07Å; F315-K362 HydrophobicContact CZ-CD 4.16Å; F315-K362 HydrophobicContact CZ-CG 4.4Å
316	W	95	Very high	80.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.7	173.3	167.7	76.9	0	0	0	110.1	S228 G229 L230 L318 S359 S360 A361 L363 Q439 W442 L443 L717	S228-W316 PolarHBondContact OG-NE1 3.27Å; G229-W316 WeakPolarHBondContact O-CA 3.47Å; L230-W316 HydrophobicContact CD2-CB 3.99Å; W316-L318 HydrophobicContact CH2-CB 3.89Å; W316-L318 HydrophobicContact CH2-CD2 4.35Å; W316-L318 HydrophobicContact CZ2-CB 3.7Å; W316-L318 HydrophobicContact CZ2-CD1 4.24Å; W316-L318 HydrophobicContact CZ2-CD2 4.36Å; W316-L318 HydrophobicContact CZ2-CG 4.32Å; W316-S359 VanDerWaalsContact CH2-OG 3.31Å; W316-S359 WeakPolarHBondContact CH2-OG 3.14Å; W316-S359 WeakPolarHBondContact CZ3-OG 3.42Å; W316-S360 WeakPolarHBondContact O-CA 3.29Å; W316-A361 HydrophobicContact CE3-CB 4.5Å; W316-A361 PolarHBondContact N-O 3.46Å; W316-A361 PolarHBondContact O-N 2.75Å; W316-L363 HydrophobicContact CB-CD1 3.61Å; W316-L363 HydrophobicContact CB-CD2 4.28Å; W316-L363 HydrophobicContact CB-CG 3.76Å; W316-L363 HydrophobicContact CG-CD1 4.43Å; W316-Q439 HydrophobicContact CE3-CG 4.14Å; W316-Q439 HydrophobicContact CH2-CG 4.13Å; W316-Q439 HydrophobicContact CZ3-CG 3.75Å; W316-W442 HydrophobicContact CH2-CB 4.49Å; W316-W442 HydrophobicContact CZ2-CB 3.58Å; W316-W442 AromaticContact CZ2-CD1 3.93Å; W316-W442 AromaticContact CZ2-CG 3.96Å; W316-W442 HydrophobicContact CZ2-CG 3.96Å; W316-L443 HydrophobicContact CB-CD2 4.49Å; W316-L443 VanDerWaalsContact CD1-CD2 3.45Å; W316-L443 HydrophobicContact CG-CD2 3.98Å; W316-L717 HydrophobicContact CZ3-CD1 3.94Å
317	D	93.6	Very high	78	Confident	18 Å²	18	53 Å²	53	10%	0.096	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.3	176.1	-61.9	-44	0	0	0	110.4	R214 S228 G229 W319 L357 S359 S360	R214-D317 IonicContact CZ-OD2 2.82Å; R214-D317 IonicContact NH1-OD2 3.61Å; R214-D317 PolarHBondContact NH1-OD2 2.91Å; R214-D317 IonicContact NH2-OD2 3.65Å; S228-D317 WeakPolarHBondContact CA-O 3.37Å; G229-D317 PolarHBondContact N-O 2.89Å; G229-D317 PolarHBondContact O-N 2.88Å; D317-W319 HydrophobicContact CB-CE3 4.27Å; D317-W319 HydrophobicContact CB-CZ3 4.25Å; D317-L357 HydrophobicContact CB-CD1 3.87Å; D317-S359 WeakPolarHBondContact CA-O 3.47Å; D317-S360 WeakPolarHBondContact OD1-CB 3.38Å; D317-S360 PolarHBondContact OD1-OG 3.33Å
318	L	92.2	Very high	75	Confident	4 Å²	4	57 Å²	57	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.9	170.6	-171.9	75.1	0	0	0	108.8	L219 R226 W316 V358 S359 W442	L219-L318 HydrophobicContact CD1-CD1 4.27Å; R226-L318 HydrophobicContact CB-CD1 4.43Å; W316-L318 HydrophobicContact CH2-CB 3.89Å; W316-L318 HydrophobicContact CH2-CD2 4.35Å; W316-L318 HydrophobicContact CZ2-CB 3.7Å; W316-L318 HydrophobicContact CZ2-CD1 4.24Å; W316-L318 HydrophobicContact CZ2-CD2 4.36Å; W316-L318 HydrophobicContact CZ2-CG 4.32Å; L318-V358 HydrophobicContact CB-CB 4.49Å; L318-V358 HydrophobicContact CD2-CB 4.33Å; L318-V358 HydrophobicContact CD2-CG1 4.19Å; L318-V358 HydrophobicContact CG-CB 4.43Å; L318-V358 WeakPolarHBondContact O-CB 3.31Å; L318-V358 PolarHBondContact O-N 2.89Å; L318-S359 PolarHBondContact N-O 2.92Å; L318-S359 PolarHBondContact O-N 3.46Å; L318-W442 HydrophobicContact CD1-CD2 3.95Å; L318-W442 HydrophobicContact CD1-CE3 4.09Å; L318-W442 HydrophobicContact CD1-CG 4.16Å; L318-W442 HydrophobicContact CD2-CD2 4.09Å; L318-W442 HydrophobicContact CD2-CG 4.23Å; L318-W442 HydrophobicContact CD2-CZ2 4.27Å
319	W	91.2	Very high	71.8	Confident	3 Å²	3	60.8 Å²	60.8	1%	0.011	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	161.2	174.5	63.4	106.4	0	0	0	111.6	R214 E216 R226 A227 G229 D317 C350 P352 T356	R214-W319 VanDerWaalsContact NH2-CH2 3.28Å; E216-W319 HydrophobicContact CB-CH2 3.9Å; E216-W319 HydrophobicContact CB-CZ2 4.1Å; E216-W319 HydrophobicContact CG-CH2 3.8Å; E216-W319 HydrophobicContact CG-CZ2 4.14Å; E216-W319 VanDerWaalsContact OE1-CH2 3.25Å; E216-W319 WeakPolarHBondContact OE1-CH2 3.49Å; E216-W319 VanDerWaalsContact OE1-CZ2 3.29Å; E216-W319 WeakPolarHBondContact OE1-CZ2 3.41Å; R226-W319 WeakPolarHBondContact CA-O 3.48Å; A227-W319 HydrophobicContact CB-CD2 4.12Å; A227-W319 HydrophobicContact CB-CH2 4.25Å; A227-W319 HydrophobicContact CB-CZ2 3.65Å; A227-W319 PolarHBondContact N-O 2.86Å; A227-W319 PolarHBondContact O-N 2.86Å; G229-W319 VanDerWaalsContact N-CZ3 3.32Å; D317-W319 HydrophobicContact CB-CE3 4.27Å; D317-W319 HydrophobicContact CB-CZ3 4.25Å; W319-C350 PolarHBondContact NE1-O 3.3Å; W319-P352 HydrophobicContact CB-CB 4.37Å; W319-P352 HydrophobicContact CD2-CB 4.12Å; W319-P352 HydrophobicContact CE3-CB 4.27Å; W319-P352 HydrophobicContact CG-CB 4.18Å; W319-T356 WeakPolarHBondContact CA-O 3.26Å; W319-T356 WeakPolarHBondContact CB-O 3.31Å
320	S	87.3	Confident	68.7	Low	21 Å²	21	64.2 Å²	64.2	15%	0.147	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143.3	170.9	-170.3	0	0	0	0	111.9	D225 S322 T356	D225-S320 VanDerWaalsContact O-CA 3.26Å; D225-S320 WeakPolarHBondContact O-CA 3.42Å; D225-S320 WeakPolarHBondContact O-CB 3.4Å; D225-S320 PolarHBondContact O-OG 3.41Å; S320-S322 WeakPolarHBondContact OG-CB 3.4Å; S320-S322 PolarHBondContact OG-N 3.22Å; S320-S322 PolarHBondContact OG-OG 2.94Å; S320-T356 PolarHBondContact N-O 3.41Å; S320-T356 VanDerWaalsContact N-O 3.08Å
321	T	83.2	Confident	65.6	Low	32 Å²	32	69.2 Å²	69.2	20%	0.196	42%	0.424	C	S	.	.			trans	-95.6	-4.9	171.9	48.1	0	0	0	0	113.4	D225 A227 G323 T349	D225-T321 VanDerWaalsContact C-OG1 3.31Å; D225-T321 WeakPolarHBondContact CB-OG1 3.41Å; D225-T321 PolarHBondContact O-N 3.45Å; A227-T321 HydrophobicContact CB-CG2 3.86Å; T321-G323 PolarHBondContact O-N 3.35Å; T321-T349 HydrophobicContact CG2-CG2 4.48Å
322	S	66.3	Low	62.5	Low	69 Å²	69	72.4 Å²	72.4	48%	0.483	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-63.9	-3.8	-173.3	58.9	0	0	0	0	116.7	S320 H324	S320-S322 WeakPolarHBondContact OG-CB 3.4Å; S320-S322 PolarHBondContact OG-N 3.22Å; S320-S322 PolarHBondContact OG-OG 2.94Å; S322-H324 PolarHBondContact O-N 3.17Å
323	G	54.2	Low	59.3	Low	68 Å²	68	78 Å²	78	70%	0.701	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-67.8	-3.2	-175.5	0	0	0	0	0	116.4	T321 V325	T321-G323 PolarHBondContact O-N 3.35Å; G323-V325 VanDerWaalsContact C-N 3.35Å; G323-V325 PolarHBondContact O-N 3.31Å
324	H	46.7	Very low	56.2	Low	181 Å²	181	82 Å²	82	84%	0.838	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-86.3	14.2	-171.2	-152.1	-48	0	0	0	115	S322	S322-H324 PolarHBondContact O-N 3.17Å
325	V	32.2	Very low	53	Low	122 Å²	122	88 Å²	88	74%	0.739	55%	0.552	S	S	*	*	S	Bend	trans	-133.6	57	-179.7	-158.4	0	0	0	0	114.7	G323	G323-V325 VanDerWaalsContact C-N 3.35Å; G323-V325 PolarHBondContact O-N 3.31Å
326	Q	27.3	Very low	50	Low	178 Å²	178	92 Å²	92	83%	0.832	58%	0.575	S	S	*	*	S	Bend	trans	-170.2	134.9	135.9	-137.8	68	-54.1	0	0	113.8
327	G	26.8	Very low	47.3	Very low	63 Å²	63	98 Å²	98	65%	0.649	61%	0.614	S	S	*	*			trans	84.2	30.9	136.6	0	0	0	0	0	122
328	C	28.8	Very low	44.4	Very low	137 Å²	137	103.5 Å²	103.5	93%	0.926	64%	0.643	S	S	*	*			trans	-110.6	38.8	171	-114.5	0	0	0	0	114.9
329	S	26.6	Very low	41.6	Very low	122 Å²	122	112 Å²	112	85%	0.853	68%	0.683	S	S	*	*			trans	-94	17.6	179.8	52.6	0	0	0	0	114.8
330	S	26.4	Very low	38.8	Very low	101 Å²	101	116.9 Å²	116.9	71%	0.706	72%	0.715	S	S	*	*	S	Bend	trans	-144.8	48	-168.4	59.5	0	0	0	0	116.1
331	L	26.8	Very low	36	Very low	166 Å²	166	122 Å²	122	87%	0.869	75%	0.748	S	S	*	*	S	Bend	trans	-145.6	18.1	167.1	-113.6	170.7	0	0	0	116.5
332	C	26.6	Very low	33.3	Very low	138 Å²	138	126.2 Å²	126.2	93%	0.932	78%	0.777	S	S	*	*			trans	-122.3	87.3	172.2	-78.3	0	0	0	0	111.1
333	S	26.1	Very low	31.7	Very low	120 Å²	120	127.6 Å²	127.6	84%	0.839	79%	0.787	S	S	*	*			trans	-132	31	-178.2	66.8	0	0	0	0	115.1
334	S	30.6	Very low	30.6	Very low	104 Å²	104	130 Å²	130	73%	0.727	79%	0.79	S	S	*	*			trans	-169.1	114.5	156.8	57	0	0	0	0	112.6
335	L	30.1	Very low	30.3	Very low	171 Å²	171	126.2 Å²	126.2	90%	0.895	78%	0.776	S	S	*	*				171.3	144.2	126	-91.2	157.2	0	0	0	112.6
336	D	31.9	Very low	30.4	Very low	114 Å²	114	125.4 Å²	125.4	61%	0.61	77%	0.773	S	S	*	*			trans	35.3	114.9	165.7	-130.5	-45.1	0	0	0	122	N338	D336-N338 VanDerWaalsContact C-N 3.28Å; D336-N338 PolarHBondContact O-N 3.5Å; D336-N338 PolarHBondContact OD1-ND2 3.11Å
337	P	38.1	Very low	31.3	Very low	127 Å²	127	121.6 Å²	121.6	83%	0.825	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	27.5	177.7	38	-38.5	0	0	0	114.8
338	N	33.7	Very low	32.3	Very low	133 Å²	133	124.4 Å²	124.4	71%	0.711	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	8.7	-169.1	-71.8	-68	0	0	0	116.3	D336	D336-N338 VanDerWaalsContact C-N 3.28Å; D336-N338 PolarHBondContact O-N 3.5Å; D336-N338 PolarHBondContact OD1-ND2 3.11Å
339	Q	33.1	Very low	33.4	Very low	181 Å²	181	119.4 Å²	119.4	85%	0.846	72%	0.718	S	S	*	*	S	Bend	trans	-97.1	141.4	169.6	-78	-173.7	-34.5	0	0	111.7
340	P	32.1	Very low	34.9	Very low	106 Å²	106	118.1 Å²	118.1	69%	0.688	71%	0.708	S	S	*	*			trans	-67.3	147.8	170.4	30.9	-34.5	0	0	0	109.9	C342	P340-C342 PolarHBondContact O-N 3.38Å; P340-C342 VanDerWaalsContact O-N 3.13Å
341	P	28.8	Very low	36.8	Very low	128 Å²	128	114.5 Å²	114.5	83%	0.831	69%	0.686	S	S	*	*			trans	-67.8	114.5	179.3	27.9	-33.7	0	0	0	110.3	S343	P341-S343 PolarHBondContact O-N 3Å
342	C	27	Very low	39.5	Very low	122 Å²	122	108.7 Å²	108.7	82%	0.824	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-58.9	124.8	163.9	-67.8	0	0	0	0	108.6	P340	P340-C342 PolarHBondContact O-N 3.38Å; P340-C342 VanDerWaalsContact O-N 3.13Å
343	S	31	Very low	42	Very low	97 Å²	97	105.1 Å²	105.1	68%	0.678	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-62	123.5	173.5	47.5	0	0	0	0	109.5	P341 L345	P341-S343 PolarHBondContact O-N 3Å; S343-L345 PolarHBondContact O-N 2.9Å
344	P	31.8	Very low	44.5	Very low	120 Å²	120	102.1 Å²	102.1	78%	0.779	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-65.6	122.8	171.6	27.6	-32.4	0	0	0	108.5
345	L	39.8	Very low	46.7	Very low	101 Å²	101	104.8 Å²	104.8	53%	0.529	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-61.4	127.9	164.9	-97	70.7	0	0	0	107.8	S343	S343-L345 PolarHBondContact O-N 2.9Å
346	P	36.1	Very low	49.3	Very low	105 Å²	105	98.5 Å²	98.5	68%	0.682	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	155.2	165.1	29.2	-33.4	0	0	0	109.5	K348	P346-K348 PolarHBondContact O-N 3Å
347	N	45.5	Very low	51.9	Low	97 Å²	97	94.3 Å²	94.3	52%	0.519	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	67.4	18.7	166	-48.7	-15.2	0	0	0	117.5	E94 T349	E94-N347 PolarHBondContact OE2-ND2 3.23Å; N347-T349 PolarHBondContact O-N 3.2Å
348	K	47.4	Very low	54.2	Low	123 Å²	123	90.2 Å²	90.2	54%	0.535	54%	0.54	S	S	.	.			trans	-77.4	86.5	165.2	-167.2	168.2	-171.1	170.6	0	110.9	P346	P346-K348 PolarHBondContact O-N 3Å
349	T	52.4	Low	56.9	Low	31 Å²	31	84.4 Å²	84.4	19%	0.19	51%	0.51	C	S	.	.			trans	-61.5	150.5	173.2	51.3	0	0	0	0	111.3	Q90 T321 N347	Q90-T349 VanDerWaalsContact CD-OG1 3.3Å; Q90-T349 PolarHBondContact NE2-OG1 3.42Å; Q90-T349 PolarHBondContact OE1-OG1 3.05Å; Q90-T349 VanDerWaalsContact OE1-OG1 3.09Å; T321-T349 HydrophobicContact CG2-CG2 4.48Å; N347-T349 PolarHBondContact O-N 3.2Å
350	C	57.2	Low	59.7	Low	96 Å²	96	76 Å²	76	65%	0.649	47%	0.471	S	S	*	.			trans	-72.2	133.9	172	-154	0	0	0	0	110.1	W319	W319-C350 PolarHBondContact NE1-O 3.3Å
351	G	67.9	Low	62.6	Low	24 Å²	24	71.2 Å²	71.2	25%	0.247	44%	0.44	C	S	.	.			trans	-65.7	177.8	168.1	0	0	0	0	0	111.8	T353	G351-T353 PolarHBondContact O-N 3.07Å
352	P	81.9	Confident	65.7	Low	45 Å²	45	66.3 Å²	66.3	29%	0.292	41%	0.405	S	S	.	.			trans	-61.6	133	179.4	30	-39.2	0	0	0	111.1	R214 E216 W319 L357	R214-P352 VanDerWaalsContact NH2-CG 3.32Å; E216-P352 VanDerWaalsContact OE1-CD 3.23Å; E216-P352 WeakPolarHBondContact OE1-CD 3.49Å; W319-P352 HydrophobicContact CB-CB 4.37Å; W319-P352 HydrophobicContact CD2-CB 4.12Å; W319-P352 HydrophobicContact CE3-CB 4.27Å; W319-P352 HydrophobicContact CG-CB 4.18Å; P352-L357 HydrophobicContact CB-CD1 4.07Å
353	T	80.5	Confident	69	Low	63 Å²	63	61.2 Å²	61.2	39%	0.387	37%	0.37	S	S	.	.			trans	-115.5	163.4	164.4	59.5	0	0	0	0	108.4	G351 D355 T356 L357	G351-T353 PolarHBondContact O-N 3.07Å; T353-D355 PolarHBondContact O-N 3.32Å; T353-T356 PolarHBondContact N-OG1 3.23Å; T353-T356 PolarHBondContact O-N 3.11Å; T353-T356 PolarHBondContact O-OG1 3.23Å; T353-T356 WeakPolarHBondContact OG1-CG2 3.23Å; T353-T356 PolarHBondContact OG1-N 3.15Å; T353-T356 PolarHBondContact OG1-OG1 2.73Å; T353-L357 WeakPolarHBondContact O-CB 3.27Å; T353-L357 PolarHBondContact O-N 3.07Å
354	A	77	Confident	72	Confident	56 Å²	56	58.7 Å²	58.7	46%	0.463	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.3	-177.7	0	0	0	0	0	113.8	T714	A354-T714 PolarHBondContact O-OG1 2.98Å
355	D	77.7	Confident	75	Confident	160 Å²	160	53 Å²	53	86%	0.856	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-19.3	179.8	-49.9	-44.4	0	0	0	113.1	T353	T353-D355 PolarHBondContact O-N 3.32Å
356	T	84.5	Confident	77.6	Confident	40 Å²	40	49.6 Å²	49.6	25%	0.245	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-17	176.8	59.6	0	0	0	0	113.9	W319 S320 T353 V358	W319-T356 WeakPolarHBondContact CA-O 3.26Å; W319-T356 WeakPolarHBondContact CB-O 3.31Å; S320-T356 PolarHBondContact N-O 3.41Å; S320-T356 VanDerWaalsContact N-O 3.08Å; T353-T356 PolarHBondContact N-OG1 3.23Å; T353-T356 PolarHBondContact O-N 3.11Å; T353-T356 PolarHBondContact O-OG1 3.23Å; T353-T356 WeakPolarHBondContact OG1-CG2 3.23Å; T353-T356 PolarHBondContact OG1-N 3.15Å; T353-T356 PolarHBondContact OG1-OG1 2.73Å; T356-V358 PolarHBondContact O-N 2.89Å
357	L	86.4	Confident	79.9	Confident	25 Å²	25	45.4 Å²	45.4	13%	0.131	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	116.4	179.4	-171.3	73.2	0	0	0	111.2	D317 P352 T353 A715	D317-L357 HydrophobicContact CB-CD1 3.87Å; P352-L357 HydrophobicContact CB-CD1 4.07Å; T353-L357 WeakPolarHBondContact O-CB 3.27Å; T353-L357 PolarHBondContact O-N 3.07Å; L357-A715 HydrophobicContact CB-CB 4.36Å; L357-A715 HydrophobicContact CD2-CB 3.82Å; L357-A715 HydrophobicContact CG-CB 3.83Å; L357-A715 WeakPolarHBondContact O-CB 3.47Å
358	V	87.5	Confident	81.6	Confident	42 Å²	42	42.3 Å²	42.3	26%	0.255	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-45.5	-176.2	-179.5	0	0	0	0	110.9	L318 T356	L318-V358 HydrophobicContact CB-CB 4.49Å; L318-V358 HydrophobicContact CD2-CB 4.33Å; L318-V358 HydrophobicContact CD2-CG1 4.19Å; L318-V358 HydrophobicContact CG-CB 4.43Å; L318-V358 WeakPolarHBondContact O-CB 3.31Å; L318-V358 PolarHBondContact O-N 2.89Å; T356-V358 PolarHBondContact O-N 2.89Å
359	S	89.9	Confident	83.2	Confident	11 Å²	11	39.3 Å²	39.3	8%	0.077	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	147.4	177.8	60.6	0	0	0	0	111.1	W316 D317 L318 A715	W316-S359 VanDerWaalsContact CH2-OG 3.31Å; W316-S359 WeakPolarHBondContact CH2-OG 3.14Å; W316-S359 WeakPolarHBondContact CZ3-OG 3.42Å; D317-S359 WeakPolarHBondContact CA-O 3.47Å; L318-S359 PolarHBondContact N-O 2.92Å; L318-S359 PolarHBondContact O-N 3.46Å; S359-A715 CarbonylContact C-O 3.37Å; S359-A715 WeakPolarHBondContact CA-O 3.48Å
360	S	91.7	Very high	84.4	Confident	4 Å²	4	40.9 Å²	40.9	3%	0.028	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.4	177.9	-177.2	0	0	0	0	110.3	W316 D317 A715 L717	W316-S360 WeakPolarHBondContact O-CA 3.29Å; D317-S360 WeakPolarHBondContact OD1-CB 3.38Å; D317-S360 PolarHBondContact OD1-OG 3.33Å; S360-A715 PolarHBondContact N-O 3.25Å; S360-L717 PolarHBondContact O-N 3.39Å
361	A	92.9	Very high	86	Confident	5 Å²	5	36.5 Å²	36.5	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	143.1	175.4	0	0	0	0	0	112.2	F315 W316 L717 P720	F315-A361 CarbonylContact C-O 3.53Å; F315-A361 WeakPolarHBondContact CA-O 3.42Å; W316-A361 HydrophobicContact CE3-CB 4.5Å; W316-A361 PolarHBondContact N-O 3.46Å; W316-A361 PolarHBondContact O-N 2.75Å; A361-L717 HydrophobicContact CB-CB 4.23Å; A361-L717 HydrophobicContact CB-CD1 3.92Å; A361-P720 HydrophobicContact CB-CB 4.17Å; A361-P720 HydrophobicContact CB-CG 4.21Å
362	K	94.7	Very high	87.1	Confident	25 Å²	25	37.5 Å²	37.5	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.4	156.5	-174.7	167.6	171.3	164.5	0	108.3	D313 F315 F724 H728	D313-K362 WeakPolarHBondContact OD1-CE 3.23Å; D313-K362 IonicContact OD1-NZ 3.82Å; D313-K362 PolarHBondContact OD1-NZ 3.15Å; D313-K362 WeakPolarHBondContact OD2-CE 3.48Å; D313-K362 IonicContact OD2-NZ 3.62Å; D313-K362 PolarHBondContact OD2-NZ 3.44Å; F315-K362 HydrophobicContact CD1-CB 3.81Å; F315-K362 HydrophobicContact CD1-CG 4.33Å; F315-K362 HydrophobicContact CE1-CB 3.73Å; F315-K362 HydrophobicContact CE1-CD 4.11Å; F315-K362 HydrophobicContact CE1-CG 4.07Å; F315-K362 HydrophobicContact CZ-CD 4.16Å; F315-K362 HydrophobicContact CZ-CG 4.4Å; K362-F724 HydrophobicContact CB-CD2 3.8Å; K362-F724 HydrophobicContact CB-CE2 4.06Å; K362-F724 HydrophobicContact CD-CB 4.24Å; K362-F724 HydrophobicContact CD-CD1 4.39Å; K362-F724 HydrophobicContact CD-CD2 3.9Å; K362-F724 HydrophobicContact CD-CE2 4.36Å; K362-F724 HydrophobicContact CD-CG 3.92Å; K362-F724 HydrophobicContact CG-CD2 3.73Å; K362-F724 HydrophobicContact CG-CE2 3.8Å; K362-F724 HydrophobicContact CG-CG 4.25Å; K362-F724 HydrophobicContact CG-CZ 4.37Å; K362-F724 VanDerWaalsContact O-CE2 3.3Å; K362-F724 WeakPolarHBondContact O-CE2 3.14Å; K362-H728 PolarHBondContact NZ-NE2 2.98Å; K362-H728 VanDerWaalsContact NZ-NE2 3.2Å
363	L	94.8	Very high	87.6	Confident	16 Å²	16	36.2 Å²	36.2	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-43.8	177.5	-70.7	-179.1	0	0	0	112.3	L230 L314 W316 A433 C434 L443	L230-L363 HydrophobicContact CD2-CD1 3.86Å; L314-L363 HydrophobicContact CD2-CD1 4.31Å; L314-L363 PolarHBondContact O-N 3.35Å; W316-L363 HydrophobicContact CB-CD1 3.61Å; W316-L363 HydrophobicContact CB-CD2 4.28Å; W316-L363 HydrophobicContact CB-CG 3.76Å; W316-L363 HydrophobicContact CG-CD1 4.43Å; L363-A433 CarbonylContact O-C 3.59Å; L363-A433 WeakPolarHBondContact O-CA 3.49Å; L363-A433 WeakPolarHBondContact O-CB 3.29Å; L363-C434 PolarHBondContact O-N 3.12Å; L363-L443 HydrophobicContact CD1-CD1 3.72Å; L363-L443 HydrophobicContact CD1-CD2 4.01Å; L363-L443 HydrophobicContact CD2-CD1 4.07Å
364	L	95.6	Very high	88.1	Confident	44 Å²	44	37.6 Å²	37.6	23%	0.23	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	149.4	-168.5	176.9	153.3	0	0	0	111.4	D313 L314 L366 V431 V432 A433	D313-L364 WeakPolarHBondContact CA-O 3.35Å; L314-L364 HydrophobicContact CB-CB 4.12Å; L314-L364 PolarHBondContact N-O 3.41Å; L314-L364 PolarHBondContact O-N 2.91Å; L364-L366 HydrophobicContact CD2-CD1 4.26Å; L364-L366 HydrophobicContact CD2-CG 4.19Å; L364-V431 HydrophobicContact CD1-CG1 3.77Å; L364-V431 HydrophobicContact CG-CG1 4.17Å; L364-V432 CarbonylContact C-O 3.58Å; L364-V432 WeakPolarHBondContact CA-O 3.33Å; L364-A433 HydrophobicContact CB-CB 4.02Å; L364-A433 HydrophobicContact CD1-CB 4.23Å; L364-A433 HydrophobicContact CG-CB 4.25Å
365	T	94.5	Very high	88.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.7	167.8	-168.5	0	0	0	0	111.6	D313 S367 V432 F724 F727	D313-T365 WeakPolarHBondContact OD1-CA 3.48Å; D313-T365 WeakPolarHBondContact OD1-CB 3.28Å; D313-T365 PolarHBondContact OD1-OG1 3.3Å; T365-S367 PolarHBondContact OG1-OG 2.86Å; T365-V432 HydrophobicContact CG2-CB 3.95Å; T365-V432 PolarHBondContact N-O 2.88Å; T365-V432 PolarHBondContact O-N 3.32Å; T365-F724 HydrophobicContact CG2-CD1 4.13Å; T365-F724 HydrophobicContact CG2-CE1 3.75Å; T365-F727 HydrophobicContact CG2-CD1 4.21Å; T365-F727 HydrophobicContact CG2-CE1 3.93Å
366	L	93	Very high	89	Confident	29 Å²	29	30.5 Å²	30.5	15%	0.152	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	80.9	166.9	-79.1	151.6	0	0	0	106.5	E311 A312 L364 H371 L428 V431	E311-L366 WeakPolarHBondContact CA-O 3.37Å; A312-L366 HydrophobicContact CB-CB 4.12Å; A312-L366 HydrophobicContact CB-CD1 4.05Å; A312-L366 PolarHBondContact N-O 2.98Å; A312-L366 PolarHBondContact O-N 3.49Å; L364-L366 HydrophobicContact CD2-CD1 4.26Å; L364-L366 HydrophobicContact CD2-CG 4.19Å; L366-H371 PolarHBondContact O-NE2 3.07Å; L366-L428 HydrophobicContact CD2-CD2 4.48Å; L366-V431 HydrophobicContact CD2-CG2 3.81Å
367	S	85.2	Confident	88.9	Confident	17 Å²	17	30.6 Å²	30.6	12%	0.119	17%	0.174	C	C	.	.			trans	-82.5	153.4	-171.7	-74.6	0	0	0	0	113.1	T365 H371 F727 H728	T365-S367 PolarHBondContact OG1-OG 2.86Å; S367-H371 PolarHBondContact O-NE2 3.27Å; S367-F727 WeakPolarHBondContact OG-CE1 3.47Å; S367-H728 PolarHBondContact OG-CE1 2.99Å; S367-H728 VanDerWaalsContact OG-CE1 3.31Å
368	G	81.4	Confident	88.3	Confident	33 Å²	33	34.6 Å²	34.6	34%	0.34	19%	0.187	S	C	.	.	S	Bend	trans	80.1	-176.4	-178.1	0	0	0	0	0	114.6	E311 H371	E311-G368 PolarHBondContact N-O 2.79Å; G368-H371 PolarHBondContact O-CD2 2.89Å; G368-H371 PolarHBondContact O-NE2 3.28Å
369	S	80	Confident	87	Confident	59 Å²	59	35.3 Å²	35.3	41%	0.413	19%	0.192	S	C	.	.	S	Bend	trans	-108.9	16.1	-172.4	64.2	0	0	0	0	114	H308 E310 H371	H308-S369 PolarHBondContact NE2-O 3.2Å; E310-S369 WeakPolarHBondContact OE1-CB 3.36Å; S369-H371 VanDerWaalsContact C-N 3.34Å
370	E	77.5	Confident	85.1	Confident	65 Å²	65	36.4 Å²	36.4	30%	0.304	21%	0.205	S	C	.	.			trans	-84.7	-5	-173.6	-61.7	-155.5	114.1	0	0	114.1	W262 T372	W262-E370 PolarHBondContact NE1-OE1 2.74Å; E370-T372 PolarHBondContact O-N 2.82Å
371	H	90.6	Very high	82.9	Confident	3 Å²	3	39.4 Å²	39.4	1%	0.014	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	113.4	-172.1	-44.2	-81.7	0	0	0	110.4	H308 L309 L366 S367 G368 S369 D427 L428 G429	H308-H371 PolarHBondContact CD2-O 3.2Å; L309-H371 HydrophobicContact CB-CB 3.94Å; L309-H371 HydrophobicContact CD2-CB 4.04Å; L309-H371 HydrophobicContact CG-CB 4.32Å; L309-H371 PolarHBondContact N-O 2.92Å; L309-H371 WeakPolarHBondContact O-CB 3.48Å; L366-H371 PolarHBondContact O-NE2 3.07Å; S367-H371 PolarHBondContact O-NE2 3.27Å; G368-H371 PolarHBondContact O-CD2 2.89Å; G368-H371 PolarHBondContact O-NE2 3.28Å; S369-H371 VanDerWaalsContact C-N 3.34Å; H371-D427 CarbonylContact C-O 3.58Å; H371-D427 VanDerWaalsContact CA-O 3.3Å; H371-D427 WeakPolarHBondContact CA-O 3.46Å; H371-L428 HydrophobicContact CB-CD2 4.17Å; H371-G429 PolarHBondContact CE1-N 3.44Å; H371-G429 VanDerWaalsContact CE1-N 3.32Å; H371-G429 PolarHBondContact ND1-N 2.87Å
372	T	92.3	Very high	80.1	Confident	46 Å²	46	43.4 Å²	43.4	28%	0.282	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.2	-178.2	94.4	0	0	0	0	111.1	I307 E370 V426 D427	I307-T372 CarbonylContact O-C 3.56Å; I307-T372 WeakPolarHBondContact O-CA 3.39Å; E370-T372 PolarHBondContact O-N 2.82Å; T372-V426 CarbonylContact O-C 3.58Å; T372-V426 WeakPolarHBondContact O-CA 3.44Å; T372-D427 PolarHBondContact N-O 3.12Å; T372-D427 PolarHBondContact O-N 3.34Å
373	A	92.1	Very high	77.1	Confident	17 Å²	17	49.1 Å²	49.1	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	113.4	174.6	0	0	0	0	0	110.9	I307 L424 H425 V426	I307-A373 HydrophobicContact CB-CB 4.2Å; I307-A373 WeakPolarHBondContact CB-O 3.4Å; I307-A373 PolarHBondContact N-O 2.61Å; I307-A373 PolarHBondContact O-N 3.25Å; A373-L424 HydrophobicContact CB-CD1 4.27Å; A373-H425 CarbonylContact C-O 3.53Å; A373-H425 WeakPolarHBondContact CA-O 3.4Å; A373-V426 HydrophobicContact CB-CB 4.5Å; A373-V426 HydrophobicContact CB-CG1 4.3Å; A373-V426 HydrophobicContact CB-CG2 4.02Å
374	R	90.3	Very high	74	Confident	93 Å²	93	55.7 Å²	55.7	35%	0.351	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	105.4	179.8	-175.3	-178.3	-178.1	-146.6	-0.2	110.4	H304 K305 I306 H425	H304-R374 PolarHBondContact CE1-NH2 3.21Å; K305-R374 CarbonylContact O-C 3.56Å; K305-R374 WeakPolarHBondContact O-CA 3.18Å; I306-R374 HydrophobicContact CG1-CG 4.26Å; R374-H425 HydrophobicContact CB-CB 4.44Å; R374-H425 PolarHBondContact N-O 3.14Å; R374-H425 PolarHBondContact O-N 2.78Å
375	L	89	Confident	70.9	Confident	57 Å²	57	58.5 Å²	58.5	30%	0.298	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.3	170.5	-164.4	71.1	0	0	0	109.7	H304 K305 L422 L424	H304-L375 WeakPolarHBondContact CA-O 3.32Å; K305-L375 HydrophobicContact CB-CB 4.48Å; K305-L375 PolarHBondContact N-O 3.44Å; K305-L375 PolarHBondContact O-N 3.01Å; L375-L422 HydrophobicContact CD1-CD1 3.89Å; L375-L422 HydrophobicContact CD1-CG 4.4Å; L375-L422 HydrophobicContact CG-CD1 4.28Å; L375-L424 HydrophobicContact CD1-CB 4.32Å; L375-L424 HydrophobicContact CD1-CD1 4.14Å
376	S	85.8	Confident	67.9	Low	10 Å²	10	63.5 Å²	63.5	7%	0.07	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	105.6	178	-49	0	0	0	0	108.9	L303 H304 R423	L303-S376 WeakPolarHBondContact O-CA 3.39Å; H304-S376 PolarHBondContact CE1-OG 3.02Å; H304-S376 VanDerWaalsContact CE1-OG 3.23Å; H304-S376 WeakPolarHBondContact ND1-CB 3.47Å; H304-S376 PolarHBondContact ND1-OG 2.7Å; S376-R423 PolarHBondContact N-O 2.91Å; S376-R423 PolarHBondContact O-N 3.25Å
377	L	80.8	Confident	65.1	Low	41 Å²	41	70 Å²	70	22%	0.215	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.3	-178.4	169.9	60.6	0	0	0	109.7	M302 L303 V379 F420 L422	M302-L377 CarbonylContact C-O 3.55Å; M302-L377 VanDerWaalsContact CA-O 3.28Å; M302-L377 WeakPolarHBondContact CA-O 3.44Å; L303-L377 PolarHBondContact N-O 3.3Å; L303-L377 PolarHBondContact O-N 2.95Å; L377-V379 HydrophobicContact CD1-CG2 4.28Å; L377-V379 HydrophobicContact CD2-CG2 4.36Å; L377-V379 HydrophobicContact CG-CG2 4.13Å; L377-F420 HydrophobicContact CD1-CD2 4.23Å; L377-F420 HydrophobicContact CD1-CE1 4.48Å; L377-F420 HydrophobicContact CD1-CE2 3.5Å; L377-F420 VanDerWaalsContact CD1-CE2 3.5Å; L377-F420 HydrophobicContact CD1-CZ 3.64Å; L377-L422 HydrophobicContact CB-CD1 4.07Å; L377-L422 HydrophobicContact CD1-CD1 4.07Å
378	R	75.1	Confident	62.3	Low	109 Å²	109	73.8 Å²	73.8	41%	0.411	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.9	170.2	-170.5	-178.8	-176.9	-159	-3.6	110.2	T301 M302 Q421	T301-R378 WeakPolarHBondContact O-CA 3.27Å; M302-R378 HydrophobicContact CB-CB 4.33Å; M302-R378 HydrophobicContact CG-CB 4.08Å; M302-R378 HydrophobicContact SD-CB 4.14Å; R378-Q421 HydrophobicContact CB-CB 4.41Å; R378-Q421 PolarHBondContact N-O 3.19Å; R378-Q421 PolarHBondContact O-N 3.14Å
379	V	60.8	Low	60.2	Low	57 Å²	57	78.4 Å²	78.4	35%	0.345	46%	0.458	S	S	.	.			trans	-101.4	130.6	171.6	-177.2	0	0	0	0	109.1	T301 L377 S381	T301-V379 PolarHBondContact O-N 3.44Å; T301-V379 PolarHBondContact OG1-O 3Å; L377-V379 HydrophobicContact CD1-CG2 4.28Å; L377-V379 HydrophobicContact CD2-CG2 4.36Å; L377-V379 HydrophobicContact CG-CG2 4.13Å; V379-S381 VanDerWaalsContact C-N 3.31Å; V379-S381 PolarHBondContact O-N 2.82Å; V379-S381 VanDerWaalsContact O-N 3.11Å
380	G	49.8	Very low	58	Low	35 Å²	35	81.8 Å²	81.8	36%	0.361	48%	0.477	S	S	.	.			trans	-82	66.6	177	0	0	0	0	0	112.3	A382	G380-A382 PolarHBondContact O-N 2.85Å
381	S	44.8	Very low	56.1	Low	67 Å²	67	84.4 Å²	84.4	47%	0.469	50%	0.5	S	S	.	.			trans	-63.8	119.2	-179.1	-56.2	0	0	0	0	112	V379 L383	V379-S381 VanDerWaalsContact C-N 3.31Å; V379-S381 PolarHBondContact O-N 2.82Å; V379-S381 VanDerWaalsContact O-N 3.11Å; S381-L383 PolarHBondContact O-N 3.38Å
382	A	35.2	Very low	53.5	Low	88 Å²	88	90 Å²	90	73%	0.727	54%	0.539	S	S	*	.			trans	-74.4	45.8	174.1	0	0	0	0	0	113	G380 N384	G380-A382 PolarHBondContact O-N 2.85Å; A382-N384 VanDerWaalsContact C-N 3.27Å; A382-N384 PolarHBondContact O-N 3.18Å
383	L	31.5	Very low	50.5	Low	146 Å²	146	94.1 Å²	94.1	76%	0.764	56%	0.564	S	S	*	*			trans	-79.6	73.6	179.6	-83.2	167.7	0	0	0	111.2	S381	S381-L383 PolarHBondContact O-N 3.38Å
384	N	29.6	Very low	47.8	Very low	154 Å²	154	100.2 Å²	100.2	82%	0.824	59%	0.593	S	S	*	*			trans	-123.5	37.5	167.9	-136.8	17	0	0	0	111.2	A382 S386	A382-N384 VanDerWaalsContact C-N 3.27Å; A382-N384 PolarHBondContact O-N 3.18Å; N384-S386 VanDerWaalsContact C-N 3.31Å; N384-S386 PolarHBondContact O-N 2.72Å; N384-S386 VanDerWaalsContact O-N 3.08Å
385	V	30.7	Very low	45.1	Very low	102 Å²	102	104 Å²	104	62%	0.618	62%	0.615	S	S	*	*			trans	-79.6	82.2	169.9	-174.4	0	0	0	0	108.3	H387	V385-H387 PolarHBondContact O-N 3.45Å
386	S	30.2	Very low	42.2	Very low	106 Å²	106	105.7 Å²	105.7	74%	0.741	63%	0.632	S	S	*	*			trans	-71.8	89.9	172.9	57.7	0	0	0	0	109.9	N384 S388	N384-S386 VanDerWaalsContact C-N 3.31Å; N384-S386 PolarHBondContact O-N 2.72Å; N384-S386 VanDerWaalsContact O-N 3.08Å; S386-S388 PolarHBondContact O-N 3.09Å
387	H	34	Very low	39.6	Very low	165 Å²	165	112.4 Å²	112.4	76%	0.764	67%	0.667	S	S	*	*			trans	-63.4	102.9	173.5	-77.8	-87.3	0	0	0	110.9	V385	V385-H387 PolarHBondContact O-N 3.45Å
388	S	27.6	Very low	37.4	Very low	97 Å²	97	118.4 Å²	118.4	68%	0.678	70%	0.699	S	S	*	*			trans	-75.9	120.4	158	54.8	0	0	0	0	109	S386	S386-S388 PolarHBondContact O-N 3.09Å
389	P	37.6	Very low	35.3	Very low	129 Å²	129	119.8 Å²	119.8	84%	0.838	71%	0.714	S	S	*	*			trans	-66	154.3	172.5	28.2	-33.6	0	0	0	111.2
390	T	33.5	Very low	34.2	Very low	131 Å²	131	123 Å²	123	80%	0.804	74%	0.736	S	S	*	*			trans	-101.1	-156.9	-160.9	55.6	0	0	0	0	112.5
391	P	37.8	Very low	33.3	Very low	120 Å²	120	131.5 Å²	131.5	78%	0.779	76%	0.757	S	S	*	*				-125.9	168.7	-112.4	36.5	-16.8	0	0	0	115.7
392	S	35.2	Very low	32.6	Very low	121 Å²	121	135.7 Å²	135.7	85%	0.846	77%	0.771	S	S	*	*			trans	-151.9	131.2	162.5	62.4	0	0	0	0	113.2
393	T	29.8	Very low	32.5	Very low	132 Å²	132	138.2 Å²	138.2	81%	0.81	77%	0.771	S	S	*	*			trans	-86.6	144.6	178.7	-44.3	0	0	0	0	111.6
394	I	35.1	Very low	32.5	Very low	144 Å²	144	137.7 Å²	137.7	74%	0.738	77%	0.769	S	S	*	*			trans	161.2	123	131.2	-84.4	161.3	0	0	0	113.4
395	Q	34.1	Very low	32.5	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.804	76%	0.763	S	S	*	*			trans	60.2	126.4	150.7	-71.6	172.8	-23.7	0	0	124.8
396	S	28.4	Very low	32.5	Very low	94 Å²	94	138.1 Å²	138.1	66%	0.657	77%	0.772	S	S	*	*			trans	70.8	126.1	135.5	59.8	0	0	0	0	122.7
397	D	29.9	Very low	32.4	Very low	151 Å²	151	139.6 Å²	139.6	81%	0.807	78%	0.777	S	S	*	*			trans	54.2	110.5	138	-46.9	-16.8	0	0	0	117.5
398	D	34.4	Very low	32.3	Very low	166 Å²	166	137 Å²	137	89%	0.888	78%	0.777	S	S	*	*				-159.3	170.1	70.3	-128.5	-27.1	0	0	0	114.4
399	L	31.3	Very low	32.4	Very low	139 Å²	139	139 Å²	139	73%	0.728	78%	0.78	S	S	*	*			trans	-127	146.6	173.6	-143.9	89.3	0	0	0	110
400	P	38.2	Very low	32	Very low	124 Å²	124	138.1 Å²	138.1	81%	0.805	78%	0.777	S	S	*	*				-151.4	162.2	92.8	37.3	-18.8	0	0	0	117.9
401	R	30.3	Very low	31.8	Very low	213 Å²	213	138.6 Å²	138.6	80%	0.804	78%	0.775	S	S	*	*			trans	-132.9	130.4	144.4	-114.5	169.2	179.1	161.8	-0.1	116.7
402	M	29.9	Very low	31.4	Very low	155.5 Å²	155.5	139.1 Å²	139.1	77%	0.766	78%	0.776	S	S	*	*			trans	127.9	126.5	130.2	-77.1	178.2	72	0	0	113
403	I	33.4	Very low	31	Very low	140.5 Å²	140.5	143.3 Å²	143.3	72%	0.721	78%	0.779	S	S	*	*				147.4	150.5	73.7	-82.5	175.3	0	0	0	112.6
404	N	31.8	Very low	31	Very low	135.5 Å²	135.5	143.9 Å²	143.9	73%	0.725	78%	0.776	S	S	*	*			trans	9.7	153.2	-176.6	-65.2	-9.9	0	0	0	119.1
405	T	29.8	Very low	30.8	Very low	116 Å²	116	140.6 Å²	140.6	71%	0.712	77%	0.771	S	S	*	*				127.4	115.8	63.1	28.3	0	0	0	0	114
406	N	29.4	Very low	30.7	Very low	149 Å²	149	138.7 Å²	138.7	80%	0.797	77%	0.766	S	S	*	*			trans	-29.2	136.3	151.2	-75.7	-13.9	0	0	0	116.4	S408	N406-S408 PolarHBondContact O-N 3.33Å
407	T	28.2	Very low	30.9	Very low	137.5 Å²	137.5	141.2 Å²	141.2	84%	0.844	77%	0.769	S	S	*	*			trans	-14.9	81.1	163.3	-3	0	0	0	0	113	N409	T407-N409 PolarHBondContact O-N 3.05Å
408	S	31.6	Very low	31.7	Very low	110.5 Å²	110.5	137.6 Å²	137.6	77%	0.773	76%	0.756	S	S	*	*			trans	-101	118.6	161.9	52.9	0	0	0	0	110.3	N406 S410	N406-S408 PolarHBondContact O-N 3.33Å; S408-S410 PolarHBondContact O-N 3.01Å
409	N	30.8	Very low	32.7	Very low	138.5 Å²	138.5	133.6 Å²	133.6	74%	0.741	74%	0.735	S	S	*	*			trans	-66.1	123.7	173.2	-75.4	-4.8	0	0	0	110.1	T407 N411	T407-N409 PolarHBondContact O-N 3.05Å; N409-N411 VanDerWaalsContact C-N 3.29Å; N409-N411 PolarHBondContact O-N 3.05Å
410	S	28.7	Very low	34.3	Very low	110.5 Å²	110.5	130.3 Å²	130.3	77%	0.773	72%	0.715	S	S	*	*			trans	-75.8	69.6	172.2	56.6	0	0	0	0	110.9	S408 T412	S408-S410 PolarHBondContact O-N 3.01Å; S410-T412 VanDerWaalsContact C-N 3.33Å; S410-T412 PolarHBondContact O-N 3.1Å
411	N	29	Very low	36	Very low	141 Å²	141	126 Å²	126	75%	0.754	68%	0.683	S	S	*	*			trans	-65.8	97	166.2	-80.4	11.1	0	0	0	108.3	N409 K413	N409-N411 VanDerWaalsContact C-N 3.29Å; N409-N411 PolarHBondContact O-N 3.05Å; N411-K413 PolarHBondContact O-N 3.21Å; N411-K413 VanDerWaalsContact O-N 3.08Å
412	T	29.8	Very low	38.5	Very low	131.5 Å²	131.5	118 Å²	118	81%	0.807	66%	0.657	S	S	*	*			trans	-59.6	103.5	170.2	41.6	0	0	0	0	109	S410 L414	S410-T412 VanDerWaalsContact C-N 3.33Å; S410-T412 PolarHBondContact O-N 3.1Å; T412-L414 VanDerWaalsContact C-N 3.27Å; T412-L414 PolarHBondContact O-N 2.82Å
413	K	28	Very low	41.1	Very low	208 Å²	208	116.1 Å²	116.1	90%	0.904	64%	0.641	S	S	*	*			trans	-66.8	86.3	166.9	-81.9	-172.4	174	-177.3	0	108.8	N411 A415	N411-K413 PolarHBondContact O-N 3.21Å; N411-K413 VanDerWaalsContact O-N 3.08Å; K413-A415 PolarHBondContact O-N 3.47Å; K413-A415 VanDerWaalsContact O-N 3.07Å
414	L	29.4	Very low	43.8	Very low	145 Å²	145	111.8 Å²	111.8	76%	0.759	62%	0.619	S	S	*	*			trans	-61.5	125.8	158.2	-161.1	71.4	0	0	0	107	T412 N416	T412-L414 VanDerWaalsContact C-N 3.27Å; T412-L414 PolarHBondContact O-N 2.82Å; L414-N416 PolarHBondContact O-N 3.27Å
415	A	30.5	Very low	46.6	Very low	74.5 Å²	74.5	108.3 Å²	108.3	62%	0.616	60%	0.598	S	S	*	*			trans	-74.8	123.7	-177.1	0	0	0	0	0	109.6	K413 M417	K413-A415 PolarHBondContact O-N 3.47Å; K413-A415 VanDerWaalsContact O-N 3.07Å; A415-M417 PolarHBondContact O-N 3.04Å
416	N	32.2	Very low	49.6	Very low	133 Å²	133	103.9 Å²	103.9	71%	0.711	57%	0.571	S	S	*	*			trans	-61.5	104.4	172.2	-77.9	19.1	0	0	0	109.5	L414 S418	L414-N416 PolarHBondContact O-N 3.27Å; N416-S418 PolarHBondContact O-N 3.28Å
417	M	32.5	Very low	52.6	Low	145 Å²	145	98.3 Å²	98.3	71%	0.714	54%	0.541	S	S	*	.			trans	-80.6	74.8	170.9	-81.3	-67.2	177.8	0	0	111.5	A415 D419	A415-M417 PolarHBondContact O-N 3.04Å; M417-D419 PolarHBondContact O-N 3.35Å
418	S	46.1	Very low	55.7	Low	77 Å²	77	94 Å²	94	54%	0.538	51%	0.513	S	S	.	.			trans	-8.7	36.7	-176.2	56.8	0	0	0	0	117.5	N416 F420	N416-S418 PolarHBondContact O-N 3.28Å; S418-F420 PolarHBondContact O-N 2.87Å
419	D	55.4	Low	58.5	Low	81.5 Å²	81.5	88.7 Å²	88.7	44%	0.436	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	37.1	175.7	-88.5	19	0	0	0	112.4	M417 Q421	M417-D419 PolarHBondContact O-N 3.35Å; D419-Q421 PolarHBondContact O-N 2.92Å
420	F	64.9	Low	61.4	Low	70 Å²	70	82.5 Å²	82.5	31%	0.307	44%	0.443	S	S	.	.			trans	-74.1	123.6	169.8	-179.3	-84.6	0	0	0	110	L377 S418 L422 T600 K601	L377-F420 HydrophobicContact CD1-CD2 4.23Å; L377-F420 HydrophobicContact CD1-CE1 4.48Å; L377-F420 HydrophobicContact CD1-CE2 3.5Å; L377-F420 VanDerWaalsContact CD1-CE2 3.5Å; L377-F420 HydrophobicContact CD1-CZ 3.64Å; S418-F420 PolarHBondContact O-N 2.87Å; F420-L422 HydrophobicContact CE1-CB 4.25Å; F420-L422 HydrophobicContact CZ-CB 4.48Å; F420-T600 HydrophobicContact CD1-CG2 4.14Å; F420-K601 PolarHBondContact O-N 3.07Å
421	Q	74.2	Confident	64.5	Low	32 Å²	32	78.2 Å²	78.2	15%	0.15	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	122.4	174.9	-172.2	175.9	49.9	0	0	111.9	R378 D419 R423 T600 K601	R378-Q421 HydrophobicContact CB-CB 4.41Å; R378-Q421 PolarHBondContact N-O 3.19Å; R378-Q421 PolarHBondContact O-N 3.14Å; D419-Q421 PolarHBondContact O-N 2.92Å; Q421-R423 VanDerWaalsContact CD-NE 3.26Å; Q421-R423 HydrophobicContact CG-CG 4.18Å; Q421-R423 VanDerWaalsContact OE1-CZ 3.28Å; Q421-T600 PolarHBondContact NE2-OG1 3.48Å; Q421-K601 WeakPolarHBondContact CA-O 3.2Å; Q421-K601 HydrophobicContact CG-CB 4.37Å; Q421-K601 WeakPolarHBondContact CG-O 3.43Å
422	L	82.3	Confident	67.7	Low	46.5 Å²	46.5	71.5 Å²	71.5	24%	0.243	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.7	169.1	-167.9	67.1	0	0	0	110.1	L375 L377 F420 K601 C602 S603	L375-L422 HydrophobicContact CD1-CD1 3.89Å; L375-L422 HydrophobicContact CD1-CG 4.4Å; L375-L422 HydrophobicContact CG-CD1 4.28Å; L377-L422 HydrophobicContact CB-CD1 4.07Å; L377-L422 HydrophobicContact CD1-CD1 4.07Å; F420-L422 HydrophobicContact CE1-CB 4.25Å; F420-L422 HydrophobicContact CZ-CB 4.48Å; L422-K601 PolarHBondContact N-O 3.23Å; L422-C602 CarbonylContact O-C 3.56Å; L422-C602 WeakPolarHBondContact O-CA 3.41Å; L422-S603 PolarHBondContact O-N 3.11Å; L422-S603 PolarHBondContact O-OG 3.05Å
423	R	85.7	Confident	70.8	Confident	116 Å²	116	66 Å²	66	44%	0.438	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.6	169.3	-41.8	-168	-171.2	-180	0.5	110.8	S376 Q421 S603	S376-R423 PolarHBondContact N-O 2.91Å; S376-R423 PolarHBondContact O-N 3.25Å; Q421-R423 VanDerWaalsContact CD-NE 3.26Å; Q421-R423 HydrophobicContact CG-CG 4.18Å; Q421-R423 VanDerWaalsContact OE1-CZ 3.28Å; R423-S603 CarbonylContact C-O 3.55Å; R423-S603 VanDerWaalsContact CA-O 3.26Å; R423-S603 WeakPolarHBondContact CA-O 3.4Å; R423-S603 WeakPolarHBondContact CG-OG 3.42Å
424	L	89.9	Confident	74	Confident	48.5 Å²	48.5	56.1 Å²	56.1	25%	0.254	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.7	175	174.6	58	0	0	0	109.2	A373 L375 V426 S603 M604 S605	A373-L424 HydrophobicContact CB-CD1 4.27Å; L375-L424 HydrophobicContact CD1-CB 4.32Å; L375-L424 HydrophobicContact CD1-CD1 4.14Å; L424-V426 HydrophobicContact CD1-CG2 3.96Å; L424-V426 HydrophobicContact CD2-CG2 4.24Å; L424-V426 HydrophobicContact CG-CG2 3.83Å; L424-S603 PolarHBondContact N-O 3.31Å; L424-M604 HydrophobicContact CB-CG 4.25Å; L424-M604 HydrophobicContact CD2-CG 4.18Å; L424-M604 HydrophobicContact CD2-SD 3.98Å; L424-M604 HydrophobicContact CG-CG 4.19Å; L424-M604 HydrophobicContact CG-SD 4.41Å; L424-M604 CarbonylContact O-C 3.54Å; L424-M604 VanDerWaalsContact O-CA 3.27Å; L424-M604 WeakPolarHBondContact O-CA 3.29Å; L424-S605 PolarHBondContact O-N 2.89Å
425	H	91	Very high	77.1	Confident	63.5 Å²	63.5	49.5 Å²	49.5	29%	0.294	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.7	170.3	-167.6	-78	0	0	0	108.9	A373 R374 D427 S605 N607	A373-H425 CarbonylContact C-O 3.53Å; A373-H425 WeakPolarHBondContact CA-O 3.4Å; R374-H425 HydrophobicContact CB-CB 4.44Å; R374-H425 PolarHBondContact N-O 3.14Å; R374-H425 PolarHBondContact O-N 2.78Å; H425-D427 IonicContact CE1-OD1 3.21Å; H425-D427 PolarHBondContact CE1-OD1 2.96Å; H425-D427 VanDerWaalsContact CE1-OD1 3.25Å; H425-D427 IonicContact CE1-OD2 3.38Å; H425-D427 PolarHBondContact CE1-OD2 2.87Å; H425-D427 IonicContact ND1-OD1 2.58Å; H425-D427 IonicContact ND1-OD2 3.16Å; H425-D427 PolarHBondContact ND1-OD2 3.18Å; H425-S605 CarbonylContact C-O 3.57Å; H425-S605 VanDerWaalsContact CA-O 3.32Å; H425-S605 WeakPolarHBondContact CA-O 3.42Å; H425-S605 PolarHBondContact CD2-OG 3.34Å; H425-N607 PolarHBondContact CE1-ND2 3.08Å; H425-N607 VanDerWaalsContact CE1-ND2 3.35Å
426	V	92.7	Very high	80	Confident	23 Å²	23	46 Å²	46	14%	0.139	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.8	177.4	-171.5	0	0	0	0	109	T372 A373 L424 L428 S605 L606 N607	T372-V426 CarbonylContact O-C 3.58Å; T372-V426 WeakPolarHBondContact O-CA 3.44Å; A373-V426 HydrophobicContact CB-CB 4.5Å; A373-V426 HydrophobicContact CB-CG1 4.3Å; A373-V426 HydrophobicContact CB-CG2 4.02Å; L424-V426 HydrophobicContact CD1-CG2 3.96Å; L424-V426 HydrophobicContact CD2-CG2 4.24Å; L424-V426 HydrophobicContact CG-CG2 3.83Å; V426-L428 HydrophobicContact CG1-CD2 3.93Å; V426-L428 HydrophobicContact CG1-CG 3.99Å; V426-S605 PolarHBondContact N-O 2.83Å; V426-L606 HydrophobicContact CB-CB 4.46Å; V426-L606 HydrophobicContact CB-CD1 3.73Å; V426-L606 HydrophobicContact CG1-CD1 3.71Å; V426-L606 CarbonylContact O-C 3.57Å; V426-L606 VanDerWaalsContact O-CA 3.31Å; V426-L606 WeakPolarHBondContact O-CA 3.37Å; V426-N607 PolarHBondContact O-N 2.92Å
427	D	92.4	Very high	82.7	Confident	32 Å²	32	39.7 Å²	39.7	17%	0.171	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.8	170.1	-62.3	-72.9	0	0	0	107.1	H371 T372 H425 N607	H371-D427 CarbonylContact C-O 3.58Å; H371-D427 VanDerWaalsContact CA-O 3.3Å; H371-D427 WeakPolarHBondContact CA-O 3.46Å; T372-D427 PolarHBondContact N-O 3.12Å; T372-D427 PolarHBondContact O-N 3.34Å; H425-D427 IonicContact CE1-OD1 3.21Å; H425-D427 PolarHBondContact CE1-OD1 2.96Å; H425-D427 VanDerWaalsContact CE1-OD1 3.25Å; H425-D427 IonicContact CE1-OD2 3.38Å; H425-D427 PolarHBondContact CE1-OD2 2.87Å; H425-D427 IonicContact ND1-OD1 2.58Å; H425-D427 IonicContact ND1-OD2 3.16Å; H425-D427 PolarHBondContact ND1-OD2 3.18Å; D427-N607 WeakPolarHBondContact OD1-CB 3.23Å; D427-N607 PolarHBondContact OD1-ND2 2.97Å
428	L	91.9	Very high	85.2	Confident	46 Å²	46	33.4 Å²	33.4	24%	0.241	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.3	175	-62.7	-177.2	0	0	0	110.2	L366 H371 V426 L606 N607 I608 L609	L366-L428 HydrophobicContact CD2-CD2 4.48Å; H371-L428 HydrophobicContact CB-CD2 4.17Å; V426-L428 HydrophobicContact CG1-CD2 3.93Å; V426-L428 HydrophobicContact CG1-CG 3.99Å; L428-L606 HydrophobicContact CD1-CD1 3.97Å; L428-L606 HydrophobicContact CG-CD1 4.01Å; L428-N607 PolarHBondContact N-O 2.84Å; L428-I608 HydrophobicContact CB-CB 4.47Å; L428-I608 HydrophobicContact CB-CG1 4.35Å; L428-I608 HydrophobicContact CB-CG2 4.12Å; L428-I608 HydrophobicContact CD1-CG1 4.35Å; L428-I608 WeakPolarHBondContact O-CA 3.32Å; L428-L609 PolarHBondContact O-N 2.82Å
429	G	91	Very high	87.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-152	167.8	0	0	0	0	0	112.1	H371 V431	H371-G429 PolarHBondContact CE1-N 3.44Å; H371-G429 VanDerWaalsContact CE1-N 3.32Å; H371-G429 PolarHBondContact ND1-N 2.87Å; G429-V431 PolarHBondContact O-N 3.13Å
430	P	92.2	Very high	88.9	Confident	8.5 Å²	8.5	27.5 Å²	27.5	6%	0.055	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.4	179.5	8	-1.9	0	0	0	111.8	V432 L609 C610 I766	P430-V432 HydrophobicContact CB-CG2 4.47Å; P430-L609 HydrophobicContact CG-CD2 4.09Å; P430-C610 HydrophobicContact CB-CB 4.26Å; P430-I766 HydrophobicContact CB-CB 4.16Å; P430-I766 HydrophobicContact CB-CD1 3.62Å; P430-I766 HydrophobicContact CB-CG1 4.42Å; P430-I766 HydrophobicContact CB-CG2 4.2Å; P430-I766 HydrophobicContact CG-CB 3.99Å; P430-I766 HydrophobicContact CG-CD1 4.18Å; P430-I766 HydrophobicContact CG-CG1 4.44Å; P430-I766 HydrophobicContact CG-CG2 3.73Å
431	V	94.1	Very high	90	Very high	19.5 Å²	19.5	25.6 Å²	25.6	12%	0.118	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.4	169.4	-170.2	0	0	0	0	107.8	L364 L366 G429 I608 C610 I611 A612	L364-V431 HydrophobicContact CD1-CG1 3.77Å; L364-V431 HydrophobicContact CG-CG1 4.17Å; L366-V431 HydrophobicContact CD2-CG2 3.81Å; G429-V431 PolarHBondContact O-N 3.13Å; V431-I608 HydrophobicContact CG2-CG2 3.9Å; V431-C610 PolarHBondContact N-O 3.11Å; V431-I611 HydrophobicContact CB-CG1 4.26Å; V431-I611 HydrophobicContact CB-CG2 4.48Å; V431-I611 HydrophobicContact CG2-CG1 4.34Å; V431-I611 CarbonylContact O-C 3.55Å; V431-I611 WeakPolarHBondContact O-CA 3.22Å; V431-A612 PolarHBondContact O-N 3.15Å
432	V	95.4	Very high	90.7	Very high	0.5 Å²	0.5	25 Å²	25	0%	0.003	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.8	-178.3	-178.7	0	0	0	0	109.9	L364 T365 P430 A612 F723 F724 F727 I766 F789	L364-V432 CarbonylContact C-O 3.58Å; L364-V432 WeakPolarHBondContact CA-O 3.33Å; T365-V432 HydrophobicContact CG2-CB 3.95Å; T365-V432 PolarHBondContact N-O 2.88Å; T365-V432 PolarHBondContact O-N 3.32Å; P430-V432 HydrophobicContact CB-CG2 4.47Å; V432-A612 WeakPolarHBondContact CA-O 3.37Å; V432-A612 HydrophobicContact CG1-CB 4.41Å; V432-A612 HydrophobicContact CG2-CB 4.33Å; V432-F723 HydrophobicContact CG1-CE1 3.83Å; V432-F723 HydrophobicContact CG1-CZ 3.93Å; V432-F724 HydrophobicContact CG1-CE1 4.23Å; V432-F727 HydrophobicContact CB-CE2 4.39Å; V432-F727 HydrophobicContact CB-CZ 4.33Å; V432-F727 HydrophobicContact CG1-CD2 4.4Å; V432-F727 HydrophobicContact CG1-CE2 4.36Å; V432-F727 HydrophobicContact CG2-CE2 3.79Å; V432-F727 HydrophobicContact CG2-CZ 3.9Å; V432-I766 HydrophobicContact CG2-CD1 4.22Å; V432-F789 HydrophobicContact CB-CE1 4.36Å; V432-F789 HydrophobicContact CG1-CD1 4.29Å; V432-F789 HydrophobicContact CG1-CE1 3.61Å; V432-F789 HydrophobicContact CG1-CZ 4.34Å; V432-F789 HydrophobicContact CG2-CE1 3.77Å; V432-F789 HydrophobicContact CG2-CZ 3.74Å
433	A	95.8	Very high	91.1	Very high	15.5 Å²	15.5	24.3 Å²	24.3	13%	0.128	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.2	-176.9	0	0	0	0	0	113.2	L363 L364 A612 F613 V614	L363-A433 CarbonylContact O-C 3.59Å; L363-A433 WeakPolarHBondContact O-CA 3.49Å; L363-A433 WeakPolarHBondContact O-CB 3.29Å; L364-A433 HydrophobicContact CB-CB 4.02Å; L364-A433 HydrophobicContact CD1-CB 4.23Å; L364-A433 HydrophobicContact CG-CB 4.25Å; A433-A612 PolarHBondContact N-O 2.8Å; A433-F613 HydrophobicContact CB-CD2 3.92Å; A433-F613 WeakPolarHBondContact O-CA 3.32Å; A433-V614 PolarHBondContact O-N 2.91Å
434	C	94.9	Very high	91.3	Very high	1.5 Å²	1.5	20.9 Å²	20.9	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	154.3	170.4	70.2	0	0	0	0	112.7	L363 V614 F616 F723 F724	L363-C434 PolarHBondContact O-N 3.12Å; C434-V614 CarbonylContact C-O 3.55Å; C434-V614 WeakPolarHBondContact CA-O 3.39Å; C434-V614 HydrophobicContact CB-CB 3.86Å; C434-V614 HydrophobicContact CB-CG1 4.34Å; C434-V614 VanDerWaalsContact CB-O 3.29Å; C434-V614 WeakPolarHBondContact CB-O 3.32Å; C434-F616 HydrophobicContact CB-CE2 4.08Å; C434-F616 HydrophobicContact CB-CZ 4.46Å; C434-F723 HydrophobicContact CB-CD1 4.05Å; C434-F723 HydrophobicContact CB-CE1 4.13Å; C434-F724 WeakPolarHBondContact SG-CE2 3.36Å
435	A	93.8	Very high	91.1	Very high	6 Å²	6	18.6 Å²	18.6	5%	0.05	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	150.8	-177.2	0	0	0	0	0	113.5	Q439 F440 F613 V614 A615 F616	A435-Q439 HydrophobicContact CB-CB 4.48Å; A435-F440 HydrophobicContact CB-CD2 4.47Å; A435-F440 HydrophobicContact CB-CE2 4Å; A435-F440 HydrophobicContact CB-CZ 4.07Å; A435-F613 HydrophobicContact CB-CE2 4.17Å; A435-F613 HydrophobicContact CB-CZ 4.16Å; A435-V614 PolarHBondContact N-O 2.86Å; A435-A615 WeakPolarHBondContact O-CA 3.34Å; A435-F616 WeakPolarHBondContact O-CD2 3.43Å; A435-F616 PolarHBondContact O-N 2.85Å
436	Y	91.5	Very high	91	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.			trans	-93.2	160.3	167.5	-79.6	-61.7	0	0	0	112.7	S438 Q439 F440 F616 E618 E620 L717 G719 P720 R796	Y436-S438 PolarHBondContact O-N 2.79Å; Y436-Q439 WeakPolarHBondContact O-CB 3.4Å; Y436-Q439 PolarHBondContact O-N 2.98Å; Y436-F440 VanDerWaalsContact O-CD2 3.23Å; Y436-F440 WeakPolarHBondContact O-CD2 3.16Å; Y436-F440 PolarHBondContact O-N 3.49Å; Y436-F616 HydrophobicContact CD1-CB 3.6Å; Y436-F616 AromaticContact CD1-CD2 3.91Å; Y436-F616 HydrophobicContact CD1-CD2 3.91Å; Y436-F616 AromaticContact CD1-CG 3.98Å; Y436-F616 HydrophobicContact CD1-CG 4.09Å; Y436-F616 HydrophobicContact CE1-CB 3.79Å; Y436-F616 AromaticContact CE1-CD2 3.9Å; Y436-F616 HydrophobicContact CE1-CD2 3.9Å; Y436-F616 AromaticContact CE1-CG 3.95Å; Y436-F616 HydrophobicContact CE1-CG 3.99Å; Y436-F616 HydrophobicContact CG-CD2 4.32Å; Y436-E618 VanDerWaalsContact CD1-O 3.25Å; Y436-E618 WeakPolarHBondContact CD1-O 3.06Å; Y436-E618 VanDerWaalsContact CE1-O 3.24Å; Y436-E618 WeakPolarHBondContact CE1-O 3.4Å; Y436-E620 WeakPolarHBondContact OH-CB 3.42Å; Y436-E620 PolarHBondContact OH-OE1 3.22Å; Y436-L717 HydrophobicContact CD2-CB 4.29Å; Y436-L717 HydrophobicContact CD2-CD1 4.13Å; Y436-L717 HydrophobicContact CD2-CD2 4.05Å; Y436-L717 HydrophobicContact CD2-CG 4.45Å; Y436-L717 HydrophobicContact CE2-CB 4.04Å; Y436-L717 HydrophobicContact CE2-CD1 4.21Å; Y436-L717 HydrophobicContact CE2-CD2 4.03Å; Y436-G719 WeakPolarHBondContact OH-CA 3.27Å; Y436-G719 PolarHBondContact OH-N 2.87Å; Y436-P720 HydrophobicContact CD2-CG 4.15Å; Y436-P720 HydrophobicContact CE2-CG 4.03Å; Y436-R796 VanDerWaalsContact OH-CZ 3.29Å; Y436-R796 PolarHBondContact OH-NH1 2.86Å; Y436-R796 PolarHBondContact OH-NH2 2.8Å; Y436-R796 VanDerWaalsContact OH-NH2 3.17Å
437	P	88.6	Confident	90.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-49.9	-50.1	177.5	-27.2	34.4	0	0	0	114.4	Q439 F440 Y441 F616 Y617 D619 R958 I959 A962	P437-Q439 VanDerWaalsContact C-N 3.26Å; P437-Q439 PolarHBondContact O-N 3.13Å; P437-F440 WeakPolarHBondContact O-CB 3.16Å; P437-F440 PolarHBondContact O-N 3.17Å; P437-F440 VanDerWaalsContact O-N 3.16Å; P437-Y441 PolarHBondContact O-N 3.41Å; P437-F616 WeakPolarHBondContact CD-O 3.32Å; P437-F616 WeakPolarHBondContact CG-O 3.42Å; P437-Y617 WeakPolarHBondContact CG-O 3.33Å; P437-D619 WeakPolarHBondContact CB-OD2 3.46Å; P437-D619 WeakPolarHBondContact CD-OD1 3.3Å; P437-D619 WeakPolarHBondContact CG-OD2 3.43Å; P437-R958 HydrophobicContact CB-CB 3.72Å; P437-R958 HydrophobicContact CG-CB 3.84Å; P437-I959 HydrophobicContact CB-CG1 4.36Å; P437-I959 HydrophobicContact CG-CG1 4.05Å; P437-A962 HydrophobicContact CB-CB 4.37Å; P437-A962 WeakPolarHBondContact O-CB 3.33Å
438	S	86.3	Confident	90.5	Very high	13.5 Å²	13.5	17.7 Å²	17.7	9%	0.094	9%	0.094	C	C	.	.	H	α-helix	trans	-59.7	-31.5	177.3	53	0	0	0	0	113.7	Y436 F440 Y441 W442 D619	Y436-S438 PolarHBondContact O-N 2.79Å; S438-F440 VanDerWaalsContact C-N 3.31Å; S438-F440 PolarHBondContact O-N 3.16Å; S438-Y441 WeakPolarHBondContact O-CB 3.43Å; S438-Y441 PolarHBondContact O-N 3.33Å; S438-Y441 VanDerWaalsContact O-N 3.15Å; S438-W442 PolarHBondContact O-N 2.95Å; S438-W442 VanDerWaalsContact O-N 3.09Å; S438-D619 WeakPolarHBondContact CB-OD1 3.39Å; S438-D619 PolarHBondContact N-OD1 3.44Å; S438-D619 PolarHBondContact OG-OD1 3.16Å
439	Q	90.1	Very high	90.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-70	-34.4	179	-60.1	-175.7	-76.5	0	0	111.7	W316 A435 Y436 P437 Y441 W442 L443 L717	W316-Q439 HydrophobicContact CE3-CG 4.14Å; W316-Q439 HydrophobicContact CH2-CG 4.13Å; W316-Q439 HydrophobicContact CZ3-CG 3.75Å; A435-Q439 HydrophobicContact CB-CB 4.48Å; Y436-Q439 WeakPolarHBondContact O-CB 3.4Å; Y436-Q439 PolarHBondContact O-N 2.98Å; P437-Q439 VanDerWaalsContact C-N 3.26Å; P437-Q439 PolarHBondContact O-N 3.13Å; Q439-Y441 VanDerWaalsContact C-N 3.29Å; Q439-Y441 PolarHBondContact O-N 2.76Å; Q439-W442 PolarHBondContact O-N 3.34Å; Q439-L443 HydrophobicContact CB-CD1 4.36Å; Q439-L443 VanDerWaalsContact O-CB 3.23Å; Q439-L443 WeakPolarHBondContact O-CB 3.38Å; Q439-L443 WeakPolarHBondContact O-CD1 3.4Å; Q439-L443 WeakPolarHBondContact O-CG 3.34Å; Q439-L443 PolarHBondContact O-N 2.79Å; Q439-L717 HydrophobicContact CG-CD1 4.48Å
440	F	89.1	Confident	89.9	Confident	34 Å²	34	18.8 Å²	18.8	15%	0.149	10%	0.099	C	C	.	.	H	α-helix	trans	-59.8	-42.2	171.6	-66.1	-86.7	0	0	0	111.2	A435 Y436 P437 S438 H444 F613 A615 I959 W963	A435-F440 HydrophobicContact CB-CD2 4.47Å; A435-F440 HydrophobicContact CB-CE2 4Å; A435-F440 HydrophobicContact CB-CZ 4.07Å; Y436-F440 VanDerWaalsContact O-CD2 3.23Å; Y436-F440 WeakPolarHBondContact O-CD2 3.16Å; Y436-F440 PolarHBondContact O-N 3.49Å; P437-F440 WeakPolarHBondContact O-CB 3.16Å; P437-F440 PolarHBondContact O-N 3.17Å; P437-F440 VanDerWaalsContact O-N 3.16Å; S438-F440 VanDerWaalsContact C-N 3.31Å; S438-F440 PolarHBondContact O-N 3.16Å; F440-H444 WeakPolarHBondContact O-CB 3.35Å; F440-H444 PolarHBondContact O-N 3.11Å; F440-F613 HydrophobicContact CE1-CE1 4.2Å; F440-F613 AromaticContact CE1-CZ 3.81Å; F440-F613 HydrophobicContact CE1-CZ 3.81Å; F440-F613 AromaticContact CZ-CE1 3.97Å; F440-F613 HydrophobicContact CZ-CE1 3.99Å; F440-F613 AromaticContact CZ-CZ 3.61Å; F440-F613 HydrophobicContact CZ-CZ 3.61Å; F440-A615 HydrophobicContact CE2-CB 4.24Å; F440-A615 HydrophobicContact CZ-CB 3.88Å; F440-I959 HydrophobicContact CD2-CG2 4.17Å; F440-I959 HydrophobicContact CE2-CG1 4.41Å; F440-I959 HydrophobicContact CE2-CG2 4.04Å; F440-I959 HydrophobicContact CG-CG2 4.37Å; F440-I959 HydrophobicContact CZ-CG2 4.34Å; F440-W963 HydrophobicContact CD1-CE3 4.4Å; F440-W963 HydrophobicContact CD1-CZ3 4.46Å
441	Y	88.2	Confident	89.6	Confident	29.5 Å²	29.5	22.9 Å²	22.9	12%	0.116	12%	0.12	C	C	.	.	H	α-helix	trans	-61.9	-54.8	177.4	175.8	-94.8	0	0	0	111.8	P437 S438 Q439 L443 H444 M445 A965 A966	P437-Y441 PolarHBondContact O-N 3.41Å; S438-Y441 WeakPolarHBondContact O-CB 3.43Å; S438-Y441 PolarHBondContact O-N 3.33Å; S438-Y441 VanDerWaalsContact O-N 3.15Å; Q439-Y441 VanDerWaalsContact C-N 3.29Å; Q439-Y441 PolarHBondContact O-N 2.76Å; Y441-L443 PolarHBondContact O-N 2.91Å; Y441-H444 PolarHBondContact O-N 3.29Å; Y441-M445 HydrophobicContact CE1-CG 4.23Å; Y441-M445 HydrophobicContact CE2-CG 4.21Å; Y441-M445 WeakPolarHBondContact O-CB 3.29Å; Y441-M445 WeakPolarHBondContact O-CG 3.34Å; Y441-M445 PolarHBondContact O-N 2.77Å; Y441-A965 HydrophobicContact CD2-CB 4.07Å; Y441-A965 HydrophobicContact CE2-CB 3.89Å; Y441-A966 HydrophobicContact CD2-CB 3.72Å; Y441-A966 HydrophobicContact CE2-CB 4.3Å; Y441-A966 HydrophobicContact CG-CB 4.28Å
442	W	88.6	Confident	88.9	Confident	20 Å²	20	24 Å²	24	8%	0.076	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-37.9	-176.1	-66.1	120.8	0	0	0	113.4	L219 L221 I224 R226 W316 L318 S438 Q439 M445 M446	L219-W442 HydrophobicContact CD1-CE3 3.48Å; L219-W442 VanDerWaalsContact CD1-CE3 3.48Å; L219-W442 HydrophobicContact CD1-CZ3 3.74Å; L221-W442 HydrophobicContact CD1-CH2 4.37Å; L221-W442 HydrophobicContact CD1-CZ3 3.8Å; I224-W442 HydrophobicContact CG2-CH2 4.19Å; R226-W442 HydrophobicContact CB-CZ3 4.43Å; R226-W442 HydrophobicContact CG-CH2 4.17Å; R226-W442 HydrophobicContact CG-CZ3 4.44Å; W316-W442 HydrophobicContact CH2-CB 4.49Å; W316-W442 HydrophobicContact CZ2-CB 3.58Å; W316-W442 AromaticContact CZ2-CD1 3.93Å; W316-W442 AromaticContact CZ2-CG 3.96Å; W316-W442 HydrophobicContact CZ2-CG 3.96Å; L318-W442 HydrophobicContact CD1-CD2 3.95Å; L318-W442 HydrophobicContact CD1-CE3 4.09Å; L318-W442 HydrophobicContact CD1-CG 4.16Å; L318-W442 HydrophobicContact CD2-CD2 4.09Å; L318-W442 HydrophobicContact CD2-CG 4.23Å; L318-W442 HydrophobicContact CD2-CZ2 4.27Å; S438-W442 PolarHBondContact O-N 2.95Å; S438-W442 VanDerWaalsContact O-N 3.09Å; Q439-W442 PolarHBondContact O-N 3.34Å; W442-M445 PolarHBondContact O-N 2.93Å; W442-M446 WeakPolarHBondContact O-CB 3.37Å; W442-M446 PolarHBondContact O-N 3.02Å
443	L	90.5	Very high	88.3	Confident	31 Å²	31	26.1 Å²	26.1	16%	0.162	14%	0.135	C	C	.	.	H	α-helix	trans	-70	-41.3	176.7	-67.6	168.6	0	0	0	111.9	L230 W316 L363 Q439 Y441 M445 M446 I447	L230-L443 HydrophobicContact CD2-CD2 3.9Å; W316-L443 HydrophobicContact CB-CD2 4.49Å; W316-L443 VanDerWaalsContact CD1-CD2 3.45Å; W316-L443 HydrophobicContact CG-CD2 3.98Å; L363-L443 HydrophobicContact CD1-CD1 3.72Å; L363-L443 HydrophobicContact CD1-CD2 4.01Å; L363-L443 HydrophobicContact CD2-CD1 4.07Å; Q439-L443 HydrophobicContact CB-CD1 4.36Å; Q439-L443 VanDerWaalsContact O-CB 3.23Å; Q439-L443 WeakPolarHBondContact O-CB 3.38Å; Q439-L443 WeakPolarHBondContact O-CD1 3.4Å; Q439-L443 WeakPolarHBondContact O-CG 3.34Å; Q439-L443 PolarHBondContact O-N 2.79Å; Y441-L443 PolarHBondContact O-N 2.91Å; L443-M445 VanDerWaalsContact C-N 3.3Å; L443-M445 PolarHBondContact O-N 3.46Å; L443-M446 PolarHBondContact O-N 3.44Å; L443-I447 WeakPolarHBondContact O-CB 3.45Å; L443-I447 WeakPolarHBondContact O-CD1 3.43Å; L443-I447 VanDerWaalsContact O-CG1 3.25Å; L443-I447 WeakPolarHBondContact O-CG1 3.41Å; L443-I447 PolarHBondContact O-N 3.11Å
444	H	88.9	Confident	87.6	Confident	46 Å²	46	31 Å²	31	21%	0.213	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-37.7	175.7	-174	-78.1	0	0	0	111.4	F440 Y441 I447 G448 W963 A966	F440-H444 WeakPolarHBondContact O-CB 3.35Å; F440-H444 PolarHBondContact O-N 3.11Å; Y441-H444 PolarHBondContact O-N 3.29Å; H444-I447 PolarHBondContact O-N 2.9Å; H444-G448 PolarHBondContact O-N 2.97Å; H444-W963 AromaticContact CD2-CE2 3.85Å; H444-W963 AromaticContact CD2-CH2 3.99Å; H444-W963 AromaticContact CD2-CZ2 3.68Å; H444-A966 HydrophobicContact CB-CB 3.77Å; H444-A966 PolarHBondContact CE1-O 3.08Å; H444-A966 WeakPolarHBondContact ND1-CB 3.32Å; H444-A966 PolarHBondContact ND1-O 3.13Å; H444-A966 VanDerWaalsContact ND1-O 3.13Å
445	M	85.6	Confident	86.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-46.4	172.1	-121.6	2.6	-105.5	0	0	112.3	L219 L221 Y441 W442 L443 I447 G448 Q449 A969 V970 L973	L219-M445 HydrophobicContact CD2-CB 4.43Å; L219-M445 HydrophobicContact CD2-CG 4.23Å; L221-M445 HydrophobicContact CD1-CG 4.47Å; L221-M445 HydrophobicContact CD2-CE 3.8Å; L221-M445 HydrophobicContact CD2-SD 4.25Å; L221-M445 HydrophobicContact CG-CE 4.26Å; Y441-M445 HydrophobicContact CE1-CG 4.23Å; Y441-M445 HydrophobicContact CE2-CG 4.21Å; Y441-M445 WeakPolarHBondContact O-CB 3.29Å; Y441-M445 WeakPolarHBondContact O-CG 3.34Å; Y441-M445 PolarHBondContact O-N 2.77Å; W442-M445 PolarHBondContact O-N 2.93Å; L443-M445 VanDerWaalsContact C-N 3.3Å; L443-M445 PolarHBondContact O-N 3.46Å; M445-I447 PolarHBondContact O-N 3.08Å; M445-G448 PolarHBondContact O-N 3.17Å; M445-Q449 WeakPolarHBondContact O-CB 3.46Å; M445-Q449 WeakPolarHBondContact O-CG 3.49Å; M445-Q449 PolarHBondContact O-N 3.38Å; M445-A969 HydrophobicContact CE-CB 4.33Å; M445-A969 HydrophobicContact SD-CB 3.54Å; M445-A969 WeakPolarHBondContact SD-CB 3.35Å; M445-V970 HydrophobicContact SD-CG2 3.83Å; M445-L973 HydrophobicContact CE-CD1 3.95Å; M445-L973 HydrophobicContact CE-CD2 3.69Å; M445-L973 HydrophobicContact CE-CG 3.84Å
446	M	89	Confident	85.9	Confident	0.5 Å²	0.5	38 Å²	38	0%	0.002	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-44.8	176.3	-179.2	176.9	179.8	0	0	111.9	I215 C217 L219 S228 L230 W442 L443 Q449 L450	I215-M446 WeakPolarHBondContact O-CE 3.47Å; C217-M446 HydrophobicContact CB-CE 4.04Å; C217-M446 HydrophobicContact CB-CG 3.98Å; L219-M446 HydrophobicContact CD2-CB 4.02Å; S228-M446 PolarHBondContact OG-SD 2.96Å; L230-M446 HydrophobicContact CB-CE 4.2Å; L230-M446 HydrophobicContact CD1-CE 4.01Å; L230-M446 HydrophobicContact CD1-SD 3.99Å; L230-M446 HydrophobicContact CG-CE 3.92Å; L230-M446 HydrophobicContact CG-SD 3.91Å; W442-M446 WeakPolarHBondContact O-CB 3.37Å; W442-M446 PolarHBondContact O-N 3.02Å; L443-M446 PolarHBondContact O-N 3.44Å; M446-Q449 PolarHBondContact O-N 3.15Å; M446-L450 HydrophobicContact CE-CD1 4.18Å; M446-L450 HydrophobicContact CG-CD1 4.08Å; M446-L450 WeakPolarHBondContact O-CB 3.28Å; M446-L450 VanDerWaalsContact O-CG 3.28Å; M446-L450 WeakPolarHBondContact O-CG 3.29Å; M446-L450 PolarHBondContact O-N 3.41Å
447	I	89.2	Confident	85.2	Confident	91.5 Å²	91.5	41 Å²	41	47%	0.469	20%	0.199	S	C	.	.	H	α-helix	trans	-65.7	-43.8	178	-68.9	164.3	0	0	0	110.7	L443 H444 M445 Q449 L450 L451	L443-I447 WeakPolarHBondContact O-CB 3.45Å; L443-I447 WeakPolarHBondContact O-CD1 3.43Å; L443-I447 VanDerWaalsContact O-CG1 3.25Å; L443-I447 WeakPolarHBondContact O-CG1 3.41Å; L443-I447 PolarHBondContact O-N 3.11Å; H444-I447 PolarHBondContact O-N 2.9Å; M445-I447 PolarHBondContact O-N 3.08Å; I447-Q449 VanDerWaalsContact C-N 3.32Å; I447-Q449 PolarHBondContact O-N 3.08Å; I447-L450 PolarHBondContact O-N 2.87Å; I447-L451 HydrophobicContact CG2-CD1 3.96Å; I447-L451 HydrophobicContact CG2-CG 4.41Å; I447-L451 WeakPolarHBondContact O-CB 3.29Å; I447-L451 VanDerWaalsContact O-CG 3.31Å; I447-L451 WeakPolarHBondContact O-CG 3.34Å; I447-L451 PolarHBondContact O-N 3.29Å
448	G	85.3	Confident	84.6	Confident	7.5 Å²	7.5	43.1 Å²	43.1	8%	0.077	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-39.5	176.6	0	0	0	0	0	113.3	H444 M445 L451 H452	H444-G448 PolarHBondContact O-N 2.97Å; M445-G448 PolarHBondContact O-N 3.17Å; G448-L451 PolarHBondContact O-N 2.91Å; G448-H452 PolarHBondContact O-N 2.99Å
449	Q	84.2	Confident	84	Confident	10.5 Å²	10.5	47.6 Å²	47.6	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-69.9	-38.4	175.1	-124.6	118.5	30.4	0	0	112.7	M445 M446 I447 L451 H452 I453 L973	M445-Q449 WeakPolarHBondContact O-CB 3.46Å; M445-Q449 WeakPolarHBondContact O-CG 3.49Å; M445-Q449 PolarHBondContact O-N 3.38Å; M446-Q449 PolarHBondContact O-N 3.15Å; I447-Q449 VanDerWaalsContact C-N 3.32Å; I447-Q449 PolarHBondContact O-N 3.08Å; Q449-L451 VanDerWaalsContact C-N 3.3Å; Q449-L451 PolarHBondContact O-N 3.18Å; Q449-H452 PolarHBondContact O-N 3.29Å; Q449-I453 HydrophobicContact CG-CD1 4.19Å; Q449-I453 WeakPolarHBondContact O-CD1 3.33Å; Q449-I453 VanDerWaalsContact O-CG1 3.27Å; Q449-I453 WeakPolarHBondContact O-CG1 3.47Å; Q449-I453 PolarHBondContact O-N 3.42Å; Q449-I453 VanDerWaalsContact O-N 3.11Å; Q449-L973 HydrophobicContact CB-CD1 4.2Å; Q449-L973 HydrophobicContact CG-CD1 3.49Å; Q449-L973 VanDerWaalsContact CG-CD1 3.49Å
450	L	86.6	Confident	83.1	Confident	59 Å²	59	51.2 Å²	51.2	31%	0.309	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-36	174	-72.7	170.3	0	0	0	112.2	A91 C217 M446 I447 Y454	A91-L450 HydrophobicContact CB-CD2 3.53Å; C217-L450 HydrophobicContact CB-CD2 4.34Å; C217-L450 HydrophobicContact CB-CG 4.45Å; M446-L450 HydrophobicContact CE-CD1 4.18Å; M446-L450 HydrophobicContact CG-CD1 4.08Å; M446-L450 WeakPolarHBondContact O-CB 3.28Å; M446-L450 VanDerWaalsContact O-CG 3.28Å; M446-L450 WeakPolarHBondContact O-CG 3.29Å; M446-L450 PolarHBondContact O-N 3.41Å; I447-L450 PolarHBondContact O-N 2.87Å; L450-Y454 WeakPolarHBondContact O-CB 3.28Å; L450-Y454 PolarHBondContact O-N 3.11Å
451	L	85.4	Confident	82.1	Confident	94.5 Å²	94.5	51.7 Å²	51.7	50%	0.495	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-45.7	172.5	-73.4	169.4	0	0	0	111.5	I447 G448 Q449 I453 Y454 D455	I447-L451 HydrophobicContact CG2-CD1 3.96Å; I447-L451 HydrophobicContact CG2-CG 4.41Å; I447-L451 WeakPolarHBondContact O-CB 3.29Å; I447-L451 VanDerWaalsContact O-CG 3.31Å; I447-L451 WeakPolarHBondContact O-CG 3.34Å; I447-L451 PolarHBondContact O-N 3.29Å; G448-L451 PolarHBondContact O-N 2.91Å; Q449-L451 VanDerWaalsContact C-N 3.3Å; Q449-L451 PolarHBondContact O-N 3.18Å; L451-I453 VanDerWaalsContact C-N 3.34Å; L451-I453 PolarHBondContact O-N 3.17Å; L451-Y454 CarbonylContact O-C 3.51Å; L451-Y454 WeakPolarHBondContact O-CA 3.41Å; L451-Y454 WeakPolarHBondContact O-CB 3.39Å; L451-Y454 PolarHBondContact O-N 3.24Å; L451-Y454 VanDerWaalsContact O-N 3.11Å; L451-D455 PolarHBondContact O-N 3Å
452	H	80.2	Confident	81.3	Confident	41.5 Å²	41.5	56 Å²	56	19%	0.192	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-46.5	174.7	-170.1	-59.3	0	0	0	111.9	G448 Q449 Y454 D455 D456 L973	G448-H452 PolarHBondContact O-N 2.99Å; Q449-H452 PolarHBondContact O-N 3.29Å; H452-Y454 VanDerWaalsContact C-N 3.25Å; H452-Y454 PolarHBondContact O-N 3.4Å; H452-D455 PolarHBondContact O-N 3.36Å; H452-D456 IonicContact CE1-OD1 3.4Å; H452-D456 PolarHBondContact CE1-OD1 3.14Å; H452-D456 IonicContact CE1-OD2 3.46Å; H452-D456 PolarHBondContact CE1-OD2 3.13Å; H452-D456 IonicContact ND1-OD1 3.63Å; H452-D456 IonicContact ND1-OD2 2.95Å; H452-D456 PolarHBondContact ND1-OD2 3.02Å; H452-D456 WeakPolarHBondContact O-CB 3.37Å; H452-D456 VanDerWaalsContact O-CG 3.29Å; H452-D456 PolarHBondContact O-N 2.89Å; H452-L973 PolarHBondContact CD2-O 2.9Å; H452-L973 VanDerWaalsContact CD2-O 3.23Å; H452-L973 PolarHBondContact NE2-O 3.03Å
453	I	81.9	Confident	80.5	Confident	45 Å²	45	60 Å²	60	23%	0.231	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-33.2	177.8	-69.6	165.2	0	0	0	111.6	P61 A91 I92 Q449 L451 Y457	P61-I453 HydrophobicContact CB-CG2 3.57Å; P61-I453 HydrophobicContact CG-CG2 3.45Å; P61-I453 VanDerWaalsContact CG-CG2 3.45Å; A91-I453 HydrophobicContact CB-CD1 4.08Å; I92-I453 WeakPolarHBondContact O-CG2 3.26Å; Q449-I453 HydrophobicContact CG-CD1 4.19Å; Q449-I453 WeakPolarHBondContact O-CD1 3.33Å; Q449-I453 VanDerWaalsContact O-CG1 3.27Å; Q449-I453 WeakPolarHBondContact O-CG1 3.47Å; Q449-I453 PolarHBondContact O-N 3.42Å; Q449-I453 VanDerWaalsContact O-N 3.11Å; L451-I453 VanDerWaalsContact C-N 3.34Å; L451-I453 PolarHBondContact O-N 3.17Å; I453-Y457 WeakPolarHBondContact O-CB 3.29Å; I453-Y457 PolarHBondContact O-N 2.98Å; I453-Y457 VanDerWaalsContact O-N 3.12Å
454	Y	80.8	Confident	79.5	Confident	119.5 Å²	119.5	62.5 Å²	62.5	47%	0.469	30%	0.304	S	S	.	.	H	α-helix	trans	-74.1	-39.5	175.9	-179.7	-104	0	0	0	112.7	L450 L451 H452 Y457 I458 L562	L450-Y454 WeakPolarHBondContact O-CB 3.28Å; L450-Y454 PolarHBondContact O-N 3.11Å; L451-Y454 CarbonylContact O-C 3.51Å; L451-Y454 WeakPolarHBondContact O-CA 3.41Å; L451-Y454 WeakPolarHBondContact O-CB 3.39Å; L451-Y454 PolarHBondContact O-N 3.24Å; L451-Y454 VanDerWaalsContact O-N 3.11Å; H452-Y454 VanDerWaalsContact C-N 3.25Å; H452-Y454 PolarHBondContact O-N 3.4Å; Y454-Y457 WeakPolarHBondContact O-CB 3.42Å; Y454-Y457 PolarHBondContact O-N 3.19Å; Y454-I458 HydrophobicContact CD1-CD1 3.98Å; Y454-I458 HydrophobicContact CE1-CD1 3.37Å; Y454-I458 HydrophobicContact CE1-CG1 4.27Å; Y454-I458 HydrophobicContact CE2-CD1 4.44Å; Y454-I458 WeakPolarHBondContact O-CG1 3.41Å; Y454-I458 PolarHBondContact O-N 3.4Å; Y454-L562 HydrophobicContact CE2-CD2 4.28Å
455	D	77.6	Confident	78.3	Confident	91 Å²	91	63.7 Å²	63.7	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-68.1	-41.8	175.5	-72.6	-30.7	0	0	0	111.5	L451 H452 Y457 I458 E459	L451-D455 PolarHBondContact O-N 3Å; H452-D455 PolarHBondContact O-N 3.36Å; D455-Y457 VanDerWaalsContact C-N 3.3Å; D455-Y457 PolarHBondContact O-N 3.11Å; D455-I458 PolarHBondContact O-N 3.28Å; D455-E459 PolarHBondContact O-N 3.09Å
456	D	76.1	Confident	77.4	Confident	62.5 Å²	62.5	69.9 Å²	69.9	33%	0.334	35%	0.346	S	S	.	.	H	α-helix	trans	-54.6	-46.1	169.4	-75.4	-39.2	0	0	0	111.1	H452 E459 H460	H452-D456 IonicContact CE1-OD1 3.4Å; H452-D456 PolarHBondContact CE1-OD1 3.14Å; H452-D456 IonicContact CE1-OD2 3.46Å; H452-D456 PolarHBondContact CE1-OD2 3.13Å; H452-D456 IonicContact ND1-OD1 3.63Å; H452-D456 IonicContact ND1-OD2 2.95Å; H452-D456 PolarHBondContact ND1-OD2 3.02Å; H452-D456 WeakPolarHBondContact O-CB 3.37Å; H452-D456 VanDerWaalsContact O-CG 3.29Å; H452-D456 PolarHBondContact O-N 2.89Å; D456-E459 PolarHBondContact O-N 2.82Å; D456-H460 VanDerWaalsContact O-CB 3.29Å; D456-H460 WeakPolarHBondContact O-CB 3.32Å; D456-H460 PolarHBondContact O-N 3.18Å
457	Y	77.3	Confident	76.2	Confident	63 Å²	63	75.9 Å²	75.9	25%	0.247	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-40.7	177.5	170.2	-100.7	0	0	0	112.3	G59 I60 P61 I453 Y454 D455 H460 S461 L553 F558 L562	G59-Y457 WeakPolarHBondContact O-CD2 3.25Å; G59-Y457 VanDerWaalsContact O-CE2 3.26Å; G59-Y457 WeakPolarHBondContact O-CE2 3.18Å; I60-Y457 HydrophobicContact CG1-CE2 4.49Å; P61-Y457 HydrophobicContact CG-CG 4.42Å; I453-Y457 WeakPolarHBondContact O-CB 3.29Å; I453-Y457 PolarHBondContact O-N 2.98Å; I453-Y457 VanDerWaalsContact O-N 3.12Å; Y454-Y457 WeakPolarHBondContact O-CB 3.42Å; Y454-Y457 PolarHBondContact O-N 3.19Å; D455-Y457 VanDerWaalsContact C-N 3.3Å; D455-Y457 PolarHBondContact O-N 3.11Å; Y457-H460 PolarHBondContact O-N 3.41Å; Y457-S461 VanDerWaalsContact O-CB 3.3Å; Y457-S461 WeakPolarHBondContact O-CB 3.45Å; Y457-S461 PolarHBondContact O-N 2.9Å; Y457-S461 PolarHBondContact O-OG 3.1Å; Y457-L553 HydrophobicContact CE2-CD2 4.28Å; Y457-F558 HydrophobicContact CD2-CE1 4.34Å; Y457-F558 AromaticContact CE2-CE1 3.98Å; Y457-F558 HydrophobicContact CE2-CE1 3.98Å; Y457-L562 HydrophobicContact CE1-CB 4.46Å; Y457-L562 HydrophobicContact CE1-CD1 4.04Å
458	I	75.6	Confident	74.8	Confident	45.5 Å²	45.5	73.5 Å²	73.5	23%	0.233	37%	0.368	C	S	.	.	H	α-helix	trans	-63.4	-44.7	173.8	-77.4	-179.3	0	0	0	110.9	Y454 D455 H460 S461 K462	Y454-I458 HydrophobicContact CD1-CD1 3.98Å; Y454-I458 HydrophobicContact CE1-CD1 3.37Å; Y454-I458 HydrophobicContact CE1-CG1 4.27Å; Y454-I458 HydrophobicContact CE2-CD1 4.44Å; Y454-I458 WeakPolarHBondContact O-CG1 3.41Å; Y454-I458 PolarHBondContact O-N 3.4Å; D455-I458 PolarHBondContact O-N 3.28Å; I458-H460 PolarHBondContact O-N 3.16Å; I458-S461 WeakPolarHBondContact CA-OG 3.44Å; I458-S461 PolarHBondContact O-N 2.82Å; I458-S461 PolarHBondContact O-OG 3.04Å; I458-K462 HydrophobicContact CG2-CD 4.14Å; I458-K462 WeakPolarHBondContact O-CB 3.48Å; I458-K462 WeakPolarHBondContact O-CD 3.39Å; I458-K462 VanDerWaalsContact O-CG 3.23Å; I458-K462 WeakPolarHBondContact O-CG 3.3Å; I458-K462 PolarHBondContact O-N 3.04Å; I458-K462 VanDerWaalsContact O-N 3.14Å
459	E	74	Confident	73.8	Confident	107 Å²	107	77.7 Å²	77.7	50%	0.5	38%	0.384	S	S	.	.	H	α-helix	trans	-66.6	-39.2	179	-157.1	-171	132.2	0	0	111.6	D455 D456 S461 K462 K463	D455-E459 PolarHBondContact O-N 3.09Å; D456-E459 PolarHBondContact O-N 2.82Å; E459-S461 PolarHBondContact O-N 3.4Å; E459-K462 PolarHBondContact O-N 3.39Å; E459-K463 WeakPolarHBondContact O-CD 3.46Å; E459-K463 VanDerWaalsContact O-CG 3.29Å; E459-K463 WeakPolarHBondContact O-CG 3.39Å; E459-K463 PolarHBondContact O-N 3.11Å; E459-K463 WeakPolarHBondContact OE1-CE 3.36Å; E459-K463 IonicContact OE1-NZ 3.89Å; E459-K463 PolarHBondContact OE1-NZ 2.94Å
460	H	71.4	Confident	72.7	Confident	76.5 Å²	76.5	82.6 Å²	82.6	35%	0.354	41%	0.41	S	S	.	.	H	α-helix	trans	-67.5	-41.7	175.9	-168.9	-112.4	0	0	0	112.5	D456 Y457 I458 K462 K463 I464	D456-H460 VanDerWaalsContact O-CB 3.29Å; D456-H460 WeakPolarHBondContact O-CB 3.32Å; D456-H460 PolarHBondContact O-N 3.18Å; Y457-H460 PolarHBondContact O-N 3.41Å; I458-H460 PolarHBondContact O-N 3.16Å; H460-K462 VanDerWaalsContact C-N 3.34Å; H460-K462 PolarHBondContact O-N 3.09Å; H460-K463 PolarHBondContact O-N 3.1Å; H460-I464 WeakPolarHBondContact O-CG1 3.38Å; H460-I464 PolarHBondContact O-N 3.13Å
461	S	67.5	Low	71.2	Confident	45 Å²	45	85.5 Å²	85.5	32%	0.315	42%	0.422	S	S	.	.	H	α-helix	trans	-64.6	-36.5	176.7	67	0	0	0	0	112.6	Y457 I458 E459 I464 S465	Y457-S461 VanDerWaalsContact O-CB 3.3Å; Y457-S461 WeakPolarHBondContact O-CB 3.45Å; Y457-S461 PolarHBondContact O-N 2.9Å; Y457-S461 PolarHBondContact O-OG 3.1Å; I458-S461 WeakPolarHBondContact CA-OG 3.44Å; I458-S461 PolarHBondContact O-N 2.82Å; I458-S461 PolarHBondContact O-OG 3.04Å; E459-S461 PolarHBondContact O-N 3.4Å; S461-I464 PolarHBondContact O-N 2.87Å; S461-S465 PolarHBondContact O-N 2.96Å; S461-S465 PolarHBondContact O-OG 2.88Å
462	K	72.2	Confident	70	Confident	118 Å²	118	85.7 Å²	85.7	51%	0.513	42%	0.424	S	S	.	.	H	α-helix	trans	-62	-49.4	171.3	-73.6	168	-179.7	168.9	0	111.5	I458 E459 H460 I464 S465 E466	I458-K462 HydrophobicContact CG2-CD 4.14Å; I458-K462 WeakPolarHBondContact O-CB 3.48Å; I458-K462 WeakPolarHBondContact O-CD 3.39Å; I458-K462 VanDerWaalsContact O-CG 3.23Å; I458-K462 WeakPolarHBondContact O-CG 3.3Å; I458-K462 PolarHBondContact O-N 3.04Å; I458-K462 VanDerWaalsContact O-N 3.14Å; E459-K462 PolarHBondContact O-N 3.39Å; H460-K462 VanDerWaalsContact C-N 3.34Å; H460-K462 PolarHBondContact O-N 3.09Å; K462-I464 VanDerWaalsContact C-N 3.31Å; K462-I464 PolarHBondContact O-N 2.93Å; K462-S465 WeakPolarHBondContact O-CA 3.26Å; K462-S465 PolarHBondContact O-N 3.1Å; K462-S465 VanDerWaalsContact O-N 3.15Å; K462-S465 PolarHBondContact O-OG 2.79Å; K462-E466 WeakPolarHBondContact O-CB 3.33Å; K462-E466 WeakPolarHBondContact O-CG 3.47Å; K462-E466 PolarHBondContact O-N 2.99Å
463	K	72	Confident	69.1	Low	106 Å²	106	88.4 Å²	88.4	46%	0.461	44%	0.44	S	S	.	.	H	α-helix	trans	-58.6	-40.1	176.9	-70.2	165	-174.4	163.8	0	112.7	E459 H460 E466 Q467	E459-K463 WeakPolarHBondContact O-CD 3.46Å; E459-K463 VanDerWaalsContact O-CG 3.29Å; E459-K463 WeakPolarHBondContact O-CG 3.39Å; E459-K463 PolarHBondContact O-N 3.11Å; E459-K463 WeakPolarHBondContact OE1-CE 3.36Å; E459-K463 IonicContact OE1-NZ 3.89Å; E459-K463 PolarHBondContact OE1-NZ 2.94Å; H460-K463 PolarHBondContact O-N 3.1Å; K463-E466 PolarHBondContact O-N 2.88Å; K463-Q467 WeakPolarHBondContact O-CB 3.27Å; K463-Q467 PolarHBondContact O-N 3.12Å
464	I	69.6	Low	67.7	Low	83.5 Å²	83.5	91 Å²	91	43%	0.428	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-44.3	174.2	-69.9	169.7	0	0	0	111	H460 S461 K462 E466 Q467 A468	H460-I464 WeakPolarHBondContact O-CG1 3.38Å; H460-I464 PolarHBondContact O-N 3.13Å; S461-I464 PolarHBondContact O-N 2.87Å; K462-I464 VanDerWaalsContact C-N 3.31Å; K462-I464 PolarHBondContact O-N 2.93Å; I464-E466 PolarHBondContact O-N 3.43Å; I464-Q467 PolarHBondContact O-N 3.09Å; I464-A468 VanDerWaalsContact O-CB 3.32Å; I464-A468 WeakPolarHBondContact O-CB 3.4Å; I464-A468 PolarHBondContact O-N 2.91Å
465	S	63.6	Low	66.5	Low	70 Å²	70	89 Å²	89	49%	0.49	45%	0.452	S	S	.	.	H	α-helix	trans	-67.6	-36.3	179.5	70.6	0	0	0	0	112.8	S461 K462 K469	S461-S465 PolarHBondContact O-N 2.96Å; S461-S465 PolarHBondContact O-OG 2.88Å; K462-S465 WeakPolarHBondContact O-CA 3.26Å; K462-S465 PolarHBondContact O-N 3.1Å; K462-S465 VanDerWaalsContact O-N 3.15Å; K462-S465 PolarHBondContact O-OG 2.79Å; S465-K469 VanDerWaalsContact O-CB 3.29Å; S465-K469 WeakPolarHBondContact O-CB 3.29Å; S465-K469 PolarHBondContact O-N 3.18Å
466	E	65.7	Low	64.9	Low	130.5 Å²	130.5	88.2 Å²	88.2	61%	0.61	45%	0.453	S	S	*	.	H	α-helix	trans	-64.5	-45.5	172.7	-72.4	172.5	-174.2	0	0	111.7	K462 K463 I464 K469 L470	K462-E466 WeakPolarHBondContact O-CB 3.33Å; K462-E466 WeakPolarHBondContact O-CG 3.47Å; K462-E466 PolarHBondContact O-N 2.99Å; K463-E466 PolarHBondContact O-N 2.88Å; I464-E466 PolarHBondContact O-N 3.43Å; E466-K469 PolarHBondContact O-N 3.13Å; E466-L470 WeakPolarHBondContact O-CB 3.47Å; E466-L470 PolarHBondContact O-N 3.2Å
467	Q	63.5	Low	63.6	Low	126 Å²	126	92.4 Å²	92.4	59%	0.589	47%	0.465	S	S	*	.	H	α-helix	trans	-65.3	-43.2	177	-176.5	173.4	-23.5	0	0	111.8	K463 I464 K469 L470 E471	K463-Q467 WeakPolarHBondContact O-CB 3.27Å; K463-Q467 PolarHBondContact O-N 3.12Å; I464-Q467 PolarHBondContact O-N 3.09Å; Q467-K469 VanDerWaalsContact C-N 3.3Å; Q467-K469 PolarHBondContact O-N 3.32Å; Q467-L470 WeakPolarHBondContact O-CB 3.48Å; Q467-L470 PolarHBondContact O-N 3.18Å; Q467-E471 PolarHBondContact NE2-OE1 3.28Å; Q467-E471 PolarHBondContact O-N 3.12Å
468	A	60.4	Low	62.1	Low	42.5 Å²	42.5	96.3 Å²	96.3	35%	0.351	48%	0.48	S	S	.	.	H	α-helix	trans	-64.1	-34.9	175.9	0	0	0	0	0	112.2	I464 N472	I464-A468 VanDerWaalsContact O-CB 3.32Å; I464-A468 WeakPolarHBondContact O-CB 3.4Å; I464-A468 PolarHBondContact O-N 2.91Å; A468-N472 WeakPolarHBondContact O-CB 3.25Å; A468-N472 VanDerWaalsContact O-CG 3.23Å; A468-N472 PolarHBondContact O-N 3Å; A468-N472 PolarHBondContact O-ND2 3.27Å
469	K	64.3	Low	60.8	Low	95.5 Å²	95.5	97.2 Å²	97.2	42%	0.415	49%	0.491	S	S	.	.	H	α-helix	trans	-65	-45.3	172.9	-166.9	169.8	-172.9	169.9	0	111.1	S465 E466 Q467 E471 N472 D473 D918	S465-K469 VanDerWaalsContact O-CB 3.29Å; S465-K469 WeakPolarHBondContact O-CB 3.29Å; S465-K469 PolarHBondContact O-N 3.18Å; E466-K469 PolarHBondContact O-N 3.13Å; Q467-K469 VanDerWaalsContact C-N 3.3Å; Q467-K469 PolarHBondContact O-N 3.32Å; K469-E471 VanDerWaalsContact C-N 3.34Å; K469-E471 PolarHBondContact O-N 3.11Å; K469-N472 PolarHBondContact O-N 2.76Å; K469-D473 WeakPolarHBondContact O-CB 3.4Å; K469-D473 VanDerWaalsContact O-CG 3.3Å; K469-D473 PolarHBondContact O-N 3Å; K469-D918 IonicContact NZ-OD1 3.14Å; K469-D918 PolarHBondContact NZ-OD1 3.2Å; K469-D918 IonicContact NZ-OD2 2.74Å; K469-D918 PolarHBondContact NZ-OD2 3.25Å
470	L	61.8	Low	59.5	Low	113 Å²	113	96.5 Å²	96.5	59%	0.592	49%	0.491	S	S	*	.	H	α-helix	trans	-62.4	-38.8	176.9	-171.8	68.5	0	0	0	113.1	E466 Q467 M474	E466-L470 WeakPolarHBondContact O-CB 3.47Å; E466-L470 PolarHBondContact O-N 3.2Å; Q467-L470 WeakPolarHBondContact O-CB 3.48Å; Q467-L470 PolarHBondContact O-N 3.18Å; L470-M474 WeakPolarHBondContact O-CB 3.34Å; L470-M474 VanDerWaalsContact O-CG 3.25Å; L470-M474 WeakPolarHBondContact O-CG 3.25Å; L470-M474 PolarHBondContact O-N 3.07Å
471	E	55.1	Low	58.2	Low	119.5 Å²	119.5	96.9 Å²	96.9	56%	0.558	50%	0.495	S	S	*	.	H	α-helix	trans	-70.5	-36.5	176.6	-122.1	169.2	-162.9	0	0	112.3	Q467 K469 T475	Q467-E471 PolarHBondContact NE2-OE1 3.28Å; Q467-E471 PolarHBondContact O-N 3.12Å; K469-E471 VanDerWaalsContact C-N 3.34Å; K469-E471 PolarHBondContact O-N 3.11Å; E471-T475 WeakPolarHBondContact O-CB 3.25Å; E471-T475 WeakPolarHBondContact O-CG2 3.36Å; E471-T475 PolarHBondContact O-N 3.02Å; E471-T475 PolarHBondContact O-OG1 2.86Å
472	N	59.4	Low	57	Low	99.5 Å²	99.5	101.5 Å²	101.5	53%	0.532	52%	0.515	S	S	.	.	H	α-helix	trans	-66.5	-46.9	171.2	-74.8	-42.8	0	0	0	111.9	A468 K469 M474 T475 C476	A468-N472 WeakPolarHBondContact O-CB 3.25Å; A468-N472 VanDerWaalsContact O-CG 3.23Å; A468-N472 PolarHBondContact O-N 3Å; A468-N472 PolarHBondContact O-ND2 3.27Å; K469-N472 PolarHBondContact O-N 2.76Å; N472-M474 VanDerWaalsContact C-N 3.3Å; N472-M474 PolarHBondContact O-N 3.19Å; N472-T475 WeakPolarHBondContact CA-OG1 3.32Å; N472-T475 PolarHBondContact O-N 3.06Å; N472-T475 VanDerWaalsContact O-N 3.12Å; N472-T475 PolarHBondContact O-OG1 3.17Å; N472-T475 VanDerWaalsContact O-OG1 3.06Å; N472-C476 WeakPolarHBondContact O-CB 3.25Å; N472-C476 PolarHBondContact O-N 2.87Å; N472-C476 PolarHBondContact O-SG 3.21Å; N472-C476 VanDerWaalsContact O-SG 3.38Å
473	D	61.6	Low	55.8	Low	97.5 Å²	97.5	100.3 Å²	100.3	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-59.3	-41.1	177.1	-73.4	-16.9	0	0	0	111.5	K469 Y477	K469-D473 WeakPolarHBondContact O-CB 3.4Å; K469-D473 VanDerWaalsContact O-CG 3.3Å; K469-D473 PolarHBondContact O-N 3Å; D473-Y477 WeakPolarHBondContact O-CB 3.29Å; D473-Y477 PolarHBondContact O-N 2.93Å
474	M	52.7	Low	54.4	Low	99 Å²	99	101 Å²	101	49%	0.488	53%	0.527	S	S	.	.	H	α-helix	trans	-66.2	-41.3	175.3	-78	-80.2	-71.9	0	0	113.1	L470 N472 Y477 Y478	L470-M474 WeakPolarHBondContact O-CB 3.34Å; L470-M474 VanDerWaalsContact O-CG 3.25Å; L470-M474 WeakPolarHBondContact O-CG 3.25Å; L470-M474 PolarHBondContact O-N 3.07Å; N472-M474 VanDerWaalsContact C-N 3.3Å; N472-M474 PolarHBondContact O-N 3.19Å; M474-Y477 PolarHBondContact O-N 3.19Å; M474-Y478 HydrophobicContact CE-CE2 4.14Å; M474-Y478 VanDerWaalsContact O-CD2 3.28Å; M474-Y478 WeakPolarHBondContact O-CD2 3.43Å; M474-Y478 PolarHBondContact O-N 3.13Å; M474-Y478 VanDerWaalsContact O-N 3.13Å
475	T	54.5	Low	52.8	Low	77.5 Å²	77.5	102.6 Å²	102.6	48%	0.475	54%	0.536	S	S	.	.	H	α-helix	trans	-72.7	-32.8	178.9	46	0	0	0	0	112.4	E471 N472 S479	E471-T475 WeakPolarHBondContact O-CB 3.25Å; E471-T475 WeakPolarHBondContact O-CG2 3.36Å; E471-T475 PolarHBondContact O-N 3.02Å; E471-T475 PolarHBondContact O-OG1 2.86Å; N472-T475 WeakPolarHBondContact CA-OG1 3.32Å; N472-T475 PolarHBondContact O-N 3.06Å; N472-T475 VanDerWaalsContact O-N 3.12Å; N472-T475 PolarHBondContact O-OG1 3.17Å; N472-T475 VanDerWaalsContact O-OG1 3.06Å; T475-S479 WeakPolarHBondContact O-CB 3.3Å; T475-S479 PolarHBondContact O-N 3.16Å; T475-S479 VanDerWaalsContact O-N 3.1Å; T475-S479 PolarHBondContact O-OG 2.88Å
476	C	45.7	Very low	51.4	Low	75 Å²	75	106.3 Å²	106.3	51%	0.507	55%	0.55	S	S	.	*	H	α-helix	trans	-60.4	-49.5	165.9	-71.6	0	0	0	0	111.3	N472 Y478 S479 D480	N472-C476 WeakPolarHBondContact O-CB 3.25Å; N472-C476 PolarHBondContact O-N 2.87Å; N472-C476 PolarHBondContact O-SG 3.21Å; N472-C476 VanDerWaalsContact O-SG 3.38Å; C476-Y478 VanDerWaalsContact C-N 3.35Å; C476-Y478 PolarHBondContact O-N 3.27Å; C476-S479 WeakPolarHBondContact O-CA 3.29Å; C476-S479 WeakPolarHBondContact O-CB 3.25Å; C476-S479 PolarHBondContact O-N 2.89Å; C476-D480 PolarHBondContact O-N 3.43Å
477	Y	47.3	Very low	49.8	Very low	149.5 Å²	149.5	108 Å²	108	59%	0.586	56%	0.563	S	S	*	*	H	α-helix	trans	-59.2	-40.7	-179.7	-169	-98.9	0	0	0	113.4	D473 M474 L481	D473-Y477 WeakPolarHBondContact O-CB 3.29Å; D473-Y477 PolarHBondContact O-N 2.93Å; M474-Y477 PolarHBondContact O-N 3.19Å; Y477-L481 HydrophobicContact CD1-CD1 3.92Å; Y477-L481 HydrophobicContact CE1-CD1 3.63Å; Y477-L481 HydrophobicContact CE1-CG 4.43Å; Y477-L481 WeakPolarHBondContact O-CG 3.47Å; Y477-L481 PolarHBondContact O-N 2.76Å; Y477-L481 VanDerWaalsContact O-N 3.09Å
478	Y	47.1	Very low	48.3	Very low	145 Å²	145	106.5 Å²	106.5	57%	0.569	57%	0.567	S	S	*	*	H	α-helix	trans	-69.5	-33.2	173.1	-82.8	-68.7	0	0	0	113.1	M474 C476 L481 L482	M474-Y478 HydrophobicContact CE-CE2 4.14Å; M474-Y478 VanDerWaalsContact O-CD2 3.28Å; M474-Y478 WeakPolarHBondContact O-CD2 3.43Å; M474-Y478 PolarHBondContact O-N 3.13Å; M474-Y478 VanDerWaalsContact O-N 3.13Å; C476-Y478 VanDerWaalsContact C-N 3.35Å; C476-Y478 PolarHBondContact O-N 3.27Å; Y478-L481 HydrophobicContact CD1-CD1 4.48Å; Y478-L481 PolarHBondContact O-N 3.4Å; Y478-L482 WeakPolarHBondContact O-CB 3.43Å; Y478-L482 PolarHBondContact O-N 2.78Å; Y478-L482 VanDerWaalsContact O-N 3.1Å
479	S	48.4	Very low	47	Very low	66 Å²	66	111.2 Å²	111.2	46%	0.462	59%	0.586	S	S	.	*	H	α-helix	trans	-67.9	-41.3	176.3	-60	0	0	0	0	111.7	T475 C476 L481 L482 T483	T475-S479 WeakPolarHBondContact O-CB 3.3Å; T475-S479 PolarHBondContact O-N 3.16Å; T475-S479 VanDerWaalsContact O-N 3.1Å; T475-S479 PolarHBondContact O-OG 2.88Å; C476-S479 WeakPolarHBondContact O-CA 3.29Å; C476-S479 WeakPolarHBondContact O-CB 3.25Å; C476-S479 PolarHBondContact O-N 2.89Å; S479-L481 VanDerWaalsContact C-N 3.35Å; S479-L481 PolarHBondContact O-N 2.65Å; S479-L482 WeakPolarHBondContact O-CB 3.37Å; S479-L482 PolarHBondContact O-N 3.39Å; S479-L482 VanDerWaalsContact O-N 3.07Å; S479-T483 WeakPolarHBondContact O-CB 3.43Å; S479-T483 WeakPolarHBondContact O-CG2 3.4Å; S479-T483 PolarHBondContact O-N 2.95Å; S479-T483 PolarHBondContact O-OG1 3.43Å
480	D	45.6	Very low	45.5	Very low	92.5 Å²	92.5	114.9 Å²	114.9	50%	0.495	61%	0.608	S	S	.	*	H	α-helix	trans	-65.8	-36.8	174.9	-77.1	-24.5	0	0	0	112.5	C476 L482 T483 N484	C476-D480 PolarHBondContact O-N 3.43Å; D480-L482 VanDerWaalsContact C-N 3.3Å; D480-L482 PolarHBondContact O-N 2.96Å; D480-T483 WeakPolarHBondContact CA-OG1 3.44Å; D480-T483 PolarHBondContact O-N 3.22Å; D480-T483 PolarHBondContact O-OG1 3.07Å; D480-N484 VanDerWaalsContact O-CB 3.32Å; D480-N484 WeakPolarHBondContact O-CB 3.41Å; D480-N484 PolarHBondContact O-N 2.72Å; D480-N484 VanDerWaalsContact O-N 3.11Å; D480-N484 PolarHBondContact O-ND2 2.94Å
481	L	44.1	Very low	44.1	Very low	83 Å²	83	116.4 Å²	116.4	44%	0.435	62%	0.615	S	S	.	*	H	α-helix	trans	-66.7	-30.3	172.7	-80.2	169.6	0	0	0	113	Y477 Y478 S479 N485	Y477-L481 HydrophobicContact CD1-CD1 3.92Å; Y477-L481 HydrophobicContact CE1-CD1 3.63Å; Y477-L481 HydrophobicContact CE1-CG 4.43Å; Y477-L481 WeakPolarHBondContact O-CG 3.47Å; Y477-L481 PolarHBondContact O-N 2.76Å; Y477-L481 VanDerWaalsContact O-N 3.09Å; Y478-L481 HydrophobicContact CD1-CD1 4.48Å; Y478-L481 PolarHBondContact O-N 3.4Å; S479-L481 VanDerWaalsContact C-N 3.35Å; S479-L481 PolarHBondContact O-N 2.65Å; L481-N485 PolarHBondContact O-ND2 3.16Å
482	L	43.5	Very low	43	Very low	142.5 Å²	142.5	118 Å²	118	75%	0.746	63%	0.628	S	S	*	*	H	α-helix	trans	-80.2	-32.3	176.5	-82.9	161.1	0	0	0	113.1	Y478 S479 D480	Y478-L482 WeakPolarHBondContact O-CB 3.43Å; Y478-L482 PolarHBondContact O-N 2.78Å; Y478-L482 VanDerWaalsContact O-N 3.1Å; S479-L482 WeakPolarHBondContact O-CB 3.37Å; S479-L482 PolarHBondContact O-N 3.39Å; S479-L482 VanDerWaalsContact O-N 3.07Å; D480-L482 VanDerWaalsContact C-N 3.3Å; D480-L482 PolarHBondContact O-N 2.96Å
483	T	46.8	Very low	41.7	Very low	92 Å²	92	121.1 Å²	121.1	56%	0.564	64%	0.639	S	S	*	*	H	α-helix	trans	-83.1	-33.3	-178.8	51.7	0	0	0	0	113.5	S479 D480 N485 N486	S479-T483 WeakPolarHBondContact O-CB 3.43Å; S479-T483 WeakPolarHBondContact O-CG2 3.4Å; S479-T483 PolarHBondContact O-N 2.95Å; S479-T483 PolarHBondContact O-OG1 3.43Å; D480-T483 WeakPolarHBondContact CA-OG1 3.44Å; D480-T483 PolarHBondContact O-N 3.22Å; D480-T483 PolarHBondContact O-OG1 3.07Å; T483-N485 PolarHBondContact O-N 3.2Å; T483-N486 PolarHBondContact O-ND2 3.31Å
484	N	41.9	Very low	40.4	Very low	122 Å²	122	124 Å²	124	65%	0.652	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-4	-175.9	-75.3	-74.1	0	0	0	115.2	D480 N486	D480-N484 VanDerWaalsContact O-CB 3.32Å; D480-N484 WeakPolarHBondContact O-CB 3.41Å; D480-N484 PolarHBondContact O-N 2.72Å; D480-N484 VanDerWaalsContact O-N 3.11Å; D480-N484 PolarHBondContact O-ND2 2.94Å; N484-N486 PolarHBondContact O-N 2.76Å; N484-N486 VanDerWaalsContact O-N 3.13Å
485	N	36.6	Very low	39.3	Very low	117.5 Å²	117.5	123.1 Å²	123.1	63%	0.628	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	50	-179.3	-86.6	-68.5	0	0	0	114	L481 T483 L487	L481-N485 PolarHBondContact O-ND2 3.16Å; T483-N485 PolarHBondContact O-N 3.2Å; N485-L487 VanDerWaalsContact C-N 3.33Å; N485-L487 PolarHBondContact O-N 3.12Å
486	N	34.5	Very low	38.1	Very low	146 Å²	146	125.3 Å²	125.3	78%	0.781	69%	0.688	S	S	*	*			trans	-74.8	74.2	172.6	-78.6	-68.1	0	0	0	112.8	T483 N484	T483-N486 PolarHBondContact O-ND2 3.31Å; N484-N486 PolarHBondContact O-N 2.76Å; N484-N486 VanDerWaalsContact O-N 3.13Å
487	L	30.4	Very low	37.3	Very low	167 Å²	167	129.2 Å²	129.2	87%	0.874	70%	0.702	S	S	*	*			trans	-98.6	92.5	167.4	-123.1	88.7	0	0	0	111.1	N485	N485-L487 VanDerWaalsContact C-N 3.33Å; N485-L487 PolarHBondContact O-N 3.12Å
488	S	32.4	Very low	36.5	Very low	95.5 Å²	95.5	129.3 Å²	129.3	67%	0.668	71%	0.712	S	S	*	*			trans	-121.4	125.7	167.1	62.9	0	0	0	0	111.4
489	N	34	Very low	35.6	Very low	140.5 Å²	140.5	128.2 Å²	128.2	75%	0.751	72%	0.721	S	S	*	*			trans	60.7	92.8	164.3	-48.7	-39.6	0	0	0	117.1
490	I	32.9	Very low	34.6	Very low	173 Å²	173	129.7 Å²	129.7	89%	0.887	74%	0.737	S	S	*	*				-116.2	126.9	127.6	-78.4	161.9	0	0	0	106.4
491	I	30.6	Very low	33.7	Very low	143.5 Å²	143.5	131.6 Å²	131.6	74%	0.736	75%	0.752	S	S	*	*			trans	-112.3	132.3	171	-63.6	171.5	0	0	0	106.2
492	D	33.3	Very low	33	Very low	154 Å²	154	132.3 Å²	132.3	82%	0.824	76%	0.764	S	S	*	*			trans	-153.3	160.5	145.8	-128.1	-24.1	0	0	0	111.2	N494	D492-N494 PolarHBondContact O-N 2.86Å
493	E	31.3	Very low	32.3	Very low	164.5 Å²	164.5	131.1 Å²	131.1	77%	0.769	76%	0.763	S	S	*	*			trans	-83.2	131.7	-162.8	-59.2	-171.3	141.1	0	0	114.9
494	N	34.1	Very low	31.4	Very low	158.5 Å²	158.5	133.6 Å²	133.6	85%	0.848	77%	0.772	S	S	*	*			trans	121.8	97.5	148.9	-76.3	-55.7	0	0	0	114.2	D492	D492-N494 PolarHBondContact O-N 2.86Å
495	G	30.5	Very low	30.9	Very low	79.5 Å²	79.5	133 Å²	133	82%	0.82	77%	0.769	S	S	*	*			trans	-133.4	111.8	177.9	0	0	0	0	0	115.5
496	C	28.5	Very low	30.7	Very low	125 Å²	125	135.7 Å²	135.7	85%	0.845	78%	0.775	S	S	*	*			trans	-108.2	128.9	162.9	-73.3	0	0	0	0	110.9
497	I	29.3	Very low	30.6	Very low	157 Å²	157	137.3 Å²	137.3	81%	0.805	78%	0.777	S	S	*	*			trans	-130.2	124.6	152	-81.1	162	0	0	0	110.4	V499	I497-V499 HydrophobicContact CG2-CG2 4.16Å
498	N	30.3	Very low	30.7	Very low	150.5 Å²	150.5	135.8 Å²	135.8	81%	0.805	77%	0.769	S	S	*	*			trans	-53.2	101.4	160.2	-67.6	-28.9	0	0	0	115.4
499	V	29.3	Very low	30.7	Very low	122.5 Å²	122.5	134.5 Å²	134.5	74%	0.742	77%	0.77	S	S	*	*			trans	-45.2	118.4	143.8	-179.9	0	0	0	0	111.9	I497 T501	I497-V499 HydrophobicContact CG2-CG2 4.16Å; V499-T501 HydrophobicContact CG1-CG2 4.14Å; V499-T501 PolarHBondContact O-N 2.77Å
500	A	27.7	Very low	30.6	Very low	98 Å²	98	134.1 Å²	134.1	81%	0.81	77%	0.768	S	S	*	*			trans	-101.9	86.7	174	0	0	0	0	0	111.5	S502	A500-S502 PolarHBondContact O-N 2.77Å
501	T	26	Very low	30.7	Very low	132.5 Å²	132.5	135.3 Å²	135.3	81%	0.813	76%	0.763	S	S	*	*			trans	-84	96.6	165.1	46.9	0	0	0	0	110.1	V499	V499-T501 HydrophobicContact CG1-CG2 4.14Å; V499-T501 PolarHBondContact O-N 2.77Å
502	S	29.2	Very low	30.7	Very low	96 Å²	96	133.2 Å²	133.2	67%	0.671	76%	0.761	S	S	*	*			trans	-98.8	109.1	171.7	54.8	0	0	0	0	110.2	A500	A500-S502 PolarHBondContact O-N 2.77Å
503	T	28.3	Very low	30.7	Very low	117.5 Å²	117.5	131.8 Å²	131.8	72%	0.721	75%	0.753	S	S	*	*				47.3	122.5	113.8	61.7	0	0	0	0	115.5
504	L	28.8	Very low	30.9	Very low	144.5 Å²	144.5	131.2 Å²	131.2	76%	0.757	75%	0.751	S	S	*	*			cis	118.2	137.3	25.7	-152.9	68.5	0	0	0	109.9
505	N	31.7	Very low	30.6	Very low	110 Å²	110	133.1 Å²	133.1	59%	0.588	75%	0.746	S	S	*	*				138.5	101.8	82.2	-115.9	22.3	0	0	0	116.1
506	K	31.2	Very low	30.8	Very low	175 Å²	175	135.1 Å²	135.1	76%	0.761	74%	0.738	S	S	*	*				-37.2	134.4	118.6	-63.5	176.5	176.2	178.2	0	114.4	I508	K506-I508 HydrophobicContact CB-CD1 3.89Å; K506-I508 HydrophobicContact CB-CG1 4.24Å; K506-I508 HydrophobicContact CD-CD1 3.74Å; K506-I508 HydrophobicContact CG-CD1 3.85Å
507	H	33.3	Very low	31.1	Very low	178.5 Å²	178.5	136.3 Å²	136.3	83%	0.826	73%	0.731	S	S	*	*				-117	131.4	63.7	-88.9	-92.2	0	0	0	110.8
508	I	31.5	Very low	31.2	Very low	136.5 Å²	136.5	136.7 Å²	136.7	70%	0.7	73%	0.729	S	S	*	*				-23.4	128.9	97.7	-61.9	177.3	0	0	0	108.5	K506	K506-I508 HydrophobicContact CB-CD1 3.89Å; K506-I508 HydrophobicContact CB-CG1 4.24Å; K506-I508 HydrophobicContact CD-CD1 3.74Å; K506-I508 HydrophobicContact CG-CD1 3.85Å
509	G	32.3	Very low	31.2	Very low	67.5 Å²	67.5	137.5 Å²	137.5	70%	0.696	73%	0.725	S	S	*	*				-158.8	142.8	-87.4	0	0	0	0	0	112.1
510	D	32.4	Very low	31.5	Very low	133 Å²	133	137.3 Å²	137.3	71%	0.711	73%	0.727	S	S	*	*				131.9	150.7	80	-108.5	5.7	0	0	0	117
511	Y	35.1	Very low	31.8	Very low	196.5 Å²	196.5	141.2 Å²	141.2	77%	0.771	73%	0.728	S	S	*	*			trans	31.1	125.3	168.4	-59	-82.6	0	0	0	119.2
512	S	31.6	Very low	32	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	72%	0.722	S	S	*	*			cis	94.7	145.9	36.5	79.5	0	0	0	0	112.6
513	D	31.8	Very low	32.3	Very low	124.5 Å²	124.5	140.5 Å²	140.5	67%	0.666	73%	0.726	S	S	*	*				146.4	146.7	68	-168.3	16.9	0	0	0	112.9
514	H	35.1	Very low	32.4	Very low	153 Å²	153	142.7 Å²	142.7	71%	0.708	73%	0.732	S	S	*	*			trans	118.6	147	154.9	-84.6	-15.2	0	0	0	115.3
515	R	29.7	Very low	32.7	Very low	198.5 Å²	198.5	141 Å²	141	75%	0.749	73%	0.729	S	S	*	*				-130.3	155.6	-105.8	-82.2	178.7	-159.9	-173.9	4.9	108.2
516	D	33.4	Very low	32.8	Very low	120.5 Å²	120.5	141.3 Å²	141.3	64%	0.644	74%	0.738	S	S	*	*				125.9	155.8	108.6	-85.5	-46.6	0	0	0	115.6
517	H	34.2	Very low	32.7	Very low	151 Å²	151	142.8 Å²	142.8	70%	0.699	74%	0.744	S	S	*	*				126.4	124.6	80.9	-75.7	-36.5	0	0	0	116
518	Q	33.2	Very low	32.6	Very low	164.5 Å²	164.5	140.1 Å²	140.1	77%	0.769	74%	0.742	S	S	*	*				111.6	159.5	122.3	-78.6	177	61.1	0	0	117.3
519	K	30.4	Very low	32.4	Very low	168.5 Å²	168.5	144.8 Å²	144.8	73%	0.733	75%	0.751	S	S	*	*				-109.7	153.6	-84.4	-91.6	172.7	178.5	164.8	0	111.8	H521	K519-H521 PolarHBondContact O-N 3.38Å
520	P	35.4	Very low	32.2	Very low	118 Å²	118	150.3 Å²	150.3	77%	0.766	76%	0.759	S	S	*	*			trans	-83.5	136.7	169.7	34.5	-33	0	0	0	111.4
521	H	32.9	Very low	31.9	Very low	179.5 Å²	179.5	148.4 Å²	148.4	83%	0.831	76%	0.762	S	S	*	*			trans	-116.4	152.5	153.2	-91.9	-77.8	0	0	0	110.1	K519	K519-H521 PolarHBondContact O-N 3.38Å
522	S	31.1	Very low	31.8	Very low	98 Å²	98	147 Å²	147	69%	0.685	76%	0.762	S	S	*	*			trans	-92.3	157.9	-172.2	53.7	0	0	0	0	111.6	L524	S522-L524 PolarHBondContact O-N 2.83Å
523	P	35.6	Very low	31.6	Very low	116.5 Å²	116.5	149.5 Å²	149.5	76%	0.756	77%	0.767	S	S	*	*				-97.9	140.8	-116.1	29.8	-24.7	0	0	0	111.4
524	L	30.8	Very low	31.7	Very low	162.5 Å²	162.5	150.3 Å²	150.3	85%	0.851	77%	0.769	S	S	*	*			trans	-124.9	145.6	154.2	-87.5	121.3	0	0	0	109.1	S522	S522-L524 PolarHBondContact O-N 2.83Å
525	P	34.5	Very low	31.4	Very low	108 Å²	108	148.5 Å²	148.5	70%	0.701	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-77.4	146.8	-177.6	31.8	-34.9	0	0	0	112
526	P	33.7	Very low	31.5	Very low	118 Å²	118	145.9 Å²	145.9	77%	0.766	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-69.5	147.1	175.2	29.8	-34.6	0	0	0	111.3	P528	P526-P528 WeakPolarHBondContact O-CD 3.43Å
527	K	28.5	Very low	31.4	Very low	206 Å²	206	144.7 Å²	144.7	90%	0.896	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-71.4	122.4	165.8	-81.4	-177	172	-177.6	0	109.7	R529	K527-R529 PolarHBondContact O-N 2.89Å
528	P	31.4	Very low	31.3	Very low	121 Å²	121	143.9 Å²	143.9	79%	0.786	76%	0.759	S	S	*	*			trans	-83.7	153	151.1	31.4	-31.7	0	0	0	109.6	P526	P526-P528 WeakPolarHBondContact O-CD 3.43Å
529	R	27.6	Very low	31.3	Very low	236 Å²	236	139.9 Å²	139.9	89%	0.891	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-63.9	144	173.8	-72	171.9	169.7	157.6	-4.7	111.2	K527	K527-R529 PolarHBondContact O-N 2.89Å
530	E	27.8	Very low	31.4	Very low	182 Å²	182	137.2 Å²	137.2	85%	0.85	75%	0.745	S	S	*	*			trans	-117.1	157.7	138.6	-85.9	161.2	163.8	0	0	111.3
531	A	27.1	Very low	31.2	Very low	94.5 Å²	94.5	136.2 Å²	136.2	78%	0.781	74%	0.741	S	S	*	*			trans	154.8	92.3	175.5	0	0	0	0	0	112.8
532	H	31.3	Very low	31	Very low	167.5 Å²	167.5	133.1 Å²	133.1	78%	0.775	74%	0.735	S	S	*	*			trans	-106.5	118.5	154.5	-87.7	-89	0	0	0	109.2
533	L	28.2	Very low	31	Very low	152 Å²	152	135.3 Å²	135.3	80%	0.796	74%	0.738	S	S	*	*				0.2	118.2	113	-76.7	164.9	0	0	0	110.4
534	I	33.7	Very low	30.7	Very low	141 Å²	141	134.9 Å²	134.9	72%	0.723	73%	0.729	S	S	*	*			trans	-130.2	105.6	157.8	-71.5	161.9	0	0	0	104.8
535	D	29	Very low	30.7	Very low	115 Å²	115	132.7 Å²	132.7	62%	0.615	73%	0.725	S	S	*	*				9.9	124.5	102	-119.4	-1.1	0	0	0	111.3
536	L	31.6	Very low	30.6	Very low	144.5 Å²	144.5	135.3 Å²	135.3	76%	0.757	73%	0.728	S	S	*	*			trans	-138.4	89.5	170.1	-91.9	170.9	0	0	0	111.1	L538	L536-L538 PolarHBondContact O-N 2.79Å
537	D	30.9	Very low	30.5	Very low	95.5 Å²	95.5	136 Å²	136	51%	0.511	73%	0.725	S	S	.	*			trans	-66.2	140.2	179.1	-85.9	-40.8	0	0	0	113.8
538	L	32.9	Very low	30.5	Very low	133 Å²	133	133.5 Å²	133.5	70%	0.696	72%	0.721	S	S	*	*			trans	-149	62.1	146.9	-84.6	175	0	0	0	114.2	L536 M552	L536-L538 PolarHBondContact O-N 2.79Å; L538-M552 HydrophobicContact CD2-CE 4.11Å
539	T	32.5	Very low	30.5	Very low	80 Å²	80	132.8 Å²	132.8	49%	0.491	71%	0.714	S	S	.	*			trans	-6.9	142.4	157	55	0	0	0	0	116.7	S541	T539-S541 PolarHBondContact O-N 2.85Å
540	P	33.4	Very low	30.7	Very low	112 Å²	112	126.4 Å²	126.4	73%	0.727	71%	0.706	S	S	*	*			trans	-106.8	86.7	-163.3	38.1	-32.5	0	0	0	116
541	S	30.1	Very low	30.9	Very low	97 Å²	97	123 Å²	123	68%	0.678	70%	0.698	S	S	*	*	S	Bend	trans	-130.9	61.5	178.4	58.2	0	0	0	0	115.3	T539	T539-S541 PolarHBondContact O-N 2.85Å
542	T	29.9	Very low	31.1	Very low	115 Å²	115	123.3 Å²	123.3	71%	0.706	68%	0.684	S	S	*	*	S	Bend	trans	134.9	42	175	53.4	0	0	0	0	117.6
543	I	31.3	Very low	31.1	Very low	144.5 Å²	144.5	120.6 Å²	120.6	74%	0.741	68%	0.675	S	S	*	*			trans	-106.3	127.5	171.1	-63.1	179.7	0	0	0	110.2
544	N	29.2	Very low	31.3	Very low	107 Å²	107	118.5 Å²	118.5	57%	0.572	66%	0.664	S	S	*	*			trans	-73	126.8	172.5	-177.5	9.9	0	0	0	109.2	Q546 N547	N544-Q546 PolarHBondContact O-N 2.76Å; N544-Q546 PolarHBondContact OD1-N 2.87Å; N544-N547 PolarHBondContact O-N 2.74Å
545	P	30.8	Very low	31.4	Very low	117.5 Å²	117.5	114.6 Å²	114.6	76%	0.763	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-70.4	22.7	-172.1	28.1	-36	0	0	0	114.2
546	Q	31.4	Very low	31.6	Very low	163 Å²	163	117.2 Å²	117.2	76%	0.762	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-110.4	67.8	169.9	-67.2	-174.1	-18.2	0	0	111.6	N544	N544-Q546 PolarHBondContact O-N 2.76Å; N544-Q546 PolarHBondContact OD1-N 2.87Å
547	N	31.1	Very low	31.6	Very low	132 Å²	132	116.4 Å²	116.4	71%	0.706	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-18.6	53.6	-174.5	-73.7	-8.8	0	0	0	115.7	N544 T549	N544-N547 PolarHBondContact O-N 2.74Å; N547-T549 PolarHBondContact O-N 2.81Å
548	L	30.2	Very low	31.8	Very low	154.5 Å²	154.5	117.9 Å²	117.9	81%	0.809	66%	0.656	S	S	*	*			trans	-115.7	71	155	-110.6	153	0	0	0	110.5	S550	L548-S550 PolarHBondContact O-N 2.77Å
549	T	31.5	Very low	31.7	Very low	105.5 Å²	105.5	118.5 Å²	118.5	65%	0.647	65%	0.649	S	S	*	*			trans	-75.2	117.2	-177.2	46.8	0	0	0	0	112.7	N547 T551	N547-T549 PolarHBondContact O-N 2.81Å; T549-T551 PolarHBondContact O-N 2.77Å
550	S	30.7	Very low	31.9	Very low	102 Å²	102	117.9 Å²	117.9	71%	0.713	65%	0.648	S	S	*	*	S	Bend	trans	-1.3	69.8	159.2	60.4	0	0	0	0	116.2	L548 N554	L548-S550 PolarHBondContact O-N 2.77Å; S550-N554 WeakPolarHBondContact O-CB 3.44Å; S550-N554 PolarHBondContact O-ND2 3.05Å
551	T	31.5	Very low	31.9	Very low	111 Å²	111	116.6 Å²	116.6	68%	0.681	64%	0.641	S	S	*	*	S	Bend	trans	-105.5	-126.6	-179.4	50.5	0	0	0	0	112.4	T549 N554	T549-T551 PolarHBondContact O-N 2.77Å; T551-N554 PolarHBondContact O-N 3.05Å
552	M	31.2	Very low	32	Very low	99 Å²	99	117 Å²	117	49%	0.488	63%	0.634	S	S	.	*	G	3₁₀ helix	trans	6	-4.8	175.1	-55.3	-166.4	72.6	0	0	115.5	K190 L538 N554 S555	K190-M552 PolarHBondContact NZ-SD 2.58Å; K190-M552 VanDerWaalsContact NZ-SD 3.44Å; L538-M552 HydrophobicContact CD2-CE 4.11Å; M552-N554 PolarHBondContact O-N 2.66Å; M552-N554 VanDerWaalsContact O-N 3.14Å; M552-S555 VanDerWaalsContact O-CB 3.31Å; M552-S555 WeakPolarHBondContact O-CB 3.36Å; M552-S555 PolarHBondContact O-N 2.91Å; M552-S555 VanDerWaalsContact O-N 3.08Å
553	L	31.9	Very low	32	Very low	111.5 Å²	111.5	115.4 Å²	115.4	58%	0.584	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-99.6	-7.8	166.8	-82	175.2	0	0	0	115.2	Y457 R559	Y457-L553 HydrophobicContact CE2-CD2 4.28Å; L553-R559 PolarHBondContact O-NE 3.23Å; L553-R559 PolarHBondContact O-NH2 3.3Å
554	N	33.3	Very low	32	Very low	109 Å²	109	114.6 Å²	114.6	58%	0.583	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-112.9	64	175.5	-73.2	-33.5	0	0	0	112.3	S550 T551 M552 E556 R559	S550-N554 WeakPolarHBondContact O-CB 3.44Å; S550-N554 PolarHBondContact O-ND2 3.05Å; T551-N554 PolarHBondContact O-N 3.05Å; M552-N554 PolarHBondContact O-N 2.66Å; M552-N554 VanDerWaalsContact O-N 3.14Å; N554-E556 PolarHBondContact O-N 3.39Å; N554-E556 VanDerWaalsContact O-N 3.13Å; N554-R559 PolarHBondContact OD1-NH2 3.36Å
555	S	35.8	Very low	32.1	Very low	58 Å²	58	114.6 Å²	114.6	41%	0.406	63%	0.629	S	S	.	*			trans	-81.5	105.9	160.6	-179.5	0	0	0	0	108.9	M552 L557 F558 R559	M552-S555 VanDerWaalsContact O-CB 3.31Å; M552-S555 WeakPolarHBondContact O-CB 3.36Å; M552-S555 PolarHBondContact O-N 2.91Å; M552-S555 VanDerWaalsContact O-N 3.08Å; S555-L557 PolarHBondContact O-N 3.19Å; S555-F558 PolarHBondContact O-N 2.83Å; S555-F558 VanDerWaalsContact O-N 3.12Å; S555-F558 PolarHBondContact OG-N 2.94Å; S555-R559 PolarHBondContact O-N 2.95Å; S555-R559 VanDerWaalsContact O-N 3.1Å
556	E	31.7	Very low	31.9	Very low	169 Å²	169	113.7 Å²	113.7	79%	0.79	63%	0.626	S	S	*	*	H	α-helix	trans	-58.8	-33.7	-176.2	-66	-174.6	144.5	0	0	112.2	N554 F558 R559 S560	N554-E556 PolarHBondContact O-N 3.39Å; N554-E556 VanDerWaalsContact O-N 3.13Å; E556-F558 VanDerWaalsContact C-N 3.27Å; E556-F558 PolarHBondContact O-N 2.73Å; E556-R559 PolarHBondContact O-N 2.77Å; E556-S560 VanDerWaalsContact O-CB 3.25Å; E556-S560 WeakPolarHBondContact O-CB 3.31Å; E556-S560 PolarHBondContact O-N 2.66Å; E556-S560 VanDerWaalsContact O-N 3.12Å; E556-S560 PolarHBondContact O-OG 3.44Å
557	L	33.1	Very low	31.6	Very low	128 Å²	128	111.6 Å²	111.6	67%	0.67	62%	0.624	S	S	*	*	H	α-helix	trans	-60.1	-42.9	177.5	-70.9	171.9	0	0	0	112.1	S555 R559 S560 C561	S555-L557 PolarHBondContact O-N 3.19Å; L557-R559 PolarHBondContact O-N 2.74Å; L557-S560 PolarHBondContact O-N 3.2Å; L557-S560 PolarHBondContact O-OG 3.09Å; L557-C561 PolarHBondContact O-N 3.49Å; L557-C561 PolarHBondContact O-SG 3.32Å
558	F	34.8	Very low	31.5	Very low	126.5 Å²	126.5	110.6 Å²	110.6	56%	0.555	62%	0.623	S	S	*	*	H	α-helix	trans	-76.1	-36.3	-178.2	-152.2	-93	0	0	0	112.6	Y457 S555 E556 S560 C561 L562	Y457-F558 HydrophobicContact CD2-CE1 4.34Å; Y457-F558 AromaticContact CE2-CE1 3.98Å; Y457-F558 HydrophobicContact CE2-CE1 3.98Å; S555-F558 PolarHBondContact O-N 2.83Å; S555-F558 VanDerWaalsContact O-N 3.12Å; S555-F558 PolarHBondContact OG-N 2.94Å; E556-F558 VanDerWaalsContact C-N 3.27Å; E556-F558 PolarHBondContact O-N 2.73Å; F558-S560 PolarHBondContact O-N 3.17Å; F558-C561 PolarHBondContact O-N 3.15Å; F558-L562 HydrophobicContact CD1-CD1 3.89Å; F558-L562 HydrophobicContact CE1-CD1 3.39Å; F558-L562 HydrophobicContact CE2-CD1 4.23Å; F558-L562 HydrophobicContact CG-CD1 4.5Å; F558-L562 HydrophobicContact CZ-CD1 3.59Å
559	R	30.3	Very low	31.3	Very low	145.5 Å²	145.5	108.8 Å²	108.8	55%	0.549	62%	0.618	S	S	.	*	H	α-helix	trans	-70.6	-31.3	175.4	-75	-165.4	174	-147.8	1.5	113.1	L553 N554 S555 E556 L557 C561 L562 S563	L553-R559 PolarHBondContact O-NE 3.23Å; L553-R559 PolarHBondContact O-NH2 3.3Å; N554-R559 PolarHBondContact OD1-NH2 3.36Å; S555-R559 PolarHBondContact O-N 2.95Å; S555-R559 VanDerWaalsContact O-N 3.1Å; E556-R559 PolarHBondContact O-N 2.77Å; L557-R559 PolarHBondContact O-N 2.74Å; R559-C561 PolarHBondContact O-N 3.11Å; R559-L562 PolarHBondContact O-N 3.09Å; R559-L562 VanDerWaalsContact O-N 3.13Å; R559-S563 PolarHBondContact O-N 3.19Å; R559-S563 PolarHBondContact O-OG 3.2Å
560	S	36.6	Very low	31.2	Very low	69 Å²	69	111.5 Å²	111.5	48%	0.483	63%	0.625	S	S	.	*	H	α-helix	trans	-61.1	-15.8	176.6	74.2	0	0	0	0	114.8	E556 L557 F558	E556-S560 VanDerWaalsContact O-CB 3.25Å; E556-S560 WeakPolarHBondContact O-CB 3.31Å; E556-S560 PolarHBondContact O-N 2.66Å; E556-S560 VanDerWaalsContact O-N 3.12Å; E556-S560 PolarHBondContact O-OG 3.44Å; L557-S560 PolarHBondContact O-N 3.2Å; L557-S560 PolarHBondContact O-OG 3.09Å; F558-S560 PolarHBondContact O-N 3.17Å
561	C	33.9	Very low	31	Very low	84 Å²	84	116.2 Å²	116.2	57%	0.568	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-9.9	176.9	-62.7	0	0	0	0	114.5	L557 F558 R559	L557-C561 PolarHBondContact O-N 3.49Å; L557-C561 PolarHBondContact O-SG 3.32Å; F558-C561 PolarHBondContact O-N 3.15Å; R559-C561 PolarHBondContact O-N 3.11Å
562	L	32.6	Very low	30.9	Very low	105 Å²	105	114.3 Å²	114.3	55%	0.55	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133	-9.2	-166.7	-68.3	174.9	0	0	0	115.7	Y454 Y457 F558 R559 D564	Y454-L562 HydrophobicContact CE2-CD2 4.28Å; Y457-L562 HydrophobicContact CE1-CB 4.46Å; Y457-L562 HydrophobicContact CE1-CD1 4.04Å; F558-L562 HydrophobicContact CD1-CD1 3.89Å; F558-L562 HydrophobicContact CE1-CD1 3.39Å; F558-L562 HydrophobicContact CE2-CD1 4.23Å; F558-L562 HydrophobicContact CG-CD1 4.5Å; F558-L562 HydrophobicContact CZ-CD1 3.59Å; R559-L562 PolarHBondContact O-N 3.09Å; R559-L562 VanDerWaalsContact O-N 3.13Å; L562-D564 PolarHBondContact O-N 3.36Å
563	S	29.9	Very low	30.8	Very low	81 Å²	81	116.3 Å²	116.3	57%	0.566	64%	0.644	S	S	*	*			trans	-113	94.2	-179	63.4	0	0	0	0	113.1	R559 V565	R559-S563 PolarHBondContact O-N 3.19Å; R559-S563 PolarHBondContact O-OG 3.2Å; S563-V565 VanDerWaalsContact C-N 3.34Å; S563-V565 PolarHBondContact O-N 3.08Å
564	D	30.7	Very low	30.6	Very low	129.5 Å²	129.5	118 Å²	118	69%	0.693	65%	0.654	S	S	*	*			trans	-77.9	117.2	173.5	-117.8	-25.9	0	0	0	112.4	L562 K601	L562-D564 PolarHBondContact O-N 3.36Å; D564-K601 IonicContact OD2-NZ 3.56Å; D564-K601 PolarHBondContact OD2-NZ 3.14Å
565	V	30.2	Very low	30.3	Very low	107 Å²	107	117.5 Å²	117.5	65%	0.648	67%	0.665	S	S	*	*	S	Bend	trans	-106.5	105.6	-178.9	-177.8	0	0	0	0	111.2	S563 T567	S563-V565 VanDerWaalsContact C-N 3.34Å; S563-V565 PolarHBondContact O-N 3.08Å; V565-T567 HydrophobicContact CG1-CG2 4.22Å; V565-T567 PolarHBondContact O-N 3.27Å
566	S	27.3	Very low	30	Very low	98.5 Å²	98.5	122 Å²	122	69%	0.689	68%	0.682	S	S	*	*			trans	-14.7	78.1	172	51.5	0	0	0	0	115.8	T568	S566-T568 VanDerWaalsContact C-N 3.3Å; S566-T568 PolarHBondContact O-N 3.32Å; S566-T568 PolarHBondContact O-OG1 3.14Å
567	T	25.9	Very low	30.1	Very low	117.5 Å²	117.5	118.7 Å²	118.7	72%	0.721	68%	0.676	S	S	*	*			trans	-91.5	90.5	157.3	48.5	0	0	0	0	110.5	V565 T569	V565-T567 HydrophobicContact CG1-CG2 4.22Å; V565-T567 PolarHBondContact O-N 3.27Å; T567-T569 VanDerWaalsContact C-N 3.3Å; T567-T569 PolarHBondContact O-N 3.28Å
568	T	27.4	Very low	29.8	Very low	111.5 Å²	111.5	119.8 Å²	119.8	68%	0.684	68%	0.682	S	S	*	*			trans	-107.6	71.4	176	-52.4	0	0	0	0	109.8	S566 M570	S566-T568 VanDerWaalsContact C-N 3.3Å; S566-T568 PolarHBondContact O-N 3.32Å; S566-T568 PolarHBondContact O-OG1 3.14Å; T568-M570 HydrophobicContact CG2-CE 4.42Å; T568-M570 HydrophobicContact CG2-CG 4.25Å; T568-M570 PolarHBondContact O-N 3.28Å
569	T	27.2	Very low	29.7	Very low	116.5 Å²	116.5	123 Å²	123	72%	0.715	70%	0.699	S	S	*	*			trans	-70.4	95.1	169.9	39.8	0	0	0	0	109.9	T567 Y571	T567-T569 VanDerWaalsContact C-N 3.3Å; T567-T569 PolarHBondContact O-N 3.28Å; T569-Y571 PolarHBondContact O-N 3.27Å
570	M	28.6	Very low	29.6	Very low	162.5 Å²	162.5	122.9 Å²	122.9	80%	0.8	71%	0.705	S	S	*	*			trans	-70.3	93.1	170.4	-76.9	-73.6	179.5	0	0	109.9	T568 G572	T568-M570 HydrophobicContact CG2-CE 4.42Å; T568-M570 HydrophobicContact CG2-CG 4.25Å; T568-M570 PolarHBondContact O-N 3.28Å; M570-G572 PolarHBondContact O-N 3.19Å
571	Y	26.2	Very low	29.3	Very low	201.5 Å²	201.5	128.7 Å²	128.7	79%	0.79	72%	0.721	S	S	*	*			trans	-66	120.1	160.8	-99.2	-98	0	0	0	108.9	T569	T569-Y571 PolarHBondContact O-N 3.27Å
572	G	29.8	Very low	28.9	Very low	70.5 Å²	70.5	130.3 Å²	130.3	73%	0.727	72%	0.724	S	S	*	*			trans	-135.6	117.3	175.9	0	0	0	0	0	109.1	M570	M570-G572 PolarHBondContact O-N 3.19Å
573	D	28.7	Very low	28.8	Very low	140.5 Å²	140.5	131.1 Å²	131.1	75%	0.751	73%	0.729	S	S	*	*			trans	-72.3	161.6	-162.1	-75.2	-58.2	0	0	0	116.1	A575	D573-A575 PolarHBondContact O-N 3.32Å
574	N	27.9	Very low	28.9	Very low	148.5 Å²	148.5	134.1 Å²	134.1	79%	0.794	73%	0.734	S	S	*	*			trans	3.8	103	168	-65.3	-59	0	0	0	116.1
575	A	28.4	Very low	29	Very low	98 Å²	98	137.4 Å²	137.4	81%	0.81	74%	0.738	S	S	*	*			trans	-138.6	112.2	152.3	0	0	0	0	0	110.7	D573	D573-A575 PolarHBondContact O-N 3.32Å
576	I	29.5	Very low	28.8	Very low	151 Å²	151	139.8 Å²	139.8	77%	0.774	75%	0.746	S	S	*	*			trans	-114.7	137.3	-170.4	-66.7	179	0	0	0	109.1
577	P	33.7	Very low	29.2	Very low	101 Å²	101	139.9 Å²	139.9	66%	0.656	74%	0.744	S	S	*	*				-113.2	173.4	-97.1	37.9	-29.8	0	0	0	114.5
578	N	26.8	Very low	29.1	Very low	151 Å²	151	143.5 Å²	143.5	81%	0.807	75%	0.751	S	S	*	*			trans	129.5	111.2	147.8	-87.2	-30.8	0	0	0	117.7
579	Q	32	Very low	29.1	Very low	194 Å²	194	143.2 Å²	143.2	91%	0.907	75%	0.753	S	S	*	*				-176.7	139.1	127.9	-101.9	170.4	29.6	0	0	110.5
580	H	27.6	Very low	29.1	Very low	143 Å²	143	145.4 Å²	145.4	66%	0.662	76%	0.76	S	S	*	*				-116.9	140.8	-115.8	-126.3	-79	0	0	0	109.5	D582	H580-D582 IonicContact CE1-OD1 3.5Å; H580-D582 PolarHBondContact CE1-OD1 2.94Å; H580-D582 IonicContact CE1-OD2 3.73Å; H580-D582 IonicContact CG-OD2 3.94Å; H580-D582 IonicContact ND1-OD1 3.34Å; H580-D582 PolarHBondContact ND1-OD1 2.87Å; H580-D582 IonicContact ND1-OD2 2.88Å; H580-D582 PolarHBondContact ND1-OD2 2.88Å
581	F	30.1	Very low	29	Very low	191 Å²	191	141 Å²	141	84%	0.838	76%	0.756	S	S	*	*			trans	132.8	150.2	144	-86.5	-58.1	0	0	0	114.5
582	D	27.1	Very low	29	Very low	117 Å²	117	138.7 Å²	138.7	63%	0.626	76%	0.758	S	S	*	*				-131.2	176.3	-94.9	-103.7	-57.6	0	0	0	112.2	H580	H580-D582 IonicContact CE1-OD1 3.5Å; H580-D582 PolarHBondContact CE1-OD1 2.94Å; H580-D582 IonicContact CE1-OD2 3.73Å; H580-D582 IonicContact CG-OD2 3.94Å; H580-D582 IonicContact ND1-OD1 3.34Å; H580-D582 PolarHBondContact ND1-OD1 2.87Å; H580-D582 IonicContact ND1-OD2 2.88Å; H580-D582 PolarHBondContact ND1-OD2 2.88Å
583	D	29.9	Very low	29.1	Very low	121.5 Å²	121.5	144.4 Å²	144.4	65%	0.65	77%	0.765	S	S	*	*			trans	69	115.6	154	-87.9	-27.3	0	0	0	121
584	H	31.4	Very low	29.3	Very low	145 Å²	145	144.9 Å²	144.9	67%	0.671	77%	0.768	S	S	*	*				149.5	132.2	83.2	-88.9	-1.6	0	0	0	117.1
585	Y	32.6	Very low	29.7	Very low	198 Å²	198	142.7 Å²	142.7	78%	0.776	76%	0.764	S	S	*	*			trans	49	108.3	148.6	-64.9	-78.4	0	0	0	124.1
586	L	26.6	Very low	30.2	Very low	157 Å²	157	140.3 Å²	140.3	82%	0.822	74%	0.744	S	S	*	*			trans	-12.7	163.3	131.1	-72.9	158.8	0	0	0	118
587	P	34.9	Very low	31	Very low	100.5 Å²	100.5	140.1 Å²	140.1	65%	0.653	74%	0.74	S	S	*	*			cis	-146.1	167.3	-3.2	39	-19.8	0	0	0	118
588	K	25.6	Very low	31.9	Very low	195 Å²	195	139 Å²	139	85%	0.848	73%	0.731	S	S	*	*			trans	109.1	132.3	137.5	-81.5	170.4	-179.1	-178.9	0	117.9
589	S	26	Very low	33.3	Very low	104.5 Å²	104.5	133.9 Å²	133.9	73%	0.731	71%	0.71	S	S	*	*			trans	-77.1	146.4	139.2	60.3	0	0	0	0	115.3
590	D	26.7	Very low	34.5	Very low	162.5 Å²	162.5	127.7 Å²	127.7	87%	0.869	69%	0.685	S	S	*	*				-79.6	138.1	106.9	-59.7	-46.1	0	0	0	115.9	N592	D590-N592 PolarHBondContact O-N 3.39Å
591	G	26.8	Very low	36.4	Very low	69.5 Å²	69.5	124.5 Å²	124.5	72%	0.716	67%	0.67	S	S	*	*			trans	-124.7	120.8	175.7	0	0	0	0	0	111.8	H593	G591-H593 PolarHBondContact O-N 2.85Å; G591-H593 VanDerWaalsContact O-N 3.14Å
592	N	27.5	Very low	38.8	Very low	154.5 Å²	154.5	117.6 Å²	117.6	83%	0.826	64%	0.644	S	S	*	*			trans	-59.4	127.7	170.7	-78.7	-20.5	0	0	0	110.3	D590 D594	D590-N592 PolarHBondContact O-N 3.39Å; N592-D594 PolarHBondContact O-N 3.18Å
593	H	31.5	Very low	41.6	Very low	190 Å²	190	113.4 Å²	113.4	88%	0.88	62%	0.624	S	S	*	*			trans	-67.1	115.4	158.2	-80.4	-88.8	0	0	0	108.1	G591 S595	G591-H593 PolarHBondContact O-N 2.85Å; G591-H593 VanDerWaalsContact O-N 3.14Å; H593-S595 PolarHBondContact O-N 2.97Å; H593-S595 VanDerWaalsContact O-N 3.1Å
594	D	33.7	Very low	44.5	Very low	150.5 Å²	150.5	110.4 Å²	110.4	81%	0.805	61%	0.607	S	S	*	*			trans	-58.3	126.2	170.7	-75.7	-50.4	0	0	0	109.6	N592 A596	N592-D594 PolarHBondContact O-N 3.18Å; D594-A596 PolarHBondContact O-N 3.04Å; D594-A596 VanDerWaalsContact O-N 3.13Å
595	S	35.3	Very low	47.4	Very low	102.5 Å²	102.5	104.8 Å²	104.8	72%	0.717	58%	0.584	S	S	*	*			trans	-69.6	120.7	-172.6	55.8	0	0	0	0	110.9	H593 Q597	H593-S595 PolarHBondContact O-N 2.97Å; H593-S595 VanDerWaalsContact O-N 3.1Å; S595-Q597 PolarHBondContact O-N 2.93Å
596	A	39.5	Very low	50.2	Low	48 Å²	48	96.8 Å²	96.8	40%	0.397	55%	0.554	S	S	.	*			trans	-52.3	128.2	172.1	0	0	0	0	0	110.3	D594 V598 L815	D594-A596 PolarHBondContact O-N 3.04Å; D594-A596 VanDerWaalsContact O-N 3.13Å; A596-V598 PolarHBondContact O-N 2.8Å; A596-L815 HydrophobicContact CB-CD1 3.69Å; A596-L815 HydrophobicContact CB-CG 4.42Å
597	Q	46.6	Very low	53.4	Low	147 Å²	147	90.9 Å²	90.9	69%	0.687	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.2	-176.9	-66.2	-173.2	1.3	0	0	109.5	S595 A599 V816	S595-Q597 PolarHBondContact O-N 2.93Å; Q597-A599 PolarHBondContact O-N 3.38Å; Q597-V816 PolarHBondContact O-N 2.65Å
598	V	51.8	Low	56.1	Low	78 Å²	78	86.8 Å²	86.8	47%	0.473	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110.3	176.7	-177.6	0	0	0	0	108.6	A596 N813 Y814 L815	A596-V598 PolarHBondContact O-N 2.8Å; V598-N813 HydrophobicContact CG1-CB 4.04Å; V598-Y814 WeakPolarHBondContact CA-O 3.32Å; V598-L815 HydrophobicContact CG2-CD1 3.93Å; V598-L815 HydrophobicContact CG2-CD2 4.05Å
599	A	55.6	Low	59.3	Low	43 Å²	43	78.5 Å²	78.5	36%	0.355	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	38	-178	0	0	0	0	0	112.3	Q597 K601 N813 Y814	Q597-A599 PolarHBondContact O-N 3.38Å; A599-K601 PolarHBondContact O-N 3.48Å; A599-N813 WeakPolarHBondContact O-CA 3.45Å; A599-Y814 HydrophobicContact CB-CD1 4.06Å; A599-Y814 PolarHBondContact N-O 2.94Å; A599-Y814 VanDerWaalsContact N-O 3.14Å; A599-Y814 PolarHBondContact O-N 2.92Å
600	T	58	Low	62.5	Low	63 Å²	63	73.6 Å²	73.6	39%	0.387	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.5	179.9	58.4	0	0	0	0	111.2	F420 Q421 N813 Y814	F420-T600 HydrophobicContact CD1-CG2 4.14Å; Q421-T600 PolarHBondContact NE2-OG1 3.48Å; T600-N813 WeakPolarHBondContact CG2-OD1 3.42Å; T600-Y814 PolarHBondContact O-N 3.44Å; T600-Y814 WeakPolarHBondContact OG1-CB 3.14Å
601	K	67.9	Low	65.7	Low	77 Å²	77	67.7 Å²	67.7	34%	0.335	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-12.6	-179.1	-98.8	178.3	-177.9	159.2	0	112.7	F420 Q421 L422 D564 A599 N812 N813 Y814	F420-K601 PolarHBondContact O-N 3.07Å; Q421-K601 WeakPolarHBondContact CA-O 3.2Å; Q421-K601 HydrophobicContact CG-CB 4.37Å; Q421-K601 WeakPolarHBondContact CG-O 3.43Å; L422-K601 PolarHBondContact N-O 3.23Å; D564-K601 IonicContact OD2-NZ 3.56Å; D564-K601 PolarHBondContact OD2-NZ 3.14Å; A599-K601 PolarHBondContact O-N 3.48Å; K601-N812 PolarHBondContact N-O 3.36Å; K601-N812 VanDerWaalsContact N-O 3.08Å; K601-N813 WeakPolarHBondContact CD-OD1 3.44Å; K601-N813 WeakPolarHBondContact CE-OD1 3.44Å; K601-N813 PolarHBondContact NZ-OD1 3.03Å; K601-Y814 HydrophobicContact CD-CG 4.46Å; K601-Y814 VanDerWaalsContact NZ-CG 3.31Å
602	C	79.4	Confident	69	Low	45.3333 Å²	45.3333	64.4 Å²	64.4	31%	0.306	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.4	176.6	-172.5	0	0	0	0	111.1	L422 S811 N812	L422-C602 CarbonylContact O-C 3.56Å; L422-C602 WeakPolarHBondContact O-CA 3.41Å; C602-S811 CarbonylContact O-C 3.55Å; C602-S811 VanDerWaalsContact O-CA 3.31Å; C602-S811 WeakPolarHBondContact O-CA 3.35Å; C602-N812 HydrophobicContact CB-CB 4.42Å; C602-N812 PolarHBondContact N-O 3.09Å; C602-N812 PolarHBondContact O-N 3.22Å
603	S	86.3	Confident	72.2	Confident	29.3333 Å²	29.3333	60.3 Å²	60.3	21%	0.205	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	135.8	169.9	58.1	0	0	0	0	111.3	L422 R423 L424 L810	L422-S603 PolarHBondContact O-N 3.11Å; L422-S603 PolarHBondContact O-OG 3.05Å; R423-S603 CarbonylContact C-O 3.55Å; R423-S603 VanDerWaalsContact CA-O 3.26Å; R423-S603 WeakPolarHBondContact CA-O 3.4Å; R423-S603 WeakPolarHBondContact CG-OG 3.42Å; L424-S603 PolarHBondContact N-O 3.31Å; S603-L810 CarbonylContact C-O 3.55Å; S603-L810 VanDerWaalsContact CA-O 3.24Å; S603-L810 WeakPolarHBondContact CA-O 3.36Å
604	M	90.1	Very high	75.2	Confident	58.6667 Å²	58.6667	51.2 Å²	51.2	29%	0.289	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136	175	-172.5	175.1	86.4	0	0	109.9	L424 L606 E809 L810	L424-M604 HydrophobicContact CB-CG 4.25Å; L424-M604 HydrophobicContact CD2-CG 4.18Å; L424-M604 HydrophobicContact CD2-SD 3.98Å; L424-M604 HydrophobicContact CG-CG 4.19Å; L424-M604 HydrophobicContact CG-SD 4.41Å; L424-M604 CarbonylContact O-C 3.54Å; L424-M604 VanDerWaalsContact O-CA 3.27Å; L424-M604 WeakPolarHBondContact O-CA 3.29Å; M604-L606 HydrophobicContact CE-CB 4.18Å; M604-L606 HydrophobicContact CE-CD2 4.28Å; M604-E809 CarbonylContact O-C 3.56Å; M604-E809 WeakPolarHBondContact O-CA 3.26Å; M604-L810 HydrophobicContact CB-CB 4.33Å; M604-L810 HydrophobicContact CB-CD1 4.48Å; M604-L810 HydrophobicContact CE-CD1 3.72Å; M604-L810 HydrophobicContact CE-CG 4.33Å; M604-L810 PolarHBondContact N-O 3.24Å; M604-L810 PolarHBondContact O-N 3.22Å
605	S	92	Very high	78.1	Confident	26 Å²	26	44.3 Å²	44.3	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.8	167.9	59	0	0	0	0	109.2	L424 H425 V426 V808	L424-S605 PolarHBondContact O-N 2.89Å; H425-S605 CarbonylContact C-O 3.57Å; H425-S605 VanDerWaalsContact CA-O 3.32Å; H425-S605 WeakPolarHBondContact CA-O 3.42Å; H425-S605 PolarHBondContact CD2-OG 3.34Å; V426-S605 PolarHBondContact N-O 2.83Å; S605-V808 CarbonylContact C-O 3.55Å; S605-V808 VanDerWaalsContact CA-O 3.27Å; S605-V808 WeakPolarHBondContact CA-O 3.37Å
606	L	92.3	Very high	80.8	Confident	30.6667 Å²	30.6667	39.5 Å²	39.5	16%	0.161	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.4	-173.2	165.1	66.1	0	0	0	109.4	V426 L428 M604 I608 V808	V426-L606 HydrophobicContact CB-CB 4.46Å; V426-L606 HydrophobicContact CB-CD1 3.73Å; V426-L606 HydrophobicContact CG1-CD1 3.71Å; V426-L606 CarbonylContact O-C 3.57Å; V426-L606 VanDerWaalsContact O-CA 3.31Å; V426-L606 WeakPolarHBondContact O-CA 3.37Å; L428-L606 HydrophobicContact CD1-CD1 3.97Å; L428-L606 HydrophobicContact CG-CD1 4.01Å; M604-L606 HydrophobicContact CE-CB 4.18Å; M604-L606 HydrophobicContact CE-CD2 4.28Å; L606-I608 HydrophobicContact CD1-CD1 4.33Å; L606-I608 HydrophobicContact CD1-CG1 4Å; L606-I608 HydrophobicContact CD2-CD1 4.15Å; L606-I608 HydrophobicContact CD2-CG1 4.43Å; L606-I608 HydrophobicContact CG-CD1 4.24Å; L606-I608 HydrophobicContact CG-CG1 4.01Å; L606-V808 HydrophobicContact CB-CB 4.12Å; L606-V808 HydrophobicContact CB-CG1 4.5Å; L606-V808 HydrophobicContact CD2-CB 4.34Å; L606-V808 HydrophobicContact CD2-CG1 4.5Å; L606-V808 HydrophobicContact CG-CB 4.44Å; L606-V808 PolarHBondContact N-O 3Å; L606-V808 WeakPolarHBondContact O-CB 3.21Å; L606-V808 PolarHBondContact O-N 2.97Å
607	N	93	Very high	83.2	Confident	32.6667 Å²	32.6667	37.8 Å²	37.8	18%	0.175	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.2	171.4	-56.1	-51	0	0	0	109.2	H425 V426 D427 L428 W806 H807	H425-N607 PolarHBondContact CE1-ND2 3.08Å; H425-N607 VanDerWaalsContact CE1-ND2 3.35Å; V426-N607 PolarHBondContact O-N 2.92Å; D427-N607 WeakPolarHBondContact OD1-CB 3.23Å; D427-N607 PolarHBondContact OD1-ND2 2.97Å; L428-N607 PolarHBondContact N-O 2.84Å; N607-W806 CarbonylContact C-O 3.5Å; N607-W806 VanDerWaalsContact CA-O 3.31Å; N607-W806 WeakPolarHBondContact CA-O 3.36Å; N607-H807 PolarHBondContact OD1-CD2 3.24Å; N607-H807 PolarHBondContact OD1-ND1 3.18Å
608	I	92.8	Very high	84.8	Confident	16 Å²	16	32.8 Å²	32.8	8%	0.082	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	121.8	176.5	-43.4	176.5	0	0	0	108.9	L428 V431 L606 I611 L805 W806	L428-I608 HydrophobicContact CB-CB 4.47Å; L428-I608 HydrophobicContact CB-CG1 4.35Å; L428-I608 HydrophobicContact CB-CG2 4.12Å; L428-I608 HydrophobicContact CD1-CG1 4.35Å; L428-I608 WeakPolarHBondContact O-CA 3.32Å; V431-I608 HydrophobicContact CG2-CG2 3.9Å; L606-I608 HydrophobicContact CD1-CD1 4.33Å; L606-I608 HydrophobicContact CD1-CG1 4Å; L606-I608 HydrophobicContact CD2-CD1 4.15Å; L606-I608 HydrophobicContact CD2-CG1 4.43Å; L606-I608 HydrophobicContact CG-CD1 4.24Å; L606-I608 HydrophobicContact CG-CG1 4.01Å; I608-I611 HydrophobicContact CD1-CD1 3.92Å; I608-I611 HydrophobicContact CD1-CG1 4.43Å; I608-I611 HydrophobicContact CG2-CD1 4.3Å; I608-I611 HydrophobicContact CG2-CG1 3.79Å; I608-L805 CarbonylContact O-C 3.4Å; I608-L805 WeakPolarHBondContact O-CA 3.4Å; I608-W806 HydrophobicContact CB-CB 4.07Å; I608-W806 HydrophobicContact CB-CG 4.36Å; I608-W806 HydrophobicContact CD1-CB 4.42Å; I608-W806 HydrophobicContact CD1-CE3 4.34Å; I608-W806 HydrophobicContact CG1-CB 4.28Å; I608-W806 PolarHBondContact N-O 3.01Å; I608-W806 PolarHBondContact O-N 3.33Å
609	L	92.3	Very high	86.1	Confident	20.3333 Å²	20.3333	29.8 Å²	29.8	11%	0.106	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-49.4	-177.4	177.7	61.9	0	0	0	111.9	L428 P430 I766 R768 W781 L805	L428-L609 PolarHBondContact O-N 2.82Å; P430-L609 HydrophobicContact CG-CD2 4.09Å; L609-I766 HydrophobicContact CD2-CG2 4.2Å; L609-I766 HydrophobicContact CG-CG2 4.43Å; L609-R768 HydrophobicContact CD1-CB 3.87Å; L609-R768 HydrophobicContact CD1-CG 3.99Å; L609-W781 HydrophobicContact CD1-CH2 3.88Å; L609-W781 HydrophobicContact CD1-CZ2 4.27Å; L609-W781 HydrophobicContact CG-CH2 4.17Å; L609-W781 WeakPolarHBondContact O-CH2 3.33Å; L609-L805 HydrophobicContact CD1-CD2 4.02Å; L609-L805 PolarHBondContact O-N 2.89Å
610	C	93	Very high	87	Confident	0.333333 Å²	0.333333	29.9 Å²	29.9	0%	0.002	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	143.7	-179	-179.1	0	0	0	0	110.1	P430 V431 I766 W781 L785 G803	P430-C610 HydrophobicContact CB-CB 4.26Å; V431-C610 PolarHBondContact N-O 3.11Å; C610-I766 HydrophobicContact CB-CG2 4.21Å; C610-W781 HydrophobicContact CB-CH2 4.27Å; C610-L785 HydrophobicContact CB-CD1 4.43Å; C610-G803 CarbonylContact C-O 3.55Å; C610-G803 WeakPolarHBondContact CA-O 3.41Å
611	I	94.4	Very high	87.4	Confident	38.3333 Å²	38.3333	29.8 Å²	29.8	20%	0.197	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.1	164	-57.2	-172.6	0	0	0	107.5	V431 I608 F801 V802 G803 W806	V431-I611 HydrophobicContact CB-CG1 4.26Å; V431-I611 HydrophobicContact CB-CG2 4.48Å; V431-I611 HydrophobicContact CG2-CG1 4.34Å; V431-I611 CarbonylContact O-C 3.55Å; V431-I611 WeakPolarHBondContact O-CA 3.22Å; I608-I611 HydrophobicContact CD1-CD1 3.92Å; I608-I611 HydrophobicContact CD1-CG1 4.43Å; I608-I611 HydrophobicContact CG2-CD1 4.3Å; I608-I611 HydrophobicContact CG2-CG1 3.79Å; I611-F801 HydrophobicContact CG2-CE1 4.43Å; I611-V802 CarbonylContact O-C 3.54Å; I611-V802 WeakPolarHBondContact O-CA 3.33Å; I611-G803 PolarHBondContact N-O 2.99Å; I611-G803 PolarHBondContact O-N 3.13Å; I611-W806 HydrophobicContact CB-CZ2 4.12Å; I611-W806 HydrophobicContact CD1-CD2 4.06Å; I611-W806 HydrophobicContact CD1-CE3 4.03Å; I611-W806 HydrophobicContact CD1-CG 4.48Å; I611-W806 HydrophobicContact CD1-CH2 4.01Å; I611-W806 HydrophobicContact CD1-CZ2 4.02Å; I611-W806 HydrophobicContact CD1-CZ3 4Å; I611-W806 VanDerWaalsContact CD1-CZ3 3.5Å; I611-W806 HydrophobicContact CG1-CD2 4.49Å; I611-W806 HydrophobicContact CG1-CE3 4.47Å; I611-W806 HydrophobicContact CG1-CZ2 4.23Å
612	A	95.2	Very high	87.3	Confident	1.66667 Å²	1.66667	28.8 Å²	28.8	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.8	174.8	0	0	0	0	0	110.9	V431 V432 A433 F789 F801 V802	V431-A612 PolarHBondContact O-N 3.15Å; V432-A612 WeakPolarHBondContact CA-O 3.37Å; V432-A612 HydrophobicContact CG1-CB 4.41Å; V432-A612 HydrophobicContact CG2-CB 4.33Å; A433-A612 PolarHBondContact N-O 2.8Å; A612-F789 HydrophobicContact CB-CD1 4.25Å; A612-F789 HydrophobicContact CB-CD2 3.76Å; A612-F789 HydrophobicContact CB-CE1 3.85Å; A612-F789 HydrophobicContact CB-CE2 3.31Å; A612-F789 HydrophobicContact CB-CG 4.21Å; A612-F789 HydrophobicContact CB-CZ 3.35Å; A612-F801 CarbonylContact C-O 3.57Å; A612-F801 VanDerWaalsContact CA-O 3.31Å; A612-F801 WeakPolarHBondContact CA-O 3.41Å; A612-V802 HydrophobicContact CB-CG2 4.23Å
613	F	95.7	Very high	86.2	Confident	67.6667 Å²	67.6667	28.2 Å²	28.2	30%	0.297	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	127.7	-179.9	-177.5	-118	0	0	0	111.3	A433 A435 F440 A615 F801	A433-F613 HydrophobicContact CB-CD2 3.92Å; A433-F613 WeakPolarHBondContact O-CA 3.32Å; A435-F613 HydrophobicContact CB-CE2 4.17Å; A435-F613 HydrophobicContact CB-CZ 4.16Å; F440-F613 HydrophobicContact CE1-CE1 4.2Å; F440-F613 AromaticContact CE1-CZ 3.81Å; F440-F613 HydrophobicContact CE1-CZ 3.81Å; F440-F613 AromaticContact CZ-CE1 3.97Å; F440-F613 HydrophobicContact CZ-CE1 3.99Å; F440-F613 AromaticContact CZ-CZ 3.61Å; F440-F613 HydrophobicContact CZ-CZ 3.61Å; F613-A615 HydrophobicContact CE1-CB 3.93Å; F613-A615 HydrophobicContact CZ-CB 4.33Å; F613-F801 HydrophobicContact CB-CB 4.34Å; F613-F801 HydrophobicContact CB-CD1 4.34Å; F613-F801 PolarHBondContact N-O 2.99Å; F613-F801 PolarHBondContact O-N 2.93Å
614	V	95	Very high	84.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113	179.9	173.2	0	0	0	0	110	A433 C434 A435 F616 F723 A793 H798 L799	A433-V614 PolarHBondContact O-N 2.91Å; C434-V614 CarbonylContact C-O 3.55Å; C434-V614 WeakPolarHBondContact CA-O 3.39Å; C434-V614 HydrophobicContact CB-CB 3.86Å; C434-V614 HydrophobicContact CB-CG1 4.34Å; C434-V614 VanDerWaalsContact CB-O 3.29Å; C434-V614 WeakPolarHBondContact CB-O 3.32Å; A435-V614 PolarHBondContact N-O 2.86Å; V614-F616 HydrophobicContact CG1-CD1 4.21Å; V614-F616 HydrophobicContact CG1-CD2 4.42Å; V614-F616 HydrophobicContact CG1-CE1 3.86Å; V614-F616 HydrophobicContact CG1-CE2 4.26Å; V614-F616 HydrophobicContact CG1-CZ 3.84Å; V614-F723 HydrophobicContact CB-CE2 4.42Å; V614-F723 HydrophobicContact CB-CZ 4.44Å; V614-F723 HydrophobicContact CG2-CE2 3.87Å; V614-F723 HydrophobicContact CG2-CZ 3.95Å; V614-A793 HydrophobicContact CG1-CB 4.16Å; V614-H798 HydrophobicContact CG1-CB 4.01Å; V614-L799 CarbonylContact C-O 3.56Å; V614-L799 WeakPolarHBondContact CA-O 3.37Å
615	A	94.2	Very high	82.5	Confident	4.33333 Å²	4.33333	36.1 Å²	36.1	4%	0.036	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110.8	178.3	0	0	0	0	0	110.3	A435 F440 F613 H798 L799 I959	A435-A615 WeakPolarHBondContact O-CA 3.34Å; F440-A615 HydrophobicContact CE2-CB 4.24Å; F440-A615 HydrophobicContact CZ-CB 3.88Å; F613-A615 HydrophobicContact CE1-CB 3.93Å; F613-A615 HydrophobicContact CZ-CB 4.33Å; A615-H798 CarbonylContact O-C 3.54Å; A615-H798 WeakPolarHBondContact O-CA 3.25Å; A615-H798 VanDerWaalsContact O-CB 3.31Å; A615-H798 WeakPolarHBondContact O-CB 3.38Å; A615-L799 HydrophobicContact CB-CB 4.36Å; A615-L799 PolarHBondContact N-O 3.26Å; A615-L799 PolarHBondContact O-N 3.29Å; A615-I959 HydrophobicContact CB-CD1 4.18Å
616	F	92.1	Very high	80.4	Confident	1.66667 Å²	1.66667	42 Å²	42	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	149.7	-178.5	-62.1	-70.2	0	0	0	112	C434 A435 Y436 P437 V614 P720 F723 A793 R796 H798	C434-F616 HydrophobicContact CB-CE2 4.08Å; C434-F616 HydrophobicContact CB-CZ 4.46Å; A435-F616 WeakPolarHBondContact O-CD2 3.43Å; A435-F616 PolarHBondContact O-N 2.85Å; Y436-F616 HydrophobicContact CD1-CB 3.6Å; Y436-F616 AromaticContact CD1-CD2 3.91Å; Y436-F616 HydrophobicContact CD1-CD2 3.91Å; Y436-F616 AromaticContact CD1-CG 3.98Å; Y436-F616 HydrophobicContact CD1-CG 4.09Å; Y436-F616 HydrophobicContact CE1-CB 3.79Å; Y436-F616 AromaticContact CE1-CD2 3.9Å; Y436-F616 HydrophobicContact CE1-CD2 3.9Å; Y436-F616 AromaticContact CE1-CG 3.95Å; Y436-F616 HydrophobicContact CE1-CG 3.99Å; Y436-F616 HydrophobicContact CG-CD2 4.32Å; P437-F616 WeakPolarHBondContact CD-O 3.32Å; P437-F616 WeakPolarHBondContact CG-O 3.42Å; V614-F616 HydrophobicContact CG1-CD1 4.21Å; V614-F616 HydrophobicContact CG1-CD2 4.42Å; V614-F616 HydrophobicContact CG1-CE1 3.86Å; V614-F616 HydrophobicContact CG1-CE2 4.26Å; V614-F616 HydrophobicContact CG1-CZ 3.84Å; F616-P720 HydrophobicContact CE2-CG 4.22Å; F616-F723 HydrophobicContact CZ-CB 4.35Å; F616-A793 HydrophobicContact CE1-CB 3.98Å; F616-A793 HydrophobicContact CZ-CB 4.14Å; F616-R796 HydrophobicContact CD1-CB 3.5Å; F616-R796 VanDerWaalsContact CD1-CB 3.42Å; F616-R796 HydrophobicContact CD1-CG 4.05Å; F616-R796 HydrophobicContact CE1-CB 3.77Å; F616-R796 HydrophobicContact CE1-CG 4.16Å; F616-R796 HydrophobicContact CG-CB 4.48Å; F616-H798 HydrophobicContact CD1-CB 4.02Å; F616-H798 HydrophobicContact CE1-CB 4.3Å
617	Y	88.4	Confident	78.3	Confident	13 Å²	13	44.2 Å²	44.2	5%	0.051	22%	0.217	C	C	.	.	S	Bend	trans	-84.9	-24.4	-178.3	-69.1	-0.9	0	0	0	114.4	P437 D797 H798 L799 E845 L847 R955 I956 R958 I959	P437-Y617 WeakPolarHBondContact CG-O 3.33Å; Y617-D797 HydrophobicContact CD2-CB 3.79Å; Y617-D797 HydrophobicContact CE2-CB 4.24Å; Y617-D797 HydrophobicContact CG-CB 4.33Å; Y617-D797 PolarHBondContact N-O 3.24Å; Y617-D797 VanDerWaalsContact N-O 3.09Å; Y617-H798 VanDerWaalsContact CE1-C 3.41Å; Y617-L799 HydrophobicContact CE1-CB 4.39Å; Y617-L799 HydrophobicContact CE1-CD1 4.26Å; Y617-L799 HydrophobicContact CE1-CD2 4.44Å; Y617-L799 HydrophobicContact CE1-CG 3.92Å; Y617-L799 WeakPolarHBondContact OH-CD2 3.42Å; Y617-E845 HydrophobicContact CE2-CG 4.41Å; Y617-E845 WeakPolarHBondContact OH-CG 3.26Å; Y617-E845 PolarHBondContact OH-OE1 3.22Å; Y617-L847 HydrophobicContact CE2-CD2 3.94Å; Y617-R955 HydrophobicContact CD2-CB 4.24Å; Y617-R955 HydrophobicContact CE2-CB 3.9Å; Y617-I956 HydrophobicContact CD1-CG2 4.38Å; Y617-I956 HydrophobicContact CE1-CG2 3.7Å; Y617-I956 HydrophobicContact CE2-CG2 4.37Å; Y617-R958 PolarHBondContact O-NH1 2.98Å; Y617-I959 HydrophobicContact CD1-CD1 4.17Å; Y617-I959 HydrophobicContact CE1-CD1 4.32Å
618	E	81.3	Confident	76.2	Confident	41.6667 Å²	41.6667	45.8 Å²	45.8	20%	0.195	23%	0.225	C	C	.	.	S	Bend	trans	-128.7	130.5	-177.6	-59.8	-159.4	112.4	0	0	111.4	Y436 R796 R958 R1382 H1385	Y436-E618 VanDerWaalsContact CD1-O 3.25Å; Y436-E618 WeakPolarHBondContact CD1-O 3.06Å; Y436-E618 VanDerWaalsContact CE1-O 3.24Å; Y436-E618 WeakPolarHBondContact CE1-O 3.4Å; E618-R796 IonicContact OE2-NH1 3.59Å; E618-R796 PolarHBondContact OE2-NH1 3.28Å; E618-R958 IonicContact OE1-CZ 2.92Å; E618-R958 IonicContact OE1-NH1 3.1Å; E618-R958 PolarHBondContact OE1-NH1 3.16Å; E618-R958 IonicContact OE1-NH2 3.07Å; E618-R958 PolarHBondContact OE1-NH2 3.06Å; E618-R1382 WeakPolarHBondContact OE1-CB 3.28Å; E618-R1382 PolarHBondContact OE1-N 2.81Å; E618-H1385 IonicContact OE2-CD2 2.96Å; E618-H1385 IonicContact OE2-NE2 3.95Å
619	D	78.6	Confident	73.8	Confident	14.3333 Å²	14.3333	48.3 Å²	48.3	8%	0.077	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-67	140.5	166	-59	-76.3	0	0	0	111.2	P437 S438 R958 R1401 Y1402	P437-D619 WeakPolarHBondContact CB-OD2 3.46Å; P437-D619 WeakPolarHBondContact CD-OD1 3.3Å; P437-D619 WeakPolarHBondContact CG-OD2 3.43Å; S438-D619 WeakPolarHBondContact CB-OD1 3.39Å; S438-D619 PolarHBondContact N-OD1 3.44Å; S438-D619 PolarHBondContact OG-OD1 3.16Å; D619-R958 IonicContact OD2-NH1 2.96Å; D619-R958 PolarHBondContact OD2-NH1 2.72Å; D619-R1401 HydrophobicContact CB-CB 3.78Å; D619-R1401 HydrophobicContact CB-CG 3.74Å; D619-R1401 VanDerWaalsContact O-CD 3.26Å; D619-R1401 WeakPolarHBondContact O-CD 3.28Å; D619-Y1402 HydrophobicContact CB-CE1 4.37Å
620	E	73.8	Confident	71.2	Confident	46.6667 Å²	46.6667	53.8 Å²	53.8	22%	0.218	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-92.3	148.9	174.6	-120.3	143.3	-123.4	0	0	111.6	Y436 V622 P718 G719 R796 H1400 R1401	Y436-E620 WeakPolarHBondContact OH-CB 3.42Å; Y436-E620 PolarHBondContact OH-OE1 3.22Å; E620-V622 PolarHBondContact O-N 3.06Å; E620-P718 HydrophobicContact CB-CG 3.74Å; E620-P718 VanDerWaalsContact CD-CB 3.44Å; E620-P718 HydrophobicContact CG-CB 4.44Å; E620-P718 HydrophobicContact CG-CG 4.33Å; E620-P718 WeakPolarHBondContact OE1-CA 3.4Å; E620-P718 WeakPolarHBondContact OE1-CB 3.48Å; E620-P718 VanDerWaalsContact OE2-CA 3.24Å; E620-P718 WeakPolarHBondContact OE2-CA 2.99Å; E620-P718 VanDerWaalsContact OE2-CB 3.25Å; E620-P718 WeakPolarHBondContact OE2-CB 3.44Å; E620-P718 WeakPolarHBondContact OE2-CG 3.33Å; E620-G719 PolarHBondContact OE2-N 2.85Å; E620-R796 WeakPolarHBondContact OE1-CG 3.18Å; E620-R796 IonicContact OE1-CZ 2.99Å; E620-R796 IonicContact OE1-NE 2.98Å; E620-R796 PolarHBondContact OE1-NE 3.47Å; E620-R796 IonicContact OE1-NH1 2.73Å; E620-R796 PolarHBondContact OE1-NH1 3.34Å; E620-R796 VanDerWaalsContact OE1-NH1 3.08Å; E620-R796 IonicContact OE1-NH2 3.27Å; E620-R796 PolarHBondContact OE1-NH2 2.82Å; E620-R796 IonicContact OE2-CZ 2.94Å; E620-R796 IonicContact OE2-NE 3.74Å; E620-R796 PolarHBondContact OE2-NE 2.97Å; E620-R796 IonicContact OE2-NH1 3.72Å; E620-R796 IonicContact OE2-NH2 3.38Å; E620-R796 PolarHBondContact OE2-NH2 2.82Å; E620-H1400 PolarHBondContact O-CE1 3.49Å; E620-R1401 VanDerWaalsContact O-CD 3.26Å; E620-R1401 WeakPolarHBondContact O-CD 3.48Å; E620-R1401 WeakPolarHBondContact O-CG 3.35Å
621	S	67.6	Low	68.6	Low	60.6667 Å²	60.6667	55 Å²	55	42%	0.424	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-64.2	130.6	169.8	49.4	0	0	0	0	110.4	L623 C1387	S621-L623 PolarHBondContact O-N 2.79Å; S621-C1387 PolarHBondContact OG-SG 2.99Å
622	V	65.5	Low	65.9	Low	56 Å²	56	58.3 Å²	58.3	34%	0.339	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-55.4	133.4	171.3	176.5	0	0	0	0	110.1	E620 A715 L717 H1400	E620-V622 PolarHBondContact O-N 3.06Å; V622-A715 HydrophobicContact CG1-CB 3.72Å; V622-A715 VanDerWaalsContact CG1-CB 3.49Å; V622-A715 WeakPolarHBondContact CG1-O 3.44Å; V622-L717 HydrophobicContact CB-CD2 4.48Å; V622-L717 HydrophobicContact CG2-CD2 3.72Å; V622-L717 HydrophobicContact CG2-CG 4.49Å; V622-H1400 HydrophobicContact CG2-CB 4.44Å
623	L	57.1	Low	62.9	Low	32 Å²	32	63.8 Å²	63.8	17%	0.168	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-79.2	134	175.5	-64.1	173.1	0	0	0	110.8	S621 Q627 I628 F634 I716 L717 P718	S621-L623 PolarHBondContact O-N 2.79Å; L623-Q627 HydrophobicContact CB-CB 4.32Å; L623-Q627 HydrophobicContact CD2-CB 4.06Å; L623-I628 HydrophobicContact CB-CD1 4.34Å; L623-I628 HydrophobicContact CB-CG1 3.82Å; L623-I628 HydrophobicContact CD1-CB 4.41Å; L623-I628 HydrophobicContact CD1-CD1 4.23Å; L623-I628 HydrophobicContact CD1-CG1 3.79Å; L623-I628 HydrophobicContact CG-CG1 4.26Å; L623-F634 HydrophobicContact CD1-CD2 4.49Å; L623-F634 HydrophobicContact CD1-CE2 4.41Å; L623-F634 HydrophobicContact CD2-CE2 4.15Å; L623-F634 HydrophobicContact CD2-CZ 4.38Å; L623-I716 HydrophobicContact CD2-CG2 3.87Å; L623-I716 PolarHBondContact N-O 3.31Å; L623-I716 PolarHBondContact O-N 3.44Å; L623-L717 HydrophobicContact CD1-CD1 3.25Å; L623-L717 HydrophobicContact CD1-CD2 3.38Å; L623-L717 HydrophobicContact CD1-CG 3.75Å; L623-L717 HydrophobicContact CD2-CD1 3.54Å; L623-L717 HydrophobicContact CD2-CD2 3.67Å; L623-L717 HydrophobicContact CD2-CG 3.65Å; L623-L717 HydrophobicContact CG-CD1 3.86Å; L623-L717 HydrophobicContact CG-CD2 3.5Å; L623-L717 HydrophobicContact CG-CG 3.97Å; L623-P718 HydrophobicContact CD1-CB 3.91Å; L623-P718 HydrophobicContact CD2-CB 4.35Å; L623-P718 HydrophobicContact CG-CB 4.04Å; L623-P718 HydrophobicContact CG-CG 4.4Å
624	T	52	Low	60	Low	63.3333 Å²	63.3333	66.8 Å²	66.8	39%	0.389	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-71.3	158.1	166.4	66.4	0	0	0	0	111.1	E626 Q627 I628 T714	T624-E626 PolarHBondContact O-N 3.32Å; T624-E626 VanDerWaalsContact O-N 3.09Å; T624-Q627 VanDerWaalsContact N-OE1 3.13Å; T624-Q627 CarbonylContact O-C 3.55Å; T624-Q627 PolarHBondContact O-N 2.95Å; T624-Q627 VanDerWaalsContact O-N 3.08Å; T624-Q627 VanDerWaalsContact OG1-CD 3.31Å; T624-Q627 WeakPolarHBondContact OG1-CG 3.32Å; T624-Q627 PolarHBondContact OG1-N 3.15Å; T624-Q627 PolarHBondContact OG1-OE1 2.83Å; T624-I628 VanDerWaalsContact O-CG1 3.31Å; T624-I628 WeakPolarHBondContact O-CG1 3.48Å; T624-I628 PolarHBondContact O-N 2.99Å; T624-T714 CarbonylContact C-O 3.56Å; T624-T714 WeakPolarHBondContact CA-O 3.3Å
625	R	46.1	Very low	57.1	Low	191 Å²	191	70.3 Å²	70.3	72%	0.721	37%	0.374	S	S	*	.	H	α-helix	trans	-53.7	-31	177.1	-173.3	175.8	-178.3	169.4	2.4	113.6	I628 A629 T714	R625-I628 PolarHBondContact O-N 2.88Å; R625-A629 WeakPolarHBondContact O-CB 3.42Å; R625-A629 PolarHBondContact O-N 2.85Å; R625-A629 VanDerWaalsContact O-N 3.08Å; R625-T714 PolarHBondContact N-O 2.57Å
626	E	47.1	Very low	54	Low	149.667 Å²	149.667	72.8 Å²	72.8	70%	0.699	39%	0.394	S	S	*	.	H	α-helix	trans	-71.3	-47.7	177.1	-63.6	164.2	165.1	0	0	110.7	T624 I628 A629 E630	T624-E626 PolarHBondContact O-N 3.32Å; T624-E626 VanDerWaalsContact O-N 3.09Å; E626-I628 VanDerWaalsContact C-N 3.29Å; E626-I628 PolarHBondContact O-N 2.99Å; E626-A629 WeakPolarHBondContact O-CB 3.32Å; E626-A629 PolarHBondContact O-N 3.15Å; E626-A629 VanDerWaalsContact O-N 3.1Å; E626-E630 PolarHBondContact O-N 3.02Å; E626-E630 VanDerWaalsContact O-N 3.08Å
627	Q	49.7	Very low	51	Low	76.3333 Å²	76.3333	75 Å²	75	36%	0.357	41%	0.409	S	S	.	.	H	α-helix	trans	-65	-24.9	174.5	-66.5	169.4	-21.3	0	0	113.1	L623 T624 G631	L623-Q627 HydrophobicContact CB-CB 4.32Å; L623-Q627 HydrophobicContact CD2-CB 4.06Å; T624-Q627 VanDerWaalsContact N-OE1 3.13Å; T624-Q627 CarbonylContact O-C 3.55Å; T624-Q627 PolarHBondContact O-N 2.95Å; T624-Q627 VanDerWaalsContact O-N 3.08Å; T624-Q627 VanDerWaalsContact OG1-CD 3.31Å; T624-Q627 WeakPolarHBondContact OG1-CG 3.32Å; T624-Q627 PolarHBondContact OG1-N 3.15Å; T624-Q627 PolarHBondContact OG1-OE1 2.83Å; Q627-G631 WeakPolarHBondContact O-CA 3.33Å; Q627-G631 PolarHBondContact O-N 2.95Å
628	I	49	Very low	48.2	Very low	67 Å²	67	79 Å²	79	34%	0.344	44%	0.439	S	S	.	.	H	α-helix	trans	-71.5	-40.7	170.7	-66.5	166.5	0	0	0	110.7	L623 T624 R625 E626 E630 G631 T632 I716	L623-I628 HydrophobicContact CB-CD1 4.34Å; L623-I628 HydrophobicContact CB-CG1 3.82Å; L623-I628 HydrophobicContact CD1-CB 4.41Å; L623-I628 HydrophobicContact CD1-CD1 4.23Å; L623-I628 HydrophobicContact CD1-CG1 3.79Å; L623-I628 HydrophobicContact CG-CG1 4.26Å; T624-I628 VanDerWaalsContact O-CG1 3.31Å; T624-I628 WeakPolarHBondContact O-CG1 3.48Å; T624-I628 PolarHBondContact O-N 2.99Å; R625-I628 PolarHBondContact O-N 2.88Å; E626-I628 VanDerWaalsContact C-N 3.29Å; E626-I628 PolarHBondContact O-N 2.99Å; I628-E630 PolarHBondContact O-N 3.25Å; I628-G631 PolarHBondContact O-N 3.11Å; I628-G631 VanDerWaalsContact O-N 3.11Å; I628-T632 HydrophobicContact CG2-CG2 4.11Å; I628-T632 WeakPolarHBondContact O-CB 3.45Å; I628-T632 WeakPolarHBondContact O-CG2 3.28Å; I628-T632 PolarHBondContact O-N 3.41Å; I628-T632 PolarHBondContact O-OG1 3.45Å; I628-I716 HydrophobicContact CD1-CB 4.18Å; I628-I716 HydrophobicContact CD1-CD1 4.03Å; I628-I716 HydrophobicContact CD1-CG1 4.15Å
629	A	41.1	Very low	45.8	Very low	67.6667 Å²	67.6667	80.7 Å²	80.7	56%	0.559	46%	0.456	S	S	*	.	H	α-helix	trans	-66.1	-41.9	177.6	0	0	0	0	0	111.9	R625 E626 G631 T632	R625-A629 WeakPolarHBondContact O-CB 3.42Å; R625-A629 PolarHBondContact O-N 2.85Å; R625-A629 VanDerWaalsContact O-N 3.08Å; E626-A629 WeakPolarHBondContact O-CB 3.32Å; E626-A629 PolarHBondContact O-N 3.15Å; E626-A629 VanDerWaalsContact O-N 3.1Å; A629-G631 VanDerWaalsContact C-N 3.31Å; A629-G631 PolarHBondContact O-N 3.32Å; A629-T632 WeakPolarHBondContact CA-OG1 3.37Å; A629-T632 PolarHBondContact O-OG1 3.17Å; A629-T632 VanDerWaalsContact O-OG1 3.13Å
630	E	38.1	Very low	43.3	Very low	136.333 Å²	136.333	85.8 Å²	85.8	64%	0.637	48%	0.483	S	S	*	.	H	α-helix	trans	-74.8	-26	173.3	-63.2	-174	161.6	0	0	112.6	E626 I628 T632 L633 F634	E626-E630 PolarHBondContact O-N 3.02Å; E626-E630 VanDerWaalsContact O-N 3.08Å; I628-E630 PolarHBondContact O-N 3.25Å; E630-T632 VanDerWaalsContact C-N 3.31Å; E630-T632 PolarHBondContact O-N 2.91Å; E630-L633 WeakPolarHBondContact O-CA 3.2Å; E630-L633 WeakPolarHBondContact O-CB 3.38Å; E630-L633 PolarHBondContact O-N 2.82Å; E630-F634 PolarHBondContact O-N 2.93Å
631	G	38.6	Very low	41.1	Very low	25 Å²	25	91 Å²	91	26%	0.258	51%	0.509	S	S	.	.	H	α-helix	trans	-67.6	-23.6	-176.3	0	0	0	0	0	114.8	Q627 I628 A629 L633 F634	Q627-G631 WeakPolarHBondContact O-CA 3.33Å; Q627-G631 PolarHBondContact O-N 2.95Å; I628-G631 PolarHBondContact O-N 3.11Å; I628-G631 VanDerWaalsContact O-N 3.11Å; A629-G631 VanDerWaalsContact C-N 3.31Å; A629-G631 PolarHBondContact O-N 3.32Å; G631-L633 VanDerWaalsContact C-N 3.27Å; G631-L633 PolarHBondContact O-N 2.85Å; G631-F634 WeakPolarHBondContact O-CB 3.44Å; G631-F634 WeakPolarHBondContact O-CD2 3.49Å; G631-F634 PolarHBondContact O-N 2.92Å; G631-F634 VanDerWaalsContact O-N 3.14Å
632	T	37.2	Very low	39.1	Very low	108.333 Å²	108.333	95.3 Å²	95.3	67%	0.665	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.1	173.6	46.4	0	0	0	0	113.2	I628 A629 E630 F634	I628-T632 HydrophobicContact CG2-CG2 4.11Å; I628-T632 WeakPolarHBondContact O-CB 3.45Å; I628-T632 WeakPolarHBondContact O-CG2 3.28Å; I628-T632 PolarHBondContact O-N 3.41Å; I628-T632 PolarHBondContact O-OG1 3.45Å; A629-T632 WeakPolarHBondContact CA-OG1 3.37Å; A629-T632 PolarHBondContact O-OG1 3.17Å; A629-T632 VanDerWaalsContact O-OG1 3.13Å; E630-T632 VanDerWaalsContact C-N 3.31Å; E630-T632 PolarHBondContact O-N 2.91Å; T632-F634 PolarHBondContact O-N 2.9Å
633	L	33.1	Very low	37.2	Very low	116.333 Å²	116.333	97.4 Å²	97.4	61%	0.609	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.1	171	-73.7	139.7	0	0	0	114	E630 G631 S635 A636 S637	E630-L633 WeakPolarHBondContact O-CA 3.2Å; E630-L633 WeakPolarHBondContact O-CB 3.38Å; E630-L633 PolarHBondContact O-N 2.82Å; G631-L633 VanDerWaalsContact C-N 3.27Å; G631-L633 PolarHBondContact O-N 2.85Å; L633-S635 PolarHBondContact O-N 2.91Å; L633-S635 VanDerWaalsContact O-N 3.16Å; L633-A636 CarbonylContact O-C 3.6Å; L633-A636 WeakPolarHBondContact O-CA 3.31Å; L633-A636 PolarHBondContact O-N 3.12Å; L633-S637 WeakPolarHBondContact O-CB 3.41Å; L633-S637 PolarHBondContact O-N 3.07Å; L633-S637 PolarHBondContact O-OG 3.28Å
634	F	33.7	Very low	35.7	Very low	132 Å²	132	100.8 Å²	100.8	58%	0.579	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-20	179	-83.4	-81	0	0	0	114.3	L623 E630 G631 T632 A636 S637 S638	L623-F634 HydrophobicContact CD1-CD2 4.49Å; L623-F634 HydrophobicContact CD1-CE2 4.41Å; L623-F634 HydrophobicContact CD2-CE2 4.15Å; L623-F634 HydrophobicContact CD2-CZ 4.38Å; E630-F634 PolarHBondContact O-N 2.93Å; G631-F634 WeakPolarHBondContact O-CB 3.44Å; G631-F634 WeakPolarHBondContact O-CD2 3.49Å; G631-F634 PolarHBondContact O-N 2.92Å; G631-F634 VanDerWaalsContact O-N 3.14Å; T632-F634 PolarHBondContact O-N 2.9Å; F634-A636 VanDerWaalsContact C-N 3.28Å; F634-A636 PolarHBondContact O-N 3.15Å; F634-S637 WeakPolarHBondContact CA-OG 3.39Å; F634-S637 PolarHBondContact O-OG 3.17Å; F634-S638 PolarHBondContact O-N 3.24Å; F634-S638 PolarHBondContact O-OG 2.99Å
635	S	33.8	Very low	34.6	Very low	74 Å²	74	103.7 Å²	103.7	52%	0.517	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.4	-8.5	171.3	-79.3	0	0	0	0	114	L633	L633-S635 PolarHBondContact O-N 2.91Å; L633-S635 VanDerWaalsContact O-N 3.16Å
636	A	29.8	Very low	33.6	Very low	55 Å²	55	103.5 Å²	103.5	46%	0.455	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.8	-14.5	-179	0	0	0	0	0	114.1	L633 F634 S639	L633-A636 CarbonylContact O-C 3.6Å; L633-A636 WeakPolarHBondContact O-CA 3.31Å; L633-A636 PolarHBondContact O-N 3.12Å; F634-A636 VanDerWaalsContact C-N 3.28Å; F634-A636 PolarHBondContact O-N 3.15Å; A636-S639 CarbonylContact O-C 3.57Å; A636-S639 PolarHBondContact O-N 3.06Å; A636-S639 VanDerWaalsContact O-N 3.14Å; A636-S639 PolarHBondContact O-OG 2.94Å; A636-S639 VanDerWaalsContact O-OG 3.1Å
637	S	28.9	Very low	32.6	Very low	48 Å²	48	103.4 Å²	103.4	34%	0.336	60%	0.6	S	S	.	*	G	3₁₀ helix	trans	-91.5	-16.9	-175.2	50	0	0	0	0	114.1	L633 F634 S639 N640	L633-S637 WeakPolarHBondContact O-CB 3.41Å; L633-S637 PolarHBondContact O-N 3.07Å; L633-S637 PolarHBondContact O-OG 3.28Å; F634-S637 WeakPolarHBondContact CA-OG 3.39Å; F634-S637 PolarHBondContact O-OG 3.17Å; S637-S639 VanDerWaalsContact C-N 3.3Å; S637-S639 PolarHBondContact O-N 3.06Å; S637-S639 VanDerWaalsContact O-N 3.15Å; S637-N640 PolarHBondContact O-N 3.32Å; S637-N640 VanDerWaalsContact O-N 3.08Å
638	S	30.6	Very low	31.5	Very low	97 Å²	97	109.9 Å²	109.9	68%	0.678	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-69.9	-13.4	169.8	61.5	0	0	0	0	113.8	F634 N640	F634-S638 PolarHBondContact O-N 3.24Å; F634-S638 PolarHBondContact O-OG 2.99Å; S638-N640 VanDerWaalsContact C-N 3.34Å
639	S	29.6	Very low	30.4	Very low	78.3333 Å²	78.3333	118 Å²	118	55%	0.548	65%	0.654	S	S	.	*	G	3₁₀ helix	trans	-102.5	12.3	173.5	53.4	0	0	0	0	113.3	A636 S637 M641	A636-S639 CarbonylContact O-C 3.57Å; A636-S639 PolarHBondContact O-N 3.06Å; A636-S639 VanDerWaalsContact O-N 3.14Å; A636-S639 PolarHBondContact O-OG 2.94Å; A636-S639 VanDerWaalsContact O-OG 3.1Å; S637-S639 VanDerWaalsContact C-N 3.3Å; S637-S639 PolarHBondContact O-N 3.06Å; S637-S639 VanDerWaalsContact O-N 3.15Å; S639-M641 PolarHBondContact O-N 3.14Å
640	N	26.4	Very low	29.7	Very low	121 Å²	121	119.3 Å²	119.3	65%	0.647	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-105.4	41.9	-173.3	-105.5	-20.1	0	0	0	113.9	S637 S638 N642	S637-N640 PolarHBondContact O-N 3.32Å; S637-N640 VanDerWaalsContact O-N 3.08Å; S638-N640 VanDerWaalsContact C-N 3.34Å; N640-N642 VanDerWaalsContact C-N 3.28Å; N640-N642 PolarHBondContact O-N 3.43Å
641	M	27	Very low	29.2	Very low	156.667 Å²	156.667	120.3 Å²	120.3	77%	0.772	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	21.3	169.2	-82.4	-70.8	153.9	0	0	112.6	S639 S643	S639-M641 PolarHBondContact O-N 3.14Å; M641-S643 PolarHBondContact O-N 3.17Å
642	N	26.4	Very low	28.8	Very low	150 Å²	150	127.8 Å²	127.8	80%	0.802	70%	0.696	S	S	*	*			trans	-113.6	33.3	180	-82.5	-24.3	0	0	0	113.8	N640 S644	N640-N642 VanDerWaalsContact C-N 3.28Å; N640-N642 PolarHBondContact O-N 3.43Å; N642-S644 PolarHBondContact O-N 2.82Å; N642-S644 VanDerWaalsContact O-N 3.08Å
643	S	26.2	Very low	28.5	Very low	100.333 Å²	100.333	129.9 Å²	129.9	70%	0.702	70%	0.699	S	S	*	*	S	Bend	trans	-118.3	23.4	-178.6	66.6	0	0	0	0	115.2	M641	M641-S643 PolarHBondContact O-N 3.17Å
644	S	26.1	Very low	28.3	Very low	103.667 Å²	103.667	133 Å²	133	73%	0.725	71%	0.707	S	S	*	*	S	Bend	trans	-130.2	14.1	-178.1	66.7	0	0	0	0	115.8	N642	N642-S644 PolarHBondContact O-N 2.82Å; N642-S644 VanDerWaalsContact O-N 3.08Å
645	V	26.9	Very low	28.1	Very low	124.667 Å²	124.667	134.2 Å²	134.2	76%	0.756	72%	0.719	S	S	*	*			trans	-130.3	60.7	177.2	-165.5	0	0	0	0	111.4
646	H	26.8	Very low	28	Very low	185.333 Å²	185.333	138.4 Å²	138.4	86%	0.858	74%	0.735	S	S	*	*			trans	-162.5	74.1	155.5	-101	-69.4	0	0	0	110.3
647	N	26.1	Very low	28.1	Very low	149 Å²	149	143 Å²	143	80%	0.797	75%	0.747	S	S	*	*			trans	-155.4	76.5	165	-104.7	-23.8	0	0	0	110.8
648	F	25.6	Very low	28.2	Very low	211.667 Å²	211.667	148.2 Å²	148.2	93%	0.928	76%	0.763	S	S	*	*			trans	-163.3	73.1	178	-84.8	-77.2	0	0	0	111
649	R	25.6	Very low	28.2	Very low	238.667 Å²	238.667	150 Å²	150	90%	0.901	77%	0.765	S	S	*	*	S	Bend	trans	-154.6	115.4	139.2	-162	170.2	-179.8	166.1	-1.3	111.7
650	S	26.2	Very low	28.3	Very low	94 Å²	94	153 Å²	153	66%	0.657	78%	0.775	S	S	*	*			trans	-115.5	136.2	171	50.6	0	0	0	0	112.1
651	D	28.5	Very low	28.5	Very low	156.667 Å²	156.667	151.9 Å²	151.9	84%	0.838	78%	0.777	S	S	*	*			trans	91.7	127.6	150.7	-64.7	-40.8	0	0	0	115.4
652	E	30.5	Very low	28.8	Very low	183.333 Å²	183.333	151 Å²	151	86%	0.857	78%	0.775	S	S	*	*			trans	102.3	71.8	166.3	-85	-175	171.6	0	0	116.7	K654 N688	E652-K654 PolarHBondContact O-N 3.12Å; E652-N688 PolarHBondContact O-ND2 2.92Å
653	E	30.1	Very low	29	Very low	151.667 Å²	151.667	151.9 Å²	151.9	71%	0.709	77%	0.771	S	S	*	*			trans	-108.7	90.5	151.8	-90.5	-173.2	163.2	0	0	115	N688 C689	E653-N688 HydrophobicContact CG-CB 3.7Å; E653-N688 PolarHBondContact OE1-OD1 3.41Å; E653-C689 WeakPolarHBondContact OE1-CB 3.21Å; E653-C689 PolarHBondContact OE1-N 2.94Å; E653-C689 VanDerWaalsContact OE2-C 3.27Å; E653-C689 WeakPolarHBondContact OE2-CB 3.45Å
654	K	29.5	Very low	29.3	Very low	182.667 Å²	182.667	153.3 Å²	153.3	79%	0.794	77%	0.77	S	S	*	*			trans	-149.9	133.2	163.7	-90.8	152.1	-177.7	165.6	0	110.5	E652 S690	E652-K654 PolarHBondContact O-N 3.12Å; K654-S690 PolarHBondContact NZ-OG 3.33Å
655	L	29.6	Very low	29.6	Very low	156.667 Å²	156.667	153.7 Å²	153.7	82%	0.82	76%	0.764	S	S	*	*			trans	117.4	90.3	171.4	-74.5	167.2	0	0	0	111.8
656	L	31	Very low	30	Very low	162.667 Å²	162.667	154.9 Å²	154.9	85%	0.852	76%	0.762	S	S	*	*				-117.9	105.9	58.4	-97.2	146.6	0	0	0	112.2
657	E	31.8	Very low	30.4	Very low	150.667 Å²	150.667	153 Å²	153	70%	0.704	75%	0.753	S	S	*	*			trans	98.7	121.8	141.7	-97.4	-167.8	158.7	0	0	113.9
658	K	31.2	Very low	30.8	Very low	158.333 Å²	158.333	151.9 Å²	151.9	69%	0.688	75%	0.747	S	S	*	*				118.3	130.4	94.5	-138.6	165	-169	154.6	0	116.8
659	D	31.5	Very low	31.2	Very low	134 Å²	134	146.1 Å²	146.1	72%	0.717	73%	0.733	S	S	*	*				75.2	154	120.8	-70.7	-17.9	0	0	0	119.3
660	D	31.2	Very low	31.6	Very low	142.333 Å²	142.333	141.5 Å²	141.5	76%	0.761	73%	0.725	S	S	*	*				-126.9	135.2	124.5	-102.4	-26.3	0	0	0	118.3
661	S	30.5	Very low	32	Very low	96.3333 Å²	96.3333	143.7 Å²	143.7	67%	0.674	73%	0.73	S	S	*	*			trans	78.2	127.8	139.9	78.6	0	0	0	0	120.2
662	L	32.6	Very low	32.2	Very low	138.667 Å²	138.667	141.2 Å²	141.2	73%	0.726	72%	0.72	S	S	*	*				157.9	138.4	85	-74.6	170.2	0	0	0	114.2
663	K	31	Very low	32.4	Very low	168 Å²	168	138.9 Å²	138.9	73%	0.73	71%	0.714	S	S	*	*				99.2	145.3	108.6	-85.2	178.9	174.5	177.2	0	115.5
664	L	33.5	Very low	32.6	Very low	131.333 Å²	131.333	139.5 Å²	139.5	69%	0.688	72%	0.717	S	S	*	*			cis	170.4	149	26.3	-87	159.8	0	0	0	112.3
665	N	32.7	Very low	32.9	Very low	111.333 Å²	111.333	137 Å²	137	60%	0.595	71%	0.711	S	S	*	*				84.8	163.9	121.4	-80.2	12.8	0	0	0	115.8
666	E	35.1	Very low	33	Very low	150 Å²	150	135.7 Å²	135.7	70%	0.701	70%	0.704	S	S	*	*			cis	-163.8	152.5	-3	-115.7	152.6	-165.6	0	0	106.8
667	Q	33.9	Very low	33	Very low	144.333 Å²	144.333	133.9 Å²	133.9	67%	0.674	70%	0.696	S	S	*	*			cis	158.3	160.7	-3.6	-154	179	-65.6	0	0	112.9
668	D	35.5	Very low	33	Very low	126.333 Å²	126.333	132.3 Å²	132.3	68%	0.676	70%	0.696	S	S	*	*			trans	100.4	153.6	144.4	-89.6	-21.8	0	0	0	119.2
669	S	34.6	Very low	32.8	Very low	89.6667 Å²	89.6667	129.7 Å²	129.7	63%	0.627	70%	0.698	S	S	*	*			cis	160.8	148.8	0.3	56.6	0	0	0	0	116.6
670	L	34	Very low	32.8	Very low	142 Å²	142	129.6 Å²	129.6	74%	0.743	70%	0.703	S	S	*	*				71.2	116.2	120.6	-67.2	161.3	0	0	0	118.1
671	N	32.8	Very low	32.7	Very low	141.667 Å²	141.667	130.5 Å²	130.5	76%	0.758	71%	0.706	S	S	*	*				116	148.8	79.6	-83.6	13.3	0	0	0	112.9
672	T	32.9	Very low	33	Very low	103.333 Å²	103.333	130.8 Å²	130.8	63%	0.634	71%	0.707	S	S	*	*			cis	-150.2	168.3	6.9	17.9	0	0	0	0	110.3
673	D	34.9	Very low	32.7	Very low	135.333 Å²	135.333	131.7 Å²	131.7	72%	0.724	71%	0.707	S	S	*	*			trans	58.4	148.7	148	-49	-28.1	0	0	0	118.9
674	E	35.1	Very low	32.7	Very low	164.667 Å²	164.667	130.8 Å²	130.8	77%	0.769	71%	0.705	S	S	*	*			cis	-158.1	158.1	6.3	-126.7	174.2	-175.8	0	0	110
675	I	35.9	Very low	32.4	Very low	130 Å²	130	135.2 Å²	135.2	67%	0.667	71%	0.713	S	S	*	*				79	109.7	125.1	-67.6	170.7	0	0	0	119.3
676	N	32.4	Very low	32.2	Very low	128.333 Å²	128.333	134.7 Å²	134.7	69%	0.686	72%	0.717	S	S	*	*			trans	69.7	140.2	138.8	-75.8	34.3	0	0	0	124.9
677	D	30.9	Very low	31.9	Very low	124.667 Å²	124.667	138.3 Å²	138.3	67%	0.667	73%	0.725	S	S	*	*				116.8	127.5	97.7	-86.7	-30.6	0	0	0	121.8
678	T	29.8	Very low	31.5	Very low	117 Å²	117	137.5 Å²	137.5	72%	0.718	73%	0.725	S	S	*	*			trans	50.9	126.3	149.3	18	0	0	0	0	122.4
679	S	28.5	Very low	31.1	Very low	104.667 Å²	104.667	136.5 Å²	136.5	73%	0.732	73%	0.727	S	S	*	*			trans	71.3	123.1	138.5	75	0	0	0	0	120.2
680	T	31.8	Very low	30.9	Very low	132.333 Å²	132.333	136.3 Å²	136.3	81%	0.812	73%	0.726	S	S	*	*				-145.3	153.7	61.8	38.6	0	0	0	0	110.7
681	L	28.7	Very low	30.7	Very low	159.667 Å²	159.667	136.2 Å²	136.2	84%	0.836	73%	0.726	S	S	*	*			trans	-33.8	167.6	139.2	-83.7	118.3	0	0	0	114.6
682	P	36.2	Very low	30.6	Very low	104 Å²	104	135.6 Å²	135.6	68%	0.675	72%	0.722	S	S	*	*			cis	-134.6	-163.1	-19.9	36.9	-16.7	0	0	0	113
683	E	27.3	Very low	30.4	Very low	156 Å²	156	138.6 Å²	138.6	73%	0.729	73%	0.727	S	S	*	*				84.6	136.2	121.5	-106.9	-167	-142.8	0	0	118.1
684	H	30.6	Very low	30.1	Very low	151 Å²	151	142.7 Å²	142.7	70%	0.699	73%	0.734	S	S	*	*				145.3	139.1	113.4	-97.9	-30.3	0	0	0	117.9
685	R	27.8	Very low	29.8	Very low	223.667 Å²	223.667	144.3 Å²	144.3	84%	0.844	73%	0.734	S	S	*	*			trans	67.4	120.8	147.8	-71.6	-178.5	172.6	-177.6	-1.1	120.7
686	S	26.5	Very low	29.4	Very low	99.3333 Å²	99.3333	143.1 Å²	143.1	70%	0.695	74%	0.738	S	S	*	*				170.8	155.5	104.2	61.2	0	0	0	0	117
687	R	29.5	Very low	29.2	Very low	226.667 Å²	226.667	144.1 Å²	144.1	86%	0.855	74%	0.737	S	S	*	*			trans	101.4	149.7	150.1	-87.5	175.3	176.1	163.5	-0.9	115.7
688	N	26.6	Very low	29.1	Very low	126.667 Å²	126.667	144.3 Å²	144.3	68%	0.677	74%	0.739	S	S	*	*			cis	-132.4	161	-6.7	-99.9	7.1	0	0	0	109.9	E652 E653	E652-N688 PolarHBondContact O-ND2 2.92Å; E653-N688 HydrophobicContact CG-CB 3.7Å; E653-N688 PolarHBondContact OE1-OD1 3.41Å
689	C	27.1	Very low	29	Very low	106.333 Å²	106.333	145 Å²	145	72%	0.718	74%	0.738	S	S	*	*			trans	151.7	160.2	156.8	-66.7	0	0	0	0	118.9	E653	E653-C689 WeakPolarHBondContact OE1-CB 3.21Å; E653-C689 PolarHBondContact OE1-N 2.94Å; E653-C689 VanDerWaalsContact OE2-C 3.27Å; E653-C689 WeakPolarHBondContact OE2-CB 3.45Å
690	S	29.3	Very low	29	Very low	86 Å²	86	146.4 Å²	146.4	60%	0.601	74%	0.737	S	S	*	*			trans	67.6	123.6	157	68.6	0	0	0	0	120.2	K654	K654-S690 PolarHBondContact NZ-OG 3.33Å
691	D	29.4	Very low	28.8	Very low	138.667 Å²	138.667	146.1 Å²	146.1	74%	0.742	73%	0.731	S	S	*	*				106.9	145.1	94.7	-84.7	-12.7	0	0	0	118.2
692	N	31	Very low	28.8	Very low	129 Å²	129	145.8 Å²	145.8	69%	0.69	73%	0.73	S	S	*	*				161.3	147.7	84.7	-113.9	-72.6	0	0	0	116
693	K	28.6	Very low	28.4	Very low	165.667 Å²	165.667	146.2 Å²	146.2	72%	0.72	74%	0.735	S	S	*	*			trans	29.7	123	147.9	-63.6	175.1	176.2	177.6	0	119	Y695	K693-Y695 HydrophobicContact CD-CE2 3.88Å; K693-Y695 PolarHBondContact NZ-OH 2.99Å
694	Y	29.2	Very low	28.5	Very low	223 Å²	223	144.7 Å²	144.7	88%	0.875	74%	0.739	S	S	*	*				178.6	142.6	124.5	-101.6	-80.6	0	0	0	115.6
695	Y	28.2	Very low	28.3	Very low	196.667 Å²	196.667	140.7 Å²	140.7	77%	0.771	74%	0.739	S	S	*	*			trans	-103.8	127.7	175.5	-78	-87.5	0	0	0	116.3	K693	K693-Y695 HydrophobicContact CD-CE2 3.88Å; K693-Y695 PolarHBondContact NZ-OH 2.99Å
696	S	27.5	Very low	28.1	Very low	106.667 Å²	106.667	135.4 Å²	135.4	75%	0.746	74%	0.736	S	S	*	*			trans	177	121.9	132.6	-168.6	0	0	0	0	113.7
697	H	28.4	Very low	28.3	Very low	147.667 Å²	147.667	138.2 Å²	138.2	68%	0.684	73%	0.732	S	S	*	*				-123.5	138.2	112.3	-94.2	-74.9	0	0	0	113.6
698	N	29.2	Very low	28.2	Very low	129 Å²	129	132.3 Å²	132.3	69%	0.69	73%	0.726	S	S	*	*				148	130.4	99.3	-88.2	-11.5	0	0	0	118
699	N	27.4	Very low	28.4	Very low	131.333 Å²	131.333	130.5 Å²	130.5	70%	0.702	72%	0.719	S	S	*	*			trans	55.1	126	132.2	-64.4	12.5	0	0	0	122
700	N	28.1	Very low	28.7	Very low	134.333 Å²	134.333	128.9 Å²	128.9	72%	0.718	71%	0.707	S	S	*	*			trans	106.3	130.7	131.3	-80.4	21.8	0	0	0	116.9
701	D	28.1	Very low	28.9	Very low	127 Å²	127	130.5 Å²	130.5	68%	0.679	71%	0.713	S	S	*	*				70.5	128.7	122.1	-64.3	-27.7	0	0	0	117.8
702	N	29.6	Very low	29.1	Very low	154 Å²	154	126.8 Å²	126.8	82%	0.824	71%	0.707	S	S	*	*				161.3	134.2	110.4	-80.2	-62.7	0	0	0	116.4
703	S	26.6	Very low	29.7	Very low	111 Å²	111	123.3 Å²	123.3	78%	0.776	69%	0.692	S	S	*	*			trans	19	156	156.4	-148.6	0	0	0	0	117
704	P	29.2	Very low	30.6	Very low	126 Å²	126	118.9 Å²	118.9	82%	0.818	68%	0.68	S	S	*	*			cis	-123.4	163	-8.4	36.9	-27.3	0	0	0	114.2	S706	P704-S706 PolarHBondContact O-N 3.01Å
705	G	26.7	Very low	32	Very low	66.3333 Å²	66.3333	109.4 Å²	109.4	68%	0.684	65%	0.647	S	S	*	*			trans	-173.7	89.1	175	0	0	0	0	0	114.7	Y707	G705-Y707 PolarHBondContact O-N 3Å
706	S	24.7	Very low	33.7	Very low	113 Å²	113	102.6 Å²	102.6	79%	0.79	62%	0.624	S	S	*	*			trans	-72.8	113.7	179.3	81.2	0	0	0	0	112.5	P704 S708	P704-S706 PolarHBondContact O-N 3.01Å; S706-S708 PolarHBondContact O-N 3.27Å; S706-S708 VanDerWaalsContact O-N 3.12Å; S706-S708 PolarHBondContact O-OG 3.32Å
707	Y	30.5	Very low	35.8	Very low	157 Å²	157	98.7 Å²	98.7	62%	0.616	59%	0.594	S	S	*	*			trans	-87	114.8	163.7	-85.6	-86.7	0	0	0	109.7	G705 T709 T711 L730	G705-Y707 PolarHBondContact O-N 3Å; Y707-T709 HydrophobicContact CD1-CG2 3.83Å; Y707-T709 WeakPolarHBondContact CD1-OG1 3.49Å; Y707-T709 HydrophobicContact CE1-CG2 4.34Å; Y707-T709 PolarHBondContact O-N 2.82Å; Y707-T711 VanDerWaalsContact C-OG1 3.28Å; Y707-T711 PolarHBondContact O-OG1 3.49Å; Y707-L730 HydrophobicContact CE1-CD1 4.16Å; Y707-L730 HydrophobicContact CE2-CD1 4.08Å; Y707-L730 HydrophobicContact CE2-CD2 3.64Å; Y707-L730 HydrophobicContact CE2-CG 4.46Å
708	S	26	Very low	37.9	Very low	103 Å²	103	92.5 Å²	92.5	72%	0.72	57%	0.567	S	S	*	*			trans	-94.2	71.2	174.3	164.2	0	0	0	0	111.7	S706 T710	S706-S708 PolarHBondContact O-N 3.27Å; S706-S708 VanDerWaalsContact O-N 3.12Å; S706-S708 PolarHBondContact O-OG 3.32Å; S708-T710 PolarHBondContact OG-OG1 3.4Å
709	T	31	Very low	40.2	Very low	88 Å²	88	86.6 Å²	86.6	54%	0.54	54%	0.537	S	S	.	.	S	Bend	trans	-127.1	41.9	164	15.6	0	0	0	0	109.5	Y707 T711	Y707-T709 HydrophobicContact CD1-CG2 3.83Å; Y707-T709 WeakPolarHBondContact CD1-OG1 3.49Å; Y707-T709 HydrophobicContact CE1-CG2 4.34Å; Y707-T709 PolarHBondContact O-N 2.82Å; T709-T711 WeakPolarHBondContact O-CG2 3.1Å; T709-T711 PolarHBondContact O-N 3.36Å; T709-T711 VanDerWaalsContact O-N 3.12Å; T709-T711 PolarHBondContact O-OG1 3.46Å; T709-T711 VanDerWaalsContact O-OG1 3.07Å
710	T	33.6	Very low	42.9	Very low	74 Å²	74	80.6 Å²	80.6	45%	0.454	51%	0.505	S	S	.	.			trans	-50.8	26.6	160.4	51.6	0	0	0	0	115.6	S708 G712 C713	S708-T710 PolarHBondContact OG-OG1 3.4Å; T710-G712 PolarHBondContact O-N 3.06Å; T710-G712 VanDerWaalsContact O-N 3.1Å; T710-C713 VanDerWaalsContact CB-SG 3.57Å; T710-C713 HydrophobicContact CG2-CB 4.41Å; T710-C713 VanDerWaalsContact CG2-SG 3.57Å; T710-C713 WeakPolarHBondContact O-CB 3.35Å; T710-C713 PolarHBondContact O-N 3.16Å; T710-C713 VanDerWaalsContact O-N 3.09Å
711	T	33.5	Very low	45.5	Very low	119 Å²	119	76.9 Å²	76.9	73%	0.73	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	0.4	177.4	26.9	0	0	0	0	114.3	Y707 T709	Y707-T711 VanDerWaalsContact C-OG1 3.28Å; Y707-T711 PolarHBondContact O-OG1 3.49Å; T709-T711 WeakPolarHBondContact O-CG2 3.1Å; T709-T711 PolarHBondContact O-N 3.36Å; T709-T711 VanDerWaalsContact O-N 3.12Å; T709-T711 PolarHBondContact O-OG1 3.46Å; T709-T711 VanDerWaalsContact O-OG1 3.07Å
712	G	35	Very low	48.1	Very low	60.3333 Å²	60.3333	72.8 Å²	72.8	62%	0.622	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-4.6	176.3	0	0	0	0	0	116.4	T710 T714	T710-G712 PolarHBondContact O-N 3.06Å; T710-G712 VanDerWaalsContact O-N 3.1Å; G712-T714 PolarHBondContact O-N 3.22Å
713	C	42.1	Very low	51	Low	55.6667 Å²	55.6667	65.6 Å²	65.6	38%	0.376	43%	0.428	S	S	.	.			trans	-95.8	97.1	-170.9	-67	0	0	0	0	112.6	T710 A715 I716	T710-C713 VanDerWaalsContact CB-SG 3.57Å; T710-C713 HydrophobicContact CG2-CB 4.41Å; T710-C713 VanDerWaalsContact CG2-SG 3.57Å; T710-C713 WeakPolarHBondContact O-CB 3.35Å; T710-C713 PolarHBondContact O-N 3.16Å; T710-C713 VanDerWaalsContact O-N 3.09Å; C713-A715 PolarHBondContact O-N 3.37Å; C713-I716 HydrophobicContact CB-CD1 4.05Å; C713-I716 HydrophobicContact CB-CG1 3.77Å
714	T	48.9	Very low	54	Low	74.3333 Å²	74.3333	61.5 Å²	61.5	46%	0.456	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.4	178.8	41.7	0	0	0	0	114.7	A354 T624 R625 G712	A354-T714 PolarHBondContact O-OG1 2.98Å; T624-T714 CarbonylContact C-O 3.56Å; T624-T714 WeakPolarHBondContact CA-O 3.3Å; R625-T714 PolarHBondContact N-O 2.57Å; G712-T714 PolarHBondContact O-N 3.22Å
715	A	57.3	Low	56.7	Low	23.6667 Å²	23.6667	55.8 Å²	55.8	20%	0.196	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	43.4	-166.2	0	0	0	0	0	114.2	L357 S359 S360 V622 C713	L357-A715 HydrophobicContact CB-CB 4.36Å; L357-A715 HydrophobicContact CD2-CB 3.82Å; L357-A715 HydrophobicContact CG-CB 3.83Å; L357-A715 WeakPolarHBondContact O-CB 3.47Å; S359-A715 CarbonylContact C-O 3.37Å; S359-A715 WeakPolarHBondContact CA-O 3.48Å; S360-A715 PolarHBondContact N-O 3.25Å; V622-A715 HydrophobicContact CG1-CB 3.72Å; V622-A715 VanDerWaalsContact CG1-CB 3.49Å; V622-A715 WeakPolarHBondContact CG1-O 3.44Å; C713-A715 PolarHBondContact O-N 3.37Å
716	I	63.9	Low	59.6	Low	54 Å²	54	53.6 Å²	53.6	28%	0.277	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-100.7	124	-176.4	-58.1	180	0	0	0	110.4	L623 I628 C713	L623-I716 HydrophobicContact CD2-CG2 3.87Å; L623-I716 PolarHBondContact N-O 3.31Å; L623-I716 PolarHBondContact O-N 3.44Å; I628-I716 HydrophobicContact CD1-CB 4.18Å; I628-I716 HydrophobicContact CD1-CD1 4.03Å; I628-I716 HydrophobicContact CD1-CG1 4.15Å; C713-I716 HydrophobicContact CB-CD1 4.05Å; C713-I716 HydrophobicContact CB-CG1 3.77Å
717	L	71.4	Confident	62.6	Low	23 Å²	23	48.9 Å²	48.9	12%	0.12	30%	0.298	C	S	.	.			trans	-61.3	134.1	170.8	-65.8	167.4	0	0	0	115.2	W316 S360 A361 Y436 Q439 V622 L623 S721 I722 H1400	W316-L717 HydrophobicContact CZ3-CD1 3.94Å; S360-L717 PolarHBondContact O-N 3.39Å; A361-L717 HydrophobicContact CB-CB 4.23Å; A361-L717 HydrophobicContact CB-CD1 3.92Å; Y436-L717 HydrophobicContact CD2-CB 4.29Å; Y436-L717 HydrophobicContact CD2-CD1 4.13Å; Y436-L717 HydrophobicContact CD2-CD2 4.05Å; Y436-L717 HydrophobicContact CD2-CG 4.45Å; Y436-L717 HydrophobicContact CE2-CB 4.04Å; Y436-L717 HydrophobicContact CE2-CD1 4.21Å; Y436-L717 HydrophobicContact CE2-CD2 4.03Å; Q439-L717 HydrophobicContact CG-CD1 4.48Å; V622-L717 HydrophobicContact CB-CD2 4.48Å; V622-L717 HydrophobicContact CG2-CD2 3.72Å; V622-L717 HydrophobicContact CG2-CG 4.49Å; L623-L717 HydrophobicContact CD1-CD1 3.25Å; L623-L717 HydrophobicContact CD1-CD2 3.38Å; L623-L717 HydrophobicContact CD1-CG 3.75Å; L623-L717 HydrophobicContact CD2-CD1 3.54Å; L623-L717 HydrophobicContact CD2-CD2 3.67Å; L623-L717 HydrophobicContact CD2-CG 3.65Å; L623-L717 HydrophobicContact CG-CD1 3.86Å; L623-L717 HydrophobicContact CG-CD2 3.5Å; L623-L717 HydrophobicContact CG-CG 3.97Å; L717-S721 WeakPolarHBondContact O-CB 3.39Å; L717-S721 PolarHBondContact O-N 3.37Å; L717-S721 PolarHBondContact O-OG 2.95Å; L717-I722 VanDerWaalsContact O-CD1 3.31Å; L717-I722 WeakPolarHBondContact O-CD1 3.25Å; L717-H1400 VanDerWaalsContact CD2-NE2 3.34Å; L717-H1400 WeakPolarHBondContact CD2-NE2 3.17Å
718	P	72.5	Confident	65.3	Low	18 Å²	18	44.6 Å²	44.6	12%	0.117	28%	0.283	C	S	.	.	H	α-helix	trans	-89.4	-52.7	-137.8	23.6	-23.3	0	0	0	114.6	E620 L623 S721 I722	E620-P718 HydrophobicContact CB-CG 3.74Å; E620-P718 VanDerWaalsContact CD-CB 3.44Å; E620-P718 HydrophobicContact CG-CB 4.44Å; E620-P718 HydrophobicContact CG-CG 4.33Å; E620-P718 WeakPolarHBondContact OE1-CA 3.4Å; E620-P718 WeakPolarHBondContact OE1-CB 3.48Å; E620-P718 VanDerWaalsContact OE2-CA 3.24Å; E620-P718 WeakPolarHBondContact OE2-CA 2.99Å; E620-P718 VanDerWaalsContact OE2-CB 3.25Å; E620-P718 WeakPolarHBondContact OE2-CB 3.44Å; E620-P718 WeakPolarHBondContact OE2-CG 3.33Å; L623-P718 HydrophobicContact CD1-CB 3.91Å; L623-P718 HydrophobicContact CD2-CB 4.35Å; L623-P718 HydrophobicContact CG-CB 4.04Å; L623-P718 HydrophobicContact CG-CG 4.4Å; P718-S721 WeakPolarHBondContact CA-OG 3.43Å; P718-S721 PolarHBondContact O-OG 3.12Å; P718-S721 VanDerWaalsContact O-OG 3.07Å; P718-I722 HydrophobicContact CB-CD1 4.43Å; P718-I722 VanDerWaalsContact O-CB 3.29Å; P718-I722 WeakPolarHBondContact O-CB 3.31Å; P718-I722 WeakPolarHBondContact O-CD1 3.33Å; P718-I722 VanDerWaalsContact O-CG1 3.26Å; P718-I722 WeakPolarHBondContact O-CG1 3.3Å; P718-I722 PolarHBondContact O-N 3Å
719	G	78.2	Confident	68	Low	5.33333 Å²	5.33333	40.3 Å²	40.3	6%	0.055	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-71.6	-173.5	0	0	0	0	0	114.5	Y436 E620 S721 I722 F723	Y436-G719 WeakPolarHBondContact OH-CA 3.27Å; Y436-G719 PolarHBondContact OH-N 2.87Å; E620-G719 PolarHBondContact OE2-N 2.85Å; G719-S721 VanDerWaalsContact C-N 3.3Å; G719-S721 PolarHBondContact O-N 3.05Å; G719-I722 PolarHBondContact O-N 3Å; G719-F723 VanDerWaalsContact O-CB 3.28Å; G719-F723 WeakPolarHBondContact O-CB 3.15Å; G719-F723 PolarHBondContact O-N 3.13Å; G719-F723 VanDerWaalsContact O-N 3.07Å
720	P	84.3	Confident	70.4	Confident	6 Å²	6	41.2 Å²	41.2	4%	0.039	26%	0.256	C	S	.	.	H	α-helix	trans	-48.6	-41	171.5	-28.1	26.7	0	0	0	114.4	A361 Y436 F616 F723 F724	A361-P720 HydrophobicContact CB-CB 4.17Å; A361-P720 HydrophobicContact CB-CG 4.21Å; Y436-P720 HydrophobicContact CD2-CG 4.15Å; Y436-P720 HydrophobicContact CE2-CG 4.03Å; F616-P720 HydrophobicContact CE2-CG 4.22Å; P720-F723 PolarHBondContact O-N 3.12Å; P720-F724 HydrophobicContact CB-CD2 4.46Å; P720-F724 WeakPolarHBondContact O-CB 3.31Å; P720-F724 VanDerWaalsContact O-CD2 3.27Å; P720-F724 WeakPolarHBondContact O-CD2 3.3Å; P720-F724 PolarHBondContact O-N 3.05Å
721	S	82.6	Confident	72.7	Confident	55.3333 Å²	55.3333	40 Å²	40	39%	0.387	25%	0.246	S	C	.	.	H	α-helix	trans	-68.4	-39.1	-179.8	33.2	0	0	0	0	112.9	L717 P718 G719 G725	L717-S721 WeakPolarHBondContact O-CB 3.39Å; L717-S721 PolarHBondContact O-N 3.37Å; L717-S721 PolarHBondContact O-OG 2.95Å; P718-S721 WeakPolarHBondContact CA-OG 3.43Å; P718-S721 PolarHBondContact O-OG 3.12Å; P718-S721 VanDerWaalsContact O-OG 3.07Å; G719-S721 VanDerWaalsContact C-N 3.3Å; G719-S721 PolarHBondContact O-N 3.05Å; S721-G725 WeakPolarHBondContact O-CA 3.36Å; S721-G725 PolarHBondContact O-N 2.88Å
722	I	83.4	Confident	74.7	Confident	42.6667 Å²	42.6667	36.5 Å²	36.5	22%	0.219	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-42.2	172.6	-70.1	165.3	0	0	0	110.9	L717 P718 G719 G725 R726 I731	L717-I722 VanDerWaalsContact O-CD1 3.31Å; L717-I722 WeakPolarHBondContact O-CD1 3.25Å; P718-I722 HydrophobicContact CB-CD1 4.43Å; P718-I722 VanDerWaalsContact O-CB 3.29Å; P718-I722 WeakPolarHBondContact O-CB 3.31Å; P718-I722 WeakPolarHBondContact O-CD1 3.33Å; P718-I722 VanDerWaalsContact O-CG1 3.26Å; P718-I722 WeakPolarHBondContact O-CG1 3.3Å; P718-I722 PolarHBondContact O-N 3Å; G719-I722 PolarHBondContact O-N 3Å; I722-G725 PolarHBondContact O-N 3Å; I722-R726 WeakPolarHBondContact O-CG 3.39Å; I722-R726 PolarHBondContact O-N 2.8Å; I722-I731 HydrophobicContact CB-CD1 4.43Å; I722-I731 HydrophobicContact CG1-CD1 4.31Å; I722-I731 HydrophobicContact CG2-CD1 4.43Å
723	F	89.3	Confident	76.5	Confident	1.33333 Å²	1.33333	36.5 Å²	36.5	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-53.6	178.9	173.4	-96.6	0	0	0	111.5	V432 C434 V614 F616 G719 P720 G725 R726 F727 F789 M792 A793	V432-F723 HydrophobicContact CG1-CE1 3.83Å; V432-F723 HydrophobicContact CG1-CZ 3.93Å; C434-F723 HydrophobicContact CB-CD1 4.05Å; C434-F723 HydrophobicContact CB-CE1 4.13Å; V614-F723 HydrophobicContact CB-CE2 4.42Å; V614-F723 HydrophobicContact CB-CZ 4.44Å; V614-F723 HydrophobicContact CG2-CE2 3.87Å; V614-F723 HydrophobicContact CG2-CZ 3.95Å; F616-F723 HydrophobicContact CZ-CB 4.35Å; G719-F723 VanDerWaalsContact O-CB 3.28Å; G719-F723 WeakPolarHBondContact O-CB 3.15Å; G719-F723 PolarHBondContact O-N 3.13Å; G719-F723 VanDerWaalsContact O-N 3.07Å; P720-F723 PolarHBondContact O-N 3.12Å; F723-G725 VanDerWaalsContact C-N 3.33Å; F723-G725 PolarHBondContact O-N 3.14Å; F723-R726 PolarHBondContact O-N 2.96Å; F723-F727 WeakPolarHBondContact O-CB 3.35Å; F723-F727 PolarHBondContact O-N 3.21Å; F723-F789 HydrophobicContact CE2-CD1 4.3Å; F723-F789 AromaticContact CZ-CD1 3.89Å; F723-F789 HydrophobicContact CZ-CD1 3.94Å; F723-F789 HydrophobicContact CZ-CE1 4.38Å; F723-M792 HydrophobicContact CD2-CB 3.81Å; F723-M792 HydrophobicContact CE2-CB 3.93Å; F723-M792 HydrophobicContact CE2-CE 4.09Å; F723-M792 HydrophobicContact CZ-CE 4.32Å; F723-A793 HydrophobicContact CD2-CB 4.27Å
724	F	90	Very high	77.8	Confident	24.6667 Å²	24.6667	34.7 Å²	34.7	11%	0.108	20%	0.201	C	C	.	.	H	α-helix	trans	-68.9	-32.9	176.7	-73.5	-61	0	0	0	112.3	K362 T365 V432 C434 P720 R726 F727 H728	K362-F724 HydrophobicContact CB-CD2 3.8Å; K362-F724 HydrophobicContact CB-CE2 4.06Å; K362-F724 HydrophobicContact CD-CB 4.24Å; K362-F724 HydrophobicContact CD-CD1 4.39Å; K362-F724 HydrophobicContact CD-CD2 3.9Å; K362-F724 HydrophobicContact CD-CE2 4.36Å; K362-F724 HydrophobicContact CD-CG 3.92Å; K362-F724 HydrophobicContact CG-CD2 3.73Å; K362-F724 HydrophobicContact CG-CE2 3.8Å; K362-F724 HydrophobicContact CG-CG 4.25Å; K362-F724 HydrophobicContact CG-CZ 4.37Å; K362-F724 VanDerWaalsContact O-CE2 3.3Å; K362-F724 WeakPolarHBondContact O-CE2 3.14Å; T365-F724 HydrophobicContact CG2-CD1 4.13Å; T365-F724 HydrophobicContact CG2-CE1 3.75Å; V432-F724 HydrophobicContact CG1-CE1 4.23Å; C434-F724 WeakPolarHBondContact SG-CE2 3.36Å; P720-F724 HydrophobicContact CB-CD2 4.46Å; P720-F724 WeakPolarHBondContact O-CB 3.31Å; P720-F724 VanDerWaalsContact O-CD2 3.27Å; P720-F724 WeakPolarHBondContact O-CD2 3.3Å; P720-F724 PolarHBondContact O-N 3.05Å; F724-R726 VanDerWaalsContact C-N 3.29Å; F724-R726 PolarHBondContact O-N 2.97Å; F724-F727 HydrophobicContact CD1-CB 4.39Å; F724-F727 HydrophobicContact CD1-CD1 4.23Å; F724-F727 HydrophobicContact CD1-CG 4.5Å; F724-F727 PolarHBondContact O-N 3.18Å; F724-H728 WeakPolarHBondContact O-CB 3.38Å; F724-H728 PolarHBondContact O-CD2 2.99Å; F724-H728 VanDerWaalsContact O-CD2 3.26Å; F724-H728 PolarHBondContact O-N 2.96Å
725	G	85.5	Confident	78.5	Confident	7.33333 Å²	7.33333	37.3 Å²	37.3	8%	0.076	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-36.5	171.8	0	0	0	0	0	112.9	S721 I722 F723 G729 L730 I731	S721-G725 WeakPolarHBondContact O-CA 3.36Å; S721-G725 PolarHBondContact O-N 2.88Å; I722-G725 PolarHBondContact O-N 3Å; F723-G725 VanDerWaalsContact C-N 3.33Å; F723-G725 PolarHBondContact O-N 3.14Å; G725-G729 PolarHBondContact O-N 3.12Å; G725-L730 WeakPolarHBondContact O-CA 3.43Å; G725-L730 WeakPolarHBondContact O-CB 3.31Å; G725-L730 PolarHBondContact O-N 3.08Å; G725-I731 PolarHBondContact O-N 3.07Å
726	R	88	Confident	78.4	Confident	20.3333 Å²	20.3333	36.3 Å²	36.3	8%	0.077	20%	0.203	C	C	.	.	H	α-helix	trans	-73.8	-44	171	-75	178.5	179.5	142.9	6.3	112.6	I722 F723 F724 H728 G729 I731 P732 T733 M792 Y794	I722-R726 WeakPolarHBondContact O-CG 3.39Å; I722-R726 PolarHBondContact O-N 2.8Å; F723-R726 PolarHBondContact O-N 2.96Å; F724-R726 VanDerWaalsContact C-N 3.29Å; F724-R726 PolarHBondContact O-N 2.97Å; R726-H728 VanDerWaalsContact C-N 3.31Å; R726-H728 PolarHBondContact O-N 3.02Å; R726-G729 PolarHBondContact O-N 3.25Å; R726-I731 WeakPolarHBondContact CA-O 3.18Å; R726-I731 HydrophobicContact CG-CB 3.82Å; R726-I731 HydrophobicContact CG-CG2 3.8Å; R726-I731 WeakPolarHBondContact CG-O 3.48Å; R726-P732 PolarHBondContact NE-O 3.07Å; R726-P732 VanDerWaalsContact NE-O 3.14Å; R726-T733 HydrophobicContact CB-CG2 3.95Å; R726-T733 HydrophobicContact CG-CG2 4.2Å; R726-M792 HydrophobicContact CB-CB 4.3Å; R726-M792 HydrophobicContact CB-CG 4.06Å; R726-M792 HydrophobicContact CB-SD 4.4Å; R726-M792 WeakPolarHBondContact CD-O 3.44Å; R726-M792 PolarHBondContact NH1-O 3.02Å; R726-Y794 PolarHBondContact NH1-O 3.11Å; R726-Y794 PolarHBondContact NH2-O 3.46Å
727	F	88.6	Confident	77.8	Confident	14.6667 Å²	14.6667	42.8 Å²	42.8	6%	0.064	23%	0.225	C	C	.	.	H	α-helix	trans	-56.5	-43.8	178.2	-179.2	-97.7	0	0	0	112.4	T365 S367 V432 F723 F724 G729 P763 M764 I766 F789 M792	T365-F727 HydrophobicContact CG2-CD1 4.21Å; T365-F727 HydrophobicContact CG2-CE1 3.93Å; S367-F727 WeakPolarHBondContact OG-CE1 3.47Å; V432-F727 HydrophobicContact CB-CE2 4.39Å; V432-F727 HydrophobicContact CB-CZ 4.33Å; V432-F727 HydrophobicContact CG1-CD2 4.4Å; V432-F727 HydrophobicContact CG1-CE2 4.36Å; V432-F727 HydrophobicContact CG2-CE2 3.79Å; V432-F727 HydrophobicContact CG2-CZ 3.9Å; F723-F727 WeakPolarHBondContact O-CB 3.35Å; F723-F727 PolarHBondContact O-N 3.21Å; F724-F727 HydrophobicContact CD1-CB 4.39Å; F724-F727 HydrophobicContact CD1-CD1 4.23Å; F724-F727 HydrophobicContact CD1-CG 4.5Å; F724-F727 PolarHBondContact O-N 3.18Å; F727-G729 VanDerWaalsContact C-N 3.27Å; F727-G729 PolarHBondContact O-N 2.98Å; F727-P763 CarbonylContact O-C 3.56Å; F727-P763 WeakPolarHBondContact O-CA 3.39Å; F727-M764 HydrophobicContact CD2-CB 3.89Å; F727-M764 HydrophobicContact CD2-CG 4.38Å; F727-M764 HydrophobicContact CD2-SD 3.89Å; F727-M764 VanDerWaalsContact CD2-SD 3.55Å; F727-M764 HydrophobicContact CE2-CB 4.04Å; F727-M764 HydrophobicContact CE2-CG 4.28Å; F727-M764 HydrophobicContact CE2-SD 3.92Å; F727-M764 VanDerWaalsContact CE2-SD 3.55Å; F727-M764 PolarHBondContact O-N 3.03Å; F727-I766 HydrophobicContact CE2-CD1 4Å; F727-I766 HydrophobicContact CZ-CD1 4.29Å; F727-F789 HydrophobicContact CD2-CE1 4.23Å; F727-F789 HydrophobicContact CE2-CE1 4.08Å; F727-M792 VanDerWaalsContact CA-SD 3.57Å; F727-M792 HydrophobicContact CB-SD 4.06Å; F727-M792 HydrophobicContact CD2-CE 3.96Å; F727-M792 HydrophobicContact CD2-SD 4.2Å
728	H	86.9	Confident	76.6	Confident	66.6667 Å²	66.6667	45.2 Å²	45.2	31%	0.309	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	2.5	176	-71.8	-70.9	0	0	0	114	K362 S367 F724 R726 L730	K362-H728 PolarHBondContact NZ-NE2 2.98Å; K362-H728 VanDerWaalsContact NZ-NE2 3.2Å; S367-H728 PolarHBondContact OG-CE1 2.99Å; S367-H728 VanDerWaalsContact OG-CE1 3.31Å; F724-H728 WeakPolarHBondContact O-CB 3.38Å; F724-H728 PolarHBondContact O-CD2 2.99Å; F724-H728 VanDerWaalsContact O-CD2 3.26Å; F724-H728 PolarHBondContact O-N 2.96Å; R726-H728 VanDerWaalsContact C-N 3.31Å; R726-H728 PolarHBondContact O-N 3.02Å; H728-L730 VanDerWaalsContact C-N 3.31Å; H728-L730 HydrophobicContact CB-CD1 4.26Å; H728-L730 HydrophobicContact CB-CG 4.21Å; H728-L730 PolarHBondContact O-N 3.13Å
729	G	82.1	Confident	75.1	Confident	11.3333 Å²	11.3333	49.6 Å²	49.6	12%	0.117	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	28	177.1	0	0	0	0	0	114.5	G725 R726 F727 C761 Q762	G725-G729 PolarHBondContact O-N 3.12Å; R726-G729 PolarHBondContact O-N 3.25Å; F727-G729 VanDerWaalsContact C-N 3.27Å; F727-G729 PolarHBondContact O-N 2.98Å; G729-C761 CarbonylContact O-C 3.51Å; G729-C761 WeakPolarHBondContact O-CB 3.36Å; G729-Q762 VanDerWaalsContact CA-C 3.41Å; G729-Q762 WeakPolarHBondContact CA-O 3.45Å
730	L	81.9	Confident	73.2	Confident	108.333 Å²	108.333	53.6 Å²	53.6	57%	0.567	28%	0.281	S	S	*	.	S	Bend	trans	-90.8	-28.8	174.4	-53.5	175.7	0	0	0	111.9	Y707 G725 H728	Y707-L730 HydrophobicContact CE1-CD1 4.16Å; Y707-L730 HydrophobicContact CE2-CD1 4.08Å; Y707-L730 HydrophobicContact CE2-CD2 3.64Å; Y707-L730 HydrophobicContact CE2-CG 4.46Å; G725-L730 WeakPolarHBondContact O-CA 3.43Å; G725-L730 WeakPolarHBondContact O-CB 3.31Å; G725-L730 PolarHBondContact O-N 3.08Å; H728-L730 VanDerWaalsContact C-N 3.31Å; H728-L730 HydrophobicContact CB-CD1 4.26Å; H728-L730 HydrophobicContact CB-CG 4.21Å; H728-L730 PolarHBondContact O-N 3.13Å
731	I	81.1	Confident	71	Confident	48.6667 Å²	48.6667	58 Å²	58	25%	0.25	31%	0.305	C	S	.	.	S	Bend	trans	-120.7	138.1	-179.8	-58.8	175.4	0	0	0	107.8	I722 G725 R726	I722-I731 HydrophobicContact CB-CD1 4.43Å; I722-I731 HydrophobicContact CG1-CD1 4.31Å; I722-I731 HydrophobicContact CG2-CD1 4.43Å; G725-I731 PolarHBondContact O-N 3.07Å; R726-I731 WeakPolarHBondContact CA-O 3.18Å; R726-I731 HydrophobicContact CG-CB 3.82Å; R726-I731 HydrophobicContact CG-CG2 3.8Å; R726-I731 WeakPolarHBondContact CG-O 3.48Å
732	P	75.4	Confident	68.6	Low	44 Å²	44	59.8 Å²	59.8	29%	0.286	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-67	140.3	176.9	26.9	-33.6	0	0	0	111.9	R726 F759	R726-P732 PolarHBondContact NE-O 3.07Å; R726-P732 VanDerWaalsContact NE-O 3.14Å; P732-F759 HydrophobicContact CB-CB 4.34Å; P732-F759 HydrophobicContact CB-CD1 4.19Å; P732-F759 HydrophobicContact CB-CG 4.47Å
733	T	72.5	Confident	66	Low	60.3333 Å²	60.3333	61 Å²	61	37%	0.37	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-80.5	132.8	170.2	42.8	0	0	0	0	110.5	R726 F759 M792	R726-T733 HydrophobicContact CB-CG2 3.95Å; R726-T733 HydrophobicContact CG-CG2 4.2Å; T733-F759 WeakPolarHBondContact O-CE1 3.09Å; T733-M792 HydrophobicContact CG2-CE 4.24Å; T733-M792 HydrophobicContact CG2-CG 3.78Å
734	P	70	Confident	63.1	Low	18.6667 Å²	18.6667	71.9 Å²	71.9	12%	0.121	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-75.7	135.7	175.1	30	-32.9	0	0	0	111.2	C736 Y794 I870	P734-C736 VanDerWaalsContact C-N 3.31Å; P734-C736 PolarHBondContact O-N 3.23Å; P734-Y794 HydrophobicContact CB-CD1 4.35Å; P734-Y794 HydrophobicContact CG-CD1 3.67Å; P734-Y794 HydrophobicContact CG-CE1 4.46Å; P734-Y794 HydrophobicContact CG-CG 3.91Å; P734-I870 HydrophobicContact CB-CD1 4.18Å
735	N	63.3	Low	60.1	Low	128.667 Å²	128.667	77.9 Å²	77.9	69%	0.688	41%	0.414	S	S	*	.			trans	-75.2	82.7	171.8	-79.9	-19.1	0	0	0	110.6
736	C	55.3	Low	57.4	Low	3 Å²	3	86.6 Å²	86.6	2%	0.02	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-75.5	133.5	169.2	-56.7	0	0	0	0	110	P734 Y787 N791 I870 L872	P734-C736 VanDerWaalsContact C-N 3.31Å; P734-C736 PolarHBondContact O-N 3.23Å; C736-Y787 PolarHBondContact O-OH 3.14Å; C736-Y787 VanDerWaalsContact O-OH 3.1Å; C736-N791 VanDerWaalsContact CB-OD1 3.27Å; C736-N791 WeakPolarHBondContact CB-OD1 3.46Å; C736-N791 PolarHBondContact SG-OD1 3.49Å; C736-I870 CarbonylContact C-O 3.6Å; C736-I870 VanDerWaalsContact CA-O 3.25Å; C736-I870 WeakPolarHBondContact CA-O 3.39Å; C736-I870 HydrophobicContact CB-CG2 4.33Å; C736-I870 VanDerWaalsContact SG-CG2 3.55Å; C736-I870 WeakPolarHBondContact SG-CG2 3.39Å; C736-L872 HydrophobicContact CB-CB 4.27Å
737	R	52.3	Low	54.5	Low	190.667 Å²	190.667	93.1 Å²	93.1	72%	0.719	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.7	168.5	-74.6	-170.6	177.5	-164.3	-0.1	109.7	N869 I870 L872	R737-N869 PolarHBondContact NE-OD1 3.07Å; R737-I870 PolarHBondContact N-O 2.87Å; R737-L872 PolarHBondContact O-N 3.02Å
738	L	45.6	Very low	51.7	Low	73.6667 Å²	73.6667	99.2 Å²	99.2	39%	0.386	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.1	171	-110.4	172.4	0	0	0	110.4	S740 Y787 L872	L738-S740 PolarHBondContact O-N 2.96Å; L738-Y787 HydrophobicContact CB-CD2 4.32Å; L738-Y787 HydrophobicContact CB-CE2 4.18Å; L738-Y787 HydrophobicContact CD1-CD2 3.4Å; L738-Y787 HydrophobicContact CD1-CE2 3.67Å; L738-Y787 HydrophobicContact CD1-CG 3.98Å; L738-Y787 HydrophobicContact CD2-CD2 4.49Å; L738-Y787 HydrophobicContact CG-CD2 3.75Å; L738-Y787 HydrophobicContact CG-CE2 3.64Å; L738-L872 HydrophobicContact CD2-CD2 4.16Å; L738-L872 HydrophobicContact CD2-CG 4.18Å; L738-L872 HydrophobicContact CG-CD2 4.45Å
739	K	41.2	Very low	49	Very low	110.333 Å²	110.333	103.8 Å²	103.8	48%	0.48	55%	0.548	S	S	.	.			trans	-86.6	88.4	165.5	-170.8	-153.8	-179.5	-157.4	0	109.2	N741 L872 E873	K739-N741 PolarHBondContact NZ-OD1 3.48Å; K739-L872 PolarHBondContact N-O 3.32Å; K739-E873 HydrophobicContact CD-CG 4.03Å; K739-E873 VanDerWaalsContact CD-OE1 3.26Å; K739-E873 WeakPolarHBondContact CD-OE1 3.43Å; K739-E873 WeakPolarHBondContact CE-OE1 3.19Å; K739-E873 IonicContact NZ-OE1 3.6Å; K739-E873 PolarHBondContact NZ-OE1 2.8Å; K739-E873 IonicContact NZ-OE2 3.75Å; K739-E873 PolarHBondContact NZ-OE2 3.34Å
740	S	38.3	Very low	46.4	Very low	89 Å²	89	109.3 Å²	109.3	62%	0.622	58%	0.575	S	S	*	*			trans	-71.5	134.2	170.6	61.5	0	0	0	0	110.3	L738 S742	L738-S740 PolarHBondContact O-N 2.96Å; S740-S742 WeakPolarHBondContact CB-OG 3.46Å; S740-S742 PolarHBondContact O-N 3.02Å; S740-S742 VanDerWaalsContact O-N 3.15Å; S740-S742 PolarHBondContact OG-OG 3.35Å
741	N	38.1	Very low	43.9	Very low	98.3333 Å²	98.3333	111.4 Å²	111.4	53%	0.526	59%	0.587	S	S	.	*			trans	-80.9	29.9	175.6	-75.8	-12.5	0	0	0	112.1	K739 G743 L1182	K739-N741 PolarHBondContact NZ-OD1 3.48Å; N741-G743 PolarHBondContact O-N 2.9Å; N741-L1182 WeakPolarHBondContact O-CD1 3.26Å
742	S	32.7	Very low	41.4	Very low	93.6667 Å²	93.6667	115.7 Å²	115.7	66%	0.655	61%	0.611	S	S	*	*			trans	-93.7	77.5	-178.6	149.7	0	0	0	0	111.3	S740 R744	S740-S742 WeakPolarHBondContact CB-OG 3.46Å; S740-S742 PolarHBondContact O-N 3.02Å; S740-S742 VanDerWaalsContact O-N 3.15Å; S740-S742 PolarHBondContact OG-OG 3.35Å; S742-R744 PolarHBondContact O-N 3.14Å
743	G	27.8	Very low	39.2	Very low	67 Å²	67	123 Å²	123	69%	0.691	64%	0.641	S	S	*	*			trans	-71.9	94.7	176.3	0	0	0	0	0	113.1	N741	N741-G743 PolarHBondContact O-N 2.9Å
744	R	29.5	Very low	37.1	Very low	230 Å²	230	125.7 Å²	125.7	87%	0.868	66%	0.657	S	S	*	*			trans	-150	120.7	158.2	-132.2	175	-170.4	178.1	4	113.2	S742 Q746	S742-R744 PolarHBondContact O-N 3.14Å; R744-Q746 PolarHBondContact O-N 3.12Å
745	N	26.6	Very low	35.2	Very low	152 Å²	152	131 Å²	131	81%	0.813	69%	0.685	S	S	*	*			trans	-20.4	113.6	168.6	-54.6	-16.7	0	0	0	115.3
746	Q	29.2	Very low	33.5	Very low	189.333 Å²	189.333	133.9 Å²	133.9	89%	0.885	70%	0.696	S	S	*	*			trans	-143	128	132.8	-113.8	164.4	2.1	0	0	108.5	R744	R744-Q746 PolarHBondContact O-N 3.12Å
747	L	27.1	Very low	32.4	Very low	157 Å²	157	140 Å²	140	82%	0.822	73%	0.728	S	S	*	*			trans	-80.1	129.7	159	-75.8	84.9	0	0	0	106
748	D	29.1	Very low	31.5	Very low	143 Å²	143	139 Å²	139	77%	0.765	73%	0.731	S	S	*	*			trans	-162.3	87.9	141.5	-92.4	-35.3	0	0	0	107.2	N750	D748-N750 VanDerWaalsContact C-N 3.26Å; D748-N750 PolarHBondContact O-N 3.34Å; D748-N750 VanDerWaalsContact O-N 3.16Å
749	D	30	Very low	31.6	Very low	162.333 Å²	162.333	142.8 Å²	142.8	87%	0.868	75%	0.745	S	S	*	*			trans	-75.5	80.6	163.2	-80.7	-45.2	0	0	0	107.8
750	N	27.5	Very low	31.9	Very low	126.667 Å²	126.667	144.3 Å²	144.3	68%	0.677	75%	0.751	S	S	*	*			trans	-150.9	133.6	161.5	-77.5	-56.7	0	0	0	108.1	D748 D752	D748-N750 VanDerWaalsContact C-N 3.26Å; D748-N750 PolarHBondContact O-N 3.34Å; D748-N750 VanDerWaalsContact O-N 3.16Å; N750-D752 PolarHBondContact O-N 2.93Å
751	D	29.6	Very low	33.1	Very low	152.667 Å²	152.667	143 Å²	143	82%	0.816	74%	0.741	S	S	*	*			trans	152.8	90	162.1	-67.1	-32.2	0	0	0	112.2	E753	D751-E753 PolarHBondContact O-N 2.83Å
752	D	29.4	Very low	34.8	Very low	140 Å²	140	144.2 Å²	144.2	75%	0.749	74%	0.744	S	S	*	*				-76.5	125.7	117.9	-82.4	-31.8	0	0	0	115	N750 V754	N750-D752 PolarHBondContact O-N 2.93Å; D752-V754 VanDerWaalsContact C-N 3.32Å; D752-V754 HydrophobicContact CB-CG2 4.21Å; D752-V754 PolarHBondContact O-N 3.26Å
753	E	27.3	Very low	37.1	Very low	197.333 Å²	197.333	143.5 Å²	143.5	92%	0.922	74%	0.737	S	S	*	*			trans	-38.1	69.7	159.4	-165.9	175.6	-153.5	0	0	113.7	D751 D755	D751-E753 PolarHBondContact O-N 2.83Å; E753-D755 VanDerWaalsContact C-N 3.34Å; E753-D755 PolarHBondContact O-N 3.12Å
754	V	29.6	Very low	39.9	Very low	117 Å²	117	141.5 Å²	141.5	71%	0.709	71%	0.71	S	S	*	*			trans	-105.6	103.4	176.8	-175.8	0	0	0	0	112.1	D752	D752-V754 VanDerWaalsContact C-N 3.32Å; D752-V754 HydrophobicContact CB-CG2 4.21Å; D752-V754 PolarHBondContact O-N 3.26Å
755	D	29.7	Very low	42.5	Very low	130 Å²	130	135.9 Å²	135.9	70%	0.695	70%	0.702	S	S	*	*			trans	43.2	123.5	160	-82.4	-30.1	0	0	0	120.4	E753 L757	E753-D755 VanDerWaalsContact C-N 3.34Å; E753-D755 PolarHBondContact O-N 3.12Å; D755-L757 HydrophobicContact CB-CD2 4.12Å; D755-L757 HydrophobicContact CB-CG 3.95Å; D755-L757 PolarHBondContact O-N 3.16Å
756	M	28.1	Very low	45.4	Very low	188.667 Å²	188.667	129.6 Å²	129.6	93%	0.929	67%	0.668	S	S	*	*			trans	-60.1	73	152.4	-82.9	-85	-71.5	0	0	111	H758	M756-H758 PolarHBondContact O-N 3.24Å
757	L	32.1	Very low	48	Very low	130.667 Å²	130.667	124.1 Å²	124.1	68%	0.684	64%	0.644	S	S	*	*			trans	-64.5	100.9	176.4	-73.2	176.6	0	0	0	110.2	D755 F759	D755-L757 HydrophobicContact CB-CD2 4.12Å; D755-L757 HydrophobicContact CB-CG 3.95Å; D755-L757 PolarHBondContact O-N 3.16Å; L757-F759 PolarHBondContact O-N 3.43Å
758	H	33.3	Very low	50.8	Low	169.667 Å²	169.667	121.1 Å²	121.1	79%	0.785	62%	0.622	S	S	*	*			trans	-25.5	120.9	164.5	-99.8	-90.8	0	0	0	112.1	M756 K760	M756-H758 PolarHBondContact O-N 3.24Å; H758-K760 HydrophobicContact CB-CB 4.5Å; H758-K760 PolarHBondContact O-N 3.06Å
759	F	46.3	Very low	53.5	Low	154.667 Å²	154.667	119.5 Å²	119.5	68%	0.678	61%	0.61	S	S	*	*			trans	-64	78.9	163.7	-78.9	-81.6	0	0	0	109.6	P732 T733 L757 C761	P732-F759 HydrophobicContact CB-CB 4.34Å; P732-F759 HydrophobicContact CB-CD1 4.19Å; P732-F759 HydrophobicContact CB-CG 4.47Å; T733-F759 WeakPolarHBondContact O-CE1 3.09Å; L757-F759 PolarHBondContact O-N 3.43Å; F759-C761 PolarHBondContact O-N 3.22Å
760	K	49.2	Very low	56	Low	142 Å²	142	114.2 Å²	114.2	62%	0.617	58%	0.582	S	S	*	*			trans	-88.1	105	-176.4	-143.6	178.6	177.3	-173	0	108.3	H758 Q762	H758-K760 HydrophobicContact CB-CB 4.5Å; H758-K760 PolarHBondContact O-N 3.06Å; K760-Q762 HydrophobicContact CB-CG 4.33Å; K760-Q762 HydrophobicContact CD-CG 4.09Å; K760-Q762 VanDerWaalsContact CD-OE1 3.29Å; K760-Q762 HydrophobicContact CG-CG 3.83Å; K760-Q762 PolarHBondContact O-N 3.03Å
761	C	63.4	Low	58.7	Low	61 Å²	61	109.4 Å²	109.4	41%	0.412	56%	0.556	S	S	.	*			trans	-63.4	107.3	170.9	-51.1	0	0	0	0	107.7	G729 F759	G729-C761 CarbonylContact O-C 3.51Å; G729-C761 WeakPolarHBondContact O-CB 3.36Å; F759-C761 PolarHBondContact O-N 3.22Å
762	Q	72.6	Confident	61.3	Low	124 Å²	124	106.3 Å²	106.3	58%	0.579	54%	0.54	S	S	*	.			trans	-132.4	139.8	177.8	-66.4	-164	-80.8	0	0	108.4	G729 K760	G729-Q762 VanDerWaalsContact CA-C 3.41Å; G729-Q762 WeakPolarHBondContact CA-O 3.45Å; K760-Q762 HydrophobicContact CB-CG 4.33Å; K760-Q762 HydrophobicContact CD-CG 4.09Å; K760-Q762 VanDerWaalsContact CD-OE1 3.29Å; K760-Q762 HydrophobicContact CG-CG 3.83Å; K760-Q762 PolarHBondContact O-N 3.03Å
763	P	82.5	Confident	63.9	Low	77.6667 Å²	77.6667	103 Å²	103	50%	0.504	53%	0.525	S	S	.	.			trans	-65.2	147.1	177.6	27	-34.5	0	0	0	111.1	F727 T765	F727-P763 CarbonylContact O-C 3.56Å; F727-P763 WeakPolarHBondContact O-CA 3.39Å; P763-T765 PolarHBondContact O-N 3.46Å
764	M	86.3	Confident	66.5	Low	25.6667 Å²	25.6667	96 Å²	96	13%	0.126	51%	0.506	C	S	.	.			trans	-68.5	110.3	177.6	-178.9	178.1	174.3	0	0	110.6	F727 I766 L785 Q788 F789 M792	F727-M764 HydrophobicContact CD2-CB 3.89Å; F727-M764 HydrophobicContact CD2-CG 4.38Å; F727-M764 HydrophobicContact CD2-SD 3.89Å; F727-M764 VanDerWaalsContact CD2-SD 3.55Å; F727-M764 HydrophobicContact CE2-CB 4.04Å; F727-M764 HydrophobicContact CE2-CG 4.28Å; F727-M764 HydrophobicContact CE2-SD 3.92Å; F727-M764 VanDerWaalsContact CE2-SD 3.55Å; F727-M764 PolarHBondContact O-N 3.03Å; M764-I766 HydrophobicContact CE-CD1 4.06Å; M764-I766 HydrophobicContact CE-CG1 3.83Å; M764-I766 HydrophobicContact CG-CG1 4.17Å; M764-I766 PolarHBondContact O-N 2.97Å; M764-I766 HydrophobicContact SD-CD1 3.88Å; M764-I766 HydrophobicContact SD-CG1 3.95Å; M764-L785 HydrophobicContact CE-CD2 3.73Å; M764-Q788 HydrophobicContact CE-CB 3.72Å; M764-Q788 VanDerWaalsContact CE-OE1 3.29Å; M764-Q788 HydrophobicContact SD-CB 4.08Å; M764-F789 HydrophobicContact CE-CD1 4.27Å; M764-F789 HydrophobicContact CE-CD2 4.18Å; M764-F789 HydrophobicContact CE-CE1 3.91Å; M764-F789 HydrophobicContact CE-CE2 3.83Å; M764-F789 HydrophobicContact CE-CG 4.33Å; M764-F789 HydrophobicContact CE-CZ 3.69Å; M764-F789 HydrophobicContact SD-CD1 4.23Å; M764-F789 HydrophobicContact SD-CE1 3.88Å; M764-F789 WeakPolarHBondContact SD-CE1 3.5Å; M764-F789 HydrophobicContact SD-CZ 4.2Å; M764-M792 HydrophobicContact CB-CE 3.85Å; M764-M792 HydrophobicContact CB-SD 4.26Å; M764-M792 HydrophobicContact CE-CE 4.43Å; M764-M792 HydrophobicContact CG-CE 3.77Å; M764-M792 HydrophobicContact SD-CE 3.4Å; M764-M792 WeakPolarHBondContact SD-CE 3.39Å; M764-M792 HydrophobicContact SD-SD 3.9Å
765	T	83.4	Confident	69	Low	113.333 Å²	113.333	99.2 Å²	99.2	70%	0.695	51%	0.505	S	S	*	.			trans	-88.6	96.4	178.5	52.6	0	0	0	0	111.5	P763 N767	P763-T765 PolarHBondContact O-N 3.46Å; T765-N767 PolarHBondContact O-N 3.01Å; T765-N767 PolarHBondContact O-ND2 2.86Å
766	I	88.1	Confident	71.6	Confident	19.6667 Å²	19.6667	95.2 Å²	95.2	10%	0.101	48%	0.483	C	S	.	.			trans	-82.8	109.8	173.2	-58.3	169.9	0	0	0	108.7	P430 V432 L609 C610 F727 M764 W781 L785 F789	P430-I766 HydrophobicContact CB-CB 4.16Å; P430-I766 HydrophobicContact CB-CD1 3.62Å; P430-I766 HydrophobicContact CB-CG1 4.42Å; P430-I766 HydrophobicContact CB-CG2 4.2Å; P430-I766 HydrophobicContact CG-CB 3.99Å; P430-I766 HydrophobicContact CG-CD1 4.18Å; P430-I766 HydrophobicContact CG-CG1 4.44Å; P430-I766 HydrophobicContact CG-CG2 3.73Å; V432-I766 HydrophobicContact CG2-CD1 4.22Å; L609-I766 HydrophobicContact CD2-CG2 4.2Å; L609-I766 HydrophobicContact CG-CG2 4.43Å; C610-I766 HydrophobicContact CB-CG2 4.21Å; F727-I766 HydrophobicContact CE2-CD1 4Å; F727-I766 HydrophobicContact CZ-CD1 4.29Å; M764-I766 HydrophobicContact CE-CD1 4.06Å; M764-I766 HydrophobicContact CE-CG1 3.83Å; M764-I766 HydrophobicContact CG-CG1 4.17Å; M764-I766 PolarHBondContact O-N 2.97Å; M764-I766 HydrophobicContact SD-CD1 3.88Å; M764-I766 HydrophobicContact SD-CG1 3.95Å; I766-W781 HydrophobicContact CG2-CH2 4.32Å; I766-W781 HydrophobicContact CG2-CZ2 4.01Å; I766-L785 HydrophobicContact CB-CD2 4.46Å; I766-L785 HydrophobicContact CG1-CD2 4.02Å; I766-L785 HydrophobicContact CG2-CD1 4.24Å; I766-L785 HydrophobicContact CG2-CD2 4.13Å; I766-F789 HydrophobicContact CD1-CE1 4.4Å; I766-F789 HydrophobicContact CD1-CE2 4.45Å; I766-F789 HydrophobicContact CD1-CZ 3.68Å
767	N	83.7	Confident	74.3	Confident	72.6667 Å²	72.6667	87.4 Å²	87.4	39%	0.389	45%	0.447	S	S	.	.			trans	-137.6	151.2	176.2	104.5	50	0	0	0	109.8	T765 Q769 W781	T765-N767 PolarHBondContact O-N 3.01Å; T765-N767 PolarHBondContact O-ND2 2.86Å; N767-Q769 PolarHBondContact ND2-OE1 2.7Å; N767-Q769 WeakPolarHBondContact OD1-CB 3.45Å; N767-Q769 PolarHBondContact OD1-N 3.03Å; N767-W781 WeakPolarHBondContact O-CZ2 3.42Å; N767-W781 PolarHBondContact O-NE1 3.05Å
768	R	85.6	Confident	76.9	Confident	94 Å²	94	82.4 Å²	82.4	36%	0.355	42%	0.423	S	S	.	.			trans	-92.9	10.2	178.5	60.3	176.9	-133.4	-150.3	-3	114.3	W262 L609 D770 V771 D772 W781 L805	W262-R768 HydrophobicContact CH2-CG 3.92Å; W262-R768 HydrophobicContact CZ2-CG 4.3Å; L609-R768 HydrophobicContact CD1-CB 3.87Å; L609-R768 HydrophobicContact CD1-CG 3.99Å; R768-D770 VanDerWaalsContact C-N 3.29Å; R768-D770 PolarHBondContact O-N 3.12Å; R768-D770 VanDerWaalsContact O-N 3.17Å; R768-V771 CarbonylContact O-C 3.43Å; R768-V771 WeakPolarHBondContact O-CA 3.32Å; R768-V771 WeakPolarHBondContact O-CB 3.33Å; R768-V771 PolarHBondContact O-N 3.18Å; R768-D772 VanDerWaalsContact CD-OD1 3.31Å; R768-D772 WeakPolarHBondContact CD-OD1 3.44Å; R768-D772 WeakPolarHBondContact CG-OD1 3.34Å; R768-D772 WeakPolarHBondContact CG-OD2 3.47Å; R768-D772 IonicContact CZ-OD1 3.46Å; R768-D772 IonicContact CZ-OD2 3.07Å; R768-D772 VanDerWaalsContact NE-CG 3.33Å; R768-D772 IonicContact NE-OD1 3.12Å; R768-D772 PolarHBondContact NE-OD1 3.36Å; R768-D772 VanDerWaalsContact NE-OD1 3.12Å; R768-D772 IonicContact NE-OD2 3.6Å; R768-D772 PolarHBondContact NE-OD2 2.93Å; R768-D772 IonicContact NH2-OD1 2.68Å; R768-D772 PolarHBondContact NH2-OD1 2.98Å; R768-D772 IonicContact NH2-OD2 3.37Å; R768-D772 PolarHBondContact NH2-OD2 2.96Å; R768-D772 PolarHBondContact O-N 3Å; R768-W781 HydrophobicContact CB-CZ2 4.38Å; R768-L805 HydrophobicContact CB-CD2 4.35Å
769	Q	85.8	Confident	79.4	Confident	110 Å²	110	75.6 Å²	75.6	51%	0.514	39%	0.394	S	S	.	.	H	α-helix	trans	-56.7	-38.2	-172.6	-175.8	94.6	25.1	0	0	113.4	N767 V771 D772 T773	N767-Q769 PolarHBondContact ND2-OE1 2.7Å; N767-Q769 WeakPolarHBondContact OD1-CB 3.45Å; N767-Q769 PolarHBondContact OD1-N 3.03Å; Q769-V771 VanDerWaalsContact C-N 3.31Å; Q769-V771 PolarHBondContact O-N 3.2Å; Q769-D772 PolarHBondContact O-N 2.79Å; Q769-T773 HydrophobicContact CG-CG2 4.46Å; Q769-T773 VanDerWaalsContact NE2-CG2 3.31Å; Q769-T773 WeakPolarHBondContact O-CB 3.33Å; Q769-T773 VanDerWaalsContact O-CG2 3.29Å; Q769-T773 WeakPolarHBondContact O-CG2 3.39Å; Q769-T773 PolarHBondContact O-N 2.88Å; Q769-T773 PolarHBondContact O-OG1 3.29Å
770	D	83.2	Confident	81.2	Confident	51 Å²	51	71.6 Å²	71.6	27%	0.273	38%	0.377	S	S	.	.	H	α-helix	trans	-74.5	-20.2	177.7	-64.3	-63.8	0	0	0	113.1	R768 T773 G774 R775 M776	R768-D770 VanDerWaalsContact C-N 3.29Å; R768-D770 PolarHBondContact O-N 3.12Å; R768-D770 VanDerWaalsContact O-N 3.17Å; D770-T773 WeakPolarHBondContact CA-OG1 3.39Å; D770-G774 PolarHBondContact O-N 3.38Å; D770-R775 HydrophobicContact CB-CB 4.19Å; D770-R775 WeakPolarHBondContact O-CA 3.28Å; D770-R775 WeakPolarHBondContact O-CB 3.41Å; D770-R775 PolarHBondContact O-N 2.96Å; D770-R775 WeakPolarHBondContact OD1-CD 3.45Å; D770-R775 IonicContact OD1-CZ 3.28Å; D770-R775 IonicContact OD1-NE 3.23Å; D770-R775 IonicContact OD1-NH1 3.29Å; D770-R775 PolarHBondContact OD1-NH1 3.2Å; D770-M776 HydrophobicContact CB-CB 4.47Å; D770-M776 HydrophobicContact CB-CG 4.1Å; D770-M776 HydrophobicContact CB-SD 3.99Å; D770-M776 PolarHBondContact O-N 3.11Å
771	V	83.9	Confident	83.2	Confident	25 Å²	25	65.2 Å²	65.2	15%	0.152	35%	0.349	C	S	.	.	H	α-helix	trans	-81.3	-47.8	169.1	-174.3	0	0	0	0	110.5	R768 Q769 T773 G774 P778 W781 L805	R768-V771 CarbonylContact O-C 3.43Å; R768-V771 WeakPolarHBondContact O-CA 3.32Å; R768-V771 WeakPolarHBondContact O-CB 3.33Å; R768-V771 PolarHBondContact O-N 3.18Å; Q769-V771 VanDerWaalsContact C-N 3.31Å; Q769-V771 PolarHBondContact O-N 3.2Å; V771-T773 PolarHBondContact O-N 3.13Å; V771-G774 PolarHBondContact O-N 3.18Å; V771-P778 HydrophobicContact CG1-CG 4Å; V771-W781 HydrophobicContact CG2-CB 3.51Å; V771-W781 VanDerWaalsContact CG2-CB 3.49Å; V771-W781 HydrophobicContact CG2-CD2 3.98Å; V771-W781 HydrophobicContact CG2-CE3 4.48Å; V771-W781 HydrophobicContact CG2-CG 3.51Å; V771-L805 HydrophobicContact CG1-CD1 4.12Å
772	D	84.6	Confident	84.5	Confident	87.6667 Å²	87.6667	62.4 Å²	62.4	47%	0.469	33%	0.33	S	S	.	.	H	α-helix	trans	-61.6	-27.2	178	-76.8	-2.4	0	0	0	112.6	R768 Q769	R768-D772 VanDerWaalsContact CD-OD1 3.31Å; R768-D772 WeakPolarHBondContact CD-OD1 3.44Å; R768-D772 WeakPolarHBondContact CG-OD1 3.34Å; R768-D772 WeakPolarHBondContact CG-OD2 3.47Å; R768-D772 IonicContact CZ-OD1 3.46Å; R768-D772 IonicContact CZ-OD2 3.07Å; R768-D772 VanDerWaalsContact NE-CG 3.33Å; R768-D772 IonicContact NE-OD1 3.12Å; R768-D772 PolarHBondContact NE-OD1 3.36Å; R768-D772 VanDerWaalsContact NE-OD1 3.12Å; R768-D772 IonicContact NE-OD2 3.6Å; R768-D772 PolarHBondContact NE-OD2 2.93Å; R768-D772 IonicContact NH2-OD1 2.68Å; R768-D772 PolarHBondContact NH2-OD1 2.98Å; R768-D772 IonicContact NH2-OD2 3.37Å; R768-D772 PolarHBondContact NH2-OD2 2.96Å; R768-D772 PolarHBondContact O-N 3Å; Q769-D772 PolarHBondContact O-N 2.79Å
773	T	83.7	Confident	85.3	Confident	71.6667 Å²	71.6667	58.2 Å²	58.2	44%	0.44	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	0.4	173.5	55.1	0	0	0	0	114.1	Q769 D770 V771 R775	Q769-T773 HydrophobicContact CG-CG2 4.46Å; Q769-T773 VanDerWaalsContact NE2-CG2 3.31Å; Q769-T773 WeakPolarHBondContact O-CB 3.33Å; Q769-T773 VanDerWaalsContact O-CG2 3.29Å; Q769-T773 WeakPolarHBondContact O-CG2 3.39Å; Q769-T773 PolarHBondContact O-N 2.88Å; Q769-T773 PolarHBondContact O-OG1 3.29Å; D770-T773 WeakPolarHBondContact CA-OG1 3.39Å; V771-T773 PolarHBondContact O-N 3.13Å; T773-R775 VanDerWaalsContact C-N 3.26Å; T773-R775 PolarHBondContact O-N 3.26Å; T773-R775 WeakPolarHBondContact OG1-CD 3.35Å
774	G	80.5	Confident	85.6	Confident	51 Å²	51	58.4 Å²	58.4	53%	0.526	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	22	179.5	0	0	0	0	0	114.7	D770 V771	D770-G774 PolarHBondContact O-N 3.38Å; V771-G774 PolarHBondContact O-N 3.18Å
775	R	83.4	Confident	85.8	Confident	183 Å²	183	57.4 Å²	57.4	69%	0.691	31%	0.306	S	S	*	.	S	Bend	trans	-79.3	-32.2	176.1	-69.7	170.9	165.7	-174	-4.5	112.6	D770 T773	D770-R775 HydrophobicContact CB-CB 4.19Å; D770-R775 WeakPolarHBondContact O-CA 3.28Å; D770-R775 WeakPolarHBondContact O-CB 3.41Å; D770-R775 PolarHBondContact O-N 2.96Å; D770-R775 WeakPolarHBondContact OD1-CD 3.45Å; D770-R775 IonicContact OD1-CZ 3.28Å; D770-R775 IonicContact OD1-NE 3.23Å; D770-R775 IonicContact OD1-NH1 3.29Å; D770-R775 PolarHBondContact OD1-NH1 3.2Å; T773-R775 VanDerWaalsContact C-N 3.26Å; T773-R775 PolarHBondContact O-N 3.26Å; T773-R775 WeakPolarHBondContact OG1-CD 3.35Å
776	M	84.1	Confident	86.2	Confident	45.6667 Å²	45.6667	52.2 Å²	52.2	23%	0.225	27%	0.274	C	S	.	.	S	Bend	trans	-129.8	144.9	177.7	-61.5	179.6	77.2	0	0	109.5	D770 E780 W781 H784	D770-M776 HydrophobicContact CB-CB 4.47Å; D770-M776 HydrophobicContact CB-CG 4.1Å; D770-M776 HydrophobicContact CB-SD 3.99Å; D770-M776 PolarHBondContact O-N 3.11Å; M776-E780 HydrophobicContact CB-CB 4.27Å; M776-E780 HydrophobicContact CB-CG 4.38Å; M776-E780 HydrophobicContact CE-CB 4.07Å; M776-E780 HydrophobicContact CE-CG 3.88Å; M776-E780 WeakPolarHBondContact CE-O 3.07Å; M776-W781 HydrophobicContact CB-CB 4.48Å; M776-H784 HydrophobicContact CE-CB 3.92Å
777	S	85	Confident	86.2	Confident	25.3333 Å²	25.3333	54.3 Å²	54.3	18%	0.177	28%	0.281	C	S	.	.			trans	-71.9	157.2	167.8	66.7	0	0	0	0	111.3	S779 E780 W781 C882	S777-S779 VanDerWaalsContact C-N 3.28Å; S777-S779 PolarHBondContact O-N 3.02Å; S777-S779 PolarHBondContact OG-N 2.89Å; S777-S779 PolarHBondContact OG-OG 2.89Å; S777-E780 PolarHBondContact N-OE2 2.9Å; S777-E780 WeakPolarHBondContact O-CB 3.42Å; S777-E780 PolarHBondContact O-N 3.26Å; S777-E780 WeakPolarHBondContact OG-CB 3.39Å; S777-E780 VanDerWaalsContact OG-CG 3.3Å; S777-E780 WeakPolarHBondContact OG-CG 3.37Å; S777-E780 PolarHBondContact OG-N 3.17Å; S777-E780 PolarHBondContact OG-OE2 3.06Å; S777-W781 WeakPolarHBondContact O-CB 3.3Å; S777-W781 PolarHBondContact O-N 2.86Å; S777-C882 PolarHBondContact OG-SG 3.06Å
778	P	86.4	Confident	86.5	Confident	25.3333 Å²	25.3333	53.9 Å²	53.9	17%	0.165	28%	0.277	C	S	.	.	H	α-helix	trans	-55.2	-38.2	175.2	-28.2	35.9	0	0	0	113.9	V771 V782 L805 F839	V771-P778 HydrophobicContact CG1-CG 4Å; P778-V782 WeakPolarHBondContact O-CG2 3.35Å; P778-V782 PolarHBondContact O-N 3.13Å; P778-L805 HydrophobicContact CB-CD1 4.39Å; P778-L805 HydrophobicContact CG-CD1 4.47Å; P778-F839 HydrophobicContact CB-CB 3.86Å; P778-F839 HydrophobicContact CG-CB 4.28Å
779	S	84.9	Confident	86.8	Confident	26.6667 Å²	26.6667	49.4 Å²	49.4	19%	0.186	26%	0.26	C	S	.	.	H	α-helix	trans	-68	-39.5	176.4	46.9	0	0	0	0	113	S777 W781 V782 A783 F880	S777-S779 VanDerWaalsContact C-N 3.28Å; S777-S779 PolarHBondContact O-N 3.02Å; S777-S779 PolarHBondContact OG-N 2.89Å; S777-S779 PolarHBondContact OG-OG 2.89Å; S779-W781 VanDerWaalsContact C-N 3.32Å; S779-W781 PolarHBondContact O-N 3.39Å; S779-V782 PolarHBondContact O-N 3.19Å; S779-A783 WeakPolarHBondContact O-CB 3.37Å; S779-A783 PolarHBondContact O-N 3.17Å; S779-F880 WeakPolarHBondContact CB-O 3.32Å
780	E	86.2	Confident	87	Confident	70.3333 Å²	70.3333	44.2 Å²	44.2	33%	0.329	24%	0.235	S	C	.	.	H	α-helix	trans	-69	-38.8	176.7	-149.7	176.3	-172	0	0	111.9	M776 S777 A783 H784 C882 S884	M776-E780 HydrophobicContact CB-CB 4.27Å; M776-E780 HydrophobicContact CB-CG 4.38Å; M776-E780 HydrophobicContact CE-CB 4.07Å; M776-E780 HydrophobicContact CE-CG 3.88Å; M776-E780 WeakPolarHBondContact CE-O 3.07Å; S777-E780 PolarHBondContact N-OE2 2.9Å; S777-E780 WeakPolarHBondContact O-CB 3.42Å; S777-E780 PolarHBondContact O-N 3.26Å; S777-E780 WeakPolarHBondContact OG-CB 3.39Å; S777-E780 VanDerWaalsContact OG-CG 3.3Å; S777-E780 WeakPolarHBondContact OG-CG 3.37Å; S777-E780 PolarHBondContact OG-N 3.17Å; S777-E780 PolarHBondContact OG-OE2 3.06Å; E780-A783 PolarHBondContact O-N 3.03Å; E780-H784 WeakPolarHBondContact O-CB 3.43Å; E780-H784 PolarHBondContact O-N 3.02Å; E780-C882 VanDerWaalsContact CD-SG 3.56Å; E780-C882 HydrophobicContact CG-CB 4.14Å; E780-C882 PolarHBondContact OE1-SG 2.68Å; E780-S884 PolarHBondContact OE1-OG 3.38Å
781	W	90.1	Very high	87.1	Confident	8.33333 Å²	8.33333	42.4 Å²	42.4	3%	0.032	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-43.6	172.6	180	79.3	0	0	0	111.9	L609 C610 I766 N767 R768 V771 M776 S777 S779 H784 L785 L805	L609-W781 HydrophobicContact CD1-CH2 3.88Å; L609-W781 HydrophobicContact CD1-CZ2 4.27Å; L609-W781 HydrophobicContact CG-CH2 4.17Å; L609-W781 WeakPolarHBondContact O-CH2 3.33Å; C610-W781 HydrophobicContact CB-CH2 4.27Å; I766-W781 HydrophobicContact CG2-CH2 4.32Å; I766-W781 HydrophobicContact CG2-CZ2 4.01Å; N767-W781 WeakPolarHBondContact O-CZ2 3.42Å; N767-W781 PolarHBondContact O-NE1 3.05Å; R768-W781 HydrophobicContact CB-CZ2 4.38Å; V771-W781 HydrophobicContact CG2-CB 3.51Å; V771-W781 VanDerWaalsContact CG2-CB 3.49Å; V771-W781 HydrophobicContact CG2-CD2 3.98Å; V771-W781 HydrophobicContact CG2-CE3 4.48Å; V771-W781 HydrophobicContact CG2-CG 3.51Å; M776-W781 HydrophobicContact CB-CB 4.48Å; S777-W781 WeakPolarHBondContact O-CB 3.3Å; S777-W781 PolarHBondContact O-N 2.86Å; S779-W781 VanDerWaalsContact C-N 3.32Å; S779-W781 PolarHBondContact O-N 3.39Å; W781-H784 PolarHBondContact O-N 3.1Å; W781-L785 HydrophobicContact CD2-CD1 3.92Å; W781-L785 HydrophobicContact CD2-CG 4.46Å; W781-L785 HydrophobicContact CE3-CD1 3.9Å; W781-L785 HydrophobicContact CH2-CD1 3.68Å; W781-L785 HydrophobicContact CZ2-CD1 3.69Å; W781-L785 HydrophobicContact CZ2-CG 4.48Å; W781-L785 HydrophobicContact CZ3-CD1 3.79Å; W781-L785 WeakPolarHBondContact O-CG 3.35Å; W781-L785 PolarHBondContact O-N 3.1Å; W781-L805 HydrophobicContact CZ3-CD2 4.44Å; W781-L805 HydrophobicContact CZ3-CG 4.2Å
782	V	91	Very high	87.3	Confident	2.33333 Å²	2.33333	41.6 Å²	41.6	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-41.9	173.8	168.3	0	0	0	0	111.8	P778 S779 H784 L785 K786 V802 H842	P778-V782 WeakPolarHBondContact O-CG2 3.35Å; P778-V782 PolarHBondContact O-N 3.13Å; S779-V782 PolarHBondContact O-N 3.19Å; V782-H784 VanDerWaalsContact C-N 3.34Å; V782-H784 PolarHBondContact O-N 3.3Å; V782-L785 PolarHBondContact O-N 2.96Å; V782-K786 WeakPolarHBondContact O-CB 3.45Å; V782-K786 PolarHBondContact O-N 3.03Å; V782-V802 HydrophobicContact CG1-CB 4.09Å; V782-V802 HydrophobicContact CG1-CG1 4.01Å; V782-V802 WeakPolarHBondContact CG1-O 3.37Å; V782-H842 HydrophobicContact CG1-CB 3.74Å
783	A	88.2	Confident	87.4	Confident	35.6667 Å²	35.6667	37.6 Å²	37.6	30%	0.295	20%	0.199	S	C	.	.	H	α-helix	trans	-62.8	-39.8	175.9	0	0	0	0	0	112.4	S779 E780 K786 Y787	S779-A783 WeakPolarHBondContact O-CB 3.37Å; S779-A783 PolarHBondContact O-N 3.17Å; E780-A783 PolarHBondContact O-N 3.03Å; A783-K786 PolarHBondContact O-N 3.21Å; A783-Y787 PolarHBondContact O-N 3.06Å; A783-Y787 VanDerWaalsContact O-N 3.07Å
784	H	88.7	Confident	87.3	Confident	82 Å²	82	36.7 Å²	36.7	38%	0.38	19%	0.188	S	C	.	.	H	α-helix	trans	-64.3	-44.9	173.8	173.7	-105.8	0	0	0	112.4	M776 E780 W781 V782 K786 Y787 Q788	M776-H784 HydrophobicContact CE-CB 3.92Å; E780-H784 WeakPolarHBondContact O-CB 3.43Å; E780-H784 PolarHBondContact O-N 3.02Å; W781-H784 PolarHBondContact O-N 3.1Å; V782-H784 VanDerWaalsContact C-N 3.34Å; V782-H784 PolarHBondContact O-N 3.3Å; H784-K786 PolarHBondContact O-N 2.84Å; H784-Y787 WeakPolarHBondContact O-CB 3.46Å; H784-Y787 PolarHBondContact O-N 2.95Å; H784-Q788 PolarHBondContact CE1-NE2 3.07Å; H784-Q788 PolarHBondContact CE1-OE1 3.08Å; H784-Q788 PolarHBondContact NE2-NE2 2.83Å; H784-Q788 PolarHBondContact O-N 2.93Å; H784-Q788 VanDerWaalsContact O-N 3.15Å
785	L	91.8	Very high	87.2	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-46.6	173.9	-73.3	177.5	0	0	0	111.7	C610 M764 I766 W781 V782 Y787 Q788 F789 V802	C610-L785 HydrophobicContact CB-CD1 4.43Å; M764-L785 HydrophobicContact CE-CD2 3.73Å; I766-L785 HydrophobicContact CB-CD2 4.46Å; I766-L785 HydrophobicContact CG1-CD2 4.02Å; I766-L785 HydrophobicContact CG2-CD1 4.24Å; I766-L785 HydrophobicContact CG2-CD2 4.13Å; W781-L785 HydrophobicContact CD2-CD1 3.92Å; W781-L785 HydrophobicContact CD2-CG 4.46Å; W781-L785 HydrophobicContact CE3-CD1 3.9Å; W781-L785 HydrophobicContact CH2-CD1 3.68Å; W781-L785 HydrophobicContact CZ2-CD1 3.69Å; W781-L785 HydrophobicContact CZ2-CG 4.48Å; W781-L785 HydrophobicContact CZ3-CD1 3.79Å; W781-L785 WeakPolarHBondContact O-CG 3.35Å; W781-L785 PolarHBondContact O-N 3.1Å; V782-L785 PolarHBondContact O-N 2.96Å; L785-Y787 VanDerWaalsContact C-N 3.28Å; L785-Y787 PolarHBondContact O-N 3.02Å; L785-Q788 WeakPolarHBondContact O-CB 3.48Å; L785-Q788 PolarHBondContact O-N 2.98Å; L785-F789 HydrophobicContact CB-CD2 4.35Å; L785-F789 HydrophobicContact CB-CE2 4.13Å; L785-F789 WeakPolarHBondContact O-CD2 3.4Å; L785-F789 PolarHBondContact O-N 3.06Å; L785-V802 HydrophobicContact CB-CG1 4.17Å; L785-V802 HydrophobicContact CD1-CG1 4.49Å
786	K	92.4	Very high	87.2	Confident	4.33333 Å²	4.33333	30.3 Å²	30.3	2%	0.019	16%	0.157	C	C	.	.	H	α-helix	trans	-53.6	-43.2	175	165	-98.5	178.1	174.8	0	111.8	V782 A783 H784 Q788 F789 S790 V802 S844 S874 E876	V782-K786 WeakPolarHBondContact O-CB 3.45Å; V782-K786 PolarHBondContact O-N 3.03Å; A783-K786 PolarHBondContact O-N 3.21Å; H784-K786 PolarHBondContact O-N 2.84Å; K786-Q788 PolarHBondContact O-N 2.81Å; K786-F789 PolarHBondContact O-N 3.02Å; K786-S790 WeakPolarHBondContact O-CB 3.25Å; K786-S790 PolarHBondContact O-N 3.05Å; K786-S790 PolarHBondContact O-OG 3.01Å; K786-V802 HydrophobicContact CB-CB 4.32Å; K786-V802 HydrophobicContact CB-CG2 3.8Å; K786-V802 HydrophobicContact CG-CG2 4.43Å; K786-S844 VanDerWaalsContact CE-CB 3.46Å; K786-S844 WeakPolarHBondContact CE-OG 3.44Å; K786-S874 WeakPolarHBondContact CE-OG 3.34Å; K786-S874 PolarHBondContact NZ-OG 3.22Å; K786-E876 IonicContact NZ-OE1 2.91Å; K786-E876 PolarHBondContact NZ-OE1 2.88Å; K786-E876 IonicContact NZ-OE2 3.45Å; K786-E876 PolarHBondContact NZ-OE2 3.38Å
787	Y	87.8	Confident	87.5	Confident	65.3333 Å²	65.3333	28.9 Å²	28.9	26%	0.256	15%	0.15	S	C	.	.	H	α-helix	trans	-62.4	-43.1	175.3	172.2	-121	0	0	0	112.7	C736 L738 A783 H784 L785 S790 N791 L872	C736-Y787 PolarHBondContact O-OH 3.14Å; C736-Y787 VanDerWaalsContact O-OH 3.1Å; L738-Y787 HydrophobicContact CB-CD2 4.32Å; L738-Y787 HydrophobicContact CB-CE2 4.18Å; L738-Y787 HydrophobicContact CD1-CD2 3.4Å; L738-Y787 HydrophobicContact CD1-CE2 3.67Å; L738-Y787 HydrophobicContact CD1-CG 3.98Å; L738-Y787 HydrophobicContact CD2-CD2 4.49Å; L738-Y787 HydrophobicContact CG-CD2 3.75Å; L738-Y787 HydrophobicContact CG-CE2 3.64Å; A783-Y787 PolarHBondContact O-N 3.06Å; A783-Y787 VanDerWaalsContact O-N 3.07Å; H784-Y787 WeakPolarHBondContact O-CB 3.46Å; H784-Y787 PolarHBondContact O-N 2.95Å; L785-Y787 VanDerWaalsContact C-N 3.28Å; L785-Y787 PolarHBondContact O-N 3.02Å; Y787-S790 PolarHBondContact O-N 2.88Å; Y787-N791 WeakPolarHBondContact CE1-ND2 3.49Å; Y787-N791 VanDerWaalsContact CE2-ND2 3.32Å; Y787-N791 WeakPolarHBondContact CE2-ND2 3.34Å; Y787-N791 WeakPolarHBondContact CE2-OD1 3.44Å; Y787-N791 VanDerWaalsContact CZ-ND2 3.28Å; Y787-N791 VanDerWaalsContact O-CG 3.31Å; Y787-N791 PolarHBondContact O-N 3.13Å; Y787-N791 VanDerWaalsContact O-N 3.11Å; Y787-N791 PolarHBondContact O-ND2 3.22Å; Y787-N791 PolarHBondContact OH-ND2 2.93Å; Y787-L872 HydrophobicContact CD2-CD2 4.36Å; Y787-L872 HydrophobicContact CE2-CD2 4.28Å
788	Q	89.5	Confident	87.8	Confident	63.6667 Å²	63.6667	27.7 Å²	27.7	30%	0.298	14%	0.142	S	C	.	.	H	α-helix	trans	-62.9	-45.8	176.4	-66.2	-174.2	-20.4	0	0	112	M764 H784 L785 K786 S790 N791 M792	M764-Q788 HydrophobicContact CE-CB 3.72Å; M764-Q788 VanDerWaalsContact CE-OE1 3.29Å; M764-Q788 HydrophobicContact SD-CB 4.08Å; H784-Q788 PolarHBondContact CE1-NE2 3.07Å; H784-Q788 PolarHBondContact CE1-OE1 3.08Å; H784-Q788 PolarHBondContact NE2-NE2 2.83Å; H784-Q788 PolarHBondContact O-N 2.93Å; H784-Q788 VanDerWaalsContact O-N 3.15Å; L785-Q788 WeakPolarHBondContact O-CB 3.48Å; L785-Q788 PolarHBondContact O-N 2.98Å; K786-Q788 PolarHBondContact O-N 2.81Å; Q788-S790 PolarHBondContact O-N 2.98Å; Q788-N791 PolarHBondContact O-N 3.2Å; Q788-M792 HydrophobicContact CB-CE 4.31Å; Q788-M792 WeakPolarHBondContact O-CG 3.42Å; Q788-M792 PolarHBondContact O-N 3.37Å; Q788-M792 VanDerWaalsContact O-N 3.12Å
789	F	92	Very high	88.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-42.9	174.9	-70.9	-62.4	0	0	0	112.6	V432 A612 F723 F727 M764 I766 L785 K786 N791 M792 A793 V802	V432-F789 HydrophobicContact CB-CE1 4.36Å; V432-F789 HydrophobicContact CG1-CD1 4.29Å; V432-F789 HydrophobicContact CG1-CE1 3.61Å; V432-F789 HydrophobicContact CG1-CZ 4.34Å; V432-F789 HydrophobicContact CG2-CE1 3.77Å; V432-F789 HydrophobicContact CG2-CZ 3.74Å; A612-F789 HydrophobicContact CB-CD1 4.25Å; A612-F789 HydrophobicContact CB-CD2 3.76Å; A612-F789 HydrophobicContact CB-CE1 3.85Å; A612-F789 HydrophobicContact CB-CE2 3.31Å; A612-F789 HydrophobicContact CB-CG 4.21Å; A612-F789 HydrophobicContact CB-CZ 3.35Å; F723-F789 HydrophobicContact CE2-CD1 4.3Å; F723-F789 AromaticContact CZ-CD1 3.89Å; F723-F789 HydrophobicContact CZ-CD1 3.94Å; F723-F789 HydrophobicContact CZ-CE1 4.38Å; F727-F789 HydrophobicContact CD2-CE1 4.23Å; F727-F789 HydrophobicContact CE2-CE1 4.08Å; M764-F789 HydrophobicContact CE-CD1 4.27Å; M764-F789 HydrophobicContact CE-CD2 4.18Å; M764-F789 HydrophobicContact CE-CE1 3.91Å; M764-F789 HydrophobicContact CE-CE2 3.83Å; M764-F789 HydrophobicContact CE-CG 4.33Å; M764-F789 HydrophobicContact CE-CZ 3.69Å; M764-F789 HydrophobicContact SD-CD1 4.23Å; M764-F789 HydrophobicContact SD-CE1 3.88Å; M764-F789 WeakPolarHBondContact SD-CE1 3.5Å; M764-F789 HydrophobicContact SD-CZ 4.2Å; I766-F789 HydrophobicContact CD1-CE1 4.4Å; I766-F789 HydrophobicContact CD1-CE2 4.45Å; I766-F789 HydrophobicContact CD1-CZ 3.68Å; L785-F789 HydrophobicContact CB-CD2 4.35Å; L785-F789 HydrophobicContact CB-CE2 4.13Å; L785-F789 WeakPolarHBondContact O-CD2 3.4Å; L785-F789 PolarHBondContact O-N 3.06Å; K786-F789 PolarHBondContact O-N 3.02Å; F789-N791 VanDerWaalsContact C-N 3.32Å; F789-N791 PolarHBondContact O-N 3.03Å; F789-M792 HydrophobicContact CB-CE 4.41Å; F789-M792 HydrophobicContact CD1-CE 3.33Å; F789-M792 HydrophobicContact CD1-SD 4.47Å; F789-M792 HydrophobicContact CE1-CE 3.86Å; F789-M792 HydrophobicContact CG-CE 4.13Å; F789-M792 WeakPolarHBondContact O-CB 3.41Å; F789-M792 PolarHBondContact O-N 3.05Å; F789-M792 VanDerWaalsContact O-N 3.11Å; F789-A793 PolarHBondContact O-N 2.91Å; F789-A793 VanDerWaalsContact O-N 3.17Å; F789-V802 HydrophobicContact CD2-CG2 3.75Å; F789-V802 HydrophobicContact CE2-CG1 4.43Å; F789-V802 HydrophobicContact CE2-CG2 4.26Å
790	S	89.6	Confident	88.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.2	-41.9	177.5	-55.7	0	0	0	0	112.2	K786 Y787 Q788 A793 H798 C846	K786-S790 WeakPolarHBondContact O-CB 3.25Å; K786-S790 PolarHBondContact O-N 3.05Å; K786-S790 PolarHBondContact O-OG 3.01Å; Y787-S790 PolarHBondContact O-N 2.88Å; Q788-S790 PolarHBondContact O-N 2.98Å; S790-A793 PolarHBondContact O-N 3.06Å; S790-H798 PolarHBondContact O-CE1 3.12Å; S790-C846 PolarHBondContact OG-SG 3.07Å; S790-C846 VanDerWaalsContact OG-SG 3.36Å
791	N	86	Confident	89.1	Confident	14 Å²	14	26 Å²	26	8%	0.075	13%	0.129	C	C	.	.	H	α-helix	trans	-70	-31.8	178	-71.6	-14.5	0	0	0	112.8	C736 Y787 Q788 F789 A793 Y794	C736-N791 VanDerWaalsContact CB-OD1 3.27Å; C736-N791 WeakPolarHBondContact CB-OD1 3.46Å; C736-N791 PolarHBondContact SG-OD1 3.49Å; Y787-N791 WeakPolarHBondContact CE1-ND2 3.49Å; Y787-N791 VanDerWaalsContact CE2-ND2 3.32Å; Y787-N791 WeakPolarHBondContact CE2-ND2 3.34Å; Y787-N791 WeakPolarHBondContact CE2-OD1 3.44Å; Y787-N791 VanDerWaalsContact CZ-ND2 3.28Å; Y787-N791 VanDerWaalsContact O-CG 3.31Å; Y787-N791 PolarHBondContact O-N 3.13Å; Y787-N791 VanDerWaalsContact O-N 3.11Å; Y787-N791 PolarHBondContact O-ND2 3.22Å; Y787-N791 PolarHBondContact OH-ND2 2.93Å; Q788-N791 PolarHBondContact O-N 3.2Å; F789-N791 VanDerWaalsContact C-N 3.32Å; F789-N791 PolarHBondContact O-N 3.03Å; N791-A793 VanDerWaalsContact C-N 3.3Å; N791-A793 PolarHBondContact O-N 3.09Å; N791-Y794 WeakPolarHBondContact O-CB 3.43Å; N791-Y794 PolarHBondContact O-N 3.02Å
792	M	87.5	Confident	89.3	Confident	7 Å²	7	25.6 Å²	25.6	3%	0.034	13%	0.127	C	C	.	.	H	α-helix	trans	-67.7	-30	175.8	-71.1	-179.6	-90.4	0	0	112.8	F723 R726 F727 T733 M764 Q788 F789 Y794	F723-M792 HydrophobicContact CD2-CB 3.81Å; F723-M792 HydrophobicContact CE2-CB 3.93Å; F723-M792 HydrophobicContact CE2-CE 4.09Å; F723-M792 HydrophobicContact CZ-CE 4.32Å; R726-M792 HydrophobicContact CB-CB 4.3Å; R726-M792 HydrophobicContact CB-CG 4.06Å; R726-M792 HydrophobicContact CB-SD 4.4Å; R726-M792 WeakPolarHBondContact CD-O 3.44Å; R726-M792 PolarHBondContact NH1-O 3.02Å; F727-M792 VanDerWaalsContact CA-SD 3.57Å; F727-M792 HydrophobicContact CB-SD 4.06Å; F727-M792 HydrophobicContact CD2-CE 3.96Å; F727-M792 HydrophobicContact CD2-SD 4.2Å; T733-M792 HydrophobicContact CG2-CE 4.24Å; T733-M792 HydrophobicContact CG2-CG 3.78Å; M764-M792 HydrophobicContact CB-CE 3.85Å; M764-M792 HydrophobicContact CB-SD 4.26Å; M764-M792 HydrophobicContact CE-CE 4.43Å; M764-M792 HydrophobicContact CG-CE 3.77Å; M764-M792 HydrophobicContact SD-CE 3.4Å; M764-M792 WeakPolarHBondContact SD-CE 3.39Å; M764-M792 HydrophobicContact SD-SD 3.9Å; Q788-M792 HydrophobicContact CB-CE 4.31Å; Q788-M792 WeakPolarHBondContact O-CG 3.42Å; Q788-M792 PolarHBondContact O-N 3.37Å; Q788-M792 VanDerWaalsContact O-N 3.12Å; F789-M792 HydrophobicContact CB-CE 4.41Å; F789-M792 HydrophobicContact CD1-CE 3.33Å; F789-M792 HydrophobicContact CD1-SD 4.47Å; F789-M792 HydrophobicContact CE1-CE 3.86Å; F789-M792 HydrophobicContact CG-CE 4.13Å; F789-M792 WeakPolarHBondContact O-CB 3.41Å; F789-M792 PolarHBondContact O-N 3.05Å; F789-M792 VanDerWaalsContact O-N 3.11Å; M792-Y794 VanDerWaalsContact C-N 3.32Å; M792-Y794 PolarHBondContact O-N 3.3Å
793	A	87.4	Confident	89.3	Confident	3.33333 Å²	3.33333	25.5 Å²	25.5	3%	0.028	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.6	179.3	0	0	0	0	0	115	V614 F616 F723 F789 S790 N791 R796 H798	V614-A793 HydrophobicContact CG1-CB 4.16Å; F616-A793 HydrophobicContact CE1-CB 3.98Å; F616-A793 HydrophobicContact CZ-CB 4.14Å; F723-A793 HydrophobicContact CD2-CB 4.27Å; F789-A793 PolarHBondContact O-N 2.91Å; F789-A793 VanDerWaalsContact O-N 3.17Å; S790-A793 PolarHBondContact O-N 3.06Å; N791-A793 VanDerWaalsContact C-N 3.3Å; N791-A793 PolarHBondContact O-N 3.09Å; A793-R796 WeakPolarHBondContact O-CB 3.4Å; A793-R796 WeakPolarHBondContact O-CD 3.43Å; A793-R796 WeakPolarHBondContact O-CG 3.42Å; A793-R796 PolarHBondContact O-N 3.34Å; A793-R796 VanDerWaalsContact O-N 3.1Å; A793-H798 WeakPolarHBondContact CB-CE1 3.3Å
794	Y	81.5	Confident	89.4	Confident	53.3333 Å²	53.3333	23.9 Å²	23.9	21%	0.209	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	137.1	178.3	172.7	-92.7	0	0	0	113.1	R726 P734 N791 M792 F848 I870	R726-Y794 PolarHBondContact NH1-O 3.11Å; R726-Y794 PolarHBondContact NH2-O 3.46Å; P734-Y794 HydrophobicContact CB-CD1 4.35Å; P734-Y794 HydrophobicContact CG-CD1 3.67Å; P734-Y794 HydrophobicContact CG-CE1 4.46Å; P734-Y794 HydrophobicContact CG-CG 3.91Å; N791-Y794 WeakPolarHBondContact O-CB 3.43Å; N791-Y794 PolarHBondContact O-N 3.02Å; M792-Y794 VanDerWaalsContact C-N 3.32Å; M792-Y794 PolarHBondContact O-N 3.3Å; Y794-F848 AromaticContact CD2-CD1 3.61Å; Y794-F848 HydrophobicContact CD2-CD1 3.61Å; Y794-F848 HydrophobicContact CD2-CD2 4.46Å; Y794-F848 AromaticContact CD2-CE1 3.63Å; Y794-F848 HydrophobicContact CD2-CE1 3.63Å; Y794-F848 HydrophobicContact CD2-CE2 4.49Å; Y794-F848 HydrophobicContact CD2-CG 4.05Å; Y794-F848 HydrophobicContact CD2-CZ 4.09Å; Y794-F848 HydrophobicContact CE2-CD1 4.21Å; Y794-F848 HydrophobicContact CG-CE1 4.38Å; Y794-F848 HydrophobicContact CG-CZ 4.49Å; Y794-I870 HydrophobicContact CD2-CG2 3.81Å; Y794-I870 HydrophobicContact CE1-CD1 4.02Å; Y794-I870 HydrophobicContact CE2-CB 4.46Å; Y794-I870 HydrophobicContact CE2-CD1 4.1Å; Y794-I870 HydrophobicContact CE2-CG1 4.33Å; Y794-I870 HydrophobicContact CE2-CG2 3.38Å; Y794-I870 VanDerWaalsContact CE2-CG2 3.44Å
795	P	78.7	Confident	89.4	Confident	63.6667 Å²	63.6667	21.5 Å²	21.5	41%	0.413	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	cis	-98.2	23.8	5.3	39.6	-37	0	0	0	114.1
796	R	83.1	Confident	89.4	Confident	36.3333 Å²	36.3333	23.7 Å²	23.7	14%	0.137	11%	0.111	C	C	.	.	S	Bend	trans	-85.8	132.3	-174.1	-62.8	-38.5	-173.6	153.7	6	111.8	Y436 F616 E618 E620 A793 H798 F848	Y436-R796 VanDerWaalsContact OH-CZ 3.29Å; Y436-R796 PolarHBondContact OH-NH1 2.86Å; Y436-R796 PolarHBondContact OH-NH2 2.8Å; Y436-R796 VanDerWaalsContact OH-NH2 3.17Å; F616-R796 HydrophobicContact CD1-CB 3.5Å; F616-R796 VanDerWaalsContact CD1-CB 3.42Å; F616-R796 HydrophobicContact CD1-CG 4.05Å; F616-R796 HydrophobicContact CE1-CB 3.77Å; F616-R796 HydrophobicContact CE1-CG 4.16Å; F616-R796 HydrophobicContact CG-CB 4.48Å; E618-R796 IonicContact OE2-NH1 3.59Å; E618-R796 PolarHBondContact OE2-NH1 3.28Å; E620-R796 WeakPolarHBondContact OE1-CG 3.18Å; E620-R796 IonicContact OE1-CZ 2.99Å; E620-R796 IonicContact OE1-NE 2.98Å; E620-R796 PolarHBondContact OE1-NE 3.47Å; E620-R796 IonicContact OE1-NH1 2.73Å; E620-R796 PolarHBondContact OE1-NH1 3.34Å; E620-R796 VanDerWaalsContact OE1-NH1 3.08Å; E620-R796 IonicContact OE1-NH2 3.27Å; E620-R796 PolarHBondContact OE1-NH2 2.82Å; E620-R796 IonicContact OE2-CZ 2.94Å; E620-R796 IonicContact OE2-NE 3.74Å; E620-R796 PolarHBondContact OE2-NE 2.97Å; E620-R796 IonicContact OE2-NH1 3.72Å; E620-R796 IonicContact OE2-NH2 3.38Å; E620-R796 PolarHBondContact OE2-NH2 2.82Å; A793-R796 WeakPolarHBondContact O-CB 3.4Å; A793-R796 WeakPolarHBondContact O-CD 3.43Å; A793-R796 WeakPolarHBondContact O-CG 3.42Å; A793-R796 PolarHBondContact O-N 3.34Å; A793-R796 VanDerWaalsContact O-N 3.1Å; R796-H798 PolarHBondContact O-ND1 3.16Å; R796-F848 VanDerWaalsContact O-CD2 3.27Å; R796-F848 WeakPolarHBondContact O-CD2 3.18Å; R796-F848 VanDerWaalsContact O-CE2 3.27Å; R796-F848 WeakPolarHBondContact O-CE2 3.39Å
797	D	88.8	Confident	89.4	Confident	15.6667 Å²	15.6667	25.7 Å²	25.7	8%	0.084	12%	0.12	C	C	.	.			trans	-69.5	136.1	167.9	-67.2	0.6	0	0	0	109.8	Y617 C846 L847 F848 R1382	Y617-D797 HydrophobicContact CD2-CB 3.79Å; Y617-D797 HydrophobicContact CE2-CB 4.24Å; Y617-D797 HydrophobicContact CG-CB 4.33Å; Y617-D797 PolarHBondContact N-O 3.24Å; Y617-D797 VanDerWaalsContact N-O 3.09Å; D797-C846 WeakPolarHBondContact CA-O 3.37Å; D797-L847 HydrophobicContact CB-CD2 3.93Å; D797-L847 WeakPolarHBondContact OD1-CA 3.43Å; D797-L847 WeakPolarHBondContact OD2-CD2 3.42Å; D797-F848 PolarHBondContact OD1-N 3.07Å; D797-R1382 IonicContact OD1-NH1 3.27Å; D797-R1382 PolarHBondContact OD1-NH1 2.94Å; D797-R1382 IonicContact OD2-CZ 3.06Å; D797-R1382 IonicContact OD2-NH1 3.28Å; D797-R1382 PolarHBondContact OD2-NH1 3.08Å; D797-R1382 IonicContact OD2-NH2 2.77Å
798	H	91.9	Very high	89.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	158.4	-170.6	61.8	-79.5	0	0	0	113.1	V614 A615 F616 Y617 S790 A793 R796 C846 F848	V614-H798 HydrophobicContact CG1-CB 4.01Å; A615-H798 CarbonylContact O-C 3.54Å; A615-H798 WeakPolarHBondContact O-CA 3.25Å; A615-H798 VanDerWaalsContact O-CB 3.31Å; A615-H798 WeakPolarHBondContact O-CB 3.38Å; F616-H798 HydrophobicContact CD1-CB 4.02Å; F616-H798 HydrophobicContact CE1-CB 4.3Å; Y617-H798 VanDerWaalsContact CE1-C 3.41Å; S790-H798 PolarHBondContact O-CE1 3.12Å; A793-H798 WeakPolarHBondContact CB-CE1 3.3Å; R796-H798 PolarHBondContact O-ND1 3.16Å; H798-C846 WeakPolarHBondContact CE1-CB 3.39Å; H798-C846 PolarHBondContact N-O 3.03Å; H798-C846 VanDerWaalsContact N-O 3.13Å; H798-C846 WeakPolarHBondContact NE2-CB 3.4Å; H798-C846 PolarHBondContact O-N 3.07Å; H798-F848 AromaticContact CE1-CE2 3.87Å
799	L	94.3	Very high	89.7	Confident	33.3333 Å²	33.3333	24.4 Å²	24.4	18%	0.175	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.1	156.6	-73.2	168.2	0	0	0	109.1	V614 A615 Y617 L843 S844 E845 L877 I952 I956	V614-L799 CarbonylContact C-O 3.56Å; V614-L799 WeakPolarHBondContact CA-O 3.37Å; A615-L799 HydrophobicContact CB-CB 4.36Å; A615-L799 PolarHBondContact N-O 3.26Å; A615-L799 PolarHBondContact O-N 3.29Å; Y617-L799 HydrophobicContact CE1-CB 4.39Å; Y617-L799 HydrophobicContact CE1-CD1 4.26Å; Y617-L799 HydrophobicContact CE1-CD2 4.44Å; Y617-L799 HydrophobicContact CE1-CG 3.92Å; Y617-L799 WeakPolarHBondContact OH-CD2 3.42Å; L799-L843 HydrophobicContact CD2-CD1 4.29Å; L799-S844 CarbonylContact C-O 3.53Å; L799-S844 WeakPolarHBondContact CA-O 3.43Å; L799-E845 HydrophobicContact CD2-CB 4.28Å; L799-L877 HydrophobicContact CD2-CD1 3.49Å; L799-L877 VanDerWaalsContact CD2-CD1 3.43Å; L799-I952 HydrophobicContact CD2-CD1 4.28Å; L799-I956 HydrophobicContact CD1-CG2 4.05Å
800	C	95.1	Very high	89.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.5	171.5	-175.1	0	0	0	0	109	S844	C800-S844 PolarHBondContact N-O 3.03Å; C800-S844 PolarHBondContact O-N 3.16Å; C800-S844 PolarHBondContact O-OG 3.03Å
801	F	95	Very high	89.6	Confident	54.5 Å²	54.5	28.3 Å²	28.3	24%	0.239	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.9	169.4	172	-91.3	0	0	0	109.3	I611 A612 F613 W806 V841 H842 L843	I611-F801 HydrophobicContact CG2-CE1 4.43Å; A612-F801 CarbonylContact C-O 3.57Å; A612-F801 VanDerWaalsContact CA-O 3.31Å; A612-F801 WeakPolarHBondContact CA-O 3.41Å; F613-F801 HydrophobicContact CB-CB 4.34Å; F613-F801 HydrophobicContact CB-CD1 4.34Å; F613-F801 PolarHBondContact N-O 2.99Å; F613-F801 PolarHBondContact O-N 2.93Å; F801-W806 HydrophobicContact CE1-CH2 4.24Å; F801-W806 HydrophobicContact CE1-CZ2 4.15Å; F801-W806 HydrophobicContact CZ-CH2 4.25Å; F801-W806 AromaticContact CZ-CZ2 3.94Å; F801-W806 HydrophobicContact CZ-CZ2 4Å; F801-V841 HydrophobicContact CD2-CG1 4.38Å; F801-V841 HydrophobicContact CE2-CG1 3.55Å; F801-V841 VanDerWaalsContact CE2-CG1 3.42Å; F801-V841 HydrophobicContact CZ-CG1 3.99Å; F801-H842 CarbonylContact C-O 3.56Å; F801-H842 WeakPolarHBondContact CA-O 3.41Å; F801-L843 HydrophobicContact CB-CD1 3.94Å; F801-L843 HydrophobicContact CD2-CB 4.47Å; F801-L843 HydrophobicContact CD2-CD1 4.36Å
802	V	94.2	Very high	89.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	124	172.8	-172.9	0	0	0	0	109.7	I611 A612 V782 L785 K786 F789 V841 H842	I611-V802 CarbonylContact O-C 3.54Å; I611-V802 WeakPolarHBondContact O-CA 3.33Å; A612-V802 HydrophobicContact CB-CG2 4.23Å; V782-V802 HydrophobicContact CG1-CB 4.09Å; V782-V802 HydrophobicContact CG1-CG1 4.01Å; V782-V802 WeakPolarHBondContact CG1-O 3.37Å; L785-V802 HydrophobicContact CB-CG1 4.17Å; L785-V802 HydrophobicContact CD1-CG1 4.49Å; K786-V802 HydrophobicContact CB-CB 4.32Å; K786-V802 HydrophobicContact CB-CG2 3.8Å; K786-V802 HydrophobicContact CG-CG2 4.43Å; F789-V802 HydrophobicContact CD2-CG2 3.75Å; F789-V802 HydrophobicContact CE2-CG1 4.43Å; F789-V802 HydrophobicContact CE2-CG2 4.26Å; V802-V841 CarbonylContact O-C 3.55Å; V802-V841 WeakPolarHBondContact O-CA 3.39Å; V802-H842 PolarHBondContact N-O 3.13Å; V802-H842 PolarHBondContact O-N 3.06Å
803	G	92.2	Very high	89.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.7	168.3	0	0	0	0	0	110.6	C610 I611 W806 G840	C610-G803 CarbonylContact C-O 3.55Å; C610-G803 WeakPolarHBondContact CA-O 3.41Å; I611-G803 PolarHBondContact N-O 2.99Å; I611-G803 PolarHBondContact O-N 3.13Å; G803-W806 VanDerWaalsContact C-NE1 3.28Å; G803-W806 PolarHBondContact O-NE1 3.06Å; G803-G840 CarbonylContact C-O 3.55Å; G803-G840 WeakPolarHBondContact CA-O 3.3Å
804	G	89.4	Confident	88.5	Confident	0.75 Å²	0.75	35.1 Å²	35.1	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.4	-178.7	0	0	0	0	0	113.2	G840	G804-G840 PolarHBondContact N-O 3.08Å; G804-G840 PolarHBondContact O-N 2.93Å
805	L	90	Very high	87.9	Confident	32.25 Å²	32.25	34.2 Å²	34.2	17%	0.169	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	71.8	175.9	-54.3	172.4	0	0	0	112.3	I608 L609 R768 V771 P778 W781 F839	I608-L805 CarbonylContact O-C 3.4Å; I608-L805 WeakPolarHBondContact O-CA 3.4Å; L609-L805 HydrophobicContact CD1-CD2 4.02Å; L609-L805 PolarHBondContact O-N 2.89Å; R768-L805 HydrophobicContact CB-CD2 4.35Å; V771-L805 HydrophobicContact CG1-CD1 4.12Å; P778-L805 HydrophobicContact CB-CD1 4.39Å; P778-L805 HydrophobicContact CG-CD1 4.47Å; W781-L805 HydrophobicContact CZ3-CD2 4.44Å; W781-L805 HydrophobicContact CZ3-CG 4.2Å; L805-F839 HydrophobicContact CB-CB 4.16Å; L805-F839 HydrophobicContact CB-CD2 4.05Å; L805-F839 HydrophobicContact CB-CG 4.45Å; L805-F839 HydrophobicContact CD1-CB 4.4Å; L805-F839 VanDerWaalsContact O-CD2 3.26Å; L805-F839 WeakPolarHBondContact O-CD2 3.31Å; L805-F839 PolarHBondContact O-N 2.96Å
806	W	91.2	Very high	87.2	Confident	51 Å²	51	33.7 Å²	33.7	19%	0.193	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	137.9	176.2	-57	34.7	0	0	0	109.4	N607 I608 I611 F801 G803 Q837 L838	N607-W806 CarbonylContact C-O 3.5Å; N607-W806 VanDerWaalsContact CA-O 3.31Å; N607-W806 WeakPolarHBondContact CA-O 3.36Å; I608-W806 HydrophobicContact CB-CB 4.07Å; I608-W806 HydrophobicContact CB-CG 4.36Å; I608-W806 HydrophobicContact CD1-CB 4.42Å; I608-W806 HydrophobicContact CD1-CE3 4.34Å; I608-W806 HydrophobicContact CG1-CB 4.28Å; I608-W806 PolarHBondContact N-O 3.01Å; I608-W806 PolarHBondContact O-N 3.33Å; I611-W806 HydrophobicContact CB-CZ2 4.12Å; I611-W806 HydrophobicContact CD1-CD2 4.06Å; I611-W806 HydrophobicContact CD1-CE3 4.03Å; I611-W806 HydrophobicContact CD1-CG 4.48Å; I611-W806 HydrophobicContact CD1-CH2 4.01Å; I611-W806 HydrophobicContact CD1-CZ2 4.02Å; I611-W806 HydrophobicContact CD1-CZ3 4Å; I611-W806 VanDerWaalsContact CD1-CZ3 3.5Å; I611-W806 HydrophobicContact CG1-CD2 4.49Å; I611-W806 HydrophobicContact CG1-CE3 4.47Å; I611-W806 HydrophobicContact CG1-CZ2 4.23Å; F801-W806 HydrophobicContact CE1-CH2 4.24Å; F801-W806 HydrophobicContact CE1-CZ2 4.15Å; F801-W806 HydrophobicContact CZ-CH2 4.25Å; F801-W806 AromaticContact CZ-CZ2 3.94Å; F801-W806 HydrophobicContact CZ-CZ2 4Å; G803-W806 VanDerWaalsContact C-NE1 3.28Å; G803-W806 PolarHBondContact O-NE1 3.06Å; W806-Q837 CarbonylContact C-O 3.48Å; W806-Q837 WeakPolarHBondContact CA-O 3.36Å; W806-L838 HydrophobicContact CB-CD2 3.88Å; W806-L838 HydrophobicContact CD2-CD2 3.7Å; W806-L838 HydrophobicContact CD2-CG 3.94Å; W806-L838 VanDerWaalsContact CE2-CD2 3.49Å; W806-L838 HydrophobicContact CE3-CD1 4.28Å; W806-L838 HydrophobicContact CE3-CD2 3.9Å; W806-L838 HydrophobicContact CE3-CG 4.07Å; W806-L838 HydrophobicContact CG-CD2 4.09Å; W806-L838 VanDerWaalsContact CG-CD2 3.49Å; W806-L838 HydrophobicContact CG-CG 4.28Å; W806-L838 HydrophobicContact CH2-CD2 3.73Å; W806-L838 HydrophobicContact CZ2-CD2 3.61Å; W806-L838 HydrophobicContact CZ3-CD1 4.5Å; W806-L838 HydrophobicContact CZ3-CD2 3.86Å; W806-L838 HydrophobicContact CZ3-CG 4.29Å
807	H	92.1	Very high	86.1	Confident	45.5 Å²	45.5	33.7 Å²	33.7	21%	0.211	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.5	173.6	178.2	-1.3	0	0	0	108.9	N607 E809 I836 Q837	N607-H807 PolarHBondContact OD1-CD2 3.24Å; N607-H807 PolarHBondContact OD1-ND1 3.18Å; H807-E809 VanDerWaalsContact CE1-CG 3.43Å; H807-E809 WeakPolarHBondContact CE1-CG 3.47Å; H807-E809 IonicContact CE1-OE1 3.21Å; H807-E809 PolarHBondContact CE1-OE1 3.16Å; H807-I836 CarbonylContact O-C 3.5Å; H807-I836 WeakPolarHBondContact O-CA 3.33Å; H807-Q837 HydrophobicContact CB-CB 4.38Å; H807-Q837 PolarHBondContact N-O 3.04Å; H807-Q837 PolarHBondContact O-N 3.18Å
808	V	92.5	Very high	84.3	Confident	17.75 Å²	17.75	36.7 Å²	36.7	11%	0.108	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.3	-172.6	174	0	0	0	0	109	S605 L606 L810 N835 I836	S605-V808 CarbonylContact C-O 3.55Å; S605-V808 VanDerWaalsContact CA-O 3.27Å; S605-V808 WeakPolarHBondContact CA-O 3.37Å; L606-V808 HydrophobicContact CB-CB 4.12Å; L606-V808 HydrophobicContact CB-CG1 4.5Å; L606-V808 HydrophobicContact CD2-CB 4.34Å; L606-V808 HydrophobicContact CD2-CG1 4.5Å; L606-V808 HydrophobicContact CG-CB 4.44Å; L606-V808 PolarHBondContact N-O 3Å; L606-V808 WeakPolarHBondContact O-CB 3.21Å; L606-V808 PolarHBondContact O-N 2.97Å; V808-L810 HydrophobicContact CG1-CD1 3.54Å; V808-L810 HydrophobicContact CG1-CD2 4.39Å; V808-L810 HydrophobicContact CG1-CG 4.25Å; V808-N835 CarbonylContact C-O 3.55Å; V808-I836 HydrophobicContact CB-CG1 4.4Å; V808-I836 HydrophobicContact CG1-CD1 4.4Å; V808-I836 HydrophobicContact CG1-CG1 4.01Å; V808-I836 HydrophobicContact CG2-CB 4.45Å; V808-I836 HydrophobicContact CG2-CD1 4.38Å; V808-I836 HydrophobicContact CG2-CG1 4.14Å; V808-I836 HydrophobicContact CG2-CG2 4.15Å
809	E	92.1	Very high	82.2	Confident	83.75 Å²	83.75	38.6 Å²	38.6	39%	0.391	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.8	171.5	-57.5	-179.2	131.2	0	0	109.6	M604 H807 F834 N835	M604-E809 CarbonylContact O-C 3.56Å; M604-E809 WeakPolarHBondContact O-CA 3.26Å; H807-E809 VanDerWaalsContact CE1-CG 3.43Å; H807-E809 WeakPolarHBondContact CE1-CG 3.47Å; H807-E809 IonicContact CE1-OE1 3.21Å; H807-E809 PolarHBondContact CE1-OE1 3.16Å; E809-F834 CarbonylContact O-C 3.53Å; E809-F834 VanDerWaalsContact O-CA 3.29Å; E809-F834 WeakPolarHBondContact O-CA 3.26Å; E809-N835 HydrophobicContact CB-CB 4.29Å; E809-N835 PolarHBondContact N-O 3.05Å; E809-N835 PolarHBondContact O-N 3.25Å; E809-N835 PolarHBondContact OE2-ND2 3.05Å
810	L	90.1	Very high	80	Confident	53.75 Å²	53.75	42.5 Å²	42.5	28%	0.281	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.6	172.4	-56.8	158	0	0	0	108.5	S603 M604 V808 L832 C833 F834	S603-L810 CarbonylContact C-O 3.55Å; S603-L810 VanDerWaalsContact CA-O 3.24Å; S603-L810 WeakPolarHBondContact CA-O 3.36Å; M604-L810 HydrophobicContact CB-CB 4.33Å; M604-L810 HydrophobicContact CB-CD1 4.48Å; M604-L810 HydrophobicContact CE-CD1 3.72Å; M604-L810 HydrophobicContact CE-CG 4.33Å; M604-L810 PolarHBondContact N-O 3.24Å; M604-L810 PolarHBondContact O-N 3.22Å; V808-L810 HydrophobicContact CG1-CD1 3.54Å; V808-L810 HydrophobicContact CG1-CD2 4.39Å; V808-L810 HydrophobicContact CG1-CG 4.25Å; L810-L832 HydrophobicContact CB-CD1 4.36Å; L810-L832 HydrophobicContact CD2-CD1 4.36Å; L810-C833 CarbonylContact C-O 3.5Å; L810-C833 VanDerWaalsContact CA-O 3.32Å; L810-C833 WeakPolarHBondContact CA-O 3.29Å; L810-F834 HydrophobicContact CD2-CB 3.55Å; L810-F834 VanDerWaalsContact CD2-CB 3.49Å; L810-F834 HydrophobicContact CG-CB 4.44Å
811	S	87.7	Confident	77.7	Confident	29 Å²	29	52.6 Å²	52.6	20%	0.203	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.6	167.4	70.8	0	0	0	0	111	C602 N813 C833	C602-S811 CarbonylContact O-C 3.55Å; C602-S811 VanDerWaalsContact O-CA 3.31Å; C602-S811 WeakPolarHBondContact O-CA 3.35Å; S811-N813 PolarHBondContact O-ND2 3.02Å; S811-N813 PolarHBondContact OG-ND2 2.81Å; S811-C833 PolarHBondContact N-O 2.99Å; S811-C833 PolarHBondContact O-N 3.14Å; S811-C833 WeakPolarHBondContact OG-CB 3.43Å
812	N	85	Confident	75.4	Confident	62.75 Å²	62.75	52.1 Å²	52.1	34%	0.336	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.1	177.2	-173.9	-2.6	0	0	0	109.5	K601 C602 T830 Q831 L832	K601-N812 PolarHBondContact N-O 3.36Å; K601-N812 VanDerWaalsContact N-O 3.08Å; C602-N812 HydrophobicContact CB-CB 4.42Å; C602-N812 PolarHBondContact N-O 3.09Å; C602-N812 PolarHBondContact O-N 3.22Å; N812-T830 WeakPolarHBondContact ND2-CG2 3.45Å; N812-T830 VanDerWaalsContact OD1-CG2 3.3Å; N812-T830 WeakPolarHBondContact OD1-CG2 3.27Å; N812-Q831 WeakPolarHBondContact CA-O 3.37Å; N812-Q831 PolarHBondContact OD1-O 2.81Å; N812-L832 HydrophobicContact CB-CD1 4.48Å
813	N	80	Confident	73.2	Confident	19.75 Å²	19.75	59.6 Å²	59.6	11%	0.106	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.2	179.4	-57.4	-55.5	0	0	0	109.3	V598 A599 T600 K601 S811 Q831 C833	V598-N813 HydrophobicContact CG1-CB 4.04Å; A599-N813 WeakPolarHBondContact O-CA 3.45Å; T600-N813 WeakPolarHBondContact CG2-OD1 3.42Å; K601-N813 WeakPolarHBondContact CD-OD1 3.44Å; K601-N813 WeakPolarHBondContact CE-OD1 3.44Å; K601-N813 PolarHBondContact NZ-OD1 3.03Å; S811-N813 PolarHBondContact O-ND2 3.02Å; S811-N813 PolarHBondContact OG-ND2 2.81Å; N813-Q831 HydrophobicContact CB-CB 4.32Å; N813-Q831 PolarHBondContact N-O 3.01Å; N813-Q831 PolarHBondContact O-N 3.15Å; N813-C833 PolarHBondContact ND2-SG 2.85Å
814	Y	74.2	Confident	71.1	Confident	83.5 Å²	83.5	65.9 Å²	65.9	33%	0.327	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.3	173.4	-168.3	-102.4	0	0	0	109.4	V598 A599 T600 K601 V816 S828 T830 D916	V598-Y814 WeakPolarHBondContact CA-O 3.32Å; A599-Y814 HydrophobicContact CB-CD1 4.06Å; A599-Y814 PolarHBondContact N-O 2.94Å; A599-Y814 VanDerWaalsContact N-O 3.14Å; A599-Y814 PolarHBondContact O-N 2.92Å; T600-Y814 PolarHBondContact O-N 3.44Å; T600-Y814 WeakPolarHBondContact OG1-CB 3.14Å; K601-Y814 HydrophobicContact CD-CG 4.46Å; K601-Y814 VanDerWaalsContact NZ-CG 3.31Å; Y814-V816 HydrophobicContact CD1-CG2 3.92Å; Y814-V816 HydrophobicContact CE1-CG2 3.6Å; Y814-S828 VanDerWaalsContact CZ-CB 3.45Å; Y814-S828 VanDerWaalsContact OH-CB 3.25Å; Y814-S828 WeakPolarHBondContact OH-CB 3.31Å; Y814-T830 HydrophobicContact CD2-CG2 3.99Å; Y814-T830 HydrophobicContact CE2-CG2 4.49Å; Y814-D916 PolarHBondContact OH-OD2 2.83Å
815	L	69.1	Low	69.1	Low	34.25 Å²	34.25	70.4 Å²	70.4	18%	0.179	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.5	-178.9	-130.8	105	0	0	0	109.7	A596 V598 I817 S828 S829 Q831 Y911	A596-L815 HydrophobicContact CB-CD1 3.69Å; A596-L815 HydrophobicContact CB-CG 4.42Å; V598-L815 HydrophobicContact CG2-CD1 3.93Å; V598-L815 HydrophobicContact CG2-CD2 4.05Å; L815-I817 HydrophobicContact CD2-CD1 4.08Å; L815-I817 HydrophobicContact CD2-CG1 4.01Å; L815-I817 HydrophobicContact CG-CG1 4.07Å; L815-S828 WeakPolarHBondContact O-CA 3.22Å; L815-S829 WeakPolarHBondContact CB-O 3.37Å; L815-S829 PolarHBondContact N-O 3.25Å; L815-S829 PolarHBondContact O-N 2.96Å; L815-Q831 HydrophobicContact CD1-CB 4.13Å; L815-Q831 HydrophobicContact CG-CB 4.48Å; L815-Y911 HydrophobicContact CD1-CE1 4.26Å
816	V	63.9	Low	67.3	Low	53.25 Å²	53.25	76.5 Å²	76.5	32%	0.323	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.5	170.2	-179	0	0	0	0	108.5	Q597 Y814 P818 Y826	Q597-V816 PolarHBondContact O-N 2.65Å; Y814-V816 HydrophobicContact CD1-CG2 3.92Å; Y814-V816 HydrophobicContact CE1-CG2 3.6Å; V816-P818 WeakPolarHBondContact O-CD 3.44Å; V816-Y826 HydrophobicContact CG1-CD1 3.74Å; V816-Y826 HydrophobicContact CG1-CE1 4.4Å; V816-Y826 HydrophobicContact CG1-CG 4.28Å
817	I	59	Low	65.7	Low	37.75 Å²	37.75	79 Å²	79	19%	0.194	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.5	178.2	-53.6	179.3	0	0	0	108.7	L815 N819 Y827 F933	L815-I817 HydrophobicContact CD2-CD1 4.08Å; L815-I817 HydrophobicContact CD2-CG1 4.01Å; L815-I817 HydrophobicContact CG-CG1 4.07Å; I817-N819 PolarHBondContact O-N 3.33Å; I817-Y827 PolarHBondContact N-O 3.09Å; I817-Y827 PolarHBondContact O-N 3.11Å; I817-F933 HydrophobicContact CD1-CE1 4.16Å; I817-F933 HydrophobicContact CD1-CZ 4.01Å
818	P	50.7	Low	64.3	Low	78.5 Å²	78.5	77.5 Å²	77.5	51%	0.51	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.3	175.1	28.8	-32.3	0	0	0	110.8	V816 S820 Y826	V816-P818 WeakPolarHBondContact O-CD 3.44Å; P818-S820 PolarHBondContact O-N 2.91Å; P818-S820 VanDerWaalsContact O-N 3.16Å; P818-Y826 HydrophobicContact CB-CD1 4.38Å; P818-Y826 HydrophobicContact CB-CE1 4.3Å
819	N	49.5	Very low	63.2	Low	38.5 Å²	38.5	76.8 Å²	76.8	21%	0.206	39%	0.385	C	S	.	.			trans	-71.6	112.2	175.4	-174.7	-5.5	0	0	0	110.3	I817 R821 S822 Q825 Y827	I817-N819 PolarHBondContact O-N 3.33Å; N819-R821 PolarHBondContact O-N 2.9Å; N819-R821 PolarHBondContact OD1-N 3Å; N819-S822 PolarHBondContact O-N 3.27Å; N819-S822 VanDerWaalsContact O-N 3.1Å; N819-Q825 HydrophobicContact CB-CB 4.1Å; N819-Q825 VanDerWaalsContact CB-O 3.25Å; N819-Q825 WeakPolarHBondContact CB-O 3.29Å; N819-Q825 PolarHBondContact N-O 3.06Å; N819-Q825 PolarHBondContact ND2-OE1 2.98Å; N819-Y827 HydrophobicContact CB-CD2 4.33Å; N819-Y827 HydrophobicContact CB-CE2 4.24Å
820	S	46.4	Very low	62.4	Low	116 Å²	116	73.7 Å²	73.7	81%	0.811	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-0.6	-174.1	66.8	0	0	0	0	116.3	P818	P818-S820 PolarHBondContact O-N 2.91Å; P818-S820 VanDerWaalsContact O-N 3.16Å
821	R	48.1	Very low	62.1	Low	212 Å²	212	72.5 Å²	72.5	80%	0.8	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	1.5	-178.3	-67	-174	176.5	-178.6	-0.5	115.5	N819	N819-R821 PolarHBondContact O-N 2.9Å; N819-R821 PolarHBondContact OD1-N 3Å
822	S	45.8	Very low	62	Low	44 Å²	44	73.3 Å²	73.3	31%	0.308	37%	0.366	S	S	.	.			trans	-145.2	125.1	174.5	141.1	0	0	0	0	110.4	N819 N824 Q825	N819-S822 PolarHBondContact O-N 3.27Å; N819-S822 VanDerWaalsContact O-N 3.1Å; S822-N824 PolarHBondContact O-N 3.05Å; S822-N824 VanDerWaalsContact O-N 3.09Å; S822-Q825 PolarHBondContact O-N 2.85Å
823	I	48.9	Very low	62.2	Low	157.75 Å²	157.75	71.6 Å²	71.6	81%	0.809	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.4	-175.7	-66.1	172.3	0	0	0	112.3
824	N	46.4	Very low	62.8	Low	132.75 Å²	132.75	72 Å²	72	71%	0.71	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	23.2	-171.7	-65.6	-4.2	0	0	0	114.3	S822	S822-N824 PolarHBondContact O-N 3.05Å; S822-N824 VanDerWaalsContact O-N 3.09Å
825	Q	47.9	Very low	63.7	Low	93.75 Å²	93.75	69.4 Å²	69.4	44%	0.438	35%	0.352	S	S	.	.			trans	-127.3	116	173.9	-74.9	-179.9	-19.8	0	0	111.5	N819 S822	N819-Q825 HydrophobicContact CB-CB 4.1Å; N819-Q825 VanDerWaalsContact CB-O 3.25Å; N819-Q825 WeakPolarHBondContact CB-O 3.29Å; N819-Q825 PolarHBondContact N-O 3.06Å; N819-Q825 PolarHBondContact ND2-OE1 2.98Å; S822-Q825 PolarHBondContact O-N 2.85Å
826	Y	53.2	Low	64.8	Low	160.5 Å²	160.5	69.5 Å²	69.5	63%	0.629	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	136	172.2	-63.8	-81.3	0	0	0	108.7	V816 P818	V816-Y826 HydrophobicContact CG1-CD1 3.74Å; V816-Y826 HydrophobicContact CG1-CE1 4.4Å; V816-Y826 HydrophobicContact CG1-CG 4.28Å; P818-Y826 HydrophobicContact CB-CD1 4.38Å; P818-Y826 HydrophobicContact CB-CE1 4.3Å
827	Y	57.7	Low	66.2	Low	105.25 Å²	105.25	68.8 Å²	68.8	41%	0.413	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126	168.6	-67.2	-79.4	0	0	0	109.2	I817 N819	I817-Y827 PolarHBondContact N-O 3.09Å; I817-Y827 PolarHBondContact O-N 3.11Å; N819-Y827 HydrophobicContact CB-CD2 4.33Å; N819-Y827 HydrophobicContact CB-CE2 4.24Å
828	S	62.1	Low	67.7	Low	13.5 Å²	13.5	67.7 Å²	67.7	9%	0.094	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.4	173.9	44.8	0	0	0	0	110.1	Y814 L815 H914 D916	Y814-S828 VanDerWaalsContact CZ-CB 3.45Å; Y814-S828 VanDerWaalsContact OH-CB 3.25Å; Y814-S828 WeakPolarHBondContact OH-CB 3.31Å; L815-S828 WeakPolarHBondContact O-CA 3.22Å; S828-H914 PolarHBondContact O-N 3.02Å; S828-H914 VanDerWaalsContact O-N 3.11Å; S828-H914 VanDerWaalsContact O-O 3.1Å; S828-H914 PolarHBondContact OG-O 2.9Å; S828-D916 WeakPolarHBondContact CB-OD2 3.38Å; S828-D916 PolarHBondContact OG-OD2 3.12Å; S828-D916 VanDerWaalsContact OG-OD2 3.06Å
829	S	69.3	Low	69.6	Low	2 Å²	2	66.3 Å²	66.3	1%	0.014	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.3	173.7	-175.9	0	0	0	0	110.1	L815 F912	L815-S829 WeakPolarHBondContact CB-O 3.37Å; L815-S829 PolarHBondContact N-O 3.25Å; L815-S829 PolarHBondContact O-N 2.96Å; S829-F912 CarbonylContact C-O 3.54Å; S829-F912 VanDerWaalsContact CA-O 3.28Å; S829-F912 WeakPolarHBondContact CA-O 3.39Å; S829-F912 PolarHBondContact OG-O 2.97Å
830	T	75.1	Confident	71.3	Confident	18.5 Å²	18.5	64.5 Å²	64.5	11%	0.113	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.6	176	-44.2	0	0	0	0	108.2	N812 Y814 Y911 F912 H914	N812-T830 WeakPolarHBondContact ND2-CG2 3.45Å; N812-T830 VanDerWaalsContact OD1-CG2 3.3Å; N812-T830 WeakPolarHBondContact OD1-CG2 3.27Å; Y814-T830 HydrophobicContact CD2-CG2 3.99Å; Y814-T830 HydrophobicContact CE2-CG2 4.49Å; T830-Y911 WeakPolarHBondContact O-CA 3.35Å; T830-F912 HydrophobicContact CG2-CD2 4.43Å; T830-F912 PolarHBondContact N-O 2.99Å; T830-F912 WeakPolarHBondContact O-CD2 3.31Å; T830-F912 PolarHBondContact O-N 3.29Å; T830-F912 PolarHBondContact OG1-O 2.78Å; T830-H914 PolarHBondContact OG1-CD2 3.11Å; T830-H914 VanDerWaalsContact OG1-CD2 3.25Å; T830-H914 PolarHBondContact OG1-NE2 3Å
831	Q	83.9	Confident	73.4	Confident	29 Å²	29	59.4 Å²	59.4	14%	0.136	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.1	175.5	-178.9	-173.7	2.6	0	0	109.7	N812 N813 L815 C833 N909 L910 Y911	N812-Q831 WeakPolarHBondContact CA-O 3.37Å; N812-Q831 PolarHBondContact OD1-O 2.81Å; N813-Q831 HydrophobicContact CB-CB 4.32Å; N813-Q831 PolarHBondContact N-O 3.01Å; N813-Q831 PolarHBondContact O-N 3.15Å; L815-Q831 HydrophobicContact CD1-CB 4.13Å; L815-Q831 HydrophobicContact CG-CB 4.48Å; Q831-C833 PolarHBondContact NE2-SG 3.15Å; Q831-C833 VanDerWaalsContact NE2-SG 3.38Å; Q831-N909 PolarHBondContact NE2-OD1 3.03Å; Q831-L910 CarbonylContact C-O 3.55Å; Q831-L910 VanDerWaalsContact CA-O 3.3Å; Q831-L910 WeakPolarHBondContact CA-O 3.34Å; Q831-Y911 HydrophobicContact CB-CD1 3.95Å; Q831-Y911 HydrophobicContact CB-CE1 3.88Å; Q831-Y911 HydrophobicContact CG-CD1 4.01Å; Q831-Y911 HydrophobicContact CG-CE1 3.59Å; Q831-Y911 PolarHBondContact NE2-OH 2.92Å
832	L	86.1	Confident	75.5	Confident	46 Å²	46	49.8 Å²	49.8	24%	0.241	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.1	170.3	180	63.9	0	0	0	109.6	L810 N812 N909 L910 F912	L810-L832 HydrophobicContact CB-CD1 4.36Å; L810-L832 HydrophobicContact CD2-CD1 4.36Å; N812-L832 HydrophobicContact CB-CD1 4.48Å; L832-N909 CarbonylContact O-C 3.44Å; L832-N909 WeakPolarHBondContact O-CA 3.13Å; L832-L910 HydrophobicContact CB-CB 4.44Å; L832-L910 HydrophobicContact CD2-CD1 4.42Å; L832-L910 PolarHBondContact N-O 3.02Å; L832-L910 PolarHBondContact O-N 3.18Å; L832-F912 HydrophobicContact CB-CE2 3.89Å; L832-F912 HydrophobicContact CD2-CE2 4.33Å
833	C	89.1	Confident	77.8	Confident	26.25 Å²	26.25	50.2 Å²	50.2	18%	0.177	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.6	167.2	-48.7	0	0	0	0	109.2	L810 S811 N813 Q831 G908 N909	L810-C833 CarbonylContact C-O 3.5Å; L810-C833 VanDerWaalsContact CA-O 3.32Å; L810-C833 WeakPolarHBondContact CA-O 3.29Å; S811-C833 PolarHBondContact N-O 2.99Å; S811-C833 PolarHBondContact O-N 3.14Å; S811-C833 WeakPolarHBondContact OG-CB 3.43Å; N813-C833 PolarHBondContact ND2-SG 2.85Å; Q831-C833 PolarHBondContact NE2-SG 3.15Å; Q831-C833 VanDerWaalsContact NE2-SG 3.38Å; C833-G908 CarbonylContact C-O 3.48Å; C833-G908 VanDerWaalsContact CA-O 3.27Å; C833-G908 WeakPolarHBondContact CA-O 3.28Å; C833-N909 WeakPolarHBondContact CB-OD1 3.14Å; C833-N909 PolarHBondContact SG-OD1 3.02Å
834	F	91.8	Very high	79.9	Confident	29 Å²	29	42.7 Å²	42.7	13%	0.127	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.9	174.5	63.8	-87.2	0	0	0	112.2	E809 L810 I836 L906 H907 G908 L910 I937	E809-F834 CarbonylContact O-C 3.53Å; E809-F834 VanDerWaalsContact O-CA 3.29Å; E809-F834 WeakPolarHBondContact O-CA 3.26Å; L810-F834 HydrophobicContact CD2-CB 3.55Å; L810-F834 VanDerWaalsContact CD2-CB 3.49Å; L810-F834 HydrophobicContact CG-CB 4.44Å; F834-I836 HydrophobicContact CD2-CD1 4.32Å; F834-I836 HydrophobicContact CD2-CG1 4.42Å; F834-L906 HydrophobicContact CD2-CG 4.3Å; F834-L906 HydrophobicContact CE2-CD1 3.72Å; F834-L906 HydrophobicContact CE2-CD2 4.05Å; F834-L906 HydrophobicContact CE2-CG 3.71Å; F834-L906 HydrophobicContact CZ-CD1 4.35Å; F834-H907 VanDerWaalsContact CE2-C 3.43Å; F834-H907 CarbonylContact O-C 3.51Å; F834-H907 VanDerWaalsContact O-CA 3.22Å; F834-H907 WeakPolarHBondContact O-CA 3.36Å; F834-H907 WeakPolarHBondContact O-CB 3.39Å; F834-G908 VanDerWaalsContact CD1-O 3.28Å; F834-G908 WeakPolarHBondContact CD1-O 3.35Å; F834-G908 VanDerWaalsContact CE1-C 3.5Å; F834-G908 VanDerWaalsContact CE1-CA 3.47Å; F834-G908 VanDerWaalsContact CE2-N 3.35Å; F834-G908 PolarHBondContact N-O 2.93Å; F834-G908 PolarHBondContact O-N 3.19Å; F834-L910 HydrophobicContact CD1-CG 4.46Å; F834-L910 HydrophobicContact CE1-CD1 4.14Å; F834-L910 HydrophobicContact CE1-CD2 4.27Å; F834-L910 HydrophobicContact CE1-CG 3.9Å; F834-I937 HydrophobicContact CZ-CG1 4.36Å; F834-I937 HydrophobicContact CZ-CG2 4.37Å
835	N	93.1	Very high	82.1	Confident	29 Å²	29	36.3 Å²	36.3	16%	0.155	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	114.6	174.5	167.9	39.9	0	0	0	108.7	V808 E809 Q837 K905 L906 H907	V808-N835 CarbonylContact C-O 3.55Å; E809-N835 HydrophobicContact CB-CB 4.29Å; E809-N835 PolarHBondContact N-O 3.05Å; E809-N835 PolarHBondContact O-N 3.25Å; E809-N835 PolarHBondContact OE2-ND2 3.05Å; N835-Q837 PolarHBondContact ND2-NE2 3.01Å; N835-Q837 VanDerWaalsContact ND2-NE2 3.15Å; N835-Q837 PolarHBondContact OD1-NE2 2.85Å; N835-K905 WeakPolarHBondContact OD1-CE 3.44Å; N835-L906 CarbonylContact C-O 3.53Å; N835-L906 WeakPolarHBondContact CA-O 3.36Å; N835-H907 HydrophobicContact CB-CB 4.39Å
836	I	92.9	Very high	84.1	Confident	35.25 Å²	35.25	31.9 Å²	31.9	18%	0.181	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.5	-173.9	-63.4	174.5	0	0	0	107.7	H807 V808 F834 L838 K905 L906	H807-I836 CarbonylContact O-C 3.5Å; H807-I836 WeakPolarHBondContact O-CA 3.33Å; V808-I836 HydrophobicContact CB-CG1 4.4Å; V808-I836 HydrophobicContact CG1-CD1 4.4Å; V808-I836 HydrophobicContact CG1-CG1 4.01Å; V808-I836 HydrophobicContact CG2-CB 4.45Å; V808-I836 HydrophobicContact CG2-CD1 4.38Å; V808-I836 HydrophobicContact CG2-CG1 4.14Å; V808-I836 HydrophobicContact CG2-CG2 4.15Å; F834-I836 HydrophobicContact CD2-CD1 4.32Å; F834-I836 HydrophobicContact CD2-CG1 4.42Å; I836-L838 HydrophobicContact CG2-CD1 3.73Å; I836-L838 HydrophobicContact CG2-CD2 3.83Å; I836-L838 HydrophobicContact CG2-CG 4.22Å; I836-K905 CarbonylContact O-C 3.52Å; I836-K905 WeakPolarHBondContact O-CA 3.27Å; I836-L906 HydrophobicContact CB-CB 4.15Å; I836-L906 HydrophobicContact CB-CD2 4.39Å; I836-L906 HydrophobicContact CB-CG 4.4Å; I836-L906 HydrophobicContact CD1-CD2 3.97Å; I836-L906 HydrophobicContact CD1-CG 4.32Å; I836-L906 HydrophobicContact CG2-CB 4.5Å; I836-L906 PolarHBondContact N-O 2.93Å; I836-L906 PolarHBondContact O-N 2.85Å
837	Q	92.9	Very high	85.7	Confident	38.5 Å²	38.5	24.8 Å²	24.8	18%	0.18	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.9	-177.6	-66.7	176.2	21.5	0	0	109.5	W806 H807 N835 F839 P902 I904 K905	W806-Q837 CarbonylContact C-O 3.48Å; W806-Q837 WeakPolarHBondContact CA-O 3.36Å; H807-Q837 HydrophobicContact CB-CB 4.38Å; H807-Q837 PolarHBondContact N-O 3.04Å; H807-Q837 PolarHBondContact O-N 3.18Å; N835-Q837 PolarHBondContact ND2-NE2 3.01Å; N835-Q837 VanDerWaalsContact ND2-NE2 3.15Å; N835-Q837 PolarHBondContact OD1-NE2 2.85Å; Q837-F839 HydrophobicContact CB-CE2 4.19Å; Q837-P902 HydrophobicContact CB-CB 3.9Å; Q837-P902 HydrophobicContact CB-CG 4.23Å; Q837-P902 HydrophobicContact CG-CB 4.33Å; Q837-P902 HydrophobicContact CG-CG 4.12Å; Q837-I904 CarbonylContact C-O 3.44Å; Q837-I904 WeakPolarHBondContact CA-O 3.32Å; Q837-K905 HydrophobicContact CG-CB 4.46Å; Q837-K905 HydrophobicContact CG-CD 4.43Å; Q837-K905 HydrophobicContact CG-CG 4.11Å
838	L	91.4	Very high	86.7	Confident	16.5 Å²	16.5	20.3 Å²	20.3	9%	0.086	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.2	178.2	-57.6	104	0	0	0	107.9	W806 I836 V841 P902 A903 I904	W806-L838 HydrophobicContact CB-CD2 3.88Å; W806-L838 HydrophobicContact CD2-CD2 3.7Å; W806-L838 HydrophobicContact CD2-CG 3.94Å; W806-L838 VanDerWaalsContact CE2-CD2 3.49Å; W806-L838 HydrophobicContact CE3-CD1 4.28Å; W806-L838 HydrophobicContact CE3-CD2 3.9Å; W806-L838 HydrophobicContact CE3-CG 4.07Å; W806-L838 HydrophobicContact CG-CD2 4.09Å; W806-L838 VanDerWaalsContact CG-CD2 3.49Å; W806-L838 HydrophobicContact CG-CG 4.28Å; W806-L838 HydrophobicContact CH2-CD2 3.73Å; W806-L838 HydrophobicContact CZ2-CD2 3.61Å; W806-L838 HydrophobicContact CZ3-CD1 4.5Å; W806-L838 HydrophobicContact CZ3-CD2 3.86Å; W806-L838 HydrophobicContact CZ3-CG 4.29Å; I836-L838 HydrophobicContact CG2-CD1 3.73Å; I836-L838 HydrophobicContact CG2-CD2 3.83Å; I836-L838 HydrophobicContact CG2-CG 4.22Å; L838-V841 HydrophobicContact CB-CG2 4.1Å; L838-V841 HydrophobicContact CD1-CG2 4.12Å; L838-V841 HydrophobicContact CD2-CG2 3.62Å; L838-P902 CarbonylContact O-C 3.54Å; L838-A903 WeakPolarHBondContact O-CA 3.41Å; L838-A903 WeakPolarHBondContact O-CB 3.34Å; L838-A903 PolarHBondContact O-N 3.2Å; L838-I904 HydrophobicContact CB-CB 4.28Å; L838-I904 HydrophobicContact CD1-CB 4.12Å; L838-I904 HydrophobicContact CD1-CD1 4.18Å; L838-I904 HydrophobicContact CD1-CG2 4.27Å; L838-I904 HydrophobicContact CG-CB 4.33Å; L838-I904 PolarHBondContact N-O 2.9Å; L838-I904 PolarHBondContact O-N 3.11Å; L838-I904 VanDerWaalsContact O-N 3.16Å
839	F	88.8	Confident	86.8	Confident	47.75 Å²	47.75	22.9 Å²	22.9	21%	0.209	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-18.3	-176.6	-68.6	-96.9	0	0	0	113.9	P778 L805 Q837 N900 P902	P778-F839 HydrophobicContact CB-CB 3.86Å; P778-F839 HydrophobicContact CG-CB 4.28Å; L805-F839 HydrophobicContact CB-CB 4.16Å; L805-F839 HydrophobicContact CB-CD2 4.05Å; L805-F839 HydrophobicContact CB-CG 4.45Å; L805-F839 HydrophobicContact CD1-CB 4.4Å; L805-F839 VanDerWaalsContact O-CD2 3.26Å; L805-F839 WeakPolarHBondContact O-CD2 3.31Å; L805-F839 PolarHBondContact O-N 2.96Å; Q837-F839 HydrophobicContact CB-CE2 4.19Å; F839-N900 WeakPolarHBondContact CE1-O 3.49Å; F839-P902 HydrophobicContact CD1-CB 4.31Å; F839-P902 HydrophobicContact CD2-CB 4.27Å; F839-P902 HydrophobicContact CE1-CB 4.19Å; F839-P902 HydrophobicContact CE2-CB 4.21Å; F839-P902 HydrophobicContact CG-CB 4.35Å; F839-P902 HydrophobicContact CZ-CB 4.29Å
840	G	86.8	Confident	86.2	Confident	0.25 Å²	0.25	25.1 Å²	25.1	0%	0.003	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	139.6	169.9	0	0	0	0	0	111.7	G803 G804	G803-G840 CarbonylContact C-O 3.55Å; G803-G840 WeakPolarHBondContact CA-O 3.3Å; G804-G840 PolarHBondContact N-O 3.08Å; G804-G840 PolarHBondContact O-N 2.93Å
841	V	90.3	Very high	84.8	Confident	10 Å²	10	29.6 Å²	29.6	6%	0.061	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.3	175.2	-178.6	0	0	0	0	108.5	F801 V802 L838 F878 F880 I904	F801-V841 HydrophobicContact CD2-CG1 4.38Å; F801-V841 HydrophobicContact CE2-CG1 3.55Å; F801-V841 VanDerWaalsContact CE2-CG1 3.42Å; F801-V841 HydrophobicContact CZ-CG1 3.99Å; V802-V841 CarbonylContact O-C 3.55Å; V802-V841 WeakPolarHBondContact O-CA 3.39Å; L838-V841 HydrophobicContact CB-CG2 4.1Å; L838-V841 HydrophobicContact CD1-CG2 4.12Å; L838-V841 HydrophobicContact CD2-CG2 3.62Å; V841-F878 HydrophobicContact CB-CE1 4.12Å; V841-F878 HydrophobicContact CG1-CD1 4.29Å; V841-F878 HydrophobicContact CG1-CE1 3.89Å; V841-F880 HydrophobicContact CB-CD2 4.34Å; V841-F880 HydrophobicContact CB-CE2 4.11Å; V841-F880 WeakPolarHBondContact O-CD2 3.34Å; V841-I904 HydrophobicContact CG2-CD1 4.12Å
842	H	91.7	Very high	82.4	Confident	9.25 Å²	9.25	33.8 Å²	33.8	4%	0.043	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	129.5	179.7	-161.5	-67	0	0	0	109.7	V782 F801 V802 E876 F878 H879	V782-H842 HydrophobicContact CG1-CB 3.74Å; F801-H842 CarbonylContact C-O 3.56Å; F801-H842 WeakPolarHBondContact CA-O 3.41Å; V802-H842 PolarHBondContact N-O 3.13Å; V802-H842 PolarHBondContact O-N 3.06Å; H842-E876 IonicContact CD2-OE2 3.07Å; H842-E876 IonicContact CE1-OE1 3.23Å; H842-E876 PolarHBondContact CE1-OE1 3.46Å; H842-E876 IonicContact CE1-OE2 2.98Å; H842-E876 PolarHBondContact CE1-OE2 3.25Å; H842-E876 IonicContact NE2-OE1 3.61Å; H842-E876 PolarHBondContact NE2-OE1 2.82Å; H842-E876 IonicContact NE2-OE2 3.57Å; H842-E876 PolarHBondContact NE2-OE2 2.84Å; H842-F878 CarbonylContact C-O 3.56Å; H842-F878 WeakPolarHBondContact CA-O 3.25Å; H842-H879 VanDerWaalsContact CD2-CB 3.42Å; H842-H879 WeakPolarHBondContact CD2-CB 3.22Å
843	L	93.8	Very high	79.9	Confident	52.75 Å²	52.75	38.3 Å²	38.3	28%	0.276	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.7	170.7	179.5	67	0	0	0	108.2	L799 F801 E876 L877 F878	L799-L843 HydrophobicContact CD2-CD1 4.29Å; F801-L843 HydrophobicContact CB-CD1 3.94Å; F801-L843 HydrophobicContact CD2-CB 4.47Å; F801-L843 HydrophobicContact CD2-CD1 4.36Å; L843-E876 CarbonylContact O-C 3.53Å; L843-L877 HydrophobicContact CD2-CB 4.35Å; L843-L877 HydrophobicContact CD2-CD1 4.44Å; L843-L877 HydrophobicContact CG-CB 4.27Å; L843-L877 HydrophobicContact CG-CD1 4.3Å; L843-L877 PolarHBondContact O-N 3.18Å; L843-L877 VanDerWaalsContact O-N 3.08Å; L843-F878 HydrophobicContact CB-CB 4.14Å; L843-F878 PolarHBondContact N-O 2.92Å; L843-F878 PolarHBondContact O-N 3.21Å; L843-F878 VanDerWaalsContact O-N 3.13Å
844	S	92.6	Very high	77	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.6	-178.2	54.8	0	0	0	0	112.6	K786 L799 C800 F875 E876	K786-S844 VanDerWaalsContact CE-CB 3.46Å; K786-S844 WeakPolarHBondContact CE-OG 3.44Å; L799-S844 CarbonylContact C-O 3.53Å; L799-S844 WeakPolarHBondContact CA-O 3.43Å; C800-S844 PolarHBondContact N-O 3.03Å; C800-S844 PolarHBondContact O-N 3.16Å; C800-S844 PolarHBondContact O-OG 3.03Å; S844-F875 CarbonylContact C-O 3.49Å; S844-F875 WeakPolarHBondContact CA-O 3.29Å; S844-F875 VanDerWaalsContact CB-O 3.24Å; S844-F875 WeakPolarHBondContact CB-O 3.2Å; S844-E876 WeakPolarHBondContact CB-OE2 3.36Å
845	E	92.8	Very high	74	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.4	162.1	168.3	173.9	-127	0	0	108.9	Y617 L799 L847 S874 F875 L877 I952 R955 R1104	Y617-E845 HydrophobicContact CE2-CG 4.41Å; Y617-E845 WeakPolarHBondContact OH-CG 3.26Å; Y617-E845 PolarHBondContact OH-OE1 3.22Å; L799-E845 HydrophobicContact CD2-CB 4.28Å; E845-L847 HydrophobicContact CG-CD1 4.34Å; E845-L847 HydrophobicContact CG-CD2 3.84Å; E845-L847 HydrophobicContact CG-CG 3.87Å; E845-S874 CarbonylContact O-C 3.52Å; E845-S874 VanDerWaalsContact O-CA 3.27Å; E845-S874 WeakPolarHBondContact O-CA 3.33Å; E845-F875 HydrophobicContact CB-CB 4.34Å; E845-F875 HydrophobicContact CB-CD1 4.47Å; E845-F875 PolarHBondContact N-O 2.92Å; E845-F875 PolarHBondContact O-N 3.1Å; E845-L877 HydrophobicContact CB-CD1 4.1Å; E845-L877 HydrophobicContact CB-CD2 4.48Å; E845-L877 HydrophobicContact CB-CG 4.41Å; E845-I952 HydrophobicContact CB-CD1 3.96Å; E845-I952 HydrophobicContact CG-CD1 4.39Å; E845-R955 VanDerWaalsContact CD-NH2 3.3Å; E845-R955 IonicContact OE1-CZ 3.72Å; E845-R955 VanDerWaalsContact OE1-CZ 3.27Å; E845-R955 IonicContact OE1-NE 3.31Å; E845-R955 PolarHBondContact OE1-NE 3.01Å; E845-R955 IonicContact OE1-NH2 2.95Å; E845-R955 PolarHBondContact OE1-NH2 3.12Å; E845-R955 IonicContact OE2-CZ 3.23Å; E845-R955 IonicContact OE2-NE 3.17Å; E845-R955 PolarHBondContact OE2-NE 2.87Å; E845-R955 IonicContact OE2-NH2 3.06Å; E845-R955 PolarHBondContact OE2-NH2 3.29Å; E845-R1104 IonicContact OE2-CZ 3.65Å; E845-R1104 IonicContact OE2-NE 3.25Å; E845-R1104 PolarHBondContact OE2-NE 2.96Å; E845-R1104 IonicContact OE2-NH2 3.62Å; E845-R1104 PolarHBondContact OE2-NH2 2.89Å
846	C	90.2	Very high	71.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	112.1	178.4	-72	0	0	0	0	109.4	S790 D797 H798 L872 S874	S790-C846 PolarHBondContact OG-SG 3.07Å; S790-C846 VanDerWaalsContact OG-SG 3.36Å; D797-C846 WeakPolarHBondContact CA-O 3.37Å; H798-C846 WeakPolarHBondContact CE1-CB 3.39Å; H798-C846 PolarHBondContact N-O 3.03Å; H798-C846 VanDerWaalsContact N-O 3.13Å; H798-C846 WeakPolarHBondContact NE2-CB 3.4Å; H798-C846 PolarHBondContact O-N 3.07Å; C846-L872 HydrophobicContact CB-CD1 3.94Å; C846-S874 VanDerWaalsContact SG-CB 3.59Å; C846-S874 PolarHBondContact SG-OG 2.77Å; C846-S874 VanDerWaalsContact SG-OG 3.38Å
847	L	86.3	Confident	67.9	Low	12.25 Å²	12.25	53.6 Å²	53.6	6%	0.064	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.8	-179.2	-56.3	-178	0	0	0	110.8	Y617 D797 E845 P849 E873 F875 R1104	Y617-L847 HydrophobicContact CE2-CD2 3.94Å; D797-L847 HydrophobicContact CB-CD2 3.93Å; D797-L847 WeakPolarHBondContact OD1-CA 3.43Å; D797-L847 WeakPolarHBondContact OD2-CD2 3.42Å; E845-L847 HydrophobicContact CG-CD1 4.34Å; E845-L847 HydrophobicContact CG-CD2 3.84Å; E845-L847 HydrophobicContact CG-CG 3.87Å; L847-P849 WeakPolarHBondContact O-CD 3.33Å; L847-E873 PolarHBondContact N-O 3.13Å; L847-E873 PolarHBondContact O-N 3Å; L847-E873 VanDerWaalsContact O-N 3.09Å; L847-F875 HydrophobicContact CB-CE2 4.41Å; L847-F875 HydrophobicContact CD1-CD2 4.34Å; L847-F875 HydrophobicContact CD1-CE2 3.99Å; L847-F875 HydrophobicContact CG-CD2 4.42Å; L847-F875 HydrophobicContact CG-CE2 4.28Å; L847-R1104 HydrophobicContact CD1-CB 4.02Å
848	F	78.7	Confident	65.1	Low	11.5 Å²	11.5	57.4 Å²	57.4	5%	0.05	34%	0.341	C	S	.	.			trans	-108.8	104.7	173.8	-64.3	-71.8	0	0	0	109.3	Y794 R796 D797 H798 S850 I870 L872 R1382	Y794-F848 AromaticContact CD2-CD1 3.61Å; Y794-F848 HydrophobicContact CD2-CD1 3.61Å; Y794-F848 HydrophobicContact CD2-CD2 4.46Å; Y794-F848 AromaticContact CD2-CE1 3.63Å; Y794-F848 HydrophobicContact CD2-CE1 3.63Å; Y794-F848 HydrophobicContact CD2-CE2 4.49Å; Y794-F848 HydrophobicContact CD2-CG 4.05Å; Y794-F848 HydrophobicContact CD2-CZ 4.09Å; Y794-F848 HydrophobicContact CE2-CD1 4.21Å; Y794-F848 HydrophobicContact CG-CE1 4.38Å; Y794-F848 HydrophobicContact CG-CZ 4.49Å; R796-F848 VanDerWaalsContact O-CD2 3.27Å; R796-F848 WeakPolarHBondContact O-CD2 3.18Å; R796-F848 VanDerWaalsContact O-CE2 3.27Å; R796-F848 WeakPolarHBondContact O-CE2 3.39Å; D797-F848 PolarHBondContact OD1-N 3.07Å; H798-F848 AromaticContact CE1-CE2 3.87Å; F848-S850 PolarHBondContact O-N 3.24Å; F848-S850 VanDerWaalsContact O-N 3.15Å; F848-I870 HydrophobicContact CD1-CG2 4.48Å; F848-L872 HydrophobicContact CD1-CB 4.49Å; F848-L872 HydrophobicContact CD1-CD1 4.11Å; F848-L872 HydrophobicContact CE1-CB 4.02Å; F848-L872 HydrophobicContact CE1-CD1 3.52Å; F848-L872 VanDerWaalsContact CE1-CD1 3.48Å; F848-L872 HydrophobicContact CE1-CG 4.26Å; F848-L872 HydrophobicContact CE2-CD1 4.36Å; F848-L872 HydrophobicContact CZ-CD1 3.71Å; F848-L872 VanDerWaalsContact CZ-CD1 3.41Å; F848-R1382 PolarHBondContact O-NH2 2.8Å
849	P	65.9	Low	62.2	Low	66.5 Å²	66.5	62.8 Å²	62.8	43%	0.432	38%	0.375	S	S	.	.			trans	-64.6	124	177.4	25.1	-32.5	0	0	0	110.4	L847 Q851 K871 E873	L847-P849 WeakPolarHBondContact O-CD 3.33Å; P849-Q851 PolarHBondContact O-N 3.11Å; P849-K871 VanDerWaalsContact CD-O 3.31Å; P849-K871 WeakPolarHBondContact CD-O 3.34Å; P849-E873 HydrophobicContact CG-CG 4.22Å
850	S	55	Low	59.5	Low	49 Å²	49	70 Å²	70	34%	0.343	41%	0.406	S	S	.	.			trans	-60.3	132	172.9	-53.2	0	0	0	0	109.5	F848 T852 R1382	F848-S850 PolarHBondContact O-N 3.24Å; F848-S850 VanDerWaalsContact O-N 3.15Å; S850-T852 PolarHBondContact O-N 3.14Å; S850-T852 VanDerWaalsContact O-N 3.11Å; S850-R1382 PolarHBondContact OG-NE 2.94Å; S850-R1382 PolarHBondContact OG-NH2 2.86Å
851	Q	45.8	Very low	57	Low	112.75 Å²	112.75	79.7 Å²	79.7	53%	0.527	45%	0.448	S	S	.	.			trans	-59.1	112.8	179.7	-69.1	178.5	11.6	0	0	110.6	P849 I853 Q868	P849-Q851 PolarHBondContact O-N 3.11Å; Q851-I853 PolarHBondContact O-N 3.04Å; Q851-I853 VanDerWaalsContact O-N 3.14Å; Q851-Q868 VanDerWaalsContact OE1-CD 3.24Å; Q851-Q868 VanDerWaalsContact OE1-NE2 3.08Å
852	T	34.6	Very low	54.1	Low	116.25 Å²	116.25	83.3 Å²	83.3	71%	0.713	48%	0.479	S	S	*	.			trans	-68.9	103.3	166.1	29.3	0	0	0	0	108.7	S850 T854	S850-T852 PolarHBondContact O-N 3.14Å; S850-T852 VanDerWaalsContact O-N 3.11Å; T852-T854 VanDerWaalsContact C-N 3.29Å; T852-T854 PolarHBondContact O-N 3.12Å; T852-T854 VanDerWaalsContact O-N 3.12Å
853	I	32.7	Very low	51.1	Low	140.5 Å²	140.5	90.7 Å²	90.7	72%	0.721	52%	0.519	S	S	*	.			trans	-70	92.1	166.4	-57.7	176.9	0	0	0	107.1	Q851 T855	Q851-I853 PolarHBondContact O-N 3.04Å; Q851-I853 VanDerWaalsContact O-N 3.14Å; I853-T855 VanDerWaalsContact C-N 3.34Å; I853-T855 HydrophobicContact CG2-CG2 4.08Å; I853-T855 PolarHBondContact O-N 3.14Å; I853-T855 PolarHBondContact O-OG1 2.94Å
854	T	29.7	Very low	48	Very low	109 Å²	109	95 Å²	95	67%	0.669	54%	0.537	S	S	*	.			trans	-65	95.5	172.5	-30.8	0	0	0	0	108.6	T852 T856	T852-T854 VanDerWaalsContact C-N 3.29Å; T852-T854 PolarHBondContact O-N 3.12Å; T852-T854 VanDerWaalsContact O-N 3.12Å; T854-T856 VanDerWaalsContact C-N 3.29Å; T854-T856 HydrophobicContact CG2-CG2 4.17Å; T854-T856 PolarHBondContact O-N 3.07Å; T854-T856 VanDerWaalsContact O-N 3.09Å; T854-T856 PolarHBondContact O-OG1 2.91Å
855	T	28.3	Very low	45.1	Very low	124.5 Å²	124.5	100.7 Å²	100.7	76%	0.764	58%	0.575	S	S	*	*			trans	-79.3	60.9	-178.3	-14.2	0	0	0	0	110.8	I853 A857	I853-T855 VanDerWaalsContact C-N 3.34Å; I853-T855 HydrophobicContact CG2-CG2 4.08Å; I853-T855 PolarHBondContact O-N 3.14Å; I853-T855 PolarHBondContact O-OG1 2.94Å; T855-A857 PolarHBondContact O-N 3.36Å
856	T	31	Very low	42.1	Very low	112 Å²	112	110.5 Å²	110.5	69%	0.687	61%	0.612	S	S	*	*			trans	-92.6	82.4	166.2	48.1	0	0	0	0	109	T854 T858	T854-T856 VanDerWaalsContact C-N 3.29Å; T854-T856 HydrophobicContact CG2-CG2 4.17Å; T854-T856 PolarHBondContact O-N 3.07Å; T854-T856 VanDerWaalsContact O-N 3.09Å; T854-T856 PolarHBondContact O-OG1 2.91Å; T856-T858 PolarHBondContact O-N 2.92Å
857	A	27.4	Very low	39.6	Very low	95.5 Å²	95.5	116.2 Å²	116.2	79%	0.789	65%	0.646	S	S	*	*			trans	-76	87.7	-179.5	0	0	0	0	0	111.9	T855	T855-A857 PolarHBondContact O-N 3.36Å
858	T	32.7	Very low	37.5	Very low	118.75 Å²	118.75	121.8 Å²	121.8	73%	0.729	67%	0.672	S	S	*	*			trans	-137.5	96.6	166.9	47.8	0	0	0	0	112.2	T856	T856-T858 PolarHBondContact O-N 2.92Å
859	T	31.1	Very low	35.9	Very low	129.5 Å²	129.5	127.1 Å²	127.1	79%	0.794	70%	0.702	S	S	*	*			trans	49.2	115.2	149.2	60.2	0	0	0	0	119.7
860	K	32.4	Very low	35.5	Very low	199.25 Å²	199.25	126.1 Å²	126.1	87%	0.866	69%	0.692	S	S	*	*			trans	166.9	126.3	144.8	-77.4	164.8	-179.5	175.6	0	114.3
861	K	34.1	Very low	35.9	Very low	204.75 Å²	204.75	128.3 Å²	128.3	89%	0.89	70%	0.695	S	S	*	*			trans	83.7	115.9	152.2	-73.6	-178.2	176.2	-174.3	0	115.6
862	A	29.9	Very low	37.2	Very low	85 Å²	85	123 Å²	123	70%	0.702	67%	0.671	S	S	*	*				59.8	126.2	96.8	0	0	0	0	0	115.3
863	N	28.6	Very low	39.3	Very low	164.25 Å²	164.25	120.6 Å²	120.6	88%	0.878	65%	0.651	S	S	*	*			trans	60	83.7	153.3	-58.9	2.6	0	0	0	119
864	E	29.2	Very low	41.7	Very low	142.75 Å²	142.75	115.2 Å²	115.2	67%	0.667	63%	0.626	S	S	*	*			trans	-159.9	124.4	148.5	-146.3	175.3	-129.9	0	0	110.2	R866	E864-R866 VanDerWaalsContact C-N 3.35Å; E864-R866 HydrophobicContact CG-CG 4.37Å; E864-R866 PolarHBondContact O-N 2.94Å; E864-R866 VanDerWaalsContact O-N 3.09Å; E864-R866 IonicContact OE2-CZ 3.03Å; E864-R866 VanDerWaalsContact OE2-CZ 3.31Å; E864-R866 IonicContact OE2-NE 3.42Å; E864-R866 PolarHBondContact OE2-NE 3.04Å; E864-R866 IonicContact OE2-NH2 3.36Å; E864-R866 PolarHBondContact OE2-NH2 3.32Å
865	P	30.9	Very low	44.3	Very low	121.5 Å²	121.5	111.3 Å²	111.3	79%	0.789	60%	0.6	S	S	*	*			trans	-80.7	79.6	177.7	33.3	-33	0	0	0	110.2	T867	P865-T867 PolarHBondContact O-N 3Å; P865-T867 VanDerWaalsContact O-N 3.09Å
866	R	29.8	Very low	47.1	Very low	205.25 Å²	205.25	108.5 Å²	108.5	78%	0.775	58%	0.578	S	S	*	*			trans	-64.4	118.5	175.9	-75.1	-176.3	175	-177	-6.6	110.6	E864 Q868	E864-R866 VanDerWaalsContact C-N 3.35Å; E864-R866 HydrophobicContact CG-CG 4.37Å; E864-R866 PolarHBondContact O-N 2.94Å; E864-R866 VanDerWaalsContact O-N 3.09Å; E864-R866 IonicContact OE2-CZ 3.03Å; E864-R866 VanDerWaalsContact OE2-CZ 3.31Å; E864-R866 IonicContact OE2-NE 3.42Å; E864-R866 PolarHBondContact OE2-NE 3.04Å; E864-R866 IonicContact OE2-NH2 3.36Å; E864-R866 PolarHBondContact OE2-NH2 3.32Å; R866-Q868 PolarHBondContact O-N 2.9Å; R866-Q868 VanDerWaalsContact O-N 3.17Å
867	T	37	Very low	49.9	Very low	118.5 Å²	118.5	104.2 Å²	104.2	73%	0.727	55%	0.551	S	S	*	*			trans	-55.8	117.3	173.1	39.9	0	0	0	0	110.2	P865 N869	P865-T867 PolarHBondContact O-N 3Å; P865-T867 VanDerWaalsContact O-N 3.09Å; T867-N869 PolarHBondContact O-N 3.13Å; T867-N869 PolarHBondContact O-ND2 2.96Å
868	Q	42.1	Very low	52.9	Low	130 Å²	130	101.5 Å²	101.5	61%	0.607	52%	0.521	S	S	*	.			trans	-72.5	106.2	177.6	-71.2	-175	-17.5	0	0	109.4	Q851 R866 I870	Q851-Q868 VanDerWaalsContact OE1-CD 3.24Å; Q851-Q868 VanDerWaalsContact OE1-NE2 3.08Å; R866-Q868 PolarHBondContact O-N 2.9Å; R866-Q868 VanDerWaalsContact O-N 3.17Å; Q868-I870 VanDerWaalsContact C-N 3.35Å; Q868-I870 PolarHBondContact O-N 3Å; Q868-I870 VanDerWaalsContact O-N 3.09Å
869	N	46.8	Very low	55.6	Low	124.25 Å²	124.25	97.7 Å²	97.7	66%	0.664	50%	0.495	S	S	*	.			trans	-64.7	98.9	173.8	-78.5	-53.5	0	0	0	109.8	R737 T867 K871	R737-N869 PolarHBondContact NE-OD1 3.07Å; T867-N869 PolarHBondContact O-N 3.13Å; T867-N869 PolarHBondContact O-ND2 2.96Å; N869-K871 PolarHBondContact O-N 3.07Å
870	I	56.9	Low	58.2	Low	44.75 Å²	44.75	92.3 Å²	92.3	23%	0.229	46%	0.461	C	S	.	.			trans	-67.2	124.2	174.2	-62.6	158.5	0	0	0	108.4	P734 C736 R737 Y794 F848 Q868	P734-I870 HydrophobicContact CB-CD1 4.18Å; C736-I870 CarbonylContact C-O 3.6Å; C736-I870 VanDerWaalsContact CA-O 3.25Å; C736-I870 WeakPolarHBondContact CA-O 3.39Å; C736-I870 HydrophobicContact CB-CG2 4.33Å; C736-I870 VanDerWaalsContact SG-CG2 3.55Å; C736-I870 WeakPolarHBondContact SG-CG2 3.39Å; R737-I870 PolarHBondContact N-O 2.87Å; Y794-I870 HydrophobicContact CD2-CG2 3.81Å; Y794-I870 HydrophobicContact CE1-CD1 4.02Å; Y794-I870 HydrophobicContact CE2-CB 4.46Å; Y794-I870 HydrophobicContact CE2-CD1 4.1Å; Y794-I870 HydrophobicContact CE2-CG1 4.33Å; Y794-I870 HydrophobicContact CE2-CG2 3.38Å; Y794-I870 VanDerWaalsContact CE2-CG2 3.44Å; F848-I870 HydrophobicContact CD1-CG2 4.48Å; Q868-I870 VanDerWaalsContact C-N 3.35Å; Q868-I870 PolarHBondContact O-N 3Å; Q868-I870 VanDerWaalsContact O-N 3.09Å
871	K	63.6	Low	60.3	Low	94.5 Å²	94.5	84.3 Å²	84.3	41%	0.411	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.6	-175.8	-170.9	-176	-178.1	-167	0	109.4	P849 N869 E873	P849-K871 VanDerWaalsContact CD-O 3.31Å; P849-K871 WeakPolarHBondContact CD-O 3.34Å; N869-K871 PolarHBondContact O-N 3.07Å; K871-E873 HydrophobicContact CD-CG 4.39Å; K871-E873 VanDerWaalsContact CE-OE1 3.23Å; K871-E873 WeakPolarHBondContact CE-OE1 3.31Å; K871-E873 IonicContact NZ-OE1 3.45Å; K871-E873 PolarHBondContact NZ-OE1 2.97Å
872	L	72.6	Confident	61.7	Low	1.5 Å²	1.5	75.3 Å²	75.3	1%	0.008	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.2	171.1	168.9	62.2	0	0	0	109	C736 R737 L738 K739 Y787 C846 F848	C736-L872 HydrophobicContact CB-CB 4.27Å; R737-L872 PolarHBondContact O-N 3.02Å; L738-L872 HydrophobicContact CD2-CD2 4.16Å; L738-L872 HydrophobicContact CD2-CG 4.18Å; L738-L872 HydrophobicContact CG-CD2 4.45Å; K739-L872 PolarHBondContact N-O 3.32Å; Y787-L872 HydrophobicContact CD2-CD2 4.36Å; Y787-L872 HydrophobicContact CE2-CD2 4.28Å; C846-L872 HydrophobicContact CB-CD1 3.94Å; F848-L872 HydrophobicContact CD1-CB 4.49Å; F848-L872 HydrophobicContact CD1-CD1 4.11Å; F848-L872 HydrophobicContact CE1-CB 4.02Å; F848-L872 HydrophobicContact CE1-CD1 3.52Å; F848-L872 VanDerWaalsContact CE1-CD1 3.48Å; F848-L872 HydrophobicContact CE1-CG 4.26Å; F848-L872 HydrophobicContact CE2-CD1 4.36Å; F848-L872 HydrophobicContact CZ-CD1 3.71Å; F848-L872 VanDerWaalsContact CZ-CD1 3.41Å
873	E	78.7	Confident	62.8	Low	66.75 Å²	66.75	76.6 Å²	76.6	31%	0.312	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	99.6	168.7	-60.6	-160.4	163.6	0	0	109	K739 L847 P849 K871 F875	K739-E873 HydrophobicContact CD-CG 4.03Å; K739-E873 VanDerWaalsContact CD-OE1 3.26Å; K739-E873 WeakPolarHBondContact CD-OE1 3.43Å; K739-E873 WeakPolarHBondContact CE-OE1 3.19Å; K739-E873 IonicContact NZ-OE1 3.6Å; K739-E873 PolarHBondContact NZ-OE1 2.8Å; K739-E873 IonicContact NZ-OE2 3.75Å; K739-E873 PolarHBondContact NZ-OE2 3.34Å; L847-E873 PolarHBondContact N-O 3.13Å; L847-E873 PolarHBondContact O-N 3Å; L847-E873 VanDerWaalsContact O-N 3.09Å; P849-E873 HydrophobicContact CG-CG 4.22Å; K871-E873 HydrophobicContact CD-CG 4.39Å; K871-E873 VanDerWaalsContact CE-OE1 3.23Å; K871-E873 WeakPolarHBondContact CE-OE1 3.31Å; K871-E873 IonicContact NZ-OE1 3.45Å; K871-E873 PolarHBondContact NZ-OE1 2.97Å; E873-F875 HydrophobicContact CB-CE2 3.92Å; E873-F875 HydrophobicContact CB-CZ 3.89Å
874	S	82.3	Confident	63.5	Low	26.25 Å²	26.25	72.9 Å²	72.9	18%	0.184	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.7	177.9	162.2	0	0	0	0	110.4	K786 E845 C846 E876	K786-S874 WeakPolarHBondContact CE-OG 3.34Å; K786-S874 PolarHBondContact NZ-OG 3.22Å; E845-S874 CarbonylContact O-C 3.52Å; E845-S874 VanDerWaalsContact O-CA 3.27Å; E845-S874 WeakPolarHBondContact O-CA 3.33Å; C846-S874 VanDerWaalsContact SG-CB 3.59Å; C846-S874 PolarHBondContact SG-OG 2.77Å; C846-S874 VanDerWaalsContact SG-OG 3.38Å; S874-E876 PolarHBondContact OG-OE2 3.32Å
875	F	85.1	Confident	64	Low	27 Å²	27	70.9 Å²	70.9	12%	0.118	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.1	-178.6	-118.4	-92.6	0	0	0	110.1	S844 E845 L847 E873 L877 D947 D949 R1058 R1104	S844-F875 CarbonylContact C-O 3.49Å; S844-F875 WeakPolarHBondContact CA-O 3.29Å; S844-F875 VanDerWaalsContact CB-O 3.24Å; S844-F875 WeakPolarHBondContact CB-O 3.2Å; E845-F875 HydrophobicContact CB-CB 4.34Å; E845-F875 HydrophobicContact CB-CD1 4.47Å; E845-F875 PolarHBondContact N-O 2.92Å; E845-F875 PolarHBondContact O-N 3.1Å; L847-F875 HydrophobicContact CB-CE2 4.41Å; L847-F875 HydrophobicContact CD1-CD2 4.34Å; L847-F875 HydrophobicContact CD1-CE2 3.99Å; L847-F875 HydrophobicContact CG-CD2 4.42Å; L847-F875 HydrophobicContact CG-CE2 4.28Å; E873-F875 HydrophobicContact CB-CE2 3.92Å; E873-F875 HydrophobicContact CB-CZ 3.89Å; F875-L877 HydrophobicContact CD1-CD2 3.72Å; F875-L877 HydrophobicContact CD1-CG 4.3Å; F875-L877 HydrophobicContact CE1-CD2 3.62Å; F875-L877 VanDerWaalsContact CE1-CD2 3.47Å; F875-L877 HydrophobicContact CE1-CG 4.5Å; F875-L877 HydrophobicContact CZ-CD2 4.47Å; F875-L877 PolarHBondContact O-N 3.07Å; F875-L877 VanDerWaalsContact O-N 3.1Å; F875-D947 HydrophobicContact CD2-CB 4.44Å; F875-D947 HydrophobicContact CE1-CB 4.12Å; F875-D947 WeakPolarHBondContact CE1-O 3.38Å; F875-D947 HydrophobicContact CE2-CB 3.7Å; F875-D947 VanDerWaalsContact CE2-CB 3.48Å; F875-D947 WeakPolarHBondContact CE2-OD2 3.39Å; F875-D947 HydrophobicContact CZ-CB 3.6Å; F875-D947 WeakPolarHBondContact CZ-O 3.31Å; F875-D949 HydrophobicContact CE1-CB 3.6Å; F875-D949 HydrophobicContact CZ-CB 3.86Å; F875-R1058 HydrophobicContact CE2-CG 4.38Å; F875-R1058 HydrophobicContact CZ-CG 4.02Å; F875-R1104 VanDerWaalsContact CB-CZ 3.48Å; F875-R1104 VanDerWaalsContact CE1-NH1 3.25Å; F875-R1104 HydrophobicContact CE2-CB 4.46Å; F875-R1104 VanDerWaalsContact CE2-CZ 3.46Å
876	E	87.4	Confident	64.4	Low	67.25 Å²	67.25	68.1 Å²	68.1	31%	0.314	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	80.7	-165.2	-47.2	-137.4	165.3	0	0	110.8	K786 H842 L843 S844 S874 F878 H879 D947	K786-E876 IonicContact NZ-OE1 2.91Å; K786-E876 PolarHBondContact NZ-OE1 2.88Å; K786-E876 IonicContact NZ-OE2 3.45Å; K786-E876 PolarHBondContact NZ-OE2 3.38Å; H842-E876 IonicContact CD2-OE2 3.07Å; H842-E876 IonicContact CE1-OE1 3.23Å; H842-E876 PolarHBondContact CE1-OE1 3.46Å; H842-E876 IonicContact CE1-OE2 2.98Å; H842-E876 PolarHBondContact CE1-OE2 3.25Å; H842-E876 IonicContact NE2-OE1 3.61Å; H842-E876 PolarHBondContact NE2-OE1 2.82Å; H842-E876 IonicContact NE2-OE2 3.57Å; H842-E876 PolarHBondContact NE2-OE2 2.84Å; L843-E876 CarbonylContact O-C 3.53Å; S844-E876 WeakPolarHBondContact CB-OE2 3.36Å; S874-E876 PolarHBondContact OG-OE2 3.32Å; E876-F878 VanDerWaalsContact C-N 3.25Å; E876-F878 PolarHBondContact O-N 3.23Å; E876-F878 VanDerWaalsContact O-N 3.11Å; E876-H879 PolarHBondContact O-ND1 3.07Å; E876-H879 IonicContact OE2-CD2 3.31Å; E876-H879 IonicContact OE2-CE1 3.79Å; E876-H879 PolarHBondContact OE2-CE1 2.84Å; E876-H879 IonicContact OE2-CG 3.02Å; E876-H879 IonicContact OE2-ND1 3.79Å; E876-H879 PolarHBondContact OE2-ND1 3.29Å; E876-H879 IonicContact OE2-NE2 2.72Å; E876-D947 VanDerWaalsContact O-CB 3.28Å; E876-D947 WeakPolarHBondContact O-CB 3.33Å
877	L	89.4	Confident	64.7	Low	21.25 Å²	21.25	63.4 Å²	63.4	11%	0.111	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	-37.3	-176.1	-61.8	172.4	0	0	0	113.4	L799 L843 E845 F875 V946 D947 I952	L799-L877 HydrophobicContact CD2-CD1 3.49Å; L799-L877 VanDerWaalsContact CD2-CD1 3.43Å; L843-L877 HydrophobicContact CD2-CB 4.35Å; L843-L877 HydrophobicContact CD2-CD1 4.44Å; L843-L877 HydrophobicContact CG-CB 4.27Å; L843-L877 HydrophobicContact CG-CD1 4.3Å; L843-L877 PolarHBondContact O-N 3.18Å; L843-L877 VanDerWaalsContact O-N 3.08Å; E845-L877 HydrophobicContact CB-CD1 4.1Å; E845-L877 HydrophobicContact CB-CD2 4.48Å; E845-L877 HydrophobicContact CB-CG 4.41Å; F875-L877 HydrophobicContact CD1-CD2 3.72Å; F875-L877 HydrophobicContact CD1-CG 4.3Å; F875-L877 HydrophobicContact CE1-CD2 3.62Å; F875-L877 VanDerWaalsContact CE1-CD2 3.47Å; F875-L877 HydrophobicContact CE1-CG 4.5Å; F875-L877 HydrophobicContact CZ-CD2 4.47Å; F875-L877 PolarHBondContact O-N 3.07Å; F875-L877 VanDerWaalsContact O-N 3.1Å; L877-V946 VanDerWaalsContact O-CA 3.28Å; L877-V946 WeakPolarHBondContact O-CA 3.37Å; L877-V946 WeakPolarHBondContact O-CG1 3.07Å; L877-D947 WeakPolarHBondContact CD2-O 3.41Å; L877-D947 PolarHBondContact O-N 3.04Å; L877-I952 HydrophobicContact CD1-CD1 3.64Å; L877-I952 HydrophobicContact CD2-CD1 3.89Å; L877-I952 HydrophobicContact CG-CD1 4.4Å
878	F	90.9	Very high	64.9	Low	39.5 Å²	39.5	61 Å²	61	17%	0.173	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	126.2	173.6	169.7	-85.6	0	0	0	109.6	V841 H842 L843 E876 F880 I904 F944 C945 V946	V841-F878 HydrophobicContact CB-CE1 4.12Å; V841-F878 HydrophobicContact CG1-CD1 4.29Å; V841-F878 HydrophobicContact CG1-CE1 3.89Å; H842-F878 CarbonylContact C-O 3.56Å; H842-F878 WeakPolarHBondContact CA-O 3.25Å; L843-F878 HydrophobicContact CB-CB 4.14Å; L843-F878 PolarHBondContact N-O 2.92Å; L843-F878 PolarHBondContact O-N 3.21Å; L843-F878 VanDerWaalsContact O-N 3.13Å; E876-F878 VanDerWaalsContact C-N 3.25Å; E876-F878 PolarHBondContact O-N 3.23Å; E876-F878 VanDerWaalsContact O-N 3.11Å; F878-F880 HydrophobicContact CE1-CD2 4.18Å; F878-F880 AromaticContact CE1-CE2 3.54Å; F878-F880 HydrophobicContact CE1-CE2 3.54Å; F878-F880 VanDerWaalsContact CE1-CE2 3.5Å; F878-F880 HydrophobicContact CE1-CZ 4.31Å; F878-F880 HydrophobicContact CZ-CD2 4.42Å; F878-F880 AromaticContact CZ-CE2 3.52Å; F878-F880 HydrophobicContact CZ-CE2 3.52Å; F878-F880 VanDerWaalsContact CZ-CE2 3.5Å; F878-F880 AromaticContact CZ-CZ 3.82Å; F878-F880 HydrophobicContact CZ-CZ 3.82Å; F878-I904 HydrophobicContact CZ-CD1 4.44Å; F878-F944 AromaticContact CD2-CD2 3.81Å; F878-F944 HydrophobicContact CD2-CD2 3.81Å; F878-F944 HydrophobicContact CD2-CE2 4.29Å; F878-F944 HydrophobicContact CE2-CB 4.15Å; F878-F944 AromaticContact CE2-CD2 3.38Å; F878-F944 HydrophobicContact CE2-CD2 3.38Å; F878-F944 VanDerWaalsContact CE2-CD2 3.45Å; F878-F944 AromaticContact CE2-CE2 3.87Å; F878-F944 HydrophobicContact CE2-CE2 3.87Å; F878-F944 AromaticContact CE2-CG 3.87Å; F878-F944 HydrophobicContact CE2-CG 3.87Å; F878-F944 HydrophobicContact CZ-CB 4.39Å; F878-F944 HydrophobicContact CZ-CD2 4.36Å; F878-F944 HydrophobicContact CZ-CG 4.42Å; F878-C945 WeakPolarHBondContact CA-O 3.43Å; F878-V946 HydrophobicContact CB-CG2 4.41Å; F878-V946 HydrophobicContact CD2-CG2 3.8Å
879	H	88.4	Confident	64.3	Low	37.75 Å²	37.75	60.6 Å²	60.6	18%	0.175	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	163.2	177.9	70.5	-83	0	0	0	112.4	H842 E876 P881 F944 C945	H842-H879 VanDerWaalsContact CD2-CB 3.42Å; H842-H879 WeakPolarHBondContact CD2-CB 3.22Å; E876-H879 PolarHBondContact O-ND1 3.07Å; E876-H879 IonicContact OE2-CD2 3.31Å; E876-H879 IonicContact OE2-CE1 3.79Å; E876-H879 PolarHBondContact OE2-CE1 2.84Å; E876-H879 IonicContact OE2-CG 3.02Å; E876-H879 IonicContact OE2-ND1 3.79Å; E876-H879 PolarHBondContact OE2-ND1 3.29Å; E876-H879 IonicContact OE2-NE2 2.72Å; H879-P881 WeakPolarHBondContact O-CD 3.12Å; H879-F944 WeakPolarHBondContact O-CA 3.38Å; H879-C945 PolarHBondContact N-O 2.98Å; H879-C945 PolarHBondContact O-N 3.07Å
880	F	85.5	Confident	63.9	Low	16.25 Å²	16.25	58.6 Å²	58.6	7%	0.071	36%	0.359	C	S	.	.			trans	-102.4	107.4	171.9	-72.6	-90.8	0	0	0	109.3	S779 V841 F878 C882 A903 I904 F941 T942 H943 F944	S779-F880 WeakPolarHBondContact CB-O 3.32Å; V841-F880 HydrophobicContact CB-CD2 4.34Å; V841-F880 HydrophobicContact CB-CE2 4.11Å; V841-F880 WeakPolarHBondContact O-CD2 3.34Å; F878-F880 HydrophobicContact CE1-CD2 4.18Å; F878-F880 AromaticContact CE1-CE2 3.54Å; F878-F880 HydrophobicContact CE1-CE2 3.54Å; F878-F880 VanDerWaalsContact CE1-CE2 3.5Å; F878-F880 HydrophobicContact CE1-CZ 4.31Å; F878-F880 HydrophobicContact CZ-CD2 4.42Å; F878-F880 AromaticContact CZ-CE2 3.52Å; F878-F880 HydrophobicContact CZ-CE2 3.52Å; F878-F880 VanDerWaalsContact CZ-CE2 3.5Å; F878-F880 AromaticContact CZ-CZ 3.82Å; F878-F880 HydrophobicContact CZ-CZ 3.82Å; F880-C882 PolarHBondContact O-N 2.9Å; F880-A903 HydrophobicContact CD1-CB 3.71Å; F880-A903 HydrophobicContact CD2-CB 3.93Å; F880-A903 HydrophobicContact CE1-CB 3.71Å; F880-A903 VanDerWaalsContact CE1-O 3.24Å; F880-A903 WeakPolarHBondContact CE1-O 3.37Å; F880-A903 HydrophobicContact CE2-CB 3.91Å; F880-A903 HydrophobicContact CG-CB 3.84Å; F880-A903 HydrophobicContact CZ-CB 3.82Å; F880-A903 WeakPolarHBondContact CZ-O 3.34Å; F880-I904 HydrophobicContact CE1-CG1 4.48Å; F880-I904 HydrophobicContact CE2-CD1 4.2Å; F880-I904 HydrophobicContact CE2-CG1 4.07Å; F880-I904 HydrophobicContact CZ-CD1 4.07Å; F880-I904 HydrophobicContact CZ-CG1 3.58Å; F880-F941 HydrophobicContact CZ-CD1 4.37Å; F880-T942 VanDerWaalsContact CD1-OG1 3.26Å; F880-T942 WeakPolarHBondContact CD1-OG1 3.35Å; F880-T942 VanDerWaalsContact CE1-OG1 3.29Å; F880-T942 WeakPolarHBondContact CE1-OG1 3.35Å; F880-H943 VanDerWaalsContact CD1-O 3.25Å; F880-H943 WeakPolarHBondContact CD1-O 3.39Å; F880-F944 HydrophobicContact CD1-CB 3.9Å; F880-F944 HydrophobicContact CE1-CB 3.69Å; F880-F944 HydrophobicContact CE2-CB 4.48Å; F880-F944 HydrophobicContact CG-CB 4.4Å; F880-F944 HydrophobicContact CZ-CB 4.03Å
881	P	76.4	Confident	62.9	Low	30.75 Å²	30.75	58.9 Å²	58.9	20%	0.2	37%	0.365	C	S	.	.			trans	-62	137.1	-176.6	0.7	-0.6	0	0	0	112.2	H879 H943 C945	H879-P881 WeakPolarHBondContact O-CD 3.12Å; P881-H943 WeakPolarHBondContact CD-O 3.37Å; P881-C945 HydrophobicContact CG-CB 4.17Å
882	C	65	Low	61.5	Low	16.5 Å²	16.5	60.6 Å²	60.6	11%	0.111	38%	0.379	C	S	.	.			trans	-76.5	135.8	177	-166.9	0	0	0	0	110.3	S777 E780 F880 S884 T885	S777-C882 PolarHBondContact OG-SG 3.06Å; E780-C882 VanDerWaalsContact CD-SG 3.56Å; E780-C882 HydrophobicContact CG-CB 4.14Å; E780-C882 PolarHBondContact OE1-SG 2.68Å; F880-C882 PolarHBondContact O-N 2.9Å; C882-S884 WeakPolarHBondContact CB-OG 3.31Å; C882-S884 PolarHBondContact O-N 3.02Å; C882-S884 PolarHBondContact SG-OG 3.28Å; C882-T885 HydrophobicContact CB-CG2 4.35Å; C882-T885 PolarHBondContact O-N 3.2Å; C882-T885 PolarHBondContact O-OG1 3.02Å
883	P	53.2	Low	59.7	Low	112.75 Å²	112.75	64.8 Å²	64.8	73%	0.732	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-11.8	-179.9	-14.5	18.9	0	0	0	115.5
884	S	41.5	Very low	57.3	Low	86.75 Å²	86.75	67.6 Å²	67.6	61%	0.607	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.4	176.2	51.6	0	0	0	0	114.5	E780 C882	E780-S884 PolarHBondContact OE1-OG 3.38Å; C882-S884 WeakPolarHBondContact CB-OG 3.31Å; C882-S884 PolarHBondContact O-N 3.02Å; C882-S884 PolarHBondContact SG-OG 3.28Å
885	T	41.4	Very low	55	Low	99.75 Å²	99.75	71.7 Å²	71.7	61%	0.612	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-11.8	-166.8	51.4	0	0	0	0	116.1	C882 S887	C882-T885 HydrophobicContact CB-CG2 4.35Å; C882-T885 PolarHBondContact O-N 3.2Å; C882-T885 PolarHBondContact O-OG1 3.02Å; T885-S887 PolarHBondContact O-N 3.05Å; T885-S887 VanDerWaalsContact O-N 3.13Å
886	S	38.2	Very low	52.3	Low	63.25 Å²	63.25	82.5 Å²	82.5	44%	0.442	49%	0.493	S	S	.	.			trans	-73.4	101.3	179.2	59.7	0	0	0	0	111.8	L888	S886-L888 VanDerWaalsContact C-N 3.31Å; S886-L888 PolarHBondContact O-N 3.12Å
887	S	36	Very low	49.7	Very low	106 Å²	106	83 Å²	83	74%	0.741	50%	0.504	S	S	*	.			trans	-81.5	20	-177	59.2	0	0	0	0	114.9	T885 P889	T885-S887 PolarHBondContact O-N 3.05Å; T885-S887 VanDerWaalsContact O-N 3.13Å; S887-P889 VanDerWaalsContact O-CD 3.31Å; S887-P889 WeakPolarHBondContact O-CD 3.41Å
888	L	41.8	Very low	47.2	Very low	69.25 Å²	69.25	88.8 Å²	88.8	36%	0.363	53%	0.534	S	S	.	.			trans	-73.4	119.2	-179.2	-94.1	82.4	0	0	0	112.1	S886 G890 F1114 I1184	S886-L888 VanDerWaalsContact C-N 3.31Å; S886-L888 PolarHBondContact O-N 3.12Å; L888-G890 PolarHBondContact O-N 3.13Å; L888-G890 VanDerWaalsContact O-N 3.14Å; L888-F1114 HydrophobicContact CD1-CZ 4.24Å; L888-F1114 HydrophobicContact CD2-CD2 4.31Å; L888-F1114 HydrophobicContact CD2-CE1 4.16Å; L888-F1114 HydrophobicContact CD2-CE2 4.06Å; L888-F1114 HydrophobicContact CD2-CZ 3.68Å; L888-I1184 HydrophobicContact CD1-CD1 4.11Å; L888-I1184 HydrophobicContact CD2-CD1 3.96Å; L888-I1184 HydrophobicContact CG-CD1 3.86Å
889	P	29.9	Very low	45.2	Very low	121.5 Å²	121.5	90.5 Å²	90.5	79%	0.789	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	115.1	171.9	31.2	-30.5	0	0	0	110.1	S887	S887-P889 VanDerWaalsContact O-CD 3.31Å; S887-P889 WeakPolarHBondContact O-CD 3.41Å
890	G	37.9	Very low	43.8	Very low	81.5 Å²	81.5	95 Å²	95	84%	0.84	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	116.7	9	169.4	0	0	0	0	0	117	L888	L888-G890 PolarHBondContact O-N 3.13Å; L888-G890 VanDerWaalsContact O-N 3.14Å
891	S	36.6	Very low	43.2	Very low	50.25 Å²	50.25	100.7 Å²	100.7	35%	0.351	60%	0.603	S	S	.	*			trans	-89.7	130.7	164.4	172.2	0	0	0	0	110.4	C893	S891-C893 PolarHBondContact O-N 3.15Å; S891-C893 PolarHBondContact OG-SG 3.04Å; S891-C893 VanDerWaalsContact OG-SG 3.4Å
892	D	33.1	Very low	43.5	Very low	130.75 Å²	130.75	100.2 Å²	100.2	70%	0.699	60%	0.6	S	S	*	*			trans	-69	53.5	172.5	-69.7	-50.1	0	0	0	112.5	T894	D892-T894 PolarHBondContact O-N 2.99Å
893	C	35.5	Very low	44.5	Very low	89.25 Å²	89.25	99.6 Å²	99.6	60%	0.603	60%	0.597	S	S	*	*			trans	-76.8	50.7	173.6	-68.6	0	0	0	0	111	S891 T895	S891-C893 PolarHBondContact O-N 3.15Å; S891-C893 PolarHBondContact OG-SG 3.04Å; S891-C893 VanDerWaalsContact OG-SG 3.4Å; C893-T895 VanDerWaalsContact C-N 3.29Å; C893-T895 PolarHBondContact O-N 3.08Å
894	T	28.6	Very low	46.3	Very low	126.25 Å²	126.25	95.3 Å²	95.3	78%	0.775	57%	0.568	S	S	*	*			trans	-90.4	18.2	176.7	52.6	0	0	0	0	112.6	D892 R896	D892-T894 PolarHBondContact O-N 2.99Å; T894-R896 VanDerWaalsContact C-N 3.3Å; T894-R896 PolarHBondContact O-N 3.17Å; T894-R896 VanDerWaalsContact O-N 3.07Å
895	T	32.4	Very low	48.7	Very low	112.75 Å²	112.75	94.7 Å²	94.7	69%	0.692	55%	0.554	S	S	*	*			trans	-94.6	88.3	164	53.3	0	0	0	0	110	C893 S897	C893-T895 VanDerWaalsContact C-N 3.29Å; C893-T895 PolarHBondContact O-N 3.08Å; T895-S897 PolarHBondContact O-N 3.14Å
896	R	29.2	Very low	51.1	Low	253 Å²	253	92.1 Å²	92.1	96%	0.955	54%	0.536	S	S	*	.			trans	-65.3	74.2	158.8	-122.8	-177.2	-176.5	-174.5	1.3	109.1	T894 L898	T894-R896 VanDerWaalsContact C-N 3.3Å; T894-R896 PolarHBondContact O-N 3.17Å; T894-R896 VanDerWaalsContact O-N 3.07Å; R896-L898 PolarHBondContact O-N 2.96Å
897	S	32.6	Very low	53.7	Low	78.5 Å²	78.5	91.5 Å²	91.5	55%	0.549	53%	0.526	S	S	.	.			trans	-96.9	132	172.4	172.7	0	0	0	0	108.3	T895 S899 E901	T895-S897 PolarHBondContact O-N 3.14Å; S897-S899 VanDerWaalsContact C-N 3.31Å; S897-S899 PolarHBondContact O-N 2.93Å; S897-E901 PolarHBondContact OG-OE2 3.33Å
898	L	37.7	Very low	56.2	Low	141.75 Å²	141.75	86.8 Å²	86.8	74%	0.742	49%	0.494	S	S	*	.			trans	-68.1	114.4	168.7	-68.7	89.9	0	0	0	107.8	R896 N900	R896-L898 PolarHBondContact O-N 2.96Å; L898-N900 PolarHBondContact O-N 3.07Å; L898-N900 VanDerWaalsContact O-N 3.12Å
899	S	49.2	Very low	58.4	Low	76 Å²	76	85.5 Å²	85.5	53%	0.531	49%	0.488	S	S	.	.			trans	-69.6	64.9	-170.8	73.1	0	0	0	0	113.9	S897 E901	S897-S899 VanDerWaalsContact C-N 3.31Å; S897-S899 PolarHBondContact O-N 2.93Å; S899-E901 PolarHBondContact O-N 3.06Å; S899-E901 WeakPolarHBondContact OG-CB 3.47Å
900	N	57.9	Low	61	Low	133.25 Å²	133.25	81.5 Å²	81.5	71%	0.713	46%	0.459	S	S	*	.			trans	-97	21.7	-179.8	-64.4	-2.5	0	0	0	112.8	F839 L898	F839-N900 WeakPolarHBondContact CE1-O 3.49Å; L898-N900 PolarHBondContact O-N 3.07Å; L898-N900 VanDerWaalsContact O-N 3.12Å
901	E	73.2	Confident	62.9	Low	134 Å²	134	80.4 Å²	80.4	63%	0.626	43%	0.43	S	S	*	.			trans	-87.5	128.7	175.1	-151.2	173.3	-169.5	0	0	109.3	S897 S899 A903 T942	S897-E901 PolarHBondContact OG-OE2 3.33Å; S899-E901 PolarHBondContact O-N 3.06Å; S899-E901 WeakPolarHBondContact OG-CB 3.47Å; E901-A903 PolarHBondContact O-N 2.89Å; E901-T942 HydrophobicContact CG-CG2 4.23Å
902	P	83.1	Confident	64.6	Low	20.25 Å²	20.25	82.6 Å²	82.6	13%	0.131	43%	0.434	C	S	.	.			trans	-67.4	135.6	-180	28.4	-35	0	0	0	110.5	Q837 L838 F839 I904 K905 T942	Q837-P902 HydrophobicContact CB-CB 3.9Å; Q837-P902 HydrophobicContact CB-CG 4.23Å; Q837-P902 HydrophobicContact CG-CB 4.33Å; Q837-P902 HydrophobicContact CG-CG 4.12Å; L838-P902 CarbonylContact O-C 3.54Å; F839-P902 HydrophobicContact CD1-CB 4.31Å; F839-P902 HydrophobicContact CD2-CB 4.27Å; F839-P902 HydrophobicContact CE1-CB 4.19Å; F839-P902 HydrophobicContact CE2-CB 4.21Å; F839-P902 HydrophobicContact CG-CB 4.35Å; F839-P902 HydrophobicContact CZ-CB 4.29Å; P902-I904 VanDerWaalsContact C-N 3.29Å; P902-I904 PolarHBondContact O-N 3.07Å; P902-K905 HydrophobicContact CG-CB 4.21Å; P902-T942 VanDerWaalsContact O-CG2 3.32Å; P902-T942 WeakPolarHBondContact O-CG2 3.4Å
903	A	85.5	Confident	65.8	Low	5.25 Å²	5.25	78.4 Å²	78.4	4%	0.043	42%	0.415	C	S	.	.	S	Bend	trans	-57.8	-37.1	177.7	0	0	0	0	0	113	L838 F880 E901 T942	L838-A903 WeakPolarHBondContact O-CA 3.41Å; L838-A903 WeakPolarHBondContact O-CB 3.34Å; L838-A903 PolarHBondContact O-N 3.2Å; F880-A903 HydrophobicContact CD1-CB 3.71Å; F880-A903 HydrophobicContact CD2-CB 3.93Å; F880-A903 HydrophobicContact CE1-CB 3.71Å; F880-A903 VanDerWaalsContact CE1-O 3.24Å; F880-A903 WeakPolarHBondContact CE1-O 3.37Å; F880-A903 HydrophobicContact CE2-CB 3.91Å; F880-A903 HydrophobicContact CG-CB 3.84Å; F880-A903 HydrophobicContact CZ-CB 3.82Å; F880-A903 WeakPolarHBondContact CZ-O 3.34Å; E901-A903 PolarHBondContact O-N 2.89Å; A903-T942 WeakPolarHBondContact CA-OG1 3.35Å; A903-T942 PolarHBondContact O-N 2.88Å; A903-T942 PolarHBondContact O-OG1 3.17Å
904	I	91.1	Very high	66.8	Low	22 Å²	22	78.8 Å²	78.8	11%	0.113	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.1	172.6	-52.2	176.4	0	0	0	108.5	Q837 L838 V841 F878 F880 P902 I939 D940 F941	Q837-I904 CarbonylContact C-O 3.44Å; Q837-I904 WeakPolarHBondContact CA-O 3.32Å; L838-I904 HydrophobicContact CB-CB 4.28Å; L838-I904 HydrophobicContact CD1-CB 4.12Å; L838-I904 HydrophobicContact CD1-CD1 4.18Å; L838-I904 HydrophobicContact CD1-CG2 4.27Å; L838-I904 HydrophobicContact CG-CB 4.33Å; L838-I904 PolarHBondContact N-O 2.9Å; L838-I904 PolarHBondContact O-N 3.11Å; L838-I904 VanDerWaalsContact O-N 3.16Å; V841-I904 HydrophobicContact CG2-CD1 4.12Å; F878-I904 HydrophobicContact CZ-CD1 4.44Å; F880-I904 HydrophobicContact CE1-CG1 4.48Å; F880-I904 HydrophobicContact CE2-CD1 4.2Å; F880-I904 HydrophobicContact CE2-CG1 4.07Å; F880-I904 HydrophobicContact CZ-CD1 4.07Å; F880-I904 HydrophobicContact CZ-CG1 3.58Å; P902-I904 VanDerWaalsContact C-N 3.29Å; P902-I904 PolarHBondContact O-N 3.07Å; I904-I939 HydrophobicContact CG2-CG2 4.13Å; I904-D940 CarbonylContact C-O 3.48Å; I904-D940 WeakPolarHBondContact CA-O 3.4Å; I904-F941 HydrophobicContact CD1-CD1 4.23Å; I904-F941 HydrophobicContact CD1-CE1 3.81Å; I904-F941 HydrophobicContact CG1-CD1 3.82Å; I904-F941 HydrophobicContact CG1-CE1 3.89Å; I904-F941 HydrophobicContact CG2-CD1 4.36Å; I904-F941 HydrophobicContact CG2-CE1 4.11Å; I904-F941 HydrophobicContact CG2-CZ 4.45Å
905	K	92.1	Very high	67.7	Low	75 Å²	75	77.3 Å²	77.3	33%	0.326	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	109.7	170.2	-179.9	179.4	178.6	-176.4	0	110.5	N835 I836 Q837 P902 I939 D940	N835-K905 WeakPolarHBondContact OD1-CE 3.44Å; I836-K905 CarbonylContact O-C 3.52Å; I836-K905 WeakPolarHBondContact O-CA 3.27Å; Q837-K905 HydrophobicContact CG-CB 4.46Å; Q837-K905 HydrophobicContact CG-CD 4.43Å; Q837-K905 HydrophobicContact CG-CG 4.11Å; P902-K905 HydrophobicContact CG-CB 4.21Å; K905-I939 CarbonylContact O-C 3.53Å; K905-I939 WeakPolarHBondContact O-CA 3.38Å; K905-D940 HydrophobicContact CB-CB 4.38Å; K905-D940 PolarHBondContact N-O 3.1Å; K905-D940 PolarHBondContact O-N 3Å
906	L	92.1	Very high	68.2	Low	43.5 Å²	43.5	77.2 Å²	77.2	23%	0.228	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.5	178.9	163	65.3	0	0	0	108.8	F834 N835 I836 I937 H938 I939	F834-L906 HydrophobicContact CD2-CG 4.3Å; F834-L906 HydrophobicContact CE2-CD1 3.72Å; F834-L906 HydrophobicContact CE2-CD2 4.05Å; F834-L906 HydrophobicContact CE2-CG 3.71Å; F834-L906 HydrophobicContact CZ-CD1 4.35Å; N835-L906 CarbonylContact C-O 3.53Å; N835-L906 WeakPolarHBondContact CA-O 3.36Å; I836-L906 HydrophobicContact CB-CB 4.15Å; I836-L906 HydrophobicContact CB-CD2 4.39Å; I836-L906 HydrophobicContact CB-CG 4.4Å; I836-L906 HydrophobicContact CD1-CD2 3.97Å; I836-L906 HydrophobicContact CD1-CG 4.32Å; I836-L906 HydrophobicContact CG2-CB 4.5Å; I836-L906 PolarHBondContact N-O 2.93Å; I836-L906 PolarHBondContact O-N 2.85Å; L906-I937 HydrophobicContact CD1-CG2 3.85Å; L906-H938 CarbonylContact C-O 3.52Å; L906-H938 WeakPolarHBondContact CA-O 3.3Å; L906-I939 HydrophobicContact CB-CG2 4.39Å; L906-I939 HydrophobicContact CD1-CD1 3.93Å; L906-I939 HydrophobicContact CD1-CG1 3.72Å
907	H	92.3	Very high	68.8	Low	52 Å²	52	70.5 Å²	70.5	24%	0.241	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.3	177.9	60.3	-70.9	0	0	0	111.5	F834 N835 H938 D940	F834-H907 VanDerWaalsContact CE2-C 3.43Å; F834-H907 CarbonylContact O-C 3.51Å; F834-H907 VanDerWaalsContact O-CA 3.22Å; F834-H907 WeakPolarHBondContact O-CA 3.36Å; F834-H907 WeakPolarHBondContact O-CB 3.39Å; N835-H907 HydrophobicContact CB-CB 4.39Å; H907-H938 AromaticContact CD2-CD2 3.87Å; H907-H938 VanDerWaalsContact CE1-CB 3.43Å; H907-H938 WeakPolarHBondContact CE1-CB 3.39Å; H907-H938 PolarHBondContact N-O 3.11Å; H907-H938 PolarHBondContact ND1-O 2.89Å; H907-H938 WeakPolarHBondContact NE2-CB 3.35Å; H907-H938 AromaticContact NE2-CD2 3.7Å; H907-H938 AromaticContact NE2-CG 3.8Å; H907-H938 WeakPolarHBondContact O-CA 3.26Å; H907-H938 WeakPolarHBondContact O-CB 3.36Å; H907-H938 PolarHBondContact O-N 3.3Å; H907-H938 VanDerWaalsContact O-O 3.13Å; H907-D940 IonicContact CE1-OD2 3.15Å; H907-D940 PolarHBondContact CE1-OD2 2.84Å
908	G	88.6	Confident	69	Low	6 Å²	6	72.8 Å²	72.8	6%	0.062	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	171.7	-176.4	0	0	0	0	0	115.3	C833 F834 E936	C833-G908 CarbonylContact C-O 3.48Å; C833-G908 VanDerWaalsContact CA-O 3.27Å; C833-G908 WeakPolarHBondContact CA-O 3.28Å; F834-G908 VanDerWaalsContact CD1-O 3.28Å; F834-G908 WeakPolarHBondContact CD1-O 3.35Å; F834-G908 VanDerWaalsContact CE1-C 3.5Å; F834-G908 VanDerWaalsContact CE1-CA 3.47Å; F834-G908 VanDerWaalsContact CE2-N 3.35Å; F834-G908 PolarHBondContact N-O 2.93Å; F834-G908 PolarHBondContact O-N 3.19Å; G908-E936 CarbonylContact C-O 3.58Å; G908-E936 WeakPolarHBondContact CA-O 3.29Å
909	N	87.1	Confident	68.9	Low	43.25 Å²	43.25	70 Å²	70	23%	0.231	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.9	176.7	-65.5	-56.7	0	0	0	108.6	Q831 L832 C833 Y911 N935 E936	Q831-N909 PolarHBondContact NE2-OD1 3.03Å; L832-N909 CarbonylContact O-C 3.44Å; L832-N909 WeakPolarHBondContact O-CA 3.13Å; C833-N909 WeakPolarHBondContact CB-OD1 3.14Å; C833-N909 PolarHBondContact SG-OD1 3.02Å; N909-Y911 HydrophobicContact CB-CE2 4.2Å; N909-N935 WeakPolarHBondContact O-CA 3.38Å; N909-E936 PolarHBondContact N-O 3.04Å; N909-E936 PolarHBondContact O-N 3.05Å
910	L	84.5	Confident	68.1	Low	37.75 Å²	37.75	73.2 Å²	73.2	20%	0.198	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.8	172.1	-52.6	179.4	0	0	0	109.3	Q831 L832 F834 F912 N935 I937	Q831-L910 CarbonylContact C-O 3.55Å; Q831-L910 VanDerWaalsContact CA-O 3.3Å; Q831-L910 WeakPolarHBondContact CA-O 3.34Å; L832-L910 HydrophobicContact CB-CB 4.44Å; L832-L910 HydrophobicContact CD2-CD1 4.42Å; L832-L910 PolarHBondContact N-O 3.02Å; L832-L910 PolarHBondContact O-N 3.18Å; F834-L910 HydrophobicContact CD1-CG 4.46Å; F834-L910 HydrophobicContact CE1-CD1 4.14Å; F834-L910 HydrophobicContact CE1-CD2 4.27Å; F834-L910 HydrophobicContact CE1-CG 3.9Å; L910-F912 HydrophobicContact CB-CE2 3.85Å; L910-F912 HydrophobicContact CB-CZ 3.85Å; L910-F912 HydrophobicContact CD1-CZ 4.11Å; L910-N935 WeakPolarHBondContact CA-OD1 3.38Å; L910-N935 HydrophobicContact CD2-CB 3.89Å; L910-I937 HydrophobicContact CD2-CD1 4.25Å; L910-I937 HydrophobicContact CD2-CG1 4.18Å
911	Y	78.7	Confident	67.2	Low	56.75 Å²	56.75	71.2 Å²	71.2	22%	0.223	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123	178.2	-63.6	-84.8	0	0	0	109.9	L815 T830 Q831 N909 F933 T934 N935	L815-Y911 HydrophobicContact CD1-CE1 4.26Å; T830-Y911 WeakPolarHBondContact O-CA 3.35Å; Q831-Y911 HydrophobicContact CB-CD1 3.95Å; Q831-Y911 HydrophobicContact CB-CE1 3.88Å; Q831-Y911 HydrophobicContact CG-CD1 4.01Å; Q831-Y911 HydrophobicContact CG-CE1 3.59Å; Q831-Y911 PolarHBondContact NE2-OH 2.92Å; N909-Y911 HydrophobicContact CB-CE2 4.2Å; Y911-F933 AromaticContact CD1-CD1 3.85Å; Y911-F933 HydrophobicContact CD1-CD1 3.94Å; Y911-F933 HydrophobicContact CD1-CE1 4.31Å; Y911-F933 HydrophobicContact CD2-CB 4.36Å; Y911-F933 HydrophobicContact CD2-CD1 4.37Å; Y911-F933 HydrophobicContact CE1-CD1 4.44Å; Y911-F933 HydrophobicContact CG-CB 4.31Å; Y911-F933 AromaticContact CG-CD1 3.79Å; Y911-F933 HydrophobicContact CG-CD1 3.79Å; Y911-F933 HydrophobicContact CG-CE1 4.5Å; Y911-F933 HydrophobicContact CG-CG 4.39Å; Y911-T934 WeakPolarHBondContact CD2-O 3.37Å; Y911-T934 WeakPolarHBondContact CE2-O 3.34Å; Y911-N935 PolarHBondContact N-OD1 2.96Å
912	F	71.8	Confident	65.4	Low	98 Å²	98	76 Å²	76	43%	0.43	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120	173.7	-50.2	-83.4	0	0	0	108.4	S829 T830 L832 L910 H914	S829-F912 CarbonylContact C-O 3.54Å; S829-F912 VanDerWaalsContact CA-O 3.28Å; S829-F912 WeakPolarHBondContact CA-O 3.39Å; S829-F912 PolarHBondContact OG-O 2.97Å; T830-F912 HydrophobicContact CG2-CD2 4.43Å; T830-F912 PolarHBondContact N-O 2.99Å; T830-F912 WeakPolarHBondContact O-CD2 3.31Å; T830-F912 PolarHBondContact O-N 3.29Å; T830-F912 PolarHBondContact OG1-O 2.78Å; L832-F912 HydrophobicContact CB-CE2 3.89Å; L832-F912 HydrophobicContact CD2-CE2 4.33Å; L910-F912 HydrophobicContact CB-CE2 3.85Å; L910-F912 HydrophobicContact CB-CZ 3.85Å; L910-F912 HydrophobicContact CD1-CZ 4.11Å; F912-H914 PolarHBondContact O-N 3.23Å
913	S	58.5	Low	63.1	Low	42.75 Å²	42.75	82.6 Å²	82.6	30%	0.299	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.5	175.4	-39.9	0	0	0	0	110	F933	S913-F933 VanDerWaalsContact OG-CD2 3.25Å; S913-F933 WeakPolarHBondContact OG-CD2 3.37Å; S913-F933 VanDerWaalsContact OG-CE2 3.29Å; S913-F933 WeakPolarHBondContact OG-CE2 3.42Å
914	H	55.7	Low	60.7	Low	96 Å²	96	88.6 Å²	88.6	44%	0.444	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.1	168.1	-68.5	-85.2	0	0	0	108.7	S828 T830 F912 D916	S828-H914 PolarHBondContact O-N 3.02Å; S828-H914 VanDerWaalsContact O-N 3.11Å; S828-H914 VanDerWaalsContact O-O 3.1Å; S828-H914 PolarHBondContact OG-O 2.9Å; T830-H914 PolarHBondContact OG1-CD2 3.11Å; T830-H914 VanDerWaalsContact OG1-CD2 3.25Å; T830-H914 PolarHBondContact OG1-NE2 3Å; F912-H914 PolarHBondContact O-N 3.23Å; H914-D916 PolarHBondContact O-N 2.86Å
915	I	47.6	Very low	57.9	Low	96.5 Å²	96.5	93.6 Å²	93.6	50%	0.495	51%	0.508	S	S	.	.			trans	-100.2	103.9	165.6	-55.9	-178.9	0	0	0	107	V917 F1040	I915-V917 HydrophobicContact CB-CG2 4.42Å; I915-V917 HydrophobicContact CG2-CG2 3.87Å; I915-V917 PolarHBondContact O-N 3.1Å; I915-F1040 HydrophobicContact CD1-CD2 4.22Å; I915-F1040 HydrophobicContact CD1-CE1 3.64Å; I915-F1040 HydrophobicContact CD1-CE2 3.75Å; I915-F1040 HydrophobicContact CD1-CZ 3.84Å; I915-F1040 HydrophobicContact CG1-CD2 4.39Å; I915-F1040 HydrophobicContact CG1-CE1 4.36Å; I915-F1040 HydrophobicContact CG1-CE2 3.66Å; I915-F1040 HydrophobicContact CG1-CZ 4.11Å
916	D	42.6	Very low	55	Low	110.25 Å²	110.25	93.3 Å²	93.3	59%	0.59	53%	0.526	S	S	*	.			trans	-75.3	106.5	165.6	-71.9	-41.4	0	0	0	108.4	Y814 S828 H914 D918	Y814-D916 PolarHBondContact OH-OD2 2.83Å; S828-D916 WeakPolarHBondContact CB-OD2 3.38Å; S828-D916 PolarHBondContact OG-OD2 3.12Å; S828-D916 VanDerWaalsContact OG-OD2 3.06Å; H914-D916 PolarHBondContact O-N 2.86Å; D916-D918 PolarHBondContact O-N 2.99Å; D916-D918 VanDerWaalsContact O-N 3.13Å
917	V	43.4	Very low	52.3	Low	111.75 Å²	111.75	96.7 Å²	96.7	68%	0.677	55%	0.553	S	S	*	*			trans	-82.9	51.4	-174.1	-169.4	0	0	0	0	111.7	I915 S919	I915-V917 HydrophobicContact CB-CG2 4.42Å; I915-V917 HydrophobicContact CG2-CG2 3.87Å; I915-V917 PolarHBondContact O-N 3.1Å; V917-S919 VanDerWaalsContact C-N 3.32Å; V917-S919 PolarHBondContact O-N 2.69Å
918	D	36.1	Very low	49.7	Very low	125.75 Å²	125.75	100.8 Å²	100.8	67%	0.672	57%	0.573	S	S	*	*			trans	-111.9	61.8	-178.1	-89.9	-16.4	0	0	0	112.9	K469 D916	K469-D918 IonicContact NZ-OD1 3.14Å; K469-D918 PolarHBondContact NZ-OD1 3.2Å; K469-D918 IonicContact NZ-OD2 2.74Å; K469-D918 PolarHBondContact NZ-OD2 3.25Å; D916-D918 PolarHBondContact O-N 2.99Å; D916-D918 VanDerWaalsContact O-N 3.13Å
919	S	35.3	Very low	47.3	Very low	85 Å²	85	106.3 Å²	106.3	59%	0.594	60%	0.599	S	S	*	*			trans	-163.3	105.5	158.3	46.4	0	0	0	0	113.9	V917 S921	V917-S919 VanDerWaalsContact C-N 3.32Å; V917-S919 PolarHBondContact O-N 2.69Å; S919-S921 VanDerWaalsContact C-N 3.31Å; S919-S921 PolarHBondContact O-N 3.1Å
920	P	33	Very low	45.2	Very low	141.5 Å²	141.5	108.3 Å²	108.3	92%	0.919	62%	0.616	S	S	*	*			trans	-81.6	74	173.1	33	-33	0	0	0	111.2	R922	P920-R922 PolarHBondContact O-N 2.98Å
921	S	38.4	Very low	43.5	Very low	91 Å²	91	111.5 Å²	111.5	64%	0.636	63%	0.63	S	S	*	*			trans	-117.7	111.9	173	68.2	0	0	0	0	113.2	S919 I923	S919-S921 VanDerWaalsContact C-N 3.31Å; S919-S921 PolarHBondContact O-N 3.1Å; S921-I923 PolarHBondContact O-N 3.19Å
922	R	34.8	Very low	42.4	Very low	235.25 Å²	235.25	114.2 Å²	114.2	89%	0.888	65%	0.648	S	S	*	*			trans	-25.5	104.5	171.7	-156.7	-175.5	-89	-170.7	-1.6	115.6	P920 T924	P920-R922 PolarHBondContact O-N 2.98Å; R922-T924 PolarHBondContact O-N 2.86Å
923	I	35.4	Very low	42.1	Very low	159.5 Å²	159.5	111.3 Å²	111.3	82%	0.818	64%	0.635	S	S	*	*			trans	-2.4	109.2	149	-50.2	173	0	0	0	114.5	S921	S921-I923 PolarHBondContact O-N 3.19Å
924	T	36.4	Very low	42.8	Very low	130.75 Å²	130.75	111.6 Å²	111.6	80%	0.802	64%	0.636	S	S	*	*			trans	-129.2	125.5	152.6	46.4	0	0	0	0	110.2	R922 G926	R922-T924 PolarHBondContact O-N 2.86Å; T924-G926 PolarHBondContact O-N 3.03Å
925	S	31.2	Very low	44.1	Very low	127.25 Å²	127.25	107.8 Å²	107.8	89%	0.89	62%	0.618	S	S	*	*			trans	-41.7	108.2	173	51.3	0	0	0	0	113.7
926	G	32.3	Very low	46	Very low	69.5 Å²	69.5	107 Å²	107	72%	0.716	61%	0.613	S	S	*	*			trans	-160.6	109.6	171.6	0	0	0	0	0	113	T924 Q928	T924-G926 PolarHBondContact O-N 3.03Å; G926-Q928 PolarHBondContact O-N 2.82Å; G926-Q928 VanDerWaalsContact O-N 3.15Å
927	S	34.6	Very low	48.2	Very low	113.5 Å²	113.5	103.4 Å²	103.4	79%	0.794	59%	0.593	S	S	*	*			trans	15.6	99.8	166.8	-179.9	0	0	0	0	115.7	I929	S927-I929 PolarHBondContact O-N 3.08Å
928	Q	37.3	Very low	50.6	Low	138.75 Å²	138.75	100.4 Å²	100.4	65%	0.648	57%	0.571	S	S	*	*			trans	-73.3	122.3	166.5	-97.2	158.8	-22.3	0	0	110.8	G926 S1036 H1039	G926-Q928 PolarHBondContact O-N 2.82Å; G926-Q928 VanDerWaalsContact O-N 3.15Å; Q928-S1036 PolarHBondContact NE2-O 3.06Å; Q928-S1036 VanDerWaalsContact NE2-O 3.08Å; Q928-H1039 PolarHBondContact NE2-CD2 3.29Å; Q928-H1039 PolarHBondContact NE2-NE2 3.32Å; Q928-H1039 VanDerWaalsContact NE2-NE2 3.14Å
929	I	38.9	Very low	53.3	Low	121.5 Å²	121.5	95.6 Å²	95.6	62%	0.623	55%	0.546	S	S	*	.			trans	-98	99.2	159.3	-58.2	172.5	0	0	0	107.5	S927 Q931	S927-I929 PolarHBondContact O-N 3.08Å; I929-Q931 PolarHBondContact O-N 3.39Å
930	C	41.7	Very low	56	Low	85 Å²	85	93.6 Å²	93.6	57%	0.574	53%	0.528	S	S	*	.			trans	-70.8	130.1	158.2	-144.3	0	0	0	0	107.2	D932	C930-D932 PolarHBondContact O-N 2.88Å; C930-D932 PolarHBondContact SG-OD1 2.87Å; C930-D932 VanDerWaalsContact SG-OD1 3.36Å
931	Q	49.5	Very low	58.7	Low	105.25 Å²	105.25	89.3 Å²	89.3	49%	0.492	50%	0.495	S	S	.	.			trans	-103.1	107.5	168.4	-172.7	169.1	-3.6	0	0	106.9	I929 F933	I929-Q931 PolarHBondContact O-N 3.39Å; Q931-F933 WeakPolarHBondContact O-CD2 3.35Å; Q931-F933 PolarHBondContact O-N 3.11Å; Q931-F933 VanDerWaalsContact O-N 3.14Å
932	D	56.3	Low	61.2	Low	114.25 Å²	114.25	86.7 Å²	86.7	61%	0.611	48%	0.476	S	S	*	.			trans	-74.4	111.9	-172.8	-53.8	-36.3	0	0	0	109.6	C930 T934	C930-D932 PolarHBondContact O-N 2.88Å; C930-D932 PolarHBondContact SG-OD1 2.87Å; C930-D932 VanDerWaalsContact SG-OD1 3.36Å; D932-T934 PolarHBondContact O-N 2.97Å; D932-T934 VanDerWaalsContact O-N 3.1Å
933	F	65.6	Low	63.7	Low	36.25 Å²	36.25	78.1 Å²	78.1	16%	0.159	45%	0.445	C	S	.	.			trans	-84.9	119.3	174.1	-72.1	-83.5	0	0	0	109.7	I817 Y911 S913 Q931 F1040 S1042 S1043	I817-F933 HydrophobicContact CD1-CE1 4.16Å; I817-F933 HydrophobicContact CD1-CZ 4.01Å; Y911-F933 AromaticContact CD1-CD1 3.85Å; Y911-F933 HydrophobicContact CD1-CD1 3.94Å; Y911-F933 HydrophobicContact CD1-CE1 4.31Å; Y911-F933 HydrophobicContact CD2-CB 4.36Å; Y911-F933 HydrophobicContact CD2-CD1 4.37Å; Y911-F933 HydrophobicContact CE1-CD1 4.44Å; Y911-F933 HydrophobicContact CG-CB 4.31Å; Y911-F933 AromaticContact CG-CD1 3.79Å; Y911-F933 HydrophobicContact CG-CD1 3.79Å; Y911-F933 HydrophobicContact CG-CE1 4.5Å; Y911-F933 HydrophobicContact CG-CG 4.39Å; S913-F933 VanDerWaalsContact OG-CD2 3.25Å; S913-F933 WeakPolarHBondContact OG-CD2 3.37Å; S913-F933 VanDerWaalsContact OG-CE2 3.29Å; S913-F933 WeakPolarHBondContact OG-CE2 3.42Å; Q931-F933 WeakPolarHBondContact O-CD2 3.35Å; Q931-F933 PolarHBondContact O-N 3.11Å; Q931-F933 VanDerWaalsContact O-N 3.14Å; F933-F1040 HydrophobicContact CE2-CD1 4.36Å; F933-S1042 VanDerWaalsContact O-CA 3.31Å; F933-S1042 WeakPolarHBondContact O-CA 3.39Å; F933-S1042 PolarHBondContact O-OG 2.73Å; F933-S1043 PolarHBondContact O-N 3.18Å
934	T	73	Confident	66.3	Low	50 Å²	50	71.8 Å²	71.8	31%	0.307	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115	173.9	-35.9	0	0	0	0	110.3	Y911 D932 E936 S1043 N1045	Y911-T934 WeakPolarHBondContact CD2-O 3.37Å; Y911-T934 WeakPolarHBondContact CE2-O 3.34Å; D932-T934 PolarHBondContact O-N 2.97Å; D932-T934 VanDerWaalsContact O-N 3.1Å; T934-E936 HydrophobicContact CG2-CG 4.44Å; T934-S1043 CarbonylContact C-O 3.55Å; T934-S1043 VanDerWaalsContact CA-O 3.29Å; T934-S1043 WeakPolarHBondContact CA-O 3.38Å; T934-S1043 WeakPolarHBondContact CA-OG 3.43Å; T934-S1043 WeakPolarHBondContact CG2-OG 3.33Å; T934-S1043 PolarHBondContact OG1-OG 3.3Å; T934-S1043 VanDerWaalsContact OG1-OG 3.13Å; T934-N1045 HydrophobicContact CG2-CB 4.05Å; T934-N1045 VanDerWaalsContact CG2-ND2 3.33Å; T934-N1045 WeakPolarHBondContact CG2-ND2 3.39Å
935	N	83	Confident	68.9	Low	15.25 Å²	15.25	65.8 Å²	65.8	8%	0.082	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.8	168.4	-66.8	-34.8	0	0	0	108.9	N909 L910 Y911 S1042 S1043 T1044 N1045	N909-N935 WeakPolarHBondContact O-CA 3.38Å; L910-N935 WeakPolarHBondContact CA-OD1 3.38Å; L910-N935 HydrophobicContact CD2-CB 3.89Å; Y911-N935 PolarHBondContact N-OD1 2.96Å; N935-S1042 WeakPolarHBondContact ND2-CB 3.46Å; N935-S1042 PolarHBondContact ND2-OG 2.84Å; N935-S1043 PolarHBondContact N-O 2.86Å; N935-T1044 HydrophobicContact CB-CG2 4.2Å; N935-T1044 PolarHBondContact ND2-OG1 3.08Å; N935-N1045 PolarHBondContact O-N 3.19Å
936	E	86.6	Confident	71.8	Confident	80 Å²	80	61.1 Å²	61.1	37%	0.374	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123	-179	-85.7	-180	164.8	0	0	110.2	G908 N909 T934 H938 N1045	G908-E936 CarbonylContact C-O 3.58Å; G908-E936 WeakPolarHBondContact CA-O 3.29Å; N909-E936 PolarHBondContact N-O 3.04Å; N909-E936 PolarHBondContact O-N 3.05Å; T934-E936 HydrophobicContact CG2-CG 4.44Å; E936-H938 VanDerWaalsContact CD-CE1 3.48Å; E936-H938 VanDerWaalsContact CG-CE1 3.48Å; E936-H938 WeakPolarHBondContact CG-CE1 3.44Å; E936-H938 IonicContact OE1-CE1 3.26Å; E936-H938 PolarHBondContact OE1-CE1 3.25Å; E936-H938 VanDerWaalsContact OE1-CE1 3.22Å; E936-H938 IonicContact OE1-NE2 3.13Å; E936-N1045 CarbonylContact C-O 3.58Å; E936-N1045 WeakPolarHBondContact CA-O 3.44Å
937	I	90.2	Very high	74.6	Confident	35.25 Å²	35.25	58.7 Å²	58.7	18%	0.181	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.1	178.3	-56	178.8	0	0	0	108.9	F834 L906 L910 I939 T1044 N1045 M1046 T1047	F834-I937 HydrophobicContact CZ-CG1 4.36Å; F834-I937 HydrophobicContact CZ-CG2 4.37Å; L906-I937 HydrophobicContact CD1-CG2 3.85Å; L910-I937 HydrophobicContact CD2-CD1 4.25Å; L910-I937 HydrophobicContact CD2-CG1 4.18Å; I937-I939 HydrophobicContact CG2-CG1 4.23Å; I937-T1044 HydrophobicContact CD1-CG2 3.94Å; I937-T1044 HydrophobicContact CG1-CG2 4.42Å; I937-N1045 PolarHBondContact N-O 3.17Å; I937-M1046 HydrophobicContact CB-CB 4.36Å; I937-M1046 HydrophobicContact CB-CG 4.35Å; I937-M1046 HydrophobicContact CG2-CG 4.38Å; I937-M1046 CarbonylContact O-C 3.57Å; I937-M1046 VanDerWaalsContact O-CA 3.29Å; I937-M1046 WeakPolarHBondContact O-CA 3.32Å; I937-T1047 PolarHBondContact O-N 3.02Å
938	H	92.1	Very high	77.3	Confident	47.5 Å²	47.5	56.8 Å²	56.8	22%	0.22	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.1	177.8	-61.5	-51	0	0	0	110.3	L906 H907 E936 T1047	L906-H938 CarbonylContact C-O 3.52Å; L906-H938 WeakPolarHBondContact CA-O 3.3Å; H907-H938 AromaticContact CD2-CD2 3.87Å; H907-H938 VanDerWaalsContact CE1-CB 3.43Å; H907-H938 WeakPolarHBondContact CE1-CB 3.39Å; H907-H938 PolarHBondContact N-O 3.11Å; H907-H938 PolarHBondContact ND1-O 2.89Å; H907-H938 WeakPolarHBondContact NE2-CB 3.35Å; H907-H938 AromaticContact NE2-CD2 3.7Å; H907-H938 AromaticContact NE2-CG 3.8Å; H907-H938 WeakPolarHBondContact O-CA 3.26Å; H907-H938 WeakPolarHBondContact O-CB 3.36Å; H907-H938 PolarHBondContact O-N 3.3Å; H907-H938 VanDerWaalsContact O-O 3.13Å; E936-H938 VanDerWaalsContact CD-CE1 3.48Å; E936-H938 VanDerWaalsContact CG-CE1 3.48Å; E936-H938 WeakPolarHBondContact CG-CE1 3.44Å; E936-H938 IonicContact OE1-CE1 3.26Å; E936-H938 PolarHBondContact OE1-CE1 3.25Å; E936-H938 VanDerWaalsContact OE1-CE1 3.22Å; E936-H938 IonicContact OE1-NE2 3.13Å; H938-T1047 CarbonylContact C-O 3.49Å; H938-T1047 WeakPolarHBondContact CA-O 3.38Å; H938-T1047 PolarHBondContact ND1-OG1 2.97Å
939	I	93.3	Very high	79.8	Confident	25.75 Å²	25.75	50.2 Å²	50.2	13%	0.132	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.1	175.7	-36.9	-166.7	0	0	0	109.1	I904 K905 L906 I937 F941 M1046 T1047 V1048 K1049	I904-I939 HydrophobicContact CG2-CG2 4.13Å; K905-I939 CarbonylContact O-C 3.53Å; K905-I939 WeakPolarHBondContact O-CA 3.38Å; L906-I939 HydrophobicContact CB-CG2 4.39Å; L906-I939 HydrophobicContact CD1-CD1 3.93Å; L906-I939 HydrophobicContact CD1-CG1 3.72Å; I937-I939 HydrophobicContact CG2-CG1 4.23Å; I939-F941 HydrophobicContact CB-CE2 4.07Å; I939-F941 HydrophobicContact CG2-CD2 3.95Å; I939-F941 HydrophobicContact CG2-CE2 3.36Å; I939-F941 HydrophobicContact CG2-CZ 3.82Å; I939-M1046 HydrophobicContact CD1-CE 3.53Å; I939-M1046 HydrophobicContact CG1-CE 4.27Å; I939-T1047 PolarHBondContact N-O 3.21Å; I939-V1048 HydrophobicContact CB-CG1 4.31Å; I939-V1048 HydrophobicContact CB-CG2 4.22Å; I939-V1048 HydrophobicContact CD1-CG2 4.41Å; I939-V1048 HydrophobicContact CG1-CG2 4.28Å; I939-V1048 CarbonylContact O-C 3.56Å; I939-V1048 VanDerWaalsContact O-CA 3.25Å; I939-V1048 WeakPolarHBondContact O-CA 3.35Å; I939-V1048 WeakPolarHBondContact O-CG1 3.36Å; I939-K1049 PolarHBondContact O-N 3.3Å
940	D	92.6	Very high	82.1	Confident	42.75 Å²	42.75	47 Å²	47	23%	0.229	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122	175.4	-62.6	-44.7	0	0	0	109.1	I904 K905 H907 K1049	I904-D940 CarbonylContact C-O 3.48Å; I904-D940 WeakPolarHBondContact CA-O 3.4Å; K905-D940 HydrophobicContact CB-CB 4.38Å; K905-D940 PolarHBondContact N-O 3.1Å; K905-D940 PolarHBondContact O-N 3Å; H907-D940 IonicContact CE1-OD2 3.15Å; H907-D940 PolarHBondContact CE1-OD2 2.84Å; D940-K1049 CarbonylContact C-O 3.57Å; D940-K1049 WeakPolarHBondContact CA-O 3.38Å; D940-K1049 VanDerWaalsContact CG-NZ 3.31Å; D940-K1049 VanDerWaalsContact OD1-CB 3.22Å; D940-K1049 WeakPolarHBondContact OD1-CB 3.43Å; D940-K1049 VanDerWaalsContact OD1-CD 3.25Å; D940-K1049 WeakPolarHBondContact OD1-CD 3.47Å; D940-K1049 WeakPolarHBondContact OD1-CE 3.43Å; D940-K1049 VanDerWaalsContact OD1-CG 3.24Å; D940-K1049 WeakPolarHBondContact OD1-CG 3.4Å; D940-K1049 IonicContact OD1-NZ 3Å; D940-K1049 PolarHBondContact OD1-NZ 3.17Å; D940-K1049 IonicContact OD2-NZ 2.62Å; D940-K1049 PolarHBondContact OD2-NZ 3.13Å
941	F	90.3	Very high	84.4	Confident	50.75 Å²	50.75	43.1 Å²	43.1	22%	0.223	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.2	175.4	-69.2	-95	0	0	0	110.5	F880 I904 I939 F944 V1048 K1049 C1050 Y1051	F880-F941 HydrophobicContact CZ-CD1 4.37Å; I904-F941 HydrophobicContact CD1-CD1 4.23Å; I904-F941 HydrophobicContact CD1-CE1 3.81Å; I904-F941 HydrophobicContact CG1-CD1 3.82Å; I904-F941 HydrophobicContact CG1-CE1 3.89Å; I904-F941 HydrophobicContact CG2-CD1 4.36Å; I904-F941 HydrophobicContact CG2-CE1 4.11Å; I904-F941 HydrophobicContact CG2-CZ 4.45Å; I939-F941 HydrophobicContact CB-CE2 4.07Å; I939-F941 HydrophobicContact CG2-CD2 3.95Å; I939-F941 HydrophobicContact CG2-CE2 3.36Å; I939-F941 HydrophobicContact CG2-CZ 3.82Å; F941-F944 HydrophobicContact CB-CD1 4.13Å; F941-F944 HydrophobicContact CB-CE1 4.12Å; F941-F944 HydrophobicContact CD1-CD1 4.31Å; F941-F944 HydrophobicContact CD1-CE1 4.29Å; F941-F944 HydrophobicContact CG-CD1 4.4Å; F941-F944 HydrophobicContact CG-CE1 4.25Å; F941-V1048 HydrophobicContact CD2-CG1 3.6Å; F941-V1048 HydrophobicContact CE2-CG1 3.52Å; F941-V1048 VanDerWaalsContact CE2-CG1 3.46Å; F941-K1049 PolarHBondContact N-O 3.1Å; F941-C1050 HydrophobicContact CB-CB 4.03Å; F941-C1050 WeakPolarHBondContact O-CA 3.29Å; F941-Y1051 PolarHBondContact O-N 3.09Å
942	T	89	Confident	86.3	Confident	37 Å²	37	38.7 Å²	38.7	23%	0.227	20%	0.199	C	C	.	.			trans	-76	-160.7	165.5	68.7	0	0	0	0	110.3	F880 E901 P902 A903 F944 C1050	F880-T942 VanDerWaalsContact CD1-OG1 3.26Å; F880-T942 WeakPolarHBondContact CD1-OG1 3.35Å; F880-T942 VanDerWaalsContact CE1-OG1 3.29Å; F880-T942 WeakPolarHBondContact CE1-OG1 3.35Å; E901-T942 HydrophobicContact CG-CG2 4.23Å; P902-T942 VanDerWaalsContact O-CG2 3.32Å; P902-T942 WeakPolarHBondContact O-CG2 3.4Å; A903-T942 WeakPolarHBondContact CA-OG1 3.35Å; A903-T942 PolarHBondContact O-N 2.88Å; A903-T942 PolarHBondContact O-OG1 3.17Å; T942-F944 PolarHBondContact O-N 3.03Å; T942-C1050 PolarHBondContact O-SG 3.13Å; T942-C1050 VanDerWaalsContact O-SG 3.34Å
943	H	88.5	Confident	87.8	Confident	55 Å²	55	37.7 Å²	37.7	26%	0.255	19%	0.191	S	C	.	.	S	Bend	trans	-75.8	119.9	176.9	177.1	34.3	0	0	0	111.3	F880 P881 S1052	F880-H943 VanDerWaalsContact CD1-O 3.25Å; F880-H943 WeakPolarHBondContact CD1-O 3.39Å; P881-H943 WeakPolarHBondContact CD-O 3.37Å; H943-S1052 VanDerWaalsContact CA-O 3.26Å; H943-S1052 WeakPolarHBondContact CA-O 3.42Å; H943-S1052 WeakPolarHBondContact ND1-CB 3.31Å; H943-S1052 PolarHBondContact ND1-O 3.06Å; H943-S1052 PolarHBondContact ND1-OG 2.89Å
944	F	89.1	Confident	88.9	Confident	27.5 Å²	27.5	36.1 Å²	36.1	12%	0.121	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	157.9	175.2	71.8	-87.4	0	0	0	112.1	F878 H879 F880 F941 T942 V946 C1050 S1052 F1053 E1054	F878-F944 AromaticContact CD2-CD2 3.81Å; F878-F944 HydrophobicContact CD2-CD2 3.81Å; F878-F944 HydrophobicContact CD2-CE2 4.29Å; F878-F944 HydrophobicContact CE2-CB 4.15Å; F878-F944 AromaticContact CE2-CD2 3.38Å; F878-F944 HydrophobicContact CE2-CD2 3.38Å; F878-F944 VanDerWaalsContact CE2-CD2 3.45Å; F878-F944 AromaticContact CE2-CE2 3.87Å; F878-F944 HydrophobicContact CE2-CE2 3.87Å; F878-F944 AromaticContact CE2-CG 3.87Å; F878-F944 HydrophobicContact CE2-CG 3.87Å; F878-F944 HydrophobicContact CZ-CB 4.39Å; F878-F944 HydrophobicContact CZ-CD2 4.36Å; F878-F944 HydrophobicContact CZ-CG 4.42Å; H879-F944 WeakPolarHBondContact O-CA 3.38Å; F880-F944 HydrophobicContact CD1-CB 3.9Å; F880-F944 HydrophobicContact CE1-CB 3.69Å; F880-F944 HydrophobicContact CE2-CB 4.48Å; F880-F944 HydrophobicContact CG-CB 4.4Å; F880-F944 HydrophobicContact CZ-CB 4.03Å; F941-F944 HydrophobicContact CB-CD1 4.13Å; F941-F944 HydrophobicContact CB-CE1 4.12Å; F941-F944 HydrophobicContact CD1-CD1 4.31Å; F941-F944 HydrophobicContact CD1-CE1 4.29Å; F941-F944 HydrophobicContact CG-CD1 4.4Å; F941-F944 HydrophobicContact CG-CE1 4.25Å; T942-F944 PolarHBondContact O-N 3.03Å; F944-V946 HydrophobicContact CD2-CG2 4.04Å; F944-V946 HydrophobicContact CE2-CG2 3.97Å; F944-C1050 HydrophobicContact CE1-CB 4.28Å; F944-C1050 VanDerWaalsContact CE1-SG 3.55Å; F944-C1050 WeakPolarHBondContact CE1-SG 3.17Å; F944-S1052 PolarHBondContact N-O 3.29Å; F944-F1053 AromaticContact CD2-CD2 3.72Å; F944-F1053 HydrophobicContact CD2-CD2 3.72Å; F944-F1053 AromaticContact CD2-CE2 3.97Å; F944-F1053 HydrophobicContact CD2-CE2 3.99Å; F944-F1053 HydrophobicContact CE1-CB 4.36Å; F944-F1053 HydrophobicContact CE1-CD2 4.18Å; F944-F1053 HydrophobicContact CE1-CG 4.44Å; F944-F1053 AromaticContact CE2-CD2 3.19Å; F944-F1053 HydrophobicContact CE2-CD2 3.19Å; F944-F1053 AromaticContact CE2-CE2 3.31Å; F944-F1053 HydrophobicContact CE2-CE2 3.31Å; F944-F1053 HydrophobicContact CE2-CG 4.09Å; F944-F1053 HydrophobicContact CE2-CZ 4.25Å; F944-F1053 HydrophobicContact CG-CD2 4.41Å; F944-F1053 HydrophobicContact CZ-CB 4.29Å; F944-F1053 HydrophobicContact CZ-CD1 4.49Å; F944-F1053 AromaticContact CZ-CD2 3.46Å; F944-F1053 HydrophobicContact CZ-CD2 3.46Å; F944-F1053 VanDerWaalsContact CZ-CD2 3.45Å; F944-F1053 AromaticContact CZ-CE2 3.89Å; F944-F1053 HydrophobicContact CZ-CE2 3.89Å; F944-F1053 AromaticContact CZ-CG 3.88Å; F944-F1053 HydrophobicContact CZ-CG 3.88Å; F944-E1054 PolarHBondContact O-N 3.04Å; F944-E1054 VanDerWaalsContact O-N 3.08Å
945	C	90.7	Very high	89.6	Confident	3.25 Å²	3.25	34.1 Å²	34.1	2%	0.022	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.1	179.1	-159.1	0	0	0	0	110.4	F878 H879 P881 E1054 N1056	F878-C945 WeakPolarHBondContact CA-O 3.43Å; H879-C945 PolarHBondContact N-O 2.98Å; H879-C945 PolarHBondContact O-N 3.07Å; P881-C945 HydrophobicContact CG-CB 4.17Å; C945-E1054 CarbonylContact C-O 3.55Å; C945-E1054 VanDerWaalsContact CA-O 3.29Å; C945-E1054 WeakPolarHBondContact CA-O 3.27Å; C945-E1054 HydrophobicContact CB-CB 4.17Å; C945-E1054 PolarHBondContact SG-OE1 3.22Å; C945-E1054 VanDerWaalsContact SG-OE1 3.41Å; C945-E1054 PolarHBondContact SG-OE2 3.26Å; C945-N1056 PolarHBondContact SG-ND2 3.24Å; C945-N1056 VanDerWaalsContact SG-ND2 3.4Å
946	V	92.7	Very high	89.9	Confident	29.75 Å²	29.75	34.5 Å²	34.5	18%	0.18	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.3	176.8	169.8	0	0	0	0	109.5	L877 F878 F944 L948 F1053 E1054 L1055 N1056	L877-V946 VanDerWaalsContact O-CA 3.28Å; L877-V946 WeakPolarHBondContact O-CA 3.37Å; L877-V946 WeakPolarHBondContact O-CG1 3.07Å; F878-V946 HydrophobicContact CB-CG2 4.41Å; F878-V946 HydrophobicContact CD2-CG2 3.8Å; F944-V946 HydrophobicContact CD2-CG2 4.04Å; F944-V946 HydrophobicContact CE2-CG2 3.97Å; V946-L948 HydrophobicContact CG1-CB 4.3Å; V946-F1053 HydrophobicContact CB-CE2 3.97Å; V946-F1053 HydrophobicContact CB-CZ 4.42Å; V946-F1053 HydrophobicContact CG2-CE2 3.81Å; V946-F1053 HydrophobicContact CG2-CZ 4.43Å; V946-E1054 PolarHBondContact N-O 2.99Å; V946-L1055 HydrophobicContact CB-CD1 4.14Å; V946-L1055 HydrophobicContact CG1-CD1 3.82Å; V946-L1055 CarbonylContact O-C 3.47Å; V946-L1055 WeakPolarHBondContact O-CA 3.31Å; V946-N1056 PolarHBondContact O-N 3.19Å
947	D	91	Very high	89.9	Confident	18 Å²	18	30.9 Å²	30.9	10%	0.096	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.3	170.1	-136.7	30.9	0	0	0	108.7	F875 E876 L877 N1056 R1058 R1104	F875-D947 HydrophobicContact CD2-CB 4.44Å; F875-D947 HydrophobicContact CE1-CB 4.12Å; F875-D947 WeakPolarHBondContact CE1-O 3.38Å; F875-D947 HydrophobicContact CE2-CB 3.7Å; F875-D947 VanDerWaalsContact CE2-CB 3.48Å; F875-D947 WeakPolarHBondContact CE2-OD2 3.39Å; F875-D947 HydrophobicContact CZ-CB 3.6Å; F875-D947 WeakPolarHBondContact CZ-O 3.31Å; E876-D947 VanDerWaalsContact O-CB 3.28Å; E876-D947 WeakPolarHBondContact O-CB 3.33Å; L877-D947 WeakPolarHBondContact CD2-O 3.41Å; L877-D947 PolarHBondContact O-N 3.04Å; D947-N1056 HydrophobicContact CB-CB 4.44Å; D947-N1056 VanDerWaalsContact OD1-CB 3.27Å; D947-N1056 WeakPolarHBondContact OD1-CB 3.38Å; D947-N1056 PolarHBondContact OD1-ND2 3.36Å; D947-R1058 WeakPolarHBondContact OD1-CD 3.38Å; D947-R1058 WeakPolarHBondContact OD1-CG 3.41Å; D947-R1058 IonicContact OD1-CZ 3.31Å; D947-R1058 IonicContact OD1-NE 3.55Å; D947-R1058 PolarHBondContact OD1-NE 3.16Å; D947-R1058 IonicContact OD2-CZ 3.01Å; D947-R1058 VanDerWaalsContact OD2-CZ 3.27Å; D947-R1058 IonicContact OD2-NE 3.22Å; D947-R1058 PolarHBondContact OD2-NE 2.96Å; D947-R1058 IonicContact OD2-NH2 3.46Å; D947-R1058 PolarHBondContact OD2-NH2 3Å; D947-R1104 IonicContact OD1-CZ 3.98Å; D947-R1104 IonicContact OD1-NH1 2.76Å; D947-R1104 IonicContact OD1-NH2 3.79Å; D947-R1104 PolarHBondContact OD1-NH2 3.36Å; D947-R1104 IonicContact OD2-CZ 3.57Å; D947-R1104 IonicContact OD2-NH1 3.57Å; D947-R1104 IonicContact OD2-NH2 2.82Å; D947-R1104 PolarHBondContact OD2-NH2 3.25Å
948	L	91.1	Very high	89.6	Confident	73 Å²	73	30.5 Å²	30.5	38%	0.382	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.3	-174.1	179.5	61	0	0	0	111.1	V946 I950 I952 L1055 N1056 L1057 R1058	V946-L948 HydrophobicContact CG1-CB 4.3Å; L948-I950 HydrophobicContact CG-CG1 4.49Å; L948-I952 HydrophobicContact CD1-CG2 4.33Å; L948-L1055 HydrophobicContact CB-CD1 3.99Å; L948-L1055 HydrophobicContact CD2-CD1 4.35Å; L948-N1056 PolarHBondContact N-O 3.08Å; L948-L1057 HydrophobicContact CD2-CD1 3.98Å; L948-L1057 HydrophobicContact CG-CD1 4.22Å; L948-R1058 VanDerWaalsContact O-CB 3.29Å; L948-R1058 WeakPolarHBondContact O-CB 3.44Å; L948-R1058 PolarHBondContact O-N 3.09Å
949	D	90.2	Very high	89.4	Confident	1.25 Å²	1.25	29.8 Å²	29.8	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.3	169.6	152.3	-5.1	0	0	0	110	F875 S951 I952 R955 R1058 R1104 V1106	F875-D949 HydrophobicContact CE1-CB 3.6Å; F875-D949 HydrophobicContact CZ-CB 3.86Å; D949-S951 PolarHBondContact O-N 3.17Å; D949-S951 WeakPolarHBondContact OD1-CA 3.44Å; D949-S951 VanDerWaalsContact OD1-CB 3.29Å; D949-S951 WeakPolarHBondContact OD1-CB 3.35Å; D949-S951 PolarHBondContact OD1-N 3.14Å; D949-S951 PolarHBondContact OD1-OG 3.05Å; D949-S951 PolarHBondContact OD2-OG 3.28Å; D949-I952 WeakPolarHBondContact O-CB 3.31Å; D949-I952 WeakPolarHBondContact O-CG2 3.34Å; D949-I952 PolarHBondContact O-N 3.36Å; D949-I952 VanDerWaalsContact O-N 3.17Å; D949-I952 PolarHBondContact OD2-N 2.83Å; D949-R955 IonicContact OD1-NH2 3.36Å; D949-R955 PolarHBondContact OD1-NH2 3.32Å; D949-R955 IonicContact OD2-CZ 2.97Å; D949-R955 VanDerWaalsContact OD2-CZ 3.3Å; D949-R955 IonicContact OD2-NH1 3.34Å; D949-R955 PolarHBondContact OD2-NH1 3.13Å; D949-R955 IonicContact OD2-NH2 3.44Å; D949-R955 PolarHBondContact OD2-NH2 3.16Å; D949-R1058 HydrophobicContact CB-CB 4.32Å; D949-R1058 HydrophobicContact CB-CG 4.5Å; D949-R1104 IonicContact OD1-CZ 2.73Å; D949-R1104 IonicContact OD1-NE 3.47Å; D949-R1104 PolarHBondContact OD1-NE 3.34Å; D949-R1104 IonicContact OD1-NH2 3.49Å; D949-R1104 PolarHBondContact OD1-NH2 3.15Å; D949-R1104 WeakPolarHBondContact OD2-CD 3.33Å; D949-R1104 VanDerWaalsContact OD2-CG 3.31Å; D949-R1104 WeakPolarHBondContact OD2-CG 3.44Å; D949-R1104 IonicContact OD2-CZ 3.39Å; D949-R1104 IonicContact OD2-NE 3.24Å; D949-R1104 PolarHBondContact OD2-NE 2.89Å; D949-R1104 IonicContact OD2-NH2 3.46Å; D949-V1106 HydrophobicContact CB-CG1 4.17Å; D949-V1106 VanDerWaalsContact CG-CG1 3.45Å; D949-V1106 WeakPolarHBondContact OD1-CG1 3.41Å; D949-V1106 WeakPolarHBondContact OD2-CG1 3.31Å
950	I	88.2	Confident	89.1	Confident	55.25 Å²	55.25	31.3 Å²	31.3	28%	0.283	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28	-178.6	-58.6	176.5	0	0	0	111.5	L948 I952 M953 L1057 L1363 W1366	L948-I950 HydrophobicContact CG-CG1 4.49Å; I950-I952 PolarHBondContact O-N 2.97Å; I950-I952 VanDerWaalsContact O-N 3.1Å; I950-M953 WeakPolarHBondContact O-CB 3.26Å; I950-M953 WeakPolarHBondContact O-CG 3.32Å; I950-M953 PolarHBondContact O-N 2.98Å; I950-M953 VanDerWaalsContact O-N 3.15Å; I950-L1057 HydrophobicContact CD1-CD1 4.47Å; I950-L1363 HydrophobicContact CD1-CD1 3.6Å; I950-L1363 HydrophobicContact CD1-CD2 3.79Å; I950-L1363 HydrophobicContact CD1-CG 4.5Å; I950-L1363 HydrophobicContact CG1-CD1 4.44Å; I950-W1366 HydrophobicContact CB-CE3 4.44Å; I950-W1366 HydrophobicContact CG2-CD2 4.42Å; I950-W1366 HydrophobicContact CG2-CE3 3.73Å; I950-W1366 HydrophobicContact CG2-CH2 3.99Å; I950-W1366 HydrophobicContact CG2-CZ2 4.45Å; I950-W1366 HydrophobicContact CG2-CZ3 3.49Å; I950-W1366 VanDerWaalsContact CG2-CZ3 3.49Å
951	S	88.5	Confident	88.8	Confident	1.75 Å²	1.75	29.8 Å²	29.8	1%	0.012	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.4	179.7	72.7	0	0	0	0	113.8	D949 M953 D954 R955	D949-S951 PolarHBondContact O-N 3.17Å; D949-S951 WeakPolarHBondContact OD1-CA 3.44Å; D949-S951 VanDerWaalsContact OD1-CB 3.29Å; D949-S951 WeakPolarHBondContact OD1-CB 3.35Å; D949-S951 PolarHBondContact OD1-N 3.14Å; D949-S951 PolarHBondContact OD1-OG 3.05Å; D949-S951 PolarHBondContact OD2-OG 3.28Å; S951-M953 PolarHBondContact O-N 2.99Å; S951-D954 PolarHBondContact O-N 2.97Å; S951-D954 VanDerWaalsContact O-N 3.13Å; S951-R955 VanDerWaalsContact C-NH1 3.3Å; S951-R955 PolarHBondContact O-NH1 2.88Å; S951-R955 VanDerWaalsContact O-NH1 3.09Å; S951-R955 PolarHBondContact OG-NH1 3.17Å; S951-R955 VanDerWaalsContact OG-NH1 3.13Å
952	I	90.2	Very high	88.4	Confident	14 Å²	14	28.2 Å²	28.2	7%	0.072	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-28.9	171.5	-162.5	170.4	0	0	0	112.2	L799 E845 L877 L948 D949 I950 D954 R955 I956	L799-I952 HydrophobicContact CD2-CD1 4.28Å; E845-I952 HydrophobicContact CB-CD1 3.96Å; E845-I952 HydrophobicContact CG-CD1 4.39Å; L877-I952 HydrophobicContact CD1-CD1 3.64Å; L877-I952 HydrophobicContact CD2-CD1 3.89Å; L877-I952 HydrophobicContact CG-CD1 4.4Å; L948-I952 HydrophobicContact CD1-CG2 4.33Å; D949-I952 WeakPolarHBondContact O-CB 3.31Å; D949-I952 WeakPolarHBondContact O-CG2 3.34Å; D949-I952 PolarHBondContact O-N 3.36Å; D949-I952 VanDerWaalsContact O-N 3.17Å; D949-I952 PolarHBondContact OD2-N 2.83Å; I950-I952 PolarHBondContact O-N 2.97Å; I950-I952 VanDerWaalsContact O-N 3.1Å; I952-D954 VanDerWaalsContact C-N 3.27Å; I952-D954 PolarHBondContact O-N 2.96Å; I952-R955 WeakPolarHBondContact O-CA 3.37Å; I952-R955 PolarHBondContact O-N 3.04Å; I952-I956 HydrophobicContact CD1-CG2 4.45Å; I952-I956 HydrophobicContact CG1-CG2 3.97Å; I952-I956 VanDerWaalsContact O-CG1 3.31Å; I952-I956 WeakPolarHBondContact O-CG1 3.3Å; I952-I956 PolarHBondContact O-N 3.15Å
953	M	87.2	Confident	88	Confident	93 Å²	93	33.6 Å²	33.6	46%	0.458	17%	0.165	S	C	.	.	H	α-helix	trans	-56.4	-37.5	176.5	-64.5	-64	103.2	0	0	112.3	I950 S951 R955 I956 H957 T960	I950-M953 WeakPolarHBondContact O-CB 3.26Å; I950-M953 WeakPolarHBondContact O-CG 3.32Å; I950-M953 PolarHBondContact O-N 2.98Å; I950-M953 VanDerWaalsContact O-N 3.15Å; S951-M953 PolarHBondContact O-N 2.99Å; M953-R955 VanDerWaalsContact C-N 3.27Å; M953-R955 PolarHBondContact O-N 2.96Å; M953-I956 HydrophobicContact CE-CD1 3.67Å; M953-I956 HydrophobicContact CE-CG1 4.31Å; M953-I956 HydrophobicContact SD-CD1 4.46Å; M953-H957 PolarHBondContact O-N 3.14Å; M953-H957 VanDerWaalsContact O-N 3.14Å; M953-T960 HydrophobicContact SD-CG2 4.41Å
954	D	88.5	Confident	87.6	Confident	2.5 Å²	2.5	32.3 Å²	32.3	1%	0.013	16%	0.164	C	C	.	.	H	α-helix	trans	-71.4	-26.3	177.9	-70.3	-5.3	0	0	0	112.1	S951 I952 H957 W1101 S1368 L1369 L1370	S951-D954 PolarHBondContact O-N 2.97Å; S951-D954 VanDerWaalsContact O-N 3.13Å; I952-D954 VanDerWaalsContact C-N 3.27Å; I952-D954 PolarHBondContact O-N 2.96Å; D954-H957 PolarHBondContact O-ND1 3.07Å; D954-W1101 HydrophobicContact CB-CB 4.37Å; D954-S1368 WeakPolarHBondContact OD1-CA 3.29Å; D954-S1368 VanDerWaalsContact OD1-CB 3.26Å; D954-S1368 WeakPolarHBondContact OD1-CB 3.43Å; D954-S1368 PolarHBondContact OD1-OG 2.88Å; D954-L1369 VanDerWaalsContact OD2-CB 3.26Å; D954-L1369 WeakPolarHBondContact OD2-CB 3.4Å; D954-L1369 VanDerWaalsContact OD2-CG 3.28Å; D954-L1369 WeakPolarHBondContact OD2-CG 3.44Å; D954-L1369 PolarHBondContact OD2-N 3.43Å; D954-L1370 HydrophobicContact CB-CD1 4.24Å; D954-L1370 HydrophobicContact CB-CG 4.22Å
955	R	88.4	Confident	87.1	Confident	7.5 Å²	7.5	31.9 Å²	31.9	3%	0.028	17%	0.165	C	C	.	.	H	α-helix	trans	-86	-38.1	-179.9	-61.3	-170.7	-63.7	-83.8	8.8	112.5	Y617 E845 D949 S951 I952 M953 H957 W1101 W1102 A1103	Y617-R955 HydrophobicContact CD2-CB 4.24Å; Y617-R955 HydrophobicContact CE2-CB 3.9Å; E845-R955 VanDerWaalsContact CD-NH2 3.3Å; E845-R955 IonicContact OE1-CZ 3.72Å; E845-R955 VanDerWaalsContact OE1-CZ 3.27Å; E845-R955 IonicContact OE1-NE 3.31Å; E845-R955 PolarHBondContact OE1-NE 3.01Å; E845-R955 IonicContact OE1-NH2 2.95Å; E845-R955 PolarHBondContact OE1-NH2 3.12Å; E845-R955 IonicContact OE2-CZ 3.23Å; E845-R955 IonicContact OE2-NE 3.17Å; E845-R955 PolarHBondContact OE2-NE 2.87Å; E845-R955 IonicContact OE2-NH2 3.06Å; E845-R955 PolarHBondContact OE2-NH2 3.29Å; D949-R955 IonicContact OD1-NH2 3.36Å; D949-R955 PolarHBondContact OD1-NH2 3.32Å; D949-R955 IonicContact OD2-CZ 2.97Å; D949-R955 VanDerWaalsContact OD2-CZ 3.3Å; D949-R955 IonicContact OD2-NH1 3.34Å; D949-R955 PolarHBondContact OD2-NH1 3.13Å; D949-R955 IonicContact OD2-NH2 3.44Å; D949-R955 PolarHBondContact OD2-NH2 3.16Å; S951-R955 VanDerWaalsContact C-NH1 3.3Å; S951-R955 PolarHBondContact O-NH1 2.88Å; S951-R955 VanDerWaalsContact O-NH1 3.09Å; S951-R955 PolarHBondContact OG-NH1 3.17Å; S951-R955 VanDerWaalsContact OG-NH1 3.13Å; I952-R955 WeakPolarHBondContact O-CA 3.37Å; I952-R955 PolarHBondContact O-N 3.04Å; M953-R955 VanDerWaalsContact C-N 3.27Å; M953-R955 PolarHBondContact O-N 2.96Å; R955-H957 VanDerWaalsContact C-N 3.28Å; R955-H957 PolarHBondContact O-N 3.02Å; R955-W1101 WeakPolarHBondContact CG-O 3.22Å; R955-W1102 WeakPolarHBondContact CD-O 3.46Å; R955-A1103 PolarHBondContact NH1-O 3.27Å
956	I	89.7	Confident	86.5	Confident	23 Å²	23	32.4 Å²	32.4	12%	0.118	17%	0.17	C	C	.	.	S	Bend	trans	-88.6	6.2	178.3	70.9	169.1	0	0	0	113.9	Y617 L799 I952 M953 R958 I959 T960	Y617-I956 HydrophobicContact CD1-CG2 4.38Å; Y617-I956 HydrophobicContact CE1-CG2 3.7Å; Y617-I956 HydrophobicContact CE2-CG2 4.37Å; L799-I956 HydrophobicContact CD1-CG2 4.05Å; I952-I956 HydrophobicContact CD1-CG2 4.45Å; I952-I956 HydrophobicContact CG1-CG2 3.97Å; I952-I956 VanDerWaalsContact O-CG1 3.31Å; I952-I956 WeakPolarHBondContact O-CG1 3.3Å; I952-I956 PolarHBondContact O-N 3.15Å; M953-I956 HydrophobicContact CE-CD1 3.67Å; M953-I956 HydrophobicContact CE-CG1 4.31Å; M953-I956 HydrophobicContact SD-CD1 4.46Å; I956-R958 VanDerWaalsContact C-N 3.26Å; I956-R958 PolarHBondContact O-N 2.78Å; I956-R958 VanDerWaalsContact O-N 3.1Å; I956-I959 HydrophobicContact CB-CB 4.49Å; I956-I959 HydrophobicContact CB-CD1 4.39Å; I956-I959 HydrophobicContact CG2-CD1 4.5Å; I956-I959 WeakPolarHBondContact O-CA 3.48Å; I956-I959 WeakPolarHBondContact O-CB 3.35Å; I956-I959 PolarHBondContact O-N 2.96Å; I956-T960 HydrophobicContact CD1-CG2 3.77Å; I956-T960 HydrophobicContact CG1-CG2 3.96Å; I956-T960 PolarHBondContact O-N 3.11Å; I956-T960 PolarHBondContact O-OG1 3.5Å
957	H	87.1	Confident	85.8	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.028	18%	0.176	C	C	.	.	H	α-helix	trans	-52.2	-35.5	-169	73.7	-92.9	0	0	0	114	M953 D954 R955 I959 T960 D961 W1101 L1370 R1377	M953-H957 PolarHBondContact O-N 3.14Å; M953-H957 VanDerWaalsContact O-N 3.14Å; D954-H957 PolarHBondContact O-ND1 3.07Å; R955-H957 VanDerWaalsContact C-N 3.28Å; R955-H957 PolarHBondContact O-N 3.02Å; H957-I959 VanDerWaalsContact C-N 3.32Å; H957-I959 PolarHBondContact O-N 3.15Å; H957-T960 VanDerWaalsContact CA-OG1 3.27Å; H957-T960 WeakPolarHBondContact CA-OG1 3.36Å; H957-T960 PolarHBondContact O-N 3.25Å; H957-T960 PolarHBondContact O-OG1 3.22Å; H957-D961 IonicContact CD2-OD2 3.06Å; H957-D961 WeakPolarHBondContact O-CB 3.39Å; H957-D961 VanDerWaalsContact O-CG 3.26Å; H957-D961 PolarHBondContact O-N 3.05Å; H957-W1101 AromaticContact CE1-CZ3 3.78Å; H957-L1370 HydrophobicContact CB-CD1 3.4Å; H957-L1370 VanDerWaalsContact CB-CD1 3.43Å; H957-L1370 VanDerWaalsContact CG-CD1 3.45Å; H957-R1377 PolarHBondContact NE2-O 2.82Å
958	R	83.7	Confident	85	Confident	27 Å²	27	35.8 Å²	35.8	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-36.3	177.4	-62	-165.7	-174.7	155.4	3.5	112.8	P437 Y617 E618 D619 I956 A962 L1380 Y1402	P437-R958 HydrophobicContact CB-CB 3.72Å; P437-R958 HydrophobicContact CG-CB 3.84Å; Y617-R958 PolarHBondContact O-NH1 2.98Å; E618-R958 IonicContact OE1-CZ 2.92Å; E618-R958 IonicContact OE1-NH1 3.1Å; E618-R958 PolarHBondContact OE1-NH1 3.16Å; E618-R958 IonicContact OE1-NH2 3.07Å; E618-R958 PolarHBondContact OE1-NH2 3.06Å; D619-R958 IonicContact OD2-NH1 2.96Å; D619-R958 PolarHBondContact OD2-NH1 2.72Å; I956-R958 VanDerWaalsContact C-N 3.26Å; I956-R958 PolarHBondContact O-N 2.78Å; I956-R958 VanDerWaalsContact O-N 3.1Å; R958-A962 WeakPolarHBondContact O-CB 3.32Å; R958-A962 PolarHBondContact O-N 3.09Å; R958-L1380 PolarHBondContact NH2-O 3.17Å; R958-Y1402 VanDerWaalsContact CZ-OH 3.29Å; R958-Y1402 PolarHBondContact NE-OH 3.5Å
959	I	87.5	Confident	84.2	Confident	32 Å²	32	33.5 Å²	33.5	16%	0.164	18%	0.179	C	C	.	.	H	α-helix	trans	-70.3	-44.9	177.4	-57.6	172.7	0	0	0	109.6	P437 F440 A615 Y617 I956 H957 A962 W963	P437-I959 HydrophobicContact CB-CG1 4.36Å; P437-I959 HydrophobicContact CG-CG1 4.05Å; F440-I959 HydrophobicContact CD2-CG2 4.17Å; F440-I959 HydrophobicContact CE2-CG1 4.41Å; F440-I959 HydrophobicContact CE2-CG2 4.04Å; F440-I959 HydrophobicContact CG-CG2 4.37Å; F440-I959 HydrophobicContact CZ-CG2 4.34Å; A615-I959 HydrophobicContact CB-CD1 4.18Å; Y617-I959 HydrophobicContact CD1-CD1 4.17Å; Y617-I959 HydrophobicContact CE1-CD1 4.32Å; I956-I959 HydrophobicContact CB-CB 4.49Å; I956-I959 HydrophobicContact CB-CD1 4.39Å; I956-I959 HydrophobicContact CG2-CD1 4.5Å; I956-I959 WeakPolarHBondContact O-CA 3.48Å; I956-I959 WeakPolarHBondContact O-CB 3.35Å; I956-I959 PolarHBondContact O-N 2.96Å; H957-I959 VanDerWaalsContact C-N 3.32Å; H957-I959 PolarHBondContact O-N 3.15Å; I959-A962 PolarHBondContact O-N 3.36Å; I959-W963 WeakPolarHBondContact O-CB 3.41Å; I959-W963 PolarHBondContact O-N 3.11Å
960	T	87.6	Confident	83.3	Confident	56 Å²	56	35.5 Å²	35.5	34%	0.344	19%	0.192	S	C	.	.	H	α-helix	trans	-68.9	-40.1	179.5	52.2	0	0	0	0	112.2	M953 I956 H957 W963 A964	M953-T960 HydrophobicContact SD-CG2 4.41Å; I956-T960 HydrophobicContact CD1-CG2 3.77Å; I956-T960 HydrophobicContact CG1-CG2 3.96Å; I956-T960 PolarHBondContact O-N 3.11Å; I956-T960 PolarHBondContact O-OG1 3.5Å; H957-T960 VanDerWaalsContact CA-OG1 3.27Å; H957-T960 WeakPolarHBondContact CA-OG1 3.36Å; H957-T960 PolarHBondContact O-N 3.25Å; H957-T960 PolarHBondContact O-OG1 3.22Å; T960-W963 PolarHBondContact O-N 3.06Å; T960-A964 VanDerWaalsContact O-CB 3.29Å; T960-A964 WeakPolarHBondContact O-CB 3.41Å; T960-A964 PolarHBondContact O-N 3.18Å
961	D	84.8	Confident	82.4	Confident	13 Å²	13	36.5 Å²	36.5	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-43.5	174.2	-75.4	-30.4	0	0	0	111.4	H957 W963 A964 A965 R1374 R1377	H957-D961 IonicContact CD2-OD2 3.06Å; H957-D961 WeakPolarHBondContact O-CB 3.39Å; H957-D961 VanDerWaalsContact O-CG 3.26Å; H957-D961 PolarHBondContact O-N 3.05Å; D961-W963 VanDerWaalsContact C-N 3.27Å; D961-W963 PolarHBondContact O-N 2.93Å; D961-A964 WeakPolarHBondContact O-CA 3.34Å; D961-A964 WeakPolarHBondContact O-CB 3.24Å; D961-A964 PolarHBondContact O-N 3.03Å; D961-A965 VanDerWaalsContact O-CB 3.29Å; D961-A965 WeakPolarHBondContact O-CB 3.36Å; D961-A965 PolarHBondContact O-N 3.15Å; D961-R1374 VanDerWaalsContact C-NH2 3.26Å; D961-R1374 HydrophobicContact CB-CG 4.18Å; D961-R1374 PolarHBondContact O-NH1 2.6Å; D961-R1374 PolarHBondContact O-NH2 2.85Å; D961-R1374 VanDerWaalsContact OD1-CD 3.29Å; D961-R1374 WeakPolarHBondContact OD1-CD 3.49Å; D961-R1374 WeakPolarHBondContact OD1-CG 3.27Å; D961-R1374 IonicContact OD1-NE 3.61Å; D961-R1374 PolarHBondContact OD1-NE 2.89Å; D961-R1374 VanDerWaalsContact OD1-NE 3.17Å; D961-R1377 IonicContact OD1-CZ 3.66Å; D961-R1377 IonicContact OD1-NE 3.46Å; D961-R1377 PolarHBondContact OD1-NE 3.04Å; D961-R1377 IonicContact OD1-NH2 3.32Å; D961-R1377 PolarHBondContact OD1-NH2 3.04Å; D961-R1377 IonicContact OD2-CZ 3.49Å; D961-R1377 IonicContact OD2-NE 3.54Å; D961-R1377 PolarHBondContact OD2-NE 3.22Å; D961-R1377 IonicContact OD2-NH2 3.01Å; D961-R1377 PolarHBondContact OD2-NH2 3.03Å
962	A	82.8	Confident	81.3	Confident	16.75 Å²	16.75	43.5 Å²	43.5	14%	0.138	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-43.4	174.9	0	0	0	0	0	112.2	P437 R958 I959 A965 A966 F1404	P437-A962 HydrophobicContact CB-CB 4.37Å; P437-A962 WeakPolarHBondContact O-CB 3.33Å; R958-A962 WeakPolarHBondContact O-CB 3.32Å; R958-A962 PolarHBondContact O-N 3.09Å; I959-A962 PolarHBondContact O-N 3.36Å; A962-A965 PolarHBondContact O-N 3.04Å; A962-A966 VanDerWaalsContact O-CB 3.3Å; A962-A966 WeakPolarHBondContact O-CB 3.35Å; A962-A966 PolarHBondContact O-N 3.11Å; A962-A966 VanDerWaalsContact O-N 3.09Å; A962-F1404 HydrophobicContact CB-CE2 3.68Å; A962-F1404 HydrophobicContact CB-CZ 3.77Å
963	W	80.6	Confident	79.8	Confident	150 Å²	150	46.2 Å²	46.2	57%	0.568	24%	0.244	S	C	*	.	H	α-helix	trans	-63.5	-44	175.1	-171.6	-80.3	0	0	0	112	F440 H444 I959 T960 D961 A966 S967	F440-W963 HydrophobicContact CD1-CE3 4.4Å; F440-W963 HydrophobicContact CD1-CZ3 4.46Å; H444-W963 AromaticContact CD2-CE2 3.85Å; H444-W963 AromaticContact CD2-CH2 3.99Å; H444-W963 AromaticContact CD2-CZ2 3.68Å; I959-W963 WeakPolarHBondContact O-CB 3.41Å; I959-W963 PolarHBondContact O-N 3.11Å; T960-W963 PolarHBondContact O-N 3.06Å; D961-W963 VanDerWaalsContact C-N 3.27Å; D961-W963 PolarHBondContact O-N 2.93Å; W963-A966 PolarHBondContact O-N 2.8Å; W963-S967 PolarHBondContact NE1-OG 2.83Å; W963-S967 WeakPolarHBondContact O-CB 3.3Å; W963-S967 PolarHBondContact O-N 3.09Å; W963-S967 PolarHBondContact O-OG 3.07Å
964	A	80.9	Confident	78	Confident	28.5 Å²	28.5	44.5 Å²	44.5	24%	0.236	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-44.7	178.6	0	0	0	0	0	112	T960 D961 A966 S967 E968 R1374	T960-A964 VanDerWaalsContact O-CB 3.29Å; T960-A964 WeakPolarHBondContact O-CB 3.41Å; T960-A964 PolarHBondContact O-N 3.18Å; D961-A964 WeakPolarHBondContact O-CA 3.34Å; D961-A964 WeakPolarHBondContact O-CB 3.24Å; D961-A964 PolarHBondContact O-N 3.03Å; A964-A966 VanDerWaalsContact C-N 3.29Å; A964-A966 PolarHBondContact O-N 2.76Å; A964-S967 PolarHBondContact O-N 3.18Å; A964-E968 WeakPolarHBondContact O-CB 3.29Å; A964-E968 PolarHBondContact O-N 3.03Å; A964-R1374 VanDerWaalsContact CB-NH2 3.33Å
965	A	78.3	Confident	75.8	Confident	18.5 Å²	18.5	49.6 Å²	49.6	15%	0.153	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-36.8	175	0	0	0	0	0	112.2	Y441 D961 A962 S967 E968 A969 R1374 F1404 L1405	Y441-A965 HydrophobicContact CD2-CB 4.07Å; Y441-A965 HydrophobicContact CE2-CB 3.89Å; D961-A965 VanDerWaalsContact O-CB 3.29Å; D961-A965 WeakPolarHBondContact O-CB 3.36Å; D961-A965 PolarHBondContact O-N 3.15Å; A962-A965 PolarHBondContact O-N 3.04Å; A965-S967 VanDerWaalsContact C-N 3.31Å; A965-E968 PolarHBondContact O-N 3.06Å; A965-A969 WeakPolarHBondContact O-CB 3.33Å; A965-A969 PolarHBondContact O-N 3.19Å; A965-R1374 VanDerWaalsContact CB-NH1 3.32Å; A965-R1374 VanDerWaalsContact N-NH1 3.12Å; A965-F1404 HydrophobicContact CB-CD2 4.16Å; A965-L1405 HydrophobicContact CB-CD2 4Å
966	A	78.5	Confident	73.3	Confident	13.5 Å²	13.5	54.1 Å²	54.1	11%	0.112	30%	0.298	C	S	.	.	H	α-helix	trans	-69.8	-37.7	175.9	0	0	0	0	0	112.1	Y441 H444 A962 W963 A964 E968 A969 V970	Y441-A966 HydrophobicContact CD2-CB 3.72Å; Y441-A966 HydrophobicContact CE2-CB 4.3Å; Y441-A966 HydrophobicContact CG-CB 4.28Å; H444-A966 HydrophobicContact CB-CB 3.77Å; H444-A966 PolarHBondContact CE1-O 3.08Å; H444-A966 WeakPolarHBondContact ND1-CB 3.32Å; H444-A966 PolarHBondContact ND1-O 3.13Å; H444-A966 VanDerWaalsContact ND1-O 3.13Å; A962-A966 VanDerWaalsContact O-CB 3.3Å; A962-A966 WeakPolarHBondContact O-CB 3.35Å; A962-A966 PolarHBondContact O-N 3.11Å; A962-A966 VanDerWaalsContact O-N 3.09Å; W963-A966 PolarHBondContact O-N 2.8Å; A964-A966 VanDerWaalsContact C-N 3.29Å; A964-A966 PolarHBondContact O-N 2.76Å; A966-E968 VanDerWaalsContact C-N 3.34Å; A966-A969 PolarHBondContact O-N 3.15Å; A966-V970 VanDerWaalsContact O-CB 3.28Å; A966-V970 WeakPolarHBondContact O-CB 3.36Å; A966-V970 VanDerWaalsContact O-CG2 3.26Å; A966-V970 WeakPolarHBondContact O-CG2 3.41Å; A966-V970 PolarHBondContact O-N 3.11Å
967	S	78	Confident	70.6	Confident	45 Å²	45	61.9 Å²	61.9	32%	0.315	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-43.2	173.2	-80.8	0	0	0	0	111.3	W963 A964 A965 V970 S971	W963-S967 PolarHBondContact NE1-OG 2.83Å; W963-S967 WeakPolarHBondContact O-CB 3.3Å; W963-S967 PolarHBondContact O-N 3.09Å; W963-S967 PolarHBondContact O-OG 3.07Å; A964-S967 PolarHBondContact O-N 3.18Å; A965-S967 VanDerWaalsContact C-N 3.31Å; S967-V970 PolarHBondContact O-N 2.83Å; S967-S971 WeakPolarHBondContact O-CB 3.41Å; S967-S971 PolarHBondContact O-N 3.14Å; S967-S971 PolarHBondContact O-OG 3.33Å
968	E	74.1	Confident	68	Low	75 Å²	75	66.6 Å²	66.6	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-42.5	175.5	-164.9	-172	158.2	0	0	111.9	A964 A965 A966 V970 S971 R972 L1445	A964-E968 WeakPolarHBondContact O-CB 3.29Å; A964-E968 PolarHBondContact O-N 3.03Å; A965-E968 PolarHBondContact O-N 3.06Å; A966-E968 VanDerWaalsContact C-N 3.34Å; E968-V970 VanDerWaalsContact C-N 3.33Å; E968-V970 PolarHBondContact O-N 3.31Å; E968-S971 VanDerWaalsContact CA-OG 3.28Å; E968-S971 WeakPolarHBondContact CA-OG 3.08Å; E968-S971 PolarHBondContact O-N 3.16Å; E968-S971 VanDerWaalsContact O-N 3.14Å; E968-S971 PolarHBondContact O-OG 3.19Å; E968-S971 VanDerWaalsContact O-OG 3.06Å; E968-R972 WeakPolarHBondContact O-CB 3.24Å; E968-R972 WeakPolarHBondContact O-CD 3.44Å; E968-R972 VanDerWaalsContact O-CG 3.24Å; E968-R972 WeakPolarHBondContact O-CG 3.28Å; E968-R972 PolarHBondContact O-N 3.15Å; E968-R972 IonicContact OE1-CZ 3.1Å; E968-R972 VanDerWaalsContact OE1-CZ 3.25Å; E968-R972 IonicContact OE1-NE 2.99Å; E968-R972 IonicContact OE1-NH1 3.95Å; E968-R972 PolarHBondContact OE1-NH1 3.31Å; E968-R972 IonicContact OE1-NH2 3.33Å; E968-R972 PolarHBondContact OE1-NH2 3.23Å; E968-R972 IonicContact OE2-NH2 3.54Å; E968-L1445 WeakPolarHBondContact OE1-CD1 3.22Å
969	A	73.3	Confident	65.7	Low	23.5 Å²	23.5	68.8 Å²	68.8	19%	0.194	38%	0.377	C	S	.	.	H	α-helix	trans	-67.7	-39.6	176.9	0	0	0	0	0	112.5	L221 M445 A965 A966 S971 R972 L973	L221-A969 HydrophobicContact CD2-CB 4.34Å; M445-A969 HydrophobicContact CE-CB 4.33Å; M445-A969 HydrophobicContact SD-CB 3.54Å; M445-A969 WeakPolarHBondContact SD-CB 3.35Å; A965-A969 WeakPolarHBondContact O-CB 3.33Å; A965-A969 PolarHBondContact O-N 3.19Å; A966-A969 PolarHBondContact O-N 3.15Å; A969-S971 VanDerWaalsContact C-N 3.28Å; A969-S971 PolarHBondContact O-N 2.77Å; A969-R972 WeakPolarHBondContact O-CB 3.46Å; A969-R972 PolarHBondContact O-N 3.23Å; A969-L973 WeakPolarHBondContact O-CG 3.34Å; A969-L973 PolarHBondContact O-N 2.93Å
970	V	72.3	Confident	63.2	Low	44 Å²	44	72.1 Å²	72.1	27%	0.267	40%	0.395	S	S	.	.	H	α-helix	trans	-68.5	-38.2	175.3	170.6	0	0	0	0	111.7	M445 A966 S967 E968 R972 L973 S974	M445-V970 HydrophobicContact SD-CG2 3.83Å; A966-V970 VanDerWaalsContact O-CB 3.28Å; A966-V970 WeakPolarHBondContact O-CB 3.36Å; A966-V970 VanDerWaalsContact O-CG2 3.26Å; A966-V970 WeakPolarHBondContact O-CG2 3.41Å; A966-V970 PolarHBondContact O-N 3.11Å; S967-V970 PolarHBondContact O-N 2.83Å; E968-V970 VanDerWaalsContact C-N 3.33Å; E968-V970 PolarHBondContact O-N 3.31Å; V970-R972 VanDerWaalsContact C-N 3.29Å; V970-R972 PolarHBondContact O-N 2.98Å; V970-L973 WeakPolarHBondContact O-CB 3.41Å; V970-L973 PolarHBondContact O-N 3.16Å; V970-L973 VanDerWaalsContact O-N 3.07Å; V970-S974 WeakPolarHBondContact O-CB 3.43Å; V970-S974 PolarHBondContact O-N 2.95Å; V970-S974 PolarHBondContact O-OG 3.11Å
971	S	68.1	Low	60.7	Low	75.5 Å²	75.5	76.8 Å²	76.8	53%	0.528	41%	0.411	S	S	.	.	H	α-helix	trans	-64.5	-27.7	175.1	68.1	0	0	0	0	113	S967 E968 A969 L973 S974	S967-S971 WeakPolarHBondContact O-CB 3.41Å; S967-S971 PolarHBondContact O-N 3.14Å; S967-S971 PolarHBondContact O-OG 3.33Å; E968-S971 VanDerWaalsContact CA-OG 3.28Å; E968-S971 WeakPolarHBondContact CA-OG 3.08Å; E968-S971 PolarHBondContact O-N 3.16Å; E968-S971 VanDerWaalsContact O-N 3.14Å; E968-S971 PolarHBondContact O-OG 3.19Å; E968-S971 VanDerWaalsContact O-OG 3.06Å; A969-S971 VanDerWaalsContact C-N 3.28Å; A969-S971 PolarHBondContact O-N 2.77Å; S971-L973 VanDerWaalsContact C-N 3.31Å; S971-L973 PolarHBondContact O-N 2.87Å; S971-S974 PolarHBondContact O-N 3.02Å
972	R	65.6	Low	58.2	Low	150.25 Å²	150.25	80.9 Å²	80.9	57%	0.567	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.8	172.7	-69.2	174.7	-176.2	175.9	1.9	114	E968 A969 V970 S974	E968-R972 WeakPolarHBondContact O-CB 3.24Å; E968-R972 WeakPolarHBondContact O-CD 3.44Å; E968-R972 VanDerWaalsContact O-CG 3.24Å; E968-R972 WeakPolarHBondContact O-CG 3.28Å; E968-R972 PolarHBondContact O-N 3.15Å; E968-R972 IonicContact OE1-CZ 3.1Å; E968-R972 VanDerWaalsContact OE1-CZ 3.25Å; E968-R972 IonicContact OE1-NE 2.99Å; E968-R972 IonicContact OE1-NH1 3.95Å; E968-R972 PolarHBondContact OE1-NH1 3.31Å; E968-R972 IonicContact OE1-NH2 3.33Å; E968-R972 PolarHBondContact OE1-NH2 3.23Å; E968-R972 IonicContact OE2-NH2 3.54Å; A969-R972 WeakPolarHBondContact O-CB 3.46Å; A969-R972 PolarHBondContact O-N 3.23Å; V970-R972 VanDerWaalsContact C-N 3.29Å; V970-R972 PolarHBondContact O-N 2.98Å; R972-S974 PolarHBondContact O-N 3.13Å
973	L	59.8	Low	55.9	Low	70 Å²	70	86.3 Å²	86.3	37%	0.366	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-25	176.6	-69.1	173.5	0	0	0	112.8	M445 Q449 H452 A969 V970 S971 P975	M445-L973 HydrophobicContact CE-CD1 3.95Å; M445-L973 HydrophobicContact CE-CD2 3.69Å; M445-L973 HydrophobicContact CE-CG 3.84Å; Q449-L973 HydrophobicContact CB-CD1 4.2Å; Q449-L973 HydrophobicContact CG-CD1 3.49Å; Q449-L973 VanDerWaalsContact CG-CD1 3.49Å; H452-L973 PolarHBondContact CD2-O 2.9Å; H452-L973 VanDerWaalsContact CD2-O 3.23Å; H452-L973 PolarHBondContact NE2-O 3.03Å; A969-L973 WeakPolarHBondContact O-CG 3.34Å; A969-L973 PolarHBondContact O-N 2.93Å; V970-L973 WeakPolarHBondContact O-CB 3.41Å; V970-L973 PolarHBondContact O-N 3.16Å; V970-L973 VanDerWaalsContact O-N 3.07Å; S971-L973 VanDerWaalsContact C-N 3.31Å; S971-L973 PolarHBondContact O-N 2.87Å; L973-P975 WeakPolarHBondContact O-CD 3.28Å
974	S	48.6	Very low	53.7	Low	56 Å²	56	87.4 Å²	87.4	39%	0.392	47%	0.466	S	S	.	.			trans	-68	129.4	-177.8	-65.1	0	0	0	0	112.2	V970 S971 R972 L976	V970-S974 WeakPolarHBondContact O-CB 3.43Å; V970-S974 PolarHBondContact O-N 2.95Å; V970-S974 PolarHBondContact O-OG 3.11Å; S971-S974 PolarHBondContact O-N 3.02Å; R972-S974 PolarHBondContact O-N 3.13Å; S974-L976 PolarHBondContact O-N 2.88Å
975	P	42.3	Very low	51.4	Low	109.75 Å²	109.75	90.3 Å²	90.3	71%	0.713	49%	0.49	S	S	*	.			trans	-70.6	19.5	-176.2	5.4	-2.7	0	0	0	114.2	L973 R977	L973-P975 WeakPolarHBondContact O-CD 3.28Å; P975-R977 PolarHBondContact O-N 3.47Å
976	L	35	Very low	49.1	Very low	102.5 Å²	102.5	96.5 Å²	96.5	54%	0.537	52%	0.516	S	S	.	.	S	Bend	trans	-84.3	122.8	-178.9	-71.3	166.3	0	0	0	109.6	S974 D980 F981 H984	S974-L976 PolarHBondContact O-N 2.88Å; L976-D980 HydrophobicContact CB-CB 4.31Å; L976-D980 HydrophobicContact CD2-CB 3.79Å; L976-F981 HydrophobicContact CB-CD2 4.06Å; L976-F981 HydrophobicContact CB-CE2 3.87Å; L976-F981 HydrophobicContact CD1-CE2 4Å; L976-F981 HydrophobicContact CG-CE2 4.43Å; L976-H984 HydrophobicContact CD2-CB 4.36Å
977	R	33	Very low	46.8	Very low	187.75 Å²	187.75	107.3 Å²	107.3	71%	0.708	55%	0.553	S	S	*	*			trans	-62.6	146.5	177	-73.6	-178.5	174.3	171.8	-1.6	109.9	P975 S979 D980 Y1447	P975-R977 PolarHBondContact O-N 3.47Å; R977-S979 VanDerWaalsContact CB-OG 3.25Å; R977-S979 WeakPolarHBondContact CB-OG 3.35Å; R977-S979 PolarHBondContact O-N 3.13Å; R977-D980 PolarHBondContact N-OD2 2.88Å; R977-D980 VanDerWaalsContact N-OD2 3.09Å; R977-D980 WeakPolarHBondContact O-CB 3.1Å; R977-D980 PolarHBondContact O-N 3.12Å; R977-D980 VanDerWaalsContact O-N 3.11Å; R977-Y1447 PolarHBondContact NH2-OH 3.21Å
978	P	34.4	Very low	44.7	Very low	103.75 Å²	103.75	110.1 Å²	110.1	67%	0.674	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-57.4	-7.2	175.8	-26.7	35	0	0	0	115.8	D980 F981 N982	P978-D980 VanDerWaalsContact C-N 3.31Å; P978-D980 PolarHBondContact O-N 3Å; P978-F981 PolarHBondContact O-N 3.35Å; P978-N982 WeakPolarHBondContact CB-ND2 3.41Å; P978-N982 WeakPolarHBondContact O-CB 3.03Å; P978-N982 PolarHBondContact O-N 2.86Å; P978-N982 PolarHBondContact O-OD1 2.82Å; P978-N982 VanDerWaalsContact O-OD1 3.09Å
979	S	34.7	Very low	42.6	Very low	74 Å²	74	112.7 Å²	112.7	52%	0.517	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-69	-23.8	175.1	49.6	0	0	0	0	114.5	R977	R977-S979 VanDerWaalsContact CB-OG 3.25Å; R977-S979 WeakPolarHBondContact CB-OG 3.35Å; R977-S979 PolarHBondContact O-N 3.13Å
980	D	34.8	Very low	40.5	Very low	100.5 Å²	100.5	117.8 Å²	117.8	54%	0.537	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-102.1	-3.6	-162.9	-59.6	4.4	0	0	0	112.9	L976 R977 P978 N982 H983	L976-D980 HydrophobicContact CB-CB 4.31Å; L976-D980 HydrophobicContact CD2-CB 3.79Å; R977-D980 PolarHBondContact N-OD2 2.88Å; R977-D980 VanDerWaalsContact N-OD2 3.09Å; R977-D980 WeakPolarHBondContact O-CB 3.1Å; R977-D980 PolarHBondContact O-N 3.12Å; R977-D980 VanDerWaalsContact O-N 3.11Å; P978-D980 VanDerWaalsContact C-N 3.31Å; P978-D980 PolarHBondContact O-N 3Å; D980-N982 PolarHBondContact O-N 3.47Å; D980-H983 PolarHBondContact O-N 3.19Å; D980-H983 VanDerWaalsContact O-N 3.16Å
981	F	35	Very low	38.6	Very low	155.5 Å²	155.5	122.2 Å²	122.2	68%	0.682	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-0.4	178.1	-84.5	-79.8	0	0	0	114.7	L976 P978 H983	L976-F981 HydrophobicContact CB-CD2 4.06Å; L976-F981 HydrophobicContact CB-CE2 3.87Å; L976-F981 HydrophobicContact CD1-CE2 4Å; L976-F981 HydrophobicContact CG-CE2 4.43Å; P978-F981 PolarHBondContact O-N 3.35Å; F981-H983 VanDerWaalsContact C-N 3.35Å; F981-H983 PolarHBondContact O-N 2.93Å
982	N	33	Very low	37.1	Very low	98.75 Å²	98.75	124.7 Å²	124.7	53%	0.528	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	21.4	179.5	-79.6	-13.2	0	0	0	114.9	P978 D980	P978-N982 WeakPolarHBondContact CB-ND2 3.41Å; P978-N982 WeakPolarHBondContact O-CB 3.03Å; P978-N982 PolarHBondContact O-N 2.86Å; P978-N982 PolarHBondContact O-OD1 2.82Å; P978-N982 VanDerWaalsContact O-OD1 3.09Å; D980-N982 PolarHBondContact O-N 3.47Å
983	H	33.8	Very low	35.5	Very low	130.75 Å²	130.75	124.5 Å²	124.5	61%	0.605	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	55.9	176.5	-70.5	-37.1	0	0	0	113.4	D980 F981 A985 Q1041 Q1164	D980-H983 PolarHBondContact O-N 3.19Å; D980-H983 VanDerWaalsContact O-N 3.16Å; F981-H983 VanDerWaalsContact C-N 3.35Å; F981-H983 PolarHBondContact O-N 2.93Å; H983-A985 PolarHBondContact O-N 3.35Å; H983-Q1041 PolarHBondContact CE1-NE2 3.05Å; H983-Q1164 PolarHBondContact CE1-NE2 3.17Å; H983-Q1164 VanDerWaalsContact CE1-NE2 3.32Å
984	H	34.5	Very low	34.2	Very low	172.75 Å²	172.75	127.7 Å²	127.7	80%	0.8	67%	0.673	S	S	*	*	S	Bend	trans	-137.8	55	176.7	-69	-71.4	0	0	0	116.1	L976	L976-H984 HydrophobicContact CD2-CB 4.36Å
985	A	31.5	Very low	33.4	Very low	89 Å²	89	132.5 Å²	132.5	74%	0.736	69%	0.694	S	S	*	*			trans	-98.7	36	167.9	0	0	0	0	0	115.4	H983 W987	H983-A985 PolarHBondContact O-N 3.35Å; A985-W987 VanDerWaalsContact C-N 3.31Å; A985-W987 PolarHBondContact O-N 3.36Å
986	E	31.6	Very low	33	Very low	149.75 Å²	149.75	134.6 Å²	134.6	70%	0.7	70%	0.698	S	S	*	*			trans	-113.1	65.5	170.6	-118.6	174.9	-160.4	0	0	111.2	C988 S1212	E986-C988 VanDerWaalsContact C-N 3.3Å; E986-C988 PolarHBondContact O-N 3Å; E986-C988 VanDerWaalsContact O-N 3.13Å; E986-S1212 PolarHBondContact OE2-OG 2.93Å
987	W	30.6	Very low	32.8	Very low	238.25 Å²	238.25	135.7 Å²	135.7	90%	0.902	71%	0.711	S	S	*	*			trans	-114.2	35.3	177.8	-138.5	16.5	0	0	0	112.5	P222 A985	P222-W987 HydrophobicContact CB-CH2 4.43Å; P222-W987 HydrophobicContact CB-CZ3 4.19Å; P222-W987 HydrophobicContact CG-CH2 3.72Å; P222-W987 HydrophobicContact CG-CZ2 4.24Å; P222-W987 HydrophobicContact CG-CZ3 3.94Å; P222-W987 VanDerWaalsContact O-CZ3 3.25Å; P222-W987 WeakPolarHBondContact O-CZ3 3.45Å; A985-W987 VanDerWaalsContact C-N 3.31Å; A985-W987 PolarHBondContact O-N 3.36Å
988	C	32	Very low	32.8	Very low	104 Å²	104	129.8 Å²	129.8	70%	0.703	71%	0.709	S	S	*	*	S	Bend	trans	-140.5	96.2	173.6	-81.8	0	0	0	0	111.6	E986 R1374	E986-C988 VanDerWaalsContact C-N 3.3Å; E986-C988 PolarHBondContact O-N 3Å; E986-C988 VanDerWaalsContact O-N 3.13Å; C988-R1374 PolarHBondContact O-NH2 3.36Å
989	D	30	Very low	32.7	Very low	129.75 Å²	129.75	131.2 Å²	131.2	69%	0.694	72%	0.716	S	S	*	*			trans	128.1	61	158.9	-76.5	-28.2	0	0	0	116.5	D991 R1374	D989-D991 VanDerWaalsContact C-N 3.31Å; D989-D991 PolarHBondContact O-N 3.42Å; D989-R1374 IonicContact OD1-NH2 2.75Å; D989-R1374 IonicContact OD2-CZ 3.66Å; D989-R1374 IonicContact OD2-NH1 2.74Å; D989-R1374 IonicContact OD2-NH2 3.18Å; D989-R1374 PolarHBondContact OD2-NH2 2.82Å
990	T	30.4	Very low	32.6	Very low	130.25 Å²	130.25	135.8 Å²	135.8	80%	0.799	73%	0.731	S	S	*	*	S	Bend	trans	-111.7	71.1	156	48.7	0	0	0	0	111.3
991	D	32.7	Very low	32.4	Very low	137 Å²	137	139.9 Å²	139.9	73%	0.733	74%	0.744	S	S	*	*	S	Bend	trans	-160.3	4.9	159.6	-88.7	-20.6	0	0	0	113.3	D989 N993	D989-D991 VanDerWaalsContact C-N 3.31Å; D989-D991 PolarHBondContact O-N 3.42Å; D991-N993 PolarHBondContact O-N 3.26Å
992	I	36.3	Very low	32.2	Very low	129 Å²	129	138.5 Å²	138.5	66%	0.662	75%	0.754	S	S	*	*	S	Bend	trans	-104.3	31.8	179.9	-59.6	177.2	0	0	0	111.1	N994	I992-N994 PolarHBondContact O-N 3.18Å
993	N	32.3	Very low	32.1	Very low	145.75 Å²	145.75	137.2 Å²	137.2	78%	0.779	76%	0.763	S	S	*	*			trans	-144.4	81.3	166.5	-84.3	-36.2	0	0	0	111.6	D991	D991-N993 PolarHBondContact O-N 3.26Å
994	N	31.2	Very low	32	Very low	136.75 Å²	136.75	138.2 Å²	138.2	73%	0.731	77%	0.773	S	S	*	*	S	Bend	trans	-162.6	45.7	157.6	-95.1	-35.9	0	0	0	112.6	I992 I996	I992-N994 PolarHBondContact O-N 3.18Å; N994-I996 PolarHBondContact O-N 2.99Å
995	D	31.9	Very low	32	Very low	156.75 Å²	156.75	138.7 Å²	138.7	84%	0.838	78%	0.776	S	S	*	*			trans	-149.3	71	165.6	-105.6	-23	0	0	0	113.3
996	I	34	Very low	31.9	Very low	154.25 Å²	154.25	142 Å²	142	79%	0.791	78%	0.775	S	S	*	*			trans	-134.5	105.8	159.1	-55.6	-178.2	0	0	0	110.1	N994 G998	N994-I996 PolarHBondContact O-N 2.99Å; I996-G998 VanDerWaalsContact C-N 3.33Å; I996-G998 PolarHBondContact O-N 3.22Å; I996-G998 VanDerWaalsContact O-N 3.11Å
997	P	31.3	Very low	32.1	Very low	124.75 Å²	124.75	141.3 Å²	141.3	81%	0.81	78%	0.781	S	S	*	*			trans	-82.2	108.6	175.9	24.5	-21.4	0	0	0	112.2
998	G	32.7	Very low	32	Very low	64.75 Å²	64.75	136.9 Å²	136.9	67%	0.668	77%	0.771	S	S	*	*			trans	-87.7	125.9	177	0	0	0	0	0	117.3	I996	I996-G998 VanDerWaalsContact C-N 3.33Å; I996-G998 PolarHBondContact O-N 3.22Å; I996-G998 VanDerWaalsContact O-N 3.11Å
999	T	31.5	Very low	32.1	Very low	132.25 Å²	132.25	139 Å²	139	81%	0.811	77%	0.774	S	S	*	*			trans	-121.8	128.4	154.3	52.9	0	0	0	0	116.3
1000	M	32.8	Very low	32.1	Very low	171.25 Å²	171.25	139.5 Å²	139.5	84%	0.844	78%	0.777	S	S	*	*			trans	156.3	113.2	144.3	-73.9	-131.1	150.2	0	0	114.8
1001	K	30.8	Very low	32.2	Very low	186.2 Å²	186.2	138.9 Å²	138.9	81%	0.81	78%	0.778	S	S	*	*			trans	59.2	117.4	132.6	-67.1	-178.5	179.7	175.9	0	117.6
1002	S	31.2	Very low	32.2	Very low	126.8 Å²	126.8	135.5 Å²	135.5	89%	0.887	78%	0.775	S	S	*	*				153.5	135.2	123.5	137.6	0	0	0	0	112.4
1003	G	31.4	Very low	32.1	Very low	70.6 Å²	70.6	136.4 Å²	136.4	73%	0.728	78%	0.781	S	S	*	*			trans	166.9	94.8	173.5	0	0	0	0	0	111.4	H1005	G1003-H1005 PolarHBondContact O-N 3.1Å
1004	D	31.6	Very low	32.2	Very low	151.8 Å²	151.8	138.4 Å²	138.4	81%	0.812	78%	0.783	S	S	*	*			trans	-66.9	114.3	162.4	-130.5	-16	0	0	0	111.2	H1006	D1004-H1006 PolarHBondContact O-N 3.31Å
1005	H	34.4	Very low	32.3	Very low	184.2 Å²	184.2	136.8 Å²	136.8	85%	0.853	78%	0.783	S	S	*	*			trans	-139.6	100.7	154.9	-93.5	-47.9	0	0	0	112	G1003 V1007	G1003-H1005 PolarHBondContact O-N 3.1Å; H1005-V1007 PolarHBondContact O-N 2.8Å; H1005-V1007 VanDerWaalsContact O-N 3.12Å
1006	H	29.6	Very low	32.4	Very low	157.6 Å²	157.6	138.5 Å²	138.5	73%	0.73	78%	0.782	S	S	*	*			trans	-58.1	124.6	164	-134.8	-96.2	0	0	0	112.2	D1004	D1004-H1006 PolarHBondContact O-N 3.31Å
1007	V	35.1	Very low	32.4	Very low	136 Å²	136	138.4 Å²	138.4	82%	0.824	78%	0.784	S	S	*	*			trans	-130.4	114.4	153.2	-179	0	0	0	0	109.1	H1005	H1005-V1007 PolarHBondContact O-N 2.8Å; H1005-V1007 VanDerWaalsContact O-N 3.12Å
1008	E	29.1	Very low	32.4	Very low	145.6 Å²	145.6	136.9 Å²	136.9	68%	0.68	78%	0.776	S	S	*	*			trans	-84.5	148.6	179.6	-149.5	-178.8	171.4	0	0	111.2
1009	L	33	Very low	32.3	Very low	148 Å²	148	143.1 Å²	143.1	78%	0.775	79%	0.785	S	S	*	*			trans	159.9	109.6	151.1	-83.4	164.6	0	0	0	114	S1011	L1009-S1011 PolarHBondContact O-N 2.98Å
1010	N	31	Very low	32.3	Very low	139.2 Å²	139.2	142.3 Å²	142.3	74%	0.744	78%	0.78	S	S	*	*			trans	-160.6	134.1	146.3	-95.4	-22.9	0	0	0	114.9
1011	S	32.9	Very low	32.3	Very low	119.2 Å²	119.2	142.4 Å²	142.4	83%	0.834	78%	0.778	S	S	*	*			trans	110.4	131.9	148.5	140.9	0	0	0	0	115.7	L1009	L1009-S1011 PolarHBondContact O-N 2.98Å
1012	G	32.3	Very low	32.3	Very low	64.6 Å²	64.6	140.4 Å²	140.4	67%	0.666	78%	0.776	S	S	*	*				179	144.6	126.5	0	0	0	0	0	116
1013	N	33.7	Very low	32.3	Very low	149 Å²	149	141.5 Å²	141.5	80%	0.797	77%	0.771	S	S	*	*			trans	49.4	119	158.7	-69.5	-42.8	0	0	0	117.9
1014	K	34.4	Very low	32.2	Very low	187.6 Å²	187.6	143.5 Å²	143.5	82%	0.816	77%	0.771	S	S	*	*				137.8	126.2	58.7	-82.1	166.1	-176.7	172	0	113.3
1015	S	34.6	Very low	32.1	Very low	103.4 Å²	103.4	144.3 Å²	144.3	72%	0.723	77%	0.774	S	S	*	*				148.1	139.2	84.1	63.1	0	0	0	0	115.8
1016	K	33.5	Very low	32	Very low	190.4 Å²	190.4	140 Å²	140	83%	0.828	77%	0.765	S	S	*	*			trans	65.9	108.8	138.3	-69.7	-177.8	178.2	-177.3	0	118.8
1017	N	33.3	Very low	32.1	Very low	152.8 Å²	152.8	138.1 Å²	138.1	82%	0.817	77%	0.765	S	S	*	*				140	135.2	117.7	-79.5	2.3	0	0	0	115.1
1018	S	30.7	Very low	31.7	Very low	94.2 Å²	94.2	138.9 Å²	138.9	66%	0.659	76%	0.764	S	S	*	*			trans	156.4	134.9	132.6	58.2	0	0	0	0	114.1
1019	F	31.6	Very low	31.9	Very low	193.4 Å²	193.4	141.5 Å²	141.5	85%	0.848	77%	0.774	S	S	*	*				-173.4	139.2	117.9	-86	-85.2	0	0	0	115.4
1020	T	30.5	Very low	31.8	Very low	115.6 Å²	115.6	142.1 Å²	142.1	71%	0.709	77%	0.773	S	S	*	*			trans	-155.1	137.5	165.5	44.6	0	0	0	0	112.8
1021	H	33.3	Very low	31.8	Very low	174.6 Å²	174.6	140.5 Å²	140.5	81%	0.808	77%	0.773	S	S	*	*			trans	-136.1	124.3	148.4	-102.6	-82.1	0	0	0	110.7	I1023	H1021-I1023 HydrophobicContact CB-CD1 4.31Å; H1021-I1023 HydrophobicContact CB-CG1 4.25Å
1022	N	30.9	Very low	31.7	Very low	142.8 Å²	142.8	141.2 Å²	141.2	76%	0.764	77%	0.767	S	S	*	*			trans	-96.6	122.9	143	-68.5	-15	0	0	0	112.8
1023	I	32.1	Very low	31.8	Very low	151.2 Å²	151.2	146.2 Å²	146.2	78%	0.775	77%	0.773	S	S	*	*			trans	-118.8	141.8	141	-63	170.1	0	0	0	110.7	H1021	H1021-I1023 HydrophobicContact CB-CD1 4.31Å; H1021-I1023 HydrophobicContact CB-CG1 4.25Å
1024	P	29.1	Very low	31.7	Very low	113.2 Å²	113.2	146.3 Å²	146.3	74%	0.735	77%	0.773	S	S	*	*			trans	-109.6	161.4	164.2	23.2	-6.3	0	0	0	113.6	S1026	P1024-S1026 PolarHBondContact O-N 3.05Å
1025	L	29.3	Very low	31.5	Very low	167.2 Å²	167.2	143.6 Å²	143.6	88%	0.875	77%	0.767	S	S	*	*			trans	-100	128.5	161.9	-115.3	75.1	0	0	0	112
1026	S	31.5	Very low	31.4	Very low	94.6 Å²	94.6	143 Å²	143	66%	0.662	76%	0.763	S	S	*	*			trans	-70.9	128.7	154.5	108.7	0	0	0	0	113	P1024 D1028	P1024-S1026 PolarHBondContact O-N 3.05Å; S1026-D1028 PolarHBondContact O-N 3.46Å
1027	T	31.5	Very low	31.4	Very low	117.8 Å²	117.8	140.3 Å²	140.3	72%	0.723	76%	0.757	S	S	*	*			trans	-149.7	121.5	130.9	37.2	0	0	0	0	113	F1029	T1027-F1029 PolarHBondContact O-N 2.93Å; T1027-F1029 VanDerWaalsContact O-N 3.16Å
1028	D	28.3	Very low	31.3	Very low	152.6 Å²	152.6	142.1 Å²	142.1	82%	0.816	75%	0.752	S	S	*	*			trans	-64.5	104.1	169.2	-58.2	-55.3	0	0	0	112.7	S1026 Q1030	S1026-D1028 PolarHBondContact O-N 3.46Å; D1028-Q1030 PolarHBondContact O-N 2.84Å
1029	F	32.5	Very low	31.5	Very low	199.2 Å²	199.2	143.5 Å²	143.5	87%	0.874	75%	0.748	S	S	*	*			trans	-101.4	118.8	159.1	-101.2	-85.6	0	0	0	110.1	T1027 S1031	T1027-F1029 PolarHBondContact O-N 2.93Å; T1027-F1029 VanDerWaalsContact O-N 3.16Å; F1029-S1031 VanDerWaalsContact C-N 3.33Å; F1029-S1031 PolarHBondContact O-N 3.01Å; F1029-S1031 VanDerWaalsContact O-N 3.13Å
1030	Q	30.8	Very low	31.9	Very low	162 Å²	162	139.5 Å²	139.5	76%	0.757	73%	0.73	S	S	*	*			trans	-62.1	113.2	176	-69.6	178.4	-15.3	0	0	110.8	D1028 N1032 Q1033	D1028-Q1030 PolarHBondContact O-N 2.84Å; Q1030-N1032 VanDerWaalsContact C-N 3.28Å; Q1030-N1032 PolarHBondContact O-N 3.24Å; Q1030-N1032 PolarHBondContact OE1-ND2 2.95Å; Q1030-Q1033 PolarHBondContact O-N 2.82Å
1031	S	30	Very low	32.7	Very low	106 Å²	106	139.5 Å²	139.5	74%	0.741	72%	0.722	S	S	*	*			trans	-68.9	50.2	175.1	55.1	0	0	0	0	112.7	F1029 Q1033	F1029-S1031 VanDerWaalsContact C-N 3.33Å; F1029-S1031 PolarHBondContact O-N 3.01Å; F1029-S1031 VanDerWaalsContact O-N 3.13Å; S1031-Q1033 VanDerWaalsContact C-N 3.32Å; S1031-Q1033 PolarHBondContact O-N 3.43Å
1032	N	31.3	Very low	33.6	Very low	134 Å²	134	133.8 Å²	133.8	72%	0.717	70%	0.702	S	S	*	*			trans	-99.6	26.8	178.3	-75.2	-16.2	0	0	0	113	Q1030	Q1030-N1032 VanDerWaalsContact C-N 3.28Å; Q1030-N1032 PolarHBondContact O-N 3.24Å; Q1030-N1032 PolarHBondContact OE1-ND2 2.95Å
1033	Q	34.2	Very low	35.4	Very low	169.4 Å²	169.4	127.6 Å²	127.6	79%	0.792	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	13.1	177.4	-83.5	-169.3	30.1	0	0	114.8	Q1030 S1031 D1035 S1036	Q1030-Q1033 PolarHBondContact O-N 2.82Å; S1031-Q1033 VanDerWaalsContact C-N 3.32Å; S1031-Q1033 PolarHBondContact O-N 3.43Å; Q1033-D1035 PolarHBondContact O-N 2.9Å; Q1033-S1036 WeakPolarHBondContact O-CB 3.07Å; Q1033-S1036 PolarHBondContact O-N 3.21Å; Q1033-S1036 PolarHBondContact O-OG 2.88Å
1034	L	32.7	Very low	37.4	Very low	151.2 Å²	151.2	122.3 Å²	122.3	79%	0.792	65%	0.645	S	S	*	*	S	Bend	trans	-102.9	1.7	177.9	-145.2	75.3	0	0	0	114.4	S1036 L1037	L1034-S1036 PolarHBondContact O-N 3.05Å; L1034-L1037 HydrophobicContact CD1-CD1 4.36Å; L1034-L1037 PolarHBondContact O-N 2.86Å
1035	D	30.1	Very low	39.9	Very low	131 Å²	131	118.8 Å²	118.8	70%	0.701	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	0.9	179.8	-95	-27.2	0	0	0	114.2	Q1033 L1037 R1038 H1039	Q1033-D1035 PolarHBondContact O-N 2.9Å; D1035-L1037 PolarHBondContact O-N 2.95Å; D1035-R1038 PolarHBondContact O-N 2.92Å; D1035-R1038 IonicContact OD1-CZ 3.66Å; D1035-R1038 IonicContact OD1-NE 2.76Å; D1035-R1038 IonicContact OD1-NH1 3.76Å; D1035-H1039 PolarHBondContact O-CE1 3.22Å; D1035-H1039 PolarHBondContact O-ND1 3.23Å
1036	S	31.9	Very low	42.7	Very low	90.8 Å²	90.8	113.8 Å²	113.8	64%	0.635	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-8.9	-175.2	41.9	0	0	0	0	114.7	Q928 Q1033 L1034 R1038 H1039	Q928-S1036 PolarHBondContact NE2-O 3.06Å; Q928-S1036 VanDerWaalsContact NE2-O 3.08Å; Q1033-S1036 WeakPolarHBondContact O-CB 3.07Å; Q1033-S1036 PolarHBondContact O-N 3.21Å; Q1033-S1036 PolarHBondContact O-OG 2.88Å; L1034-S1036 PolarHBondContact O-N 3.05Å; S1036-R1038 VanDerWaalsContact C-N 3.29Å; S1036-R1038 PolarHBondContact O-N 3.35Å; S1036-H1039 PolarHBondContact O-ND1 2.82Å
1037	L	33	Very low	45.4	Very low	131.8 Å²	131.8	110.4 Å²	110.4	69%	0.69	57%	0.568	S	S	*	*			trans	-110.4	42.9	-179.2	-81.2	161.5	0	0	0	112.3	L1034 D1035 H1039	L1034-L1037 HydrophobicContact CD1-CD1 4.36Å; L1034-L1037 PolarHBondContact O-N 2.86Å; D1035-L1037 PolarHBondContact O-N 2.95Å; L1037-H1039 VanDerWaalsContact C-N 3.31Å; L1037-H1039 WeakPolarHBondContact CD2-CE1 3.45Å; L1037-H1039 PolarHBondContact O-N 3.19Å; L1037-H1039 VanDerWaalsContact O-N 3.17Å; L1037-H1039 PolarHBondContact O-ND1 3.3Å
1038	R	31	Very low	48.3	Very low	191.8 Å²	191.8	105.9 Å²	105.9	72%	0.724	54%	0.54	S	S	*	.			trans	-66.4	89.9	164.8	-73.6	-169.8	178.9	-157.6	-1.9	109.9	D1035 S1036 F1040	D1035-R1038 PolarHBondContact O-N 2.92Å; D1035-R1038 IonicContact OD1-CZ 3.66Å; D1035-R1038 IonicContact OD1-NE 2.76Å; D1035-R1038 IonicContact OD1-NH1 3.76Å; S1036-R1038 VanDerWaalsContact C-N 3.29Å; S1036-R1038 PolarHBondContact O-N 3.35Å; R1038-F1040 PolarHBondContact O-N 2.86Å
1039	H	36.5	Very low	51.3	Low	123 Å²	123	102.5 Å²	102.5	57%	0.569	52%	0.518	S	S	*	.			trans	-70.3	127.8	179.1	-75	63.4	0	0	0	111.1	Q928 D1035 S1036 L1037 Q1041	Q928-H1039 PolarHBondContact NE2-CD2 3.29Å; Q928-H1039 PolarHBondContact NE2-NE2 3.32Å; Q928-H1039 VanDerWaalsContact NE2-NE2 3.14Å; D1035-H1039 PolarHBondContact O-CE1 3.22Å; D1035-H1039 PolarHBondContact O-ND1 3.23Å; S1036-H1039 PolarHBondContact O-ND1 2.82Å; L1037-H1039 VanDerWaalsContact C-N 3.31Å; L1037-H1039 WeakPolarHBondContact CD2-CE1 3.45Å; L1037-H1039 PolarHBondContact O-N 3.19Å; L1037-H1039 VanDerWaalsContact O-N 3.17Å; L1037-H1039 PolarHBondContact O-ND1 3.3Å; H1039-Q1041 PolarHBondContact O-N 3.25Å; H1039-Q1041 VanDerWaalsContact O-N 3.13Å
1040	F	39.6	Very low	54.1	Low	109 Å²	109	93.4 Å²	93.4	48%	0.478	48%	0.48	S	S	.	.			trans	-66	109.1	174.7	-65.9	-83.7	0	0	0	110.9	I915 F933 R1038 S1042	I915-F1040 HydrophobicContact CD1-CD2 4.22Å; I915-F1040 HydrophobicContact CD1-CE1 3.64Å; I915-F1040 HydrophobicContact CD1-CE2 3.75Å; I915-F1040 HydrophobicContact CD1-CZ 3.84Å; I915-F1040 HydrophobicContact CG1-CD2 4.39Å; I915-F1040 HydrophobicContact CG1-CE1 4.36Å; I915-F1040 HydrophobicContact CG1-CE2 3.66Å; I915-F1040 HydrophobicContact CG1-CZ 4.11Å; F933-F1040 HydrophobicContact CE2-CD1 4.36Å; R1038-F1040 PolarHBondContact O-N 2.86Å; F1040-S1042 PolarHBondContact O-N 3.12Å; F1040-S1042 VanDerWaalsContact O-N 3.1Å
1041	Q	47.3	Very low	56.7	Low	115.8 Å²	115.8	93.5 Å²	93.5	54%	0.541	47%	0.474	S	S	.	.			trans	-82.5	93.6	168.4	-76.5	179.3	-33.1	0	0	109	H983 H1039 S1043 N1162	H983-Q1041 PolarHBondContact CE1-NE2 3.05Å; H1039-Q1041 PolarHBondContact O-N 3.25Å; H1039-Q1041 VanDerWaalsContact O-N 3.13Å; Q1041-S1043 PolarHBondContact O-N 3.09Å; Q1041-S1043 VanDerWaalsContact O-N 3.15Å; Q1041-N1162 PolarHBondContact NE2-OD1 2.92Å; Q1041-N1162 PolarHBondContact OE1-ND2 3.17Å; Q1041-N1162 PolarHBondContact OE1-OD1 3.15Å
1042	S	52.8	Low	59.5	Low	55.6 Å²	55.6	88.9 Å²	88.9	39%	0.389	44%	0.442	S	S	.	.			trans	-78.6	112.7	168.3	77.3	0	0	0	0	109.3	F933 N935 F1040 T1044	F933-S1042 VanDerWaalsContact O-CA 3.31Å; F933-S1042 WeakPolarHBondContact O-CA 3.39Å; F933-S1042 PolarHBondContact O-OG 2.73Å; N935-S1042 WeakPolarHBondContact ND2-CB 3.46Å; N935-S1042 PolarHBondContact ND2-OG 2.84Å; F1040-S1042 PolarHBondContact O-N 3.12Å; F1040-S1042 VanDerWaalsContact O-N 3.1Å; S1042-T1044 PolarHBondContact O-N 3.21Å
1043	S	67.4	Low	62.3	Low	12.8 Å²	12.8	84.2 Å²	84.2	9%	0.09	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.6	174.5	56.9	0	0	0	0	109.8	F933 T934 N935 Q1041 S1125	F933-S1043 PolarHBondContact O-N 3.18Å; T934-S1043 CarbonylContact C-O 3.55Å; T934-S1043 VanDerWaalsContact CA-O 3.29Å; T934-S1043 WeakPolarHBondContact CA-O 3.38Å; T934-S1043 WeakPolarHBondContact CA-OG 3.43Å; T934-S1043 WeakPolarHBondContact CG2-OG 3.33Å; T934-S1043 PolarHBondContact OG1-OG 3.3Å; T934-S1043 VanDerWaalsContact OG1-OG 3.13Å; N935-S1043 PolarHBondContact N-O 2.86Å; Q1041-S1043 PolarHBondContact O-N 3.09Å; Q1041-S1043 VanDerWaalsContact O-N 3.15Å; S1043-S1125 VanDerWaalsContact CB-CA 3.46Å; S1043-S1125 VanDerWaalsContact CB-CB 3.48Å
1044	T	74	Confident	65.1	Low	39.8 Å²	39.8	77.4 Å²	77.4	24%	0.244	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.5	176.3	-45.2	0	0	0	0	110.1	N935 I937 S1042 N1124	N935-T1044 HydrophobicContact CB-CG2 4.2Å; N935-T1044 PolarHBondContact ND2-OG1 3.08Å; I937-T1044 HydrophobicContact CD1-CG2 3.94Å; I937-T1044 HydrophobicContact CG1-CG2 4.42Å; S1042-T1044 PolarHBondContact O-N 3.21Å; T1044-N1124 PolarHBondContact O-N 2.77Å; T1044-N1124 PolarHBondContact OG1-ND2 2.89Å
1045	N	81.9	Confident	68	Low	40 Å²	40	71.8 Å²	71.8	21%	0.214	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.8	174.9	-71.5	-5.7	0	0	0	108.9	T934 N935 E936 I937 F1122 D1123	T934-N1045 HydrophobicContact CG2-CB 4.05Å; T934-N1045 VanDerWaalsContact CG2-ND2 3.33Å; T934-N1045 WeakPolarHBondContact CG2-ND2 3.39Å; N935-N1045 PolarHBondContact O-N 3.19Å; E936-N1045 CarbonylContact C-O 3.58Å; E936-N1045 WeakPolarHBondContact CA-O 3.44Å; I937-N1045 PolarHBondContact N-O 3.17Å; N1045-F1122 CarbonylContact C-O 3.55Å; N1045-F1122 VanDerWaalsContact CA-O 3.32Å; N1045-F1122 WeakPolarHBondContact CA-O 3.39Å; N1045-D1123 WeakPolarHBondContact OD1-CA 3.29Å; N1045-D1123 PolarHBondContact OD1-OD1 2.92Å; N1045-D1123 VanDerWaalsContact OD1-OD1 3.09Å
1046	M	87.4	Confident	70.9	Confident	61.6 Å²	61.6	66.1 Å²	66.1	30%	0.303	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.1	179.9	175.8	176.7	167.4	0	0	109.8	I937 I939 V1048 T1121 F1122	I937-M1046 HydrophobicContact CB-CB 4.36Å; I937-M1046 HydrophobicContact CB-CG 4.35Å; I937-M1046 HydrophobicContact CG2-CG 4.38Å; I937-M1046 CarbonylContact O-C 3.57Å; I937-M1046 VanDerWaalsContact O-CA 3.29Å; I937-M1046 WeakPolarHBondContact O-CA 3.32Å; I939-M1046 HydrophobicContact CD1-CE 3.53Å; I939-M1046 HydrophobicContact CG1-CE 4.27Å; M1046-V1048 HydrophobicContact CE-CG2 3.52Å; M1046-V1048 VanDerWaalsContact CE-CG2 3.45Å; M1046-V1048 HydrophobicContact CG-CG2 4.42Å; M1046-T1121 WeakPolarHBondContact O-CA 3.38Å; M1046-F1122 HydrophobicContact CB-CB 4.24Å; M1046-F1122 HydrophobicContact CB-CD1 4.39Å; M1046-F1122 PolarHBondContact N-O 3.16Å; M1046-F1122 PolarHBondContact O-N 2.88Å
1047	T	89.3	Confident	73.8	Confident	23.6 Å²	23.6	63.2 Å²	63.2	15%	0.145	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.7	174.3	83.4	0	0	0	0	110.1	I937 H938 I939 L1120 T1121	I937-T1047 PolarHBondContact O-N 3.02Å; H938-T1047 CarbonylContact C-O 3.49Å; H938-T1047 WeakPolarHBondContact CA-O 3.38Å; H938-T1047 PolarHBondContact ND1-OG1 2.97Å; I939-T1047 PolarHBondContact N-O 3.21Å; T1047-L1120 CarbonylContact C-O 3.54Å; T1047-L1120 VanDerWaalsContact CA-O 3.28Å; T1047-L1120 WeakPolarHBondContact CA-O 3.39Å; T1047-T1121 HydrophobicContact CG2-CG2 4.01Å
1048	V	91.7	Very high	76.6	Confident	22.2 Å²	22.2	57.8 Å²	57.8	14%	0.135	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.6	173.2	-175	0	0	0	0	108.8	I939 F941 M1046 R1119 L1120	I939-V1048 HydrophobicContact CB-CG1 4.31Å; I939-V1048 HydrophobicContact CB-CG2 4.22Å; I939-V1048 HydrophobicContact CD1-CG2 4.41Å; I939-V1048 HydrophobicContact CG1-CG2 4.28Å; I939-V1048 CarbonylContact O-C 3.56Å; I939-V1048 VanDerWaalsContact O-CA 3.25Å; I939-V1048 WeakPolarHBondContact O-CA 3.35Å; I939-V1048 WeakPolarHBondContact O-CG1 3.36Å; F941-V1048 HydrophobicContact CD2-CG1 3.6Å; F941-V1048 HydrophobicContact CE2-CG1 3.52Å; F941-V1048 VanDerWaalsContact CE2-CG1 3.46Å; M1046-V1048 HydrophobicContact CE-CG2 3.52Å; M1046-V1048 VanDerWaalsContact CE-CG2 3.45Å; M1046-V1048 HydrophobicContact CG-CG2 4.42Å; V1048-R1119 CarbonylContact O-C 3.55Å; V1048-R1119 VanDerWaalsContact O-CA 3.27Å; V1048-R1119 WeakPolarHBondContact O-CA 3.36Å; V1048-L1120 HydrophobicContact CB-CB 4Å; V1048-L1120 HydrophobicContact CB-CD2 4.43Å; V1048-L1120 HydrophobicContact CG2-CB 4.44Å; V1048-L1120 HydrophobicContact CG2-CD2 4.22Å; V1048-L1120 PolarHBondContact N-O 3.02Å; V1048-L1120 PolarHBondContact O-N 3.2Å
1049	K	92.5	Very high	79.5	Confident	81 Å²	81	48.7 Å²	48.7	35%	0.352	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.9	171.2	-49.6	-174.7	-154.6	100.3	0	109.2	I939 D940 F941 I1118 R1119	I939-K1049 PolarHBondContact O-N 3.3Å; D940-K1049 CarbonylContact C-O 3.57Å; D940-K1049 WeakPolarHBondContact CA-O 3.38Å; D940-K1049 VanDerWaalsContact CG-NZ 3.31Å; D940-K1049 VanDerWaalsContact OD1-CB 3.22Å; D940-K1049 WeakPolarHBondContact OD1-CB 3.43Å; D940-K1049 VanDerWaalsContact OD1-CD 3.25Å; D940-K1049 WeakPolarHBondContact OD1-CD 3.47Å; D940-K1049 WeakPolarHBondContact OD1-CE 3.43Å; D940-K1049 VanDerWaalsContact OD1-CG 3.24Å; D940-K1049 WeakPolarHBondContact OD1-CG 3.4Å; D940-K1049 IonicContact OD1-NZ 3Å; D940-K1049 PolarHBondContact OD1-NZ 3.17Å; D940-K1049 IonicContact OD2-NZ 2.62Å; D940-K1049 PolarHBondContact OD2-NZ 3.13Å; F941-K1049 PolarHBondContact N-O 3.1Å; K1049-I1118 CarbonylContact C-O 3.49Å; K1049-I1118 WeakPolarHBondContact CA-O 3.38Å; K1049-R1119 HydrophobicContact CG-CG 4.31Å
1050	C	90.7	Very high	82.1	Confident	9.6 Å²	9.6	42.9 Å²	42.9	7%	0.065	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.2	169.9	175.3	0	0	0	0	109.6	F941 T942 F944 S1052 I1118	F941-C1050 HydrophobicContact CB-CB 4.03Å; F941-C1050 WeakPolarHBondContact O-CA 3.29Å; T942-C1050 PolarHBondContact O-SG 3.13Å; T942-C1050 VanDerWaalsContact O-SG 3.34Å; F944-C1050 HydrophobicContact CE1-CB 4.28Å; F944-C1050 VanDerWaalsContact CE1-SG 3.55Å; F944-C1050 WeakPolarHBondContact CE1-SG 3.17Å; C1050-S1052 VanDerWaalsContact SG-C 3.57Å; C1050-S1052 PolarHBondContact SG-N 3.02Å; C1050-S1052 VanDerWaalsContact SG-N 3.4Å; C1050-S1052 PolarHBondContact SG-O 2.99Å; C1050-S1052 VanDerWaalsContact SG-O 3.4Å; C1050-I1118 HydrophobicContact CB-CB 4.2Å; C1050-I1118 HydrophobicContact CB-CD1 4.43Å; C1050-I1118 PolarHBondContact N-O 3.14Å; C1050-I1118 PolarHBondContact O-N 2.8Å
1051	Y	85.6	Confident	84.4	Confident	163.4 Å²	163.4	38.1 Å²	38.1	64%	0.641	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	-46	178.1	-179	-102.3	0	0	0	112.1	F941 K1117	F941-Y1051 PolarHBondContact O-N 3.09Å; Y1051-K1117 PolarHBondContact O-N 3.03Å
1052	S	88.7	Confident	86.3	Confident	8.6 Å²	8.6	32.7 Å²	32.7	6%	0.06	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	131.1	-176.3	-166.6	0	0	0	0	111.2	H943 F944 C1050 F1114 M1115	H943-S1052 VanDerWaalsContact CA-O 3.26Å; H943-S1052 WeakPolarHBondContact CA-O 3.42Å; H943-S1052 WeakPolarHBondContact ND1-CB 3.31Å; H943-S1052 PolarHBondContact ND1-O 3.06Å; H943-S1052 PolarHBondContact ND1-OG 2.89Å; F944-S1052 PolarHBondContact N-O 3.29Å; C1050-S1052 VanDerWaalsContact SG-C 3.57Å; C1050-S1052 PolarHBondContact SG-N 3.02Å; C1050-S1052 VanDerWaalsContact SG-N 3.4Å; C1050-S1052 PolarHBondContact SG-O 2.99Å; C1050-S1052 VanDerWaalsContact SG-O 3.4Å; S1052-F1114 WeakPolarHBondContact OG-CE1 3.45Å; S1052-F1114 VanDerWaalsContact OG-CE2 3.22Å; S1052-F1114 WeakPolarHBondContact OG-CE2 3.36Å; S1052-F1114 WeakPolarHBondContact OG-CZ 3.4Å; S1052-M1115 CarbonylContact C-O 3.55Å; S1052-M1115 VanDerWaalsContact CA-O 3.29Å; S1052-M1115 WeakPolarHBondContact CA-O 3.32Å; S1052-M1115 PolarHBondContact OG-O 3.33Å
1053	F	90.6	Very high	87.8	Confident	35.4 Å²	35.4	30.5 Å²	30.5	16%	0.155	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.5	179.5	169.3	-139.2	0	0	0	109.3	F944 V946 L1055 F1114 M1115 I1118	F944-F1053 AromaticContact CD2-CD2 3.72Å; F944-F1053 HydrophobicContact CD2-CD2 3.72Å; F944-F1053 AromaticContact CD2-CE2 3.97Å; F944-F1053 HydrophobicContact CD2-CE2 3.99Å; F944-F1053 HydrophobicContact CE1-CB 4.36Å; F944-F1053 HydrophobicContact CE1-CD2 4.18Å; F944-F1053 HydrophobicContact CE1-CG 4.44Å; F944-F1053 AromaticContact CE2-CD2 3.19Å; F944-F1053 HydrophobicContact CE2-CD2 3.19Å; F944-F1053 AromaticContact CE2-CE2 3.31Å; F944-F1053 HydrophobicContact CE2-CE2 3.31Å; F944-F1053 HydrophobicContact CE2-CG 4.09Å; F944-F1053 HydrophobicContact CE2-CZ 4.25Å; F944-F1053 HydrophobicContact CG-CD2 4.41Å; F944-F1053 HydrophobicContact CZ-CB 4.29Å; F944-F1053 HydrophobicContact CZ-CD1 4.49Å; F944-F1053 AromaticContact CZ-CD2 3.46Å; F944-F1053 HydrophobicContact CZ-CD2 3.46Å; F944-F1053 VanDerWaalsContact CZ-CD2 3.45Å; F944-F1053 AromaticContact CZ-CE2 3.89Å; F944-F1053 HydrophobicContact CZ-CE2 3.89Å; F944-F1053 AromaticContact CZ-CG 3.88Å; F944-F1053 HydrophobicContact CZ-CG 3.88Å; V946-F1053 HydrophobicContact CB-CE2 3.97Å; V946-F1053 HydrophobicContact CB-CZ 4.42Å; V946-F1053 HydrophobicContact CG2-CE2 3.81Å; V946-F1053 HydrophobicContact CG2-CZ 4.43Å; F1053-L1055 HydrophobicContact CE1-CB 4.13Å; F1053-L1055 HydrophobicContact CE2-CB 4.2Å; F1053-L1055 HydrophobicContact CZ-CB 3.72Å; F1053-L1055 HydrophobicContact CZ-CD1 4.39Å; F1053-L1055 HydrophobicContact CZ-CD2 4.44Å; F1053-L1055 HydrophobicContact CZ-CG 4.43Å; F1053-F1114 CarbonylContact O-C 3.56Å; F1053-F1114 WeakPolarHBondContact O-CA 3.29Å; F1053-M1115 HydrophobicContact CB-CB 4.43Å; F1053-M1115 HydrophobicContact CD1-CB 4.39Å; F1053-M1115 HydrophobicContact CD1-CE 3.56Å; F1053-M1115 VanDerWaalsContact CD1-CE 3.49Å; F1053-M1115 HydrophobicContact CD1-CG 4.3Å; F1053-M1115 HydrophobicContact CD1-SD 4.09Å; F1053-M1115 HydrophobicContact CE1-CE 3.53Å; F1053-M1115 HydrophobicContact CE1-SD 4.22Å; F1053-M1115 PolarHBondContact N-O 3.26Å; F1053-M1115 PolarHBondContact O-N 3.14Å; F1053-I1118 HydrophobicContact CB-CD1 3.51Å; F1053-I1118 VanDerWaalsContact CB-CD1 3.48Å; F1053-I1118 HydrophobicContact CD1-CD1 4.13Å; F1053-I1118 HydrophobicContact CG-CD1 4.3Å
1054	E	92.6	Very high	88.5	Confident	27.6 Å²	27.6	32.6 Å²	32.6	13%	0.129	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.5	171.6	-175.7	-176.7	146.2	0	0	109.7	F944 C945 V946 N1056 I1113 F1114	F944-E1054 PolarHBondContact O-N 3.04Å; F944-E1054 VanDerWaalsContact O-N 3.08Å; C945-E1054 CarbonylContact C-O 3.55Å; C945-E1054 VanDerWaalsContact CA-O 3.29Å; C945-E1054 WeakPolarHBondContact CA-O 3.27Å; C945-E1054 HydrophobicContact CB-CB 4.17Å; C945-E1054 PolarHBondContact SG-OE1 3.22Å; C945-E1054 VanDerWaalsContact SG-OE1 3.41Å; C945-E1054 PolarHBondContact SG-OE2 3.26Å; V946-E1054 PolarHBondContact N-O 2.99Å; E1054-N1056 PolarHBondContact OE1-ND2 3.04Å; E1054-N1056 PolarHBondContact OE1-OD1 3.05Å; E1054-I1113 WeakPolarHBondContact CA-O 3.2Å; E1054-F1114 HydrophobicContact CB-CD1 3.96Å; E1054-F1114 HydrophobicContact CB-CD2 4.1Å; E1054-F1114 HydrophobicContact CB-CE1 3.85Å; E1054-F1114 HydrophobicContact CB-CE2 4.43Å; E1054-F1114 HydrophobicContact CB-CZ 4.49Å; E1054-F1114 VanDerWaalsContact CD-CE1 3.48Å; E1054-F1114 VanDerWaalsContact CD-CZ 3.41Å; E1054-F1114 HydrophobicContact CG-CD1 3.96Å; E1054-F1114 HydrophobicContact CG-CD2 4.24Å; E1054-F1114 HydrophobicContact CG-CE1 3.51Å; E1054-F1114 VanDerWaalsContact CG-CE1 3.42Å; E1054-F1114 HydrophobicContact CG-CE2 4.35Å; E1054-F1114 HydrophobicContact CG-CG 4.48Å; E1054-F1114 HydrophobicContact CG-CZ 3.76Å; E1054-F1114 WeakPolarHBondContact OE2-CE1 3.33Å
1055	L	92.9	Very high	88.8	Confident	34 Å²	34	31.6 Å²	31.6	18%	0.178	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	112.4	175.4	174	61.9	0	0	0	109.5	V946 L948 F1053 L1057 I1113 M1115	V946-L1055 HydrophobicContact CB-CD1 4.14Å; V946-L1055 HydrophobicContact CG1-CD1 3.82Å; V946-L1055 CarbonylContact O-C 3.47Å; V946-L1055 WeakPolarHBondContact O-CA 3.31Å; L948-L1055 HydrophobicContact CB-CD1 3.99Å; L948-L1055 HydrophobicContact CD2-CD1 4.35Å; F1053-L1055 HydrophobicContact CE1-CB 4.13Å; F1053-L1055 HydrophobicContact CE2-CB 4.2Å; F1053-L1055 HydrophobicContact CZ-CB 3.72Å; F1053-L1055 HydrophobicContact CZ-CD1 4.39Å; F1053-L1055 HydrophobicContact CZ-CD2 4.44Å; F1053-L1055 HydrophobicContact CZ-CG 4.43Å; L1055-L1057 PolarHBondContact O-N 2.9Å; L1055-I1113 HydrophobicContact CB-CB 4.34Å; L1055-I1113 HydrophobicContact CD2-CD1 4.36Å; L1055-I1113 PolarHBondContact N-O 3.09Å; L1055-I1113 PolarHBondContact O-N 3.01Å; L1055-M1115 HydrophobicContact CB-CE 4.36Å; L1055-M1115 HydrophobicContact CD2-CE 4.36Å
1056	N	92.5	Very high	88.5	Confident	11.4 Å²	11.4	30.1 Å²	30.1	6%	0.061	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	94.4	175.5	-67.6	-42.4	0	0	0	109.2	C945 V946 D947 L948 E1054 R1058 Y1110 L1111 S1112	C945-N1056 PolarHBondContact SG-ND2 3.24Å; C945-N1056 VanDerWaalsContact SG-ND2 3.4Å; V946-N1056 PolarHBondContact O-N 3.19Å; D947-N1056 HydrophobicContact CB-CB 4.44Å; D947-N1056 VanDerWaalsContact OD1-CB 3.27Å; D947-N1056 WeakPolarHBondContact OD1-CB 3.38Å; D947-N1056 PolarHBondContact OD1-ND2 3.36Å; L948-N1056 PolarHBondContact N-O 3.08Å; E1054-N1056 PolarHBondContact OE1-ND2 3.04Å; E1054-N1056 PolarHBondContact OE1-OD1 3.05Å; N1056-R1058 PolarHBondContact O-N 3.21Å; N1056-Y1110 HydrophobicContact CB-CD2 3.97Å; N1056-Y1110 HydrophobicContact CB-CE2 4.15Å; N1056-Y1110 WeakPolarHBondContact OD1-CE2 3.46Å; N1056-L1111 CarbonylContact C-O 3.49Å; N1056-L1111 WeakPolarHBondContact CA-O 3.38Å; N1056-S1112 WeakPolarHBondContact OD1-CA 3.34Å; N1056-S1112 WeakPolarHBondContact OD1-CB 3.21Å; N1056-S1112 PolarHBondContact OD1-OG 3.18Å
1057	L	92.6	Very high	87.6	Confident	29.6 Å²	29.6	33.2 Å²	33.2	16%	0.155	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	111.2	178.2	175.2	65.2	0	0	0	110.1	L948 I950 L1055 F1059 Y1110 L1111 L1363	L948-L1057 HydrophobicContact CD2-CD1 3.98Å; L948-L1057 HydrophobicContact CG-CD1 4.22Å; I950-L1057 HydrophobicContact CD1-CD1 4.47Å; L1055-L1057 PolarHBondContact O-N 2.9Å; L1057-F1059 HydrophobicContact CD2-CE1 4.48Å; L1057-Y1110 WeakPolarHBondContact O-CA 3.28Å; L1057-Y1110 VanDerWaalsContact O-CB 3.3Å; L1057-Y1110 WeakPolarHBondContact O-CB 3.36Å; L1057-L1111 HydrophobicContact CB-CB 4.38Å; L1057-L1111 PolarHBondContact N-O 3Å; L1057-L1111 PolarHBondContact O-N 3.07Å; L1057-L1363 HydrophobicContact CD2-CD1 4.38Å; L1057-L1363 HydrophobicContact CD2-CD2 4.29Å
1058	R	91.6	Very high	86.4	Confident	19 Å²	19	33.7 Å²	33.7	7%	0.072	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.5	176.5	-56.3	-104.8	-179.7	-163	-6.1	110.5	F875 D947 L948 D949 N1056 P1060 V1106 Y1110 D1180	F875-R1058 HydrophobicContact CE2-CG 4.38Å; F875-R1058 HydrophobicContact CZ-CG 4.02Å; D947-R1058 WeakPolarHBondContact OD1-CD 3.38Å; D947-R1058 WeakPolarHBondContact OD1-CG 3.41Å; D947-R1058 IonicContact OD1-CZ 3.31Å; D947-R1058 IonicContact OD1-NE 3.55Å; D947-R1058 PolarHBondContact OD1-NE 3.16Å; D947-R1058 IonicContact OD2-CZ 3.01Å; D947-R1058 VanDerWaalsContact OD2-CZ 3.27Å; D947-R1058 IonicContact OD2-NE 3.22Å; D947-R1058 PolarHBondContact OD2-NE 2.96Å; D947-R1058 IonicContact OD2-NH2 3.46Å; D947-R1058 PolarHBondContact OD2-NH2 3Å; L948-R1058 VanDerWaalsContact O-CB 3.29Å; L948-R1058 WeakPolarHBondContact O-CB 3.44Å; L948-R1058 PolarHBondContact O-N 3.09Å; D949-R1058 HydrophobicContact CB-CB 4.32Å; D949-R1058 HydrophobicContact CB-CG 4.5Å; N1056-R1058 PolarHBondContact O-N 3.21Å; R1058-P1060 WeakPolarHBondContact O-CD 3.35Å; R1058-V1106 HydrophobicContact CB-CB 4.36Å; R1058-V1106 HydrophobicContact CB-CG1 4.18Å; R1058-Y1110 VanDerWaalsContact CD-CB 3.48Å; R1058-Y1110 VanDerWaalsContact NH1-CD1 3.29Å; R1058-D1180 IonicContact CZ-OD1 3.31Å; R1058-D1180 VanDerWaalsContact NH1-CG 3.33Å; R1058-D1180 IonicContact NH1-OD1 3.22Å; R1058-D1180 PolarHBondContact NH1-OD1 2.93Å; R1058-D1180 IonicContact NH1-OD2 2.94Å; R1058-D1180 PolarHBondContact NH1-OD2 3.12Å; R1058-D1180 IonicContact NH2-OD1 3.14Å; R1058-D1180 PolarHBondContact NH2-OD1 3.09Å
1059	F	91.7	Very high	85	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.2	177.2	-57.4	-66.8	0	0	0	110.4	L1057 V1106 R1107 E1109 L1111 L1177 R1358 L1359 D1362 L1363	L1057-F1059 HydrophobicContact CD2-CE1 4.48Å; F1059-V1106 CarbonylContact O-C 3.55Å; F1059-V1106 VanDerWaalsContact O-CA 3.26Å; F1059-V1106 WeakPolarHBondContact O-CA 3.37Å; F1059-V1106 WeakPolarHBondContact O-CB 3.28Å; F1059-R1107 HydrophobicContact CB-CB 4.19Å; F1059-R1107 HydrophobicContact CB-CG 4.02Å; F1059-R1107 PolarHBondContact O-N 2.97Å; F1059-E1109 HydrophobicContact CD2-CB 4.43Å; F1059-E1109 VanDerWaalsContact CD2-O 3.29Å; F1059-E1109 WeakPolarHBondContact CD2-O 3.38Å; F1059-L1111 HydrophobicContact CE1-CD1 4.31Å; F1059-L1111 HydrophobicContact CE2-CB 4.41Å; F1059-L1111 HydrophobicContact CE2-CG 4.21Å; F1059-L1111 HydrophobicContact CZ-CB 4Å; F1059-L1111 HydrophobicContact CZ-CD1 3.73Å; F1059-L1111 HydrophobicContact CZ-CG 3.65Å; F1059-L1177 HydrophobicContact CE2-CD1 4.43Å; F1059-R1358 HydrophobicContact CB-CB 4.5Å; F1059-R1358 HydrophobicContact CD1-CB 3.81Å; F1059-R1358 WeakPolarHBondContact CD1-O 3.34Å; F1059-R1358 HydrophobicContact CD2-CB 3.63Å; F1059-R1358 HydrophobicContact CD2-CG 3.73Å; F1059-R1358 HydrophobicContact CE1-CB 3.78Å; F1059-R1358 HydrophobicContact CE2-CB 3.6Å; F1059-R1358 VanDerWaalsContact CE2-CB 3.48Å; F1059-R1358 HydrophobicContact CE2-CG 3.9Å; F1059-R1358 HydrophobicContact CG-CB 3.73Å; F1059-R1358 HydrophobicContact CG-CG 4.17Å; F1059-R1358 HydrophobicContact CZ-CB 3.67Å; F1059-R1358 VanDerWaalsContact CZ-CB 3.48Å; F1059-R1358 HydrophobicContact CZ-CG 4.37Å; F1059-L1359 HydrophobicContact CE1-CD2 3.99Å; F1059-L1359 HydrophobicContact CZ-CD2 4.43Å; F1059-D1362 HydrophobicContact CB-CB 4.34Å; F1059-L1363 HydrophobicContact CD1-CB 4.45Å; F1059-L1363 HydrophobicContact CD1-CD1 4.07Å; F1059-L1363 HydrophobicContact CD1-CD2 4.25Å; F1059-L1363 HydrophobicContact CD1-CG 3.9Å; F1059-L1363 HydrophobicContact CE1-CD1 3.98Å; F1059-L1363 HydrophobicContact CE1-CG 4.32Å
1060	P	90.7	Very high	83.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	160.8	174.1	34.3	-36.5	0	0	0	110.5	R1058 T1105 D1362 L1363 W1366	R1058-P1060 WeakPolarHBondContact O-CD 3.35Å; P1060-T1105 CarbonylContact C-O 3.59Å; P1060-D1362 WeakPolarHBondContact O-CB 3.28Å; P1060-L1363 HydrophobicContact CG-CD2 4.35Å; P1060-W1366 HydrophobicContact CB-CB 4.48Å; P1060-W1366 VanDerWaalsContact CB-CD1 3.49Å; P1060-W1366 HydrophobicContact CB-CD2 4.41Å; P1060-W1366 HydrophobicContact CB-CG 3.95Å; P1060-W1366 HydrophobicContact CG-CB 3.83Å; P1060-W1366 VanDerWaalsContact CG-CD1 3.4Å; P1060-W1366 HydrophobicContact CG-CD2 4.2Å; P1060-W1366 HydrophobicContact CG-CG 3.56Å; P1060-W1366 VanDerWaalsContact CG-CG 3.5Å
1061	V	89	Confident	81.7	Confident	9.6 Å²	9.6	41.1 Å²	41.1	6%	0.058	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-91.9	118.4	173	-175.4	0	0	0	0	109.3	A1065 V1096 I1099 T1105 R1107	V1061-A1065 HydrophobicContact CG1-CB 3.81Å; V1061-V1096 HydrophobicContact CG1-CB 4.48Å; V1061-V1096 HydrophobicContact CG1-CG1 3.96Å; V1061-V1096 HydrophobicContact CG1-CG2 3.76Å; V1061-V1096 HydrophobicContact CG2-CG2 4.2Å; V1061-I1099 HydrophobicContact CB-CD1 4.21Å; V1061-I1099 HydrophobicContact CB-CG1 4.48Å; V1061-I1099 HydrophobicContact CG1-CD1 3.87Å; V1061-I1099 HydrophobicContact CG1-CG1 4.32Å; V1061-I1099 VanDerWaalsContact O-CD1 3.31Å; V1061-I1099 WeakPolarHBondContact O-CD1 3.46Å; V1061-T1105 WeakPolarHBondContact CG2-O 3.3Å; V1061-T1105 PolarHBondContact N-O 3.1Å; V1061-T1105 VanDerWaalsContact N-O 3.08Å; V1061-R1107 HydrophobicContact CG2-CG 4.43Å
1062	P	87	Confident	80.6	Confident	2.8 Å²	2.8	35.7 Å²	35.7	2%	0.018	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-74.5	158.1	177	33.6	-37.6	0	0	0	111.1	E1064 A1065 D1362 L1365 Y1801	P1062-E1064 WeakPolarHBondContact CB-OE2 3.32Å; P1062-E1064 PolarHBondContact O-N 3.11Å; P1062-A1065 HydrophobicContact CG-CB 4.17Å; P1062-A1065 VanDerWaalsContact O-CB 3.31Å; P1062-A1065 WeakPolarHBondContact O-CB 3.32Å; P1062-A1065 PolarHBondContact O-N 3.16Å; P1062-A1065 VanDerWaalsContact O-N 3.13Å; P1062-D1362 WeakPolarHBondContact CD-OD1 3.39Å; P1062-L1365 HydrophobicContact CB-CB 3.96Å; P1062-L1365 HydrophobicContact CG-CB 4.47Å; P1062-Y1801 HydrophobicContact CG-CD1 4.06Å; P1062-Y1801 HydrophobicContact CG-CE1 3.74Å
1063	I	83.1	Confident	79.9	Confident	8.2 Å²	8.2	41.3 Å²	41.3	4%	0.042	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-66	-28	-177.2	-167.8	168.6	0	0	0	111.9	A1065 I1066 I1074 I1077 R1078 L1081 L1369	I1063-A1065 PolarHBondContact O-N 3Å; I1063-I1066 HydrophobicContact CG1-CD1 4.26Å; I1063-I1066 WeakPolarHBondContact O-CB 3.4Å; I1063-I1066 WeakPolarHBondContact O-CG1 3.31Å; I1063-I1066 PolarHBondContact O-N 3.07Å; I1063-I1066 VanDerWaalsContact O-N 3.13Å; I1063-I1074 HydrophobicContact CD1-CG2 4.36Å; I1063-I1074 HydrophobicContact CG2-CG2 3.95Å; I1063-I1077 HydrophobicContact CD1-CB 4.19Å; I1063-I1077 HydrophobicContact CD1-CG2 3.9Å; I1063-I1077 HydrophobicContact CG1-CB 4.46Å; I1063-I1077 HydrophobicContact CG1-CG2 4.07Å; I1063-R1078 HydrophobicContact CD1-CB 4.23Å; I1063-R1078 HydrophobicContact CD1-CG 3.89Å; I1063-L1081 HydrophobicContact CD1-CD1 4Å; I1063-L1369 HydrophobicContact CB-CD2 4.34Å; I1063-L1369 HydrophobicContact CD1-CD2 4.45Å
1064	E	81.6	Confident	79.1	Confident	56.2 Å²	56.2	42.6 Å²	42.6	26%	0.263	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.7	-20.3	175.1	-66.7	70	-156	0	0	113.2	P1062 I1066 I1074 L1365 Y1801 S1803 Y1804	P1062-E1064 WeakPolarHBondContact CB-OE2 3.32Å; P1062-E1064 PolarHBondContact O-N 3.11Å; E1064-I1066 VanDerWaalsContact C-N 3.32Å; E1064-I1066 PolarHBondContact O-N 2.97Å; E1064-I1074 HydrophobicContact CG-CD1 4.25Å; E1064-L1365 HydrophobicContact CB-CD1 4.5Å; E1064-L1365 HydrophobicContact CG-CD1 4.42Å; E1064-Y1801 CarbonylContact O-C 3.59Å; E1064-Y1801 VanDerWaalsContact O-C 3.25Å; E1064-Y1801 WeakPolarHBondContact O-CA 3.22Å; E1064-S1803 PolarHBondContact O-N 2.88Å; E1064-Y1804 HydrophobicContact CG-CD2 4.39Å
1065	A	81	Confident	78.4	Confident	19 Å²	19	45.7 Å²	45.7	16%	0.157	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-74.8	-12.8	175.4	0	0	0	0	0	113.4	V1061 P1062 I1063 K1067 V1096 Y1801	V1061-A1065 HydrophobicContact CG1-CB 3.81Å; P1062-A1065 HydrophobicContact CG-CB 4.17Å; P1062-A1065 VanDerWaalsContact O-CB 3.31Å; P1062-A1065 WeakPolarHBondContact O-CB 3.32Å; P1062-A1065 PolarHBondContact O-N 3.16Å; P1062-A1065 VanDerWaalsContact O-N 3.13Å; I1063-A1065 PolarHBondContact O-N 3Å; A1065-K1067 PolarHBondContact O-N 2.78Å; A1065-V1096 HydrophobicContact CB-CG2 4.44Å; A1065-Y1801 HydrophobicContact CB-CD1 4.2Å
1066	I	76.2	Confident	77.5	Confident	10 Å²	10	48 Å²	48	5%	0.051	27%	0.274	C	S	.	.	S	Bend	trans	-88.4	124	178.1	-58.8	175.4	0	0	0	109.8	I1063 E1064 T1068 I1077 V1087 N1089 V1096 I1099 S1803	I1063-I1066 HydrophobicContact CG1-CD1 4.26Å; I1063-I1066 WeakPolarHBondContact O-CB 3.4Å; I1063-I1066 WeakPolarHBondContact O-CG1 3.31Å; I1063-I1066 PolarHBondContact O-N 3.07Å; I1063-I1066 VanDerWaalsContact O-N 3.13Å; E1064-I1066 VanDerWaalsContact C-N 3.32Å; E1064-I1066 PolarHBondContact O-N 2.97Å; I1066-T1068 HydrophobicContact CG2-CG2 3.98Å; I1066-T1068 PolarHBondContact O-N 3.12Å; I1066-I1077 HydrophobicContact CD1-CG2 4.2Å; I1066-V1087 HydrophobicContact CD1-CB 4.23Å; I1066-V1087 HydrophobicContact CD1-CG1 3.99Å; I1066-V1087 HydrophobicContact CG2-CG1 4.16Å; I1066-N1089 HydrophobicContact CG2-CB 4.25Å; I1066-V1096 HydrophobicContact CG1-CG1 4.14Å; I1066-I1099 HydrophobicContact CD1-CB 3.7Å; I1066-I1099 HydrophobicContact CD1-CD1 3.92Å; I1066-I1099 HydrophobicContact CD1-CG1 4.07Å; I1066-I1099 HydrophobicContact CD1-CG2 3.48Å; I1066-I1099 VanDerWaalsContact CD1-CG2 3.41Å; I1066-I1099 HydrophobicContact CG1-CB 4.43Å; I1066-I1099 HydrophobicContact CG1-CD1 3.73Å; I1066-I1099 HydrophobicContact CG1-CG1 4.03Å; I1066-S1803 PolarHBondContact O-OG 3.13Å; I1066-S1803 VanDerWaalsContact O-OG 3.11Å
1067	K	68.8	Low	76.8	Confident	125.8 Å²	125.8	47.7 Å²	47.7	55%	0.547	27%	0.273	S	S	.	.			trans	-79.5	109	169.6	-103.2	177.5	-176.4	173	0	110	A1065 N1089 S1090 P1802	A1065-K1067 PolarHBondContact O-N 2.78Å; K1067-N1089 PolarHBondContact N-OD1 2.92Å; K1067-N1089 PolarHBondContact O-OD1 2.94Å; K1067-N1089 VanDerWaalsContact O-OD1 3.05Å; K1067-S1090 PolarHBondContact O-N 3.04Å; K1067-S1090 PolarHBondContact O-OG 3.22Å; K1067-P1802 HydrophobicContact CB-CB 3.95Å; K1067-P1802 HydrophobicContact CB-CG 3.79Å; K1067-P1802 HydrophobicContact CD-CB 3.99Å; K1067-P1802 HydrophobicContact CG-CB 4.09Å; K1067-P1802 HydrophobicContact CG-CG 4.47Å
1068	T	63.6	Low	76.3	Confident	35.2 Å²	35.2	48 Å²	48	22%	0.216	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-78.6	161.8	169.5	60.5	0	0	0	0	110.8	I1066 S1070 Q1072 I1077 V1087	I1066-T1068 HydrophobicContact CG2-CG2 3.98Å; I1066-T1068 PolarHBondContact O-N 3.12Å; T1068-S1070 PolarHBondContact O-N 2.72Å; T1068-Q1072 HydrophobicContact CG2-CB 4.26Å; T1068-Q1072 WeakPolarHBondContact OG1-CB 3.07Å; T1068-Q1072 PolarHBondContact OG1-OE1 3.06Å; T1068-I1077 HydrophobicContact CG2-CD1 3.64Å; T1068-I1077 VanDerWaalsContact CG2-CD1 3.41Å; T1068-I1077 HydrophobicContact CG2-CG1 4.12Å; T1068-I1077 HydrophobicContact CG2-CG2 4.28Å; T1068-V1087 HydrophobicContact CG2-CG1 3.91Å
1069	T	61.8	Low	75.7	Confident	81 Å²	81	49.8 Å²	49.8	50%	0.497	29%	0.287	S	S	.	.	S	Bend	trans	-62.4	142.6	168	55.7	0	0	0	0	110.5	G1071 Q1072	T1069-G1071 PolarHBondContact O-N 3.03Å; T1069-G1071 VanDerWaalsContact O-N 3.13Å; T1069-Q1072 WeakPolarHBondContact O-CB 3.34Å; T1069-Q1072 WeakPolarHBondContact O-CG 3.39Å; T1069-Q1072 PolarHBondContact O-N 3.36Å; T1069-Q1072 VanDerWaalsContact O-N 3.09Å; T1069-Q1072 WeakPolarHBondContact OG1-CG 3.45Å; T1069-Q1072 PolarHBondContact OG1-NE2 3.32Å; T1069-Q1072 VanDerWaalsContact OG1-NE2 3.1Å; T1069-Q1072 PolarHBondContact OG1-OE1 2.91Å
1070	S	53.3	Low	75	Confident	114.4 Å²	114.4	54.1 Å²	54.1	80%	0.8	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	118.9	-171	67	0	0	0	0	113.8	T1068	T1068-S1070 PolarHBondContact O-N 2.72Å
1071	G	60.2	Low	74.5	Confident	71.4 Å²	71.4	54.2 Å²	54.2	74%	0.736	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.3	-10	172.4	0	0	0	0	0	116.2	T1069 K1073	T1069-G1071 PolarHBondContact O-N 3.03Å; T1069-G1071 VanDerWaalsContact O-N 3.13Å; G1071-K1073 PolarHBondContact O-N 2.95Å
1072	Q	64.3	Low	74.1	Confident	50.8 Å²	50.8	57.6 Å²	57.6	24%	0.237	32%	0.318	C	S	.	.			trans	-69.1	131.6	176.3	-68.3	-164.2	-34	0	0	111.8	T1068 T1069 E1076 I1077 K1080	T1068-Q1072 HydrophobicContact CG2-CB 4.26Å; T1068-Q1072 WeakPolarHBondContact OG1-CB 3.07Å; T1068-Q1072 PolarHBondContact OG1-OE1 3.06Å; T1069-Q1072 WeakPolarHBondContact O-CB 3.34Å; T1069-Q1072 WeakPolarHBondContact O-CG 3.39Å; T1069-Q1072 PolarHBondContact O-N 3.36Å; T1069-Q1072 VanDerWaalsContact O-N 3.09Å; T1069-Q1072 WeakPolarHBondContact OG1-CG 3.45Å; T1069-Q1072 PolarHBondContact OG1-NE2 3.32Å; T1069-Q1072 VanDerWaalsContact OG1-NE2 3.1Å; T1069-Q1072 PolarHBondContact OG1-OE1 2.91Å; Q1072-E1076 WeakPolarHBondContact CA-OE2 3.42Å; Q1072-E1076 WeakPolarHBondContact CB-OE2 3.47Å; Q1072-E1076 WeakPolarHBondContact CG-OE2 3.46Å; Q1072-E1076 PolarHBondContact NE2-OE2 3.05Å; Q1072-I1077 HydrophobicContact CB-CG1 4.36Å; Q1072-K1080 VanDerWaalsContact CD-NZ 3.35Å
1073	K	72.1	Confident	73.2	Confident	125.6 Å²	125.6	62.3 Å²	62.3	55%	0.546	35%	0.352	S	S	.	.			trans	-86.3	151.2	174.7	-59.8	179.9	178.4	179.7	0	111.1	G1071 P1075 E1076 I1077 N1711	G1071-K1073 PolarHBondContact O-N 2.95Å; K1073-P1075 VanDerWaalsContact C-CD 3.44Å; K1073-P1075 VanDerWaalsContact C-N 3.32Å; K1073-P1075 VanDerWaalsContact O-N 3.14Å; K1073-E1076 HydrophobicContact CB-CG 4.38Å; K1073-E1076 WeakPolarHBondContact CB-OE1 3.45Å; K1073-E1076 PolarHBondContact N-OE1 2.92Å; K1073-E1076 PolarHBondContact N-OE2 3.03Å; K1073-E1076 VanDerWaalsContact N-OE2 3.16Å; K1073-E1076 WeakPolarHBondContact O-CA 3.18Å; K1073-E1076 VanDerWaalsContact O-CB 3.29Å; K1073-E1076 WeakPolarHBondContact O-CB 3.37Å; K1073-E1076 PolarHBondContact O-N 3.06Å; K1073-I1077 PolarHBondContact O-N 3.05Å; K1073-N1711 PolarHBondContact NZ-OD1 3.1Å
1074	I	75.1	Confident	72.5	Confident	63.4 Å²	63.4	64.6 Å²	64.6	33%	0.325	37%	0.372	S	S	.	.	H	α-helix	trans	-49.7	-42.2	178.8	-63.1	169	0	0	0	113.4	I1063 E1064 E1076 I1077 R1078	I1063-I1074 HydrophobicContact CD1-CG2 4.36Å; I1063-I1074 HydrophobicContact CG2-CG2 3.95Å; E1064-I1074 HydrophobicContact CG-CD1 4.25Å; I1074-E1076 VanDerWaalsContact C-N 3.29Å; I1074-E1076 PolarHBondContact O-N 3.1Å; I1074-I1077 WeakPolarHBondContact O-CB 3.41Å; I1074-I1077 PolarHBondContact O-N 3.04Å; I1074-I1077 VanDerWaalsContact O-N 3.12Å; I1074-R1078 PolarHBondContact O-N 3.11Å
1075	P	76.9	Confident	72	Confident	93 Å²	93	62 Å²	62	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-60.9	-32.5	175.8	-25.7	36.5	0	0	0	114.3	K1073 I1077 R1078 S1079	K1073-P1075 VanDerWaalsContact C-CD 3.44Å; K1073-P1075 VanDerWaalsContact C-N 3.32Å; K1073-P1075 VanDerWaalsContact O-N 3.14Å; P1075-I1077 VanDerWaalsContact C-N 3.34Å; P1075-R1078 PolarHBondContact O-N 3.18Å; P1075-S1079 WeakPolarHBondContact O-CB 3.33Å; P1075-S1079 PolarHBondContact O-N 3Å
1076	E	75.7	Confident	71.7	Confident	81 Å²	81	61.9 Å²	61.9	38%	0.379	36%	0.357	S	S	.	.	H	α-helix	trans	-69.9	-38	175.9	-60.9	168.7	-155.3	0	0	111.1	Q1072 K1073 I1074 R1078 S1079 K1080	Q1072-E1076 WeakPolarHBondContact CA-OE2 3.42Å; Q1072-E1076 WeakPolarHBondContact CB-OE2 3.47Å; Q1072-E1076 WeakPolarHBondContact CG-OE2 3.46Å; Q1072-E1076 PolarHBondContact NE2-OE2 3.05Å; K1073-E1076 HydrophobicContact CB-CG 4.38Å; K1073-E1076 WeakPolarHBondContact CB-OE1 3.45Å; K1073-E1076 PolarHBondContact N-OE1 2.92Å; K1073-E1076 PolarHBondContact N-OE2 3.03Å; K1073-E1076 VanDerWaalsContact N-OE2 3.16Å; K1073-E1076 WeakPolarHBondContact O-CA 3.18Å; K1073-E1076 VanDerWaalsContact O-CB 3.29Å; K1073-E1076 WeakPolarHBondContact O-CB 3.37Å; K1073-E1076 PolarHBondContact O-N 3.06Å; I1074-E1076 VanDerWaalsContact C-N 3.29Å; I1074-E1076 PolarHBondContact O-N 3.1Å; E1076-R1078 VanDerWaalsContact C-N 3.31Å; E1076-R1078 PolarHBondContact O-N 2.79Å; E1076-S1079 WeakPolarHBondContact CA-OG 3.3Å; E1076-S1079 PolarHBondContact O-N 3.17Å; E1076-S1079 PolarHBondContact O-OG 3.02Å; E1076-K1080 WeakPolarHBondContact O-CB 3.24Å; E1076-K1080 WeakPolarHBondContact O-CD 3.36Å; E1076-K1080 VanDerWaalsContact O-CG 3.26Å; E1076-K1080 WeakPolarHBondContact O-CG 3.39Å; E1076-K1080 PolarHBondContact O-N 3.04Å; E1076-K1080 VanDerWaalsContact O-N 3.09Å
1077	I	77.4	Confident	71.4	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-64.9	-44.1	175.1	-54.5	177.2	0	0	0	109.8	I1063 I1066 T1068 Q1072 K1073 I1074 P1075 S1079 K1080 L1081 V1087	I1063-I1077 HydrophobicContact CD1-CB 4.19Å; I1063-I1077 HydrophobicContact CD1-CG2 3.9Å; I1063-I1077 HydrophobicContact CG1-CB 4.46Å; I1063-I1077 HydrophobicContact CG1-CG2 4.07Å; I1066-I1077 HydrophobicContact CD1-CG2 4.2Å; T1068-I1077 HydrophobicContact CG2-CD1 3.64Å; T1068-I1077 VanDerWaalsContact CG2-CD1 3.41Å; T1068-I1077 HydrophobicContact CG2-CG1 4.12Å; T1068-I1077 HydrophobicContact CG2-CG2 4.28Å; Q1072-I1077 HydrophobicContact CB-CG1 4.36Å; K1073-I1077 PolarHBondContact O-N 3.05Å; I1074-I1077 WeakPolarHBondContact O-CB 3.41Å; I1074-I1077 PolarHBondContact O-N 3.04Å; I1074-I1077 VanDerWaalsContact O-N 3.12Å; P1075-I1077 VanDerWaalsContact C-N 3.34Å; I1077-S1079 VanDerWaalsContact C-N 3.32Å; I1077-S1079 PolarHBondContact O-N 3.04Å; I1077-K1080 WeakPolarHBondContact O-CB 3.33Å; I1077-K1080 PolarHBondContact O-N 3.05Å; I1077-K1080 VanDerWaalsContact O-N 3.15Å; I1077-L1081 HydrophobicContact CG2-CD1 4.26Å; I1077-L1081 WeakPolarHBondContact O-CB 3.35Å; I1077-L1081 WeakPolarHBondContact O-CG 3.36Å; I1077-L1081 PolarHBondContact O-N 3.21Å; I1077-V1087 HydrophobicContact CG2-CG1 4.24Å; I1077-V1087 HydrophobicContact CG2-CG2 4.37Å
1078	R	81.8	Confident	71.4	Confident	36.2 Å²	36.2	63.8 Å²	63.8	14%	0.137	36%	0.364	C	S	.	.	H	α-helix	trans	-60.4	-45.9	174.8	-126	-173.7	-113.1	-145.7	4.3	111.5	I1063 I1074 P1075 E1076 K1080 L1081 W1082 S1368 L1370	I1063-R1078 HydrophobicContact CD1-CB 4.23Å; I1063-R1078 HydrophobicContact CD1-CG 3.89Å; I1074-R1078 PolarHBondContact O-N 3.11Å; P1075-R1078 PolarHBondContact O-N 3.18Å; E1076-R1078 VanDerWaalsContact C-N 3.31Å; E1076-R1078 PolarHBondContact O-N 2.79Å; R1078-K1080 VanDerWaalsContact C-N 3.33Å; R1078-K1080 PolarHBondContact O-N 2.99Å; R1078-L1081 WeakPolarHBondContact O-CB 3.39Å; R1078-L1081 PolarHBondContact O-N 3.13Å; R1078-L1081 VanDerWaalsContact O-N 3.12Å; R1078-W1082 HydrophobicContact CB-CH2 4.14Å; R1078-W1082 HydrophobicContact CB-CZ2 4.1Å; R1078-W1082 HydrophobicContact CG-CH2 4.47Å; R1078-W1082 HydrophobicContact CG-CZ2 3.89Å; R1078-W1082 VanDerWaalsContact O-CD1 3.32Å; R1078-W1082 VanDerWaalsContact O-CD2 3.3Å; R1078-W1082 VanDerWaalsContact O-CG 3.31Å; R1078-W1082 PolarHBondContact O-N 3.3Å; R1078-W1082 VanDerWaalsContact O-N 3.12Å; R1078-W1082 PolarHBondContact O-NE1 2.94Å; R1078-S1368 PolarHBondContact NH1-O 3.31Å; R1078-L1370 PolarHBondContact NH1-O 2.71Å
1079	S	78.1	Confident	71.5	Confident	56 Å²	56	63.6 Å²	63.6	39%	0.392	36%	0.361	S	S	.	.	H	α-helix	trans	-60.6	-40.2	175.8	112	0	0	0	0	113.2	P1075 E1076 I1077 L1081 W1082 S1083	P1075-S1079 WeakPolarHBondContact O-CB 3.33Å; P1075-S1079 PolarHBondContact O-N 3Å; E1076-S1079 WeakPolarHBondContact CA-OG 3.3Å; E1076-S1079 PolarHBondContact O-N 3.17Å; E1076-S1079 PolarHBondContact O-OG 3.02Å; I1077-S1079 VanDerWaalsContact C-N 3.32Å; I1077-S1079 PolarHBondContact O-N 3.04Å; S1079-L1081 VanDerWaalsContact C-N 3.33Å; S1079-L1081 PolarHBondContact O-N 3.36Å; S1079-W1082 WeakPolarHBondContact O-CB 3.39Å; S1079-W1082 PolarHBondContact O-N 3.11Å; S1079-W1082 VanDerWaalsContact O-N 3.15Å; S1079-S1083 WeakPolarHBondContact O-CB 3.3Å; S1079-S1083 PolarHBondContact O-N 3.23Å; S1079-S1083 PolarHBondContact O-OG 3.18Å; S1079-S1083 VanDerWaalsContact O-OG 3.13Å
1080	K	78.5	Confident	71.1	Confident	91 Å²	91	63.4 Å²	63.4	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-39.2	173	-75.3	175.7	-179	178.1	0	112.1	Q1072 E1076 I1077 R1078 W1082 S1083 A1084 V1087	Q1072-K1080 VanDerWaalsContact CD-NZ 3.35Å; E1076-K1080 WeakPolarHBondContact O-CB 3.24Å; E1076-K1080 WeakPolarHBondContact O-CD 3.36Å; E1076-K1080 VanDerWaalsContact O-CG 3.26Å; E1076-K1080 WeakPolarHBondContact O-CG 3.39Å; E1076-K1080 PolarHBondContact O-N 3.04Å; E1076-K1080 VanDerWaalsContact O-N 3.09Å; I1077-K1080 WeakPolarHBondContact O-CB 3.33Å; I1077-K1080 PolarHBondContact O-N 3.05Å; I1077-K1080 VanDerWaalsContact O-N 3.15Å; R1078-K1080 VanDerWaalsContact C-N 3.33Å; R1078-K1080 PolarHBondContact O-N 2.99Å; K1080-W1082 VanDerWaalsContact C-N 3.33Å; K1080-W1082 PolarHBondContact O-N 3.36Å; K1080-S1083 WeakPolarHBondContact CA-OG 3.35Å; K1080-S1083 PolarHBondContact O-N 2.94Å; K1080-S1083 PolarHBondContact O-OG 3.11Å; K1080-S1083 VanDerWaalsContact O-OG 3.11Å; K1080-A1084 VanDerWaalsContact O-CB 3.29Å; K1080-A1084 WeakPolarHBondContact O-CB 3.24Å; K1080-A1084 PolarHBondContact O-N 3.08Å; K1080-V1087 HydrophobicContact CB-CG2 4.29Å
1081	L	79.8	Confident	71.1	Confident	0.6 Å²	0.6	62.6 Å²	62.6	0%	0.003	35%	0.35	C	S	.	.	H	α-helix	trans	-65.8	-33.7	177	-156	103.6	0	0	0	112.3	I1063 I1077 R1078 S1079 S1083 G1085 V1087 I1099 W1101 L1369	I1063-L1081 HydrophobicContact CD1-CD1 4Å; I1077-L1081 HydrophobicContact CG2-CD1 4.26Å; I1077-L1081 WeakPolarHBondContact O-CB 3.35Å; I1077-L1081 WeakPolarHBondContact O-CG 3.36Å; I1077-L1081 PolarHBondContact O-N 3.21Å; R1078-L1081 WeakPolarHBondContact O-CB 3.39Å; R1078-L1081 PolarHBondContact O-N 3.13Å; R1078-L1081 VanDerWaalsContact O-N 3.12Å; S1079-L1081 VanDerWaalsContact C-N 3.33Å; S1079-L1081 PolarHBondContact O-N 3.36Å; L1081-S1083 VanDerWaalsContact C-N 3.33Å; L1081-G1085 CarbonylContact O-C 3.54Å; L1081-G1085 WeakPolarHBondContact O-CA 3.37Å; L1081-G1085 PolarHBondContact O-N 3.22Å; L1081-V1087 HydrophobicContact CB-CG2 3.91Å; L1081-V1087 HydrophobicContact CD1-CB 4.29Å; L1081-V1087 HydrophobicContact CD1-CG2 3.91Å; L1081-V1087 HydrophobicContact CD2-CB 4.01Å; L1081-V1087 HydrophobicContact CD2-CG2 3.5Å; L1081-V1087 HydrophobicContact CG-CG2 4.21Å; L1081-I1099 HydrophobicContact CD1-CB 4.49Å; L1081-I1099 HydrophobicContact CD1-CG2 3.8Å; L1081-I1099 VanDerWaalsContact CD1-CG2 3.46Å; L1081-I1099 WeakPolarHBondContact CD1-O 3.25Å; L1081-I1099 HydrophobicContact CD2-CG2 4.05Å; L1081-I1099 WeakPolarHBondContact CD2-O 3.2Å; L1081-W1101 HydrophobicContact CD2-CB 4.23Å; L1081-W1101 HydrophobicContact CD2-CG 4.43Å; L1081-W1101 PolarHBondContact O-NE1 2.89Å; L1081-L1369 HydrophobicContact CD1-CD2 4.11Å; L1081-L1369 HydrophobicContact CD2-CB 3.66Å; L1081-L1369 HydrophobicContact CD2-CD1 4.26Å; L1081-L1369 HydrophobicContact CD2-CD2 4.02Å; L1081-L1369 HydrophobicContact CD2-CG 4.25Å
1082	W	79	Confident	70.5	Confident	81.2 Å²	81.2	66.6 Å²	66.6	31%	0.308	35%	0.35	S	S	.	.	H	α-helix	trans	-67.9	-39.8	173.8	-56.9	-21.6	0	0	0	112.1	R1078 S1079 K1080 L1369 P1371 L1380	R1078-W1082 HydrophobicContact CB-CH2 4.14Å; R1078-W1082 HydrophobicContact CB-CZ2 4.1Å; R1078-W1082 HydrophobicContact CG-CH2 4.47Å; R1078-W1082 HydrophobicContact CG-CZ2 3.89Å; R1078-W1082 VanDerWaalsContact O-CD1 3.32Å; R1078-W1082 VanDerWaalsContact O-CD2 3.3Å; R1078-W1082 VanDerWaalsContact O-CG 3.31Å; R1078-W1082 PolarHBondContact O-N 3.3Å; R1078-W1082 VanDerWaalsContact O-N 3.12Å; R1078-W1082 PolarHBondContact O-NE1 2.94Å; S1079-W1082 WeakPolarHBondContact O-CB 3.39Å; S1079-W1082 PolarHBondContact O-N 3.11Å; S1079-W1082 VanDerWaalsContact O-N 3.15Å; K1080-W1082 VanDerWaalsContact C-N 3.33Å; K1080-W1082 PolarHBondContact O-N 3.36Å; W1082-L1369 PolarHBondContact NE1-O 3.24Å; W1082-P1371 HydrophobicContact CD2-CB 4.35Å; W1082-P1371 HydrophobicContact CD2-CG 3.97Å; W1082-P1371 HydrophobicContact CE3-CG 4.31Å; W1082-P1371 HydrophobicContact CG-CG 4.2Å; W1082-P1371 HydrophobicContact CH2-CB 4.27Å; W1082-P1371 HydrophobicContact CH2-CG 4.34Å; W1082-P1371 HydrophobicContact CZ2-CB 3.94Å; W1082-P1371 HydrophobicContact CZ2-CG 3.99Å; W1082-P1371 HydrophobicContact CZ3-CB 4.43Å; W1082-P1371 HydrophobicContact CZ3-CG 4.48Å; W1082-P1371 VanDerWaalsContact NE1-CD 3.33Å; W1082-L1380 HydrophobicContact CB-CD2 3.86Å; W1082-L1380 HydrophobicContact CG-CD2 4.36Å; W1082-L1380 WeakPolarHBondContact O-CD2 3.46Å
1083	S	69.9	Low	69.6	Low	102.8 Å²	102.8	69.1 Å²	69.1	72%	0.719	37%	0.373	S	S	*	.	H	α-helix	trans	-82.2	-40.3	-177.9	-13.9	0	0	0	0	114.3	S1079 K1080 L1081	S1079-S1083 WeakPolarHBondContact O-CB 3.3Å; S1079-S1083 PolarHBondContact O-N 3.23Å; S1079-S1083 PolarHBondContact O-OG 3.18Å; S1079-S1083 VanDerWaalsContact O-OG 3.13Å; K1080-S1083 WeakPolarHBondContact CA-OG 3.35Å; K1080-S1083 PolarHBondContact O-N 2.94Å; K1080-S1083 PolarHBondContact O-OG 3.11Å; K1080-S1083 VanDerWaalsContact O-OG 3.11Å; L1081-S1083 VanDerWaalsContact C-N 3.33Å
1084	A	68.4	Low	68.4	Low	56.4 Å²	56.4	67.2 Å²	67.2	47%	0.466	37%	0.368	S	S	.	.	H	α-helix	trans	-101.4	-9.4	-175.3	0	0	0	0	0	113.6	K1080 T1086 P1383	K1080-A1084 VanDerWaalsContact O-CB 3.29Å; K1080-A1084 WeakPolarHBondContact O-CB 3.24Å; K1080-A1084 PolarHBondContact O-N 3.08Å; A1084-T1086 PolarHBondContact O-N 3.17Å; A1084-P1383 WeakPolarHBondContact O-CG 3.33Å
1085	G	70.4	Confident	67.4	Low	1.2 Å²	1.2	68.5 Å²	68.5	1%	0.012	38%	0.384	C	S	.	.	S	Bend	trans	63.3	-18.9	-177.9	0	0	0	0	0	117.3	L1081 S1100 W1102	L1081-G1085 CarbonylContact O-C 3.54Å; L1081-G1085 WeakPolarHBondContact O-CA 3.37Å; L1081-G1085 PolarHBondContact O-N 3.22Å; G1085-S1100 VanDerWaalsContact O-CA 3.31Å; G1085-S1100 WeakPolarHBondContact O-CA 3.39Å; G1085-S1100 WeakPolarHBondContact O-CB 3.45Å; G1085-S1100 PolarHBondContact O-OG 2.89Å; G1085-W1102 VanDerWaalsContact O-CD1 3.31Å; G1085-W1102 WeakPolarHBondContact O-CH2 3.11Å; G1085-W1102 VanDerWaalsContact O-CZ2 3.23Å; G1085-W1102 WeakPolarHBondContact O-CZ2 2.82Å; G1085-W1102 WeakPolarHBondContact O-CZ3 3.47Å; G1085-W1102 PolarHBondContact O-NE1 3.12Å; G1085-W1102 VanDerWaalsContact O-NE1 3.12Å
1086	T	74.5	Confident	66.4	Low	16 Å²	16	66.4 Å²	66.4	10%	0.098	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.8	178.4	-59.3	0	0	0	0	109.6	A1084 Y1088 I1099 S1100 W1102	A1084-T1086 PolarHBondContact O-N 3.17Å; T1086-Y1088 HydrophobicContact CG2-CD1 4.38Å; T1086-Y1088 HydrophobicContact CG2-CD2 4.26Å; T1086-Y1088 HydrophobicContact CG2-CE1 4.05Å; T1086-Y1088 HydrophobicContact CG2-CE2 3.8Å; T1086-Y1088 HydrophobicContact CG2-CG 4.33Å; T1086-I1099 CarbonylContact C-O 3.57Å; T1086-I1099 VanDerWaalsContact CA-O 3.28Å; T1086-I1099 WeakPolarHBondContact CA-O 3.25Å; T1086-S1100 WeakPolarHBondContact CB-OG 3.39Å; T1086-S1100 VanDerWaalsContact CG2-OG 3.29Å; T1086-S1100 WeakPolarHBondContact CG2-OG 3.34Å; T1086-S1100 PolarHBondContact OG1-OG 3.15Å; T1086-W1102 WeakPolarHBondContact OG1-CZ2 3.32Å; T1086-W1102 PolarHBondContact OG1-NE1 3.15Å
1087	V	71	Confident	65.8	Low	21.2 Å²	21.2	69.4 Å²	69.4	13%	0.128	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.7	169.1	174.7	0	0	0	0	109	I1066 T1068 I1077 K1080 L1081 S1098 I1099	I1066-V1087 HydrophobicContact CD1-CB 4.23Å; I1066-V1087 HydrophobicContact CD1-CG1 3.99Å; I1066-V1087 HydrophobicContact CG2-CG1 4.16Å; T1068-V1087 HydrophobicContact CG2-CG1 3.91Å; I1077-V1087 HydrophobicContact CG2-CG1 4.24Å; I1077-V1087 HydrophobicContact CG2-CG2 4.37Å; K1080-V1087 HydrophobicContact CB-CG2 4.29Å; L1081-V1087 HydrophobicContact CB-CG2 3.91Å; L1081-V1087 HydrophobicContact CD1-CB 4.29Å; L1081-V1087 HydrophobicContact CD1-CG2 3.91Å; L1081-V1087 HydrophobicContact CD2-CB 4.01Å; L1081-V1087 HydrophobicContact CD2-CG2 3.5Å; L1081-V1087 HydrophobicContact CG-CG2 4.21Å; V1087-S1098 CarbonylContact O-C 3.55Å; V1087-S1098 VanDerWaalsContact O-CA 3.26Å; V1087-S1098 WeakPolarHBondContact O-CA 3.44Å; V1087-S1098 WeakPolarHBondContact O-CB 3.38Å; V1087-I1099 HydrophobicContact CB-CG2 4.23Å; V1087-I1099 PolarHBondContact N-O 3.19Å; V1087-I1099 VanDerWaalsContact N-O 3.12Å; V1087-I1099 PolarHBondContact O-N 2.99Å
1088	Y	68.7	Low	65.6	Low	154.6 Å²	154.6	71.2 Å²	71.2	61%	0.606	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.7	176.4	-64	-82	0	0	0	110.9	T1086 S1090	T1086-Y1088 HydrophobicContact CG2-CD1 4.38Å; T1086-Y1088 HydrophobicContact CG2-CD2 4.26Å; T1086-Y1088 HydrophobicContact CG2-CE1 4.05Å; T1086-Y1088 HydrophobicContact CG2-CE2 3.8Å; T1086-Y1088 HydrophobicContact CG2-CG 4.33Å; Y1088-S1090 PolarHBondContact O-N 3.07Å
1089	N	64.2	Low	65.5	Low	31.2 Å²	31.2	69.6 Å²	69.6	17%	0.167	39%	0.39	C	S	.	.			trans	-79	118.6	171.1	-175.1	-2	0	0	0	109.4	I1066 K1067 N1091 Q1092 V1096 Q1097	I1066-N1089 HydrophobicContact CG2-CB 4.25Å; K1067-N1089 PolarHBondContact N-OD1 2.92Å; K1067-N1089 PolarHBondContact O-OD1 2.94Å; K1067-N1089 VanDerWaalsContact O-OD1 3.05Å; N1089-N1091 VanDerWaalsContact C-N 3.28Å; N1089-N1091 PolarHBondContact ND2-O 3.03Å; N1089-N1091 PolarHBondContact O-N 2.97Å; N1089-N1091 PolarHBondContact OD1-N 2.93Å; N1089-N1091 VanDerWaalsContact OD1-N 3.12Å; N1089-Q1092 PolarHBondContact ND2-OE1 3.32Å; N1089-V1096 WeakPolarHBondContact CB-O 3.31Å; N1089-V1096 PolarHBondContact ND2-O 2.98Å; N1089-Q1097 WeakPolarHBondContact CB-O 3.42Å; N1089-Q1097 PolarHBondContact N-O 3.17Å
1090	S	55	Low	65.8	Low	77.4 Å²	77.4	67.2 Å²	67.2	54%	0.541	37%	0.374	S	S	.	.	S	Bend	trans	-76.1	-10.5	-174.2	66.6	0	0	0	0	114.1	K1067 Y1088	K1067-S1090 PolarHBondContact O-N 3.04Å; K1067-S1090 PolarHBondContact O-OG 3.22Å; Y1088-S1090 PolarHBondContact O-N 3.07Å
1091	N	51.9	Low	66.1	Low	97.4 Å²	97.4	63.3 Å²	63.3	52%	0.521	36%	0.356	S	S	.	.			trans	-121.3	91.8	-173.8	-76.7	-15.1	0	0	0	113.2	N1089 S1093 N1094	N1089-N1091 VanDerWaalsContact C-N 3.28Å; N1089-N1091 PolarHBondContact ND2-O 3.03Å; N1089-N1091 PolarHBondContact O-N 2.97Å; N1089-N1091 PolarHBondContact OD1-N 2.93Å; N1089-N1091 VanDerWaalsContact OD1-N 3.12Å; N1091-S1093 PolarHBondContact O-N 3.14Å; N1091-N1094 PolarHBondContact O-N 3.13Å
1092	Q	48.7	Very low	66.1	Low	155.6 Å²	155.6	65 Å²	65	73%	0.727	36%	0.363	S	S	*	.			trans	-117.7	92	167.6	-74	176.9	-10.2	0	0	114.4	N1089 N1094	N1089-Q1092 PolarHBondContact ND2-OE1 3.32Å; Q1092-N1094 PolarHBondContact O-N 3.02Å
1093	S	45.3	Very low	66.2	Low	104 Å²	104	62.4 Å²	62.4	73%	0.727	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	27.2	170.8	50.9	0	0	0	0	112.7	N1091	N1091-S1093 PolarHBondContact O-N 3.14Å
1094	N	47.1	Very low	66.9	Low	84.2 Å²	84.2	59.9 Å²	59.9	45%	0.45	33%	0.333	S	S	.	.	S	Bend	trans	-77.6	130.6	179.2	-62.3	3	0	0	0	113.7	N1091 Q1092 V1096 E1799	N1091-N1094 PolarHBondContact O-N 3.13Å; Q1092-N1094 PolarHBondContact O-N 3.02Å; N1094-V1096 PolarHBondContact O-N 3.11Å; N1094-V1096 VanDerWaalsContact O-N 3.1Å; N1094-E1799 PolarHBondContact ND2-O 2.99Å
1095	S	53	Low	67.7	Low	91.8 Å²	91.8	57.9 Å²	57.9	64%	0.642	32%	0.315	S	S	*	.	S	Bend	trans	-75.1	-5.3	168.8	60	0	0	0	0	115.7	Q1097 R1107 E1800	S1095-Q1097 PolarHBondContact O-N 3.48Å; S1095-R1107 PolarHBondContact OG-NH1 3.14Å; S1095-E1800 PolarHBondContact OG-OE1 2.96Å
1096	V	56.2	Low	68.5	Low	49.2 Å²	49.2	59.4 Å²	59.4	30%	0.298	32%	0.324	S	S	.	.			trans	-96.5	100	179.7	-175.8	0	0	0	0	110.4	V1061 A1065 I1066 N1089 N1094 S1098 I1099	V1061-V1096 HydrophobicContact CG1-CB 4.48Å; V1061-V1096 HydrophobicContact CG1-CG1 3.96Å; V1061-V1096 HydrophobicContact CG1-CG2 3.76Å; V1061-V1096 HydrophobicContact CG2-CG2 4.2Å; A1065-V1096 HydrophobicContact CB-CG2 4.44Å; I1066-V1096 HydrophobicContact CG1-CG1 4.14Å; N1089-V1096 WeakPolarHBondContact CB-O 3.31Å; N1089-V1096 PolarHBondContact ND2-O 2.98Å; N1094-V1096 PolarHBondContact O-N 3.11Å; N1094-V1096 VanDerWaalsContact O-N 3.1Å; V1096-S1098 PolarHBondContact O-N 2.89Å; V1096-I1099 HydrophobicContact CG1-CG1 4.16Å
1097	Q	62.7	Low	69.2	Low	142.6 Å²	142.6	59.7 Å²	59.7	67%	0.666	32%	0.323	S	S	*	.			trans	-81.5	-3.2	175.2	-70.5	176.6	-15	0	0	112.2	N1089 S1095	N1089-Q1097 WeakPolarHBondContact CB-O 3.42Å; N1089-Q1097 PolarHBondContact N-O 3.17Å; S1095-Q1097 PolarHBondContact O-N 3.48Å
1098	S	72.5	Confident	69.9	Low	44.4 Å²	44.4	63.6 Å²	63.6	31%	0.31	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	152	174.1	54.2	0	0	0	0	111.8	V1087 V1096	V1087-S1098 CarbonylContact O-C 3.55Å; V1087-S1098 VanDerWaalsContact O-CA 3.26Å; V1087-S1098 WeakPolarHBondContact O-CA 3.44Å; V1087-S1098 WeakPolarHBondContact O-CB 3.38Å; V1096-S1098 PolarHBondContact O-N 2.89Å
1099	I	81.2	Confident	70.8	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.6	169.4	-104.3	175.5	0	0	0	109.5	V1061 I1066 L1081 T1086 V1087 V1096 T1105 L1369	V1061-I1099 HydrophobicContact CB-CD1 4.21Å; V1061-I1099 HydrophobicContact CB-CG1 4.48Å; V1061-I1099 HydrophobicContact CG1-CD1 3.87Å; V1061-I1099 HydrophobicContact CG1-CG1 4.32Å; V1061-I1099 VanDerWaalsContact O-CD1 3.31Å; V1061-I1099 WeakPolarHBondContact O-CD1 3.46Å; I1066-I1099 HydrophobicContact CD1-CB 3.7Å; I1066-I1099 HydrophobicContact CD1-CD1 3.92Å; I1066-I1099 HydrophobicContact CD1-CG1 4.07Å; I1066-I1099 HydrophobicContact CD1-CG2 3.48Å; I1066-I1099 VanDerWaalsContact CD1-CG2 3.41Å; I1066-I1099 HydrophobicContact CG1-CB 4.43Å; I1066-I1099 HydrophobicContact CG1-CD1 3.73Å; I1066-I1099 HydrophobicContact CG1-CG1 4.03Å; L1081-I1099 HydrophobicContact CD1-CB 4.49Å; L1081-I1099 HydrophobicContact CD1-CG2 3.8Å; L1081-I1099 VanDerWaalsContact CD1-CG2 3.46Å; L1081-I1099 WeakPolarHBondContact CD1-O 3.25Å; L1081-I1099 HydrophobicContact CD2-CG2 4.05Å; L1081-I1099 WeakPolarHBondContact CD2-O 3.2Å; T1086-I1099 CarbonylContact C-O 3.57Å; T1086-I1099 VanDerWaalsContact CA-O 3.28Å; T1086-I1099 WeakPolarHBondContact CA-O 3.25Å; V1087-I1099 HydrophobicContact CB-CG2 4.23Å; V1087-I1099 PolarHBondContact N-O 3.19Å; V1087-I1099 VanDerWaalsContact N-O 3.12Å; V1087-I1099 PolarHBondContact O-N 2.99Å; V1096-I1099 HydrophobicContact CG1-CG1 4.16Å; I1099-T1105 HydrophobicContact CB-CG2 4.41Å; I1099-T1105 HydrophobicContact CG1-CG2 4.06Å; I1099-T1105 HydrophobicContact CG2-CG2 4.03Å; I1099-L1369 HydrophobicContact CD1-CD1 3.74Å; I1099-L1369 HydrophobicContact CD1-CD2 3.84Å; I1099-L1369 HydrophobicContact CD1-CG 4.42Å; I1099-L1369 HydrophobicContact CG1-CD1 3.77Å; I1099-L1369 HydrophobicContact CG2-CD1 3.47Å; I1099-L1369 VanDerWaalsContact CG2-CD1 3.47Å; I1099-L1369 HydrophobicContact CG2-CD2 4.07Å; I1099-L1369 HydrophobicContact CG2-CG 4.31Å
1100	S	84.5	Confident	72.1	Confident	6.8 Å²	6.8	57.9 Å²	57.9	5%	0.048	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	136.2	176.2	-51.6	0	0	0	0	108.9	G1085 T1086 W1102 A1103 T1105	G1085-S1100 VanDerWaalsContact O-CA 3.31Å; G1085-S1100 WeakPolarHBondContact O-CA 3.39Å; G1085-S1100 WeakPolarHBondContact O-CB 3.45Å; G1085-S1100 PolarHBondContact O-OG 2.89Å; T1086-S1100 WeakPolarHBondContact CB-OG 3.39Å; T1086-S1100 VanDerWaalsContact CG2-OG 3.29Å; T1086-S1100 WeakPolarHBondContact CG2-OG 3.34Å; T1086-S1100 PolarHBondContact OG1-OG 3.15Å; S1100-W1102 VanDerWaalsContact C-N 3.29Å; S1100-W1102 PolarHBondContact O-N 2.97Å; S1100-A1103 PolarHBondContact O-N 3.16Å; S1100-T1105 VanDerWaalsContact O-CG2 3.29Å; S1100-T1105 WeakPolarHBondContact O-CG2 3.3Å
1101	W	83.2	Confident	73.8	Confident	9.4 Å²	9.4	55 Å²	55	4%	0.036	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.6	177.6	59.9	-99.7	0	0	0	113.2	D954 R955 H957 L1081 A1103 L1369 L1370 L1380	D954-W1101 HydrophobicContact CB-CB 4.37Å; R955-W1101 WeakPolarHBondContact CG-O 3.22Å; H957-W1101 AromaticContact CE1-CZ3 3.78Å; L1081-W1101 HydrophobicContact CD2-CB 4.23Å; L1081-W1101 HydrophobicContact CD2-CG 4.43Å; L1081-W1101 PolarHBondContact O-NE1 2.89Å; W1101-A1103 PolarHBondContact O-N 2.83Å; W1101-L1369 HydrophobicContact CB-CB 4.05Å; W1101-L1369 HydrophobicContact CB-CD1 4.4Å; W1101-L1370 HydrophobicContact CB-CD2 3.73Å; W1101-L1370 HydrophobicContact CB-CG 4.45Å; W1101-L1370 HydrophobicContact CD2-CD2 3.88Å; W1101-L1370 HydrophobicContact CE3-CD2 4.03Å; W1101-L1370 HydrophobicContact CG-CD2 3.76Å; W1101-L1380 HydrophobicContact CH2-CB 4.18Å; W1101-L1380 HydrophobicContact CZ2-CB 3.83Å
1102	W	79.9	Confident	75.7	Confident	36.2 Å²	36.2	50.4 Å²	50.4	14%	0.137	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.1	179.8	57.4	-90.9	0	0	0	114.2	R955 G1085 T1086 S1100 R1382 P1383	R955-W1102 WeakPolarHBondContact CD-O 3.46Å; G1085-W1102 VanDerWaalsContact O-CD1 3.31Å; G1085-W1102 WeakPolarHBondContact O-CH2 3.11Å; G1085-W1102 VanDerWaalsContact O-CZ2 3.23Å; G1085-W1102 WeakPolarHBondContact O-CZ2 2.82Å; G1085-W1102 WeakPolarHBondContact O-CZ3 3.47Å; G1085-W1102 PolarHBondContact O-NE1 3.12Å; G1085-W1102 VanDerWaalsContact O-NE1 3.12Å; T1086-W1102 WeakPolarHBondContact OG1-CZ2 3.32Å; T1086-W1102 PolarHBondContact OG1-NE1 3.15Å; S1100-W1102 VanDerWaalsContact C-N 3.29Å; S1100-W1102 PolarHBondContact O-N 2.97Å; W1102-R1382 HydrophobicContact CB-CG 4.43Å; W1102-R1382 HydrophobicContact CD2-CG 3.92Å; W1102-R1382 HydrophobicContact CE3-CG 4.31Å; W1102-R1382 VanDerWaalsContact CE3-CZ 3.46Å; W1102-R1382 VanDerWaalsContact CE3-NE 3.32Å; W1102-R1382 HydrophobicContact CG-CB 4.44Å; W1102-R1382 HydrophobicContact CG-CG 4.06Å; W1102-R1382 VanDerWaalsContact CZ3-CZ 3.44Å; W1102-R1382 VanDerWaalsContact CZ3-NE 3.34Å; W1102-P1383 HydrophobicContact CH2-CG 3.4Å; W1102-P1383 VanDerWaalsContact CH2-CG 3.4Å; W1102-P1383 HydrophobicContact CZ2-CG 4.14Å; W1102-P1383 HydrophobicContact CZ3-CG 4.04Å
1103	A	82.3	Confident	77.8	Confident	26.4 Å²	26.4	44.5 Å²	44.5	22%	0.218	24%	0.242	C	C	.	.	S	Bend	trans	-118.7	159	-178.4	0	0	0	0	0	111.1	R955 S1100 W1101 T1105	R955-A1103 PolarHBondContact NH1-O 3.27Å; S1100-A1103 PolarHBondContact O-N 3.16Å; W1101-A1103 PolarHBondContact O-N 2.83Å; A1103-T1105 PolarHBondContact O-N 3Å
1104	R	84.8	Confident	80	Confident	50.2 Å²	50.2	40.6 Å²	40.6	19%	0.189	21%	0.212	C	C	.	.			trans	-73.3	110.6	177.3	-165.1	174.8	-150.5	-167.3	3	110.7	E845 L847 F875 D947 D949 V1106	E845-R1104 IonicContact OE2-CZ 3.65Å; E845-R1104 IonicContact OE2-NE 3.25Å; E845-R1104 PolarHBondContact OE2-NE 2.96Å; E845-R1104 IonicContact OE2-NH2 3.62Å; E845-R1104 PolarHBondContact OE2-NH2 2.89Å; L847-R1104 HydrophobicContact CD1-CB 4.02Å; F875-R1104 VanDerWaalsContact CB-CZ 3.48Å; F875-R1104 VanDerWaalsContact CE1-NH1 3.25Å; F875-R1104 HydrophobicContact CE2-CB 4.46Å; F875-R1104 VanDerWaalsContact CE2-CZ 3.46Å; D947-R1104 IonicContact OD1-CZ 3.98Å; D947-R1104 IonicContact OD1-NH1 2.76Å; D947-R1104 IonicContact OD1-NH2 3.79Å; D947-R1104 PolarHBondContact OD1-NH2 3.36Å; D947-R1104 IonicContact OD2-CZ 3.57Å; D947-R1104 IonicContact OD2-NH1 3.57Å; D947-R1104 IonicContact OD2-NH2 2.82Å; D947-R1104 PolarHBondContact OD2-NH2 3.25Å; D949-R1104 IonicContact OD1-CZ 2.73Å; D949-R1104 IonicContact OD1-NE 3.47Å; D949-R1104 PolarHBondContact OD1-NE 3.34Å; D949-R1104 IonicContact OD1-NH2 3.49Å; D949-R1104 PolarHBondContact OD1-NH2 3.15Å; D949-R1104 WeakPolarHBondContact OD2-CD 3.33Å; D949-R1104 VanDerWaalsContact OD2-CG 3.31Å; D949-R1104 WeakPolarHBondContact OD2-CG 3.44Å; D949-R1104 IonicContact OD2-CZ 3.39Å; D949-R1104 IonicContact OD2-NE 3.24Å; D949-R1104 PolarHBondContact OD2-NE 2.89Å; D949-R1104 IonicContact OD2-NH2 3.46Å; R1104-V1106 HydrophobicContact CG-CB 4.48Å; R1104-V1106 HydrophobicContact CG-CG1 4.15Å; R1104-V1106 HydrophobicContact CG-CG2 4.13Å
1105	T	84.4	Confident	82.1	Confident	13.4 Å²	13.4	38 Å²	38	8%	0.082	20%	0.198	C	C	.	.			trans	-114	74.5	-177.5	52.4	0	0	0	0	110.9	P1060 V1061 I1099 S1100 A1103	P1060-T1105 CarbonylContact C-O 3.59Å; V1061-T1105 WeakPolarHBondContact CG2-O 3.3Å; V1061-T1105 PolarHBondContact N-O 3.1Å; V1061-T1105 VanDerWaalsContact N-O 3.08Å; I1099-T1105 HydrophobicContact CB-CG2 4.41Å; I1099-T1105 HydrophobicContact CG1-CG2 4.06Å; I1099-T1105 HydrophobicContact CG2-CG2 4.03Å; S1100-T1105 VanDerWaalsContact O-CG2 3.29Å; S1100-T1105 WeakPolarHBondContact O-CG2 3.3Å; A1103-T1105 PolarHBondContact O-N 3Å
1106	V	88.2	Confident	83.9	Confident	32.4 Å²	32.4	37.5 Å²	37.5	20%	0.196	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	157.2	-179.6	-61.6	0	0	0	0	111.6	D949 R1058 F1059 R1104	D949-V1106 HydrophobicContact CB-CG1 4.17Å; D949-V1106 VanDerWaalsContact CG-CG1 3.45Å; D949-V1106 WeakPolarHBondContact OD1-CG1 3.41Å; D949-V1106 WeakPolarHBondContact OD2-CG1 3.31Å; R1058-V1106 HydrophobicContact CB-CB 4.36Å; R1058-V1106 HydrophobicContact CB-CG1 4.18Å; F1059-V1106 CarbonylContact O-C 3.55Å; F1059-V1106 VanDerWaalsContact O-CA 3.26Å; F1059-V1106 WeakPolarHBondContact O-CA 3.37Å; F1059-V1106 WeakPolarHBondContact O-CB 3.28Å; R1104-V1106 HydrophobicContact CG-CB 4.48Å; R1104-V1106 HydrophobicContact CG-CG1 4.15Å; R1104-V1106 HydrophobicContact CG-CG2 4.13Å
1107	R	88.2	Confident	85.5	Confident	23 Å²	23	42.4 Å²	42.4	9%	0.087	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	158.2	166.3	-57.9	-65.3	-170.4	176.3	3.7	110.1	F1059 V1061 S1095 E1109 D1362 E1800	F1059-R1107 HydrophobicContact CB-CB 4.19Å; F1059-R1107 HydrophobicContact CB-CG 4.02Å; F1059-R1107 PolarHBondContact O-N 2.97Å; V1061-R1107 HydrophobicContact CG2-CG 4.43Å; S1095-R1107 PolarHBondContact OG-NH1 3.14Å; R1107-E1109 VanDerWaalsContact C-N 3.29Å; R1107-E1109 WeakPolarHBondContact CB-OE2 3.34Å; R1107-D1362 WeakPolarHBondContact CG-OD2 3.33Å; R1107-D1362 IonicContact CZ-OD1 3.01Å; R1107-D1362 IonicContact CZ-OD2 2.87Å; R1107-D1362 IonicContact NE-OD1 3.07Å; R1107-D1362 PolarHBondContact NE-OD1 2.94Å; R1107-D1362 VanDerWaalsContact NE-OD1 3.1Å; R1107-D1362 IonicContact NE-OD2 2.99Å; R1107-D1362 PolarHBondContact NE-OD2 2.84Å; R1107-D1362 IonicContact NH2-OD1 3.08Å; R1107-D1362 PolarHBondContact NH2-OD1 3.18Å; R1107-D1362 IonicContact NH2-OD2 3.24Å; R1107-D1362 PolarHBondContact NH2-OD2 2.93Å; R1107-E1800 IonicContact CZ-OE2 3.78Å; R1107-E1800 IonicContact NH1-OE1 3.41Å; R1107-E1800 IonicContact NH1-OE2 3.51Å; R1107-E1800 PolarHBondContact NH1-OE2 3.42Å; R1107-E1800 IonicContact NH2-OE2 3.73Å; R1107-E1800 PolarHBondContact NH2-OE2 2.83Å
1108	K	86.7	Confident	86.8	Confident	103.6 Å²	103.6	36.7 Å²	36.7	45%	0.45	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-28.1	174	-68.9	-169.7	168.2	-159.8	0	112.1	N1179 D1180 D1181	K1108-N1179 VanDerWaalsContact CB-OD1 3.26Å; K1108-N1179 WeakPolarHBondContact CB-OD1 3.26Å; K1108-N1179 WeakPolarHBondContact O-CA 3.28Å; K1108-N1179 PolarHBondContact O-OD1 2.84Å; K1108-D1180 WeakPolarHBondContact CA-OD2 3.43Å; K1108-D1180 PolarHBondContact O-N 3.12Å; K1108-D1180 VanDerWaalsContact O-N 3.11Å; K1108-D1181 WeakPolarHBondContact CD-OD2 3.44Å; K1108-D1181 IonicContact NZ-OD1 2.97Å; K1108-D1181 PolarHBondContact NZ-OD1 3.06Å; K1108-D1181 VanDerWaalsContact NZ-OD1 3.09Å; K1108-D1181 IonicContact NZ-OD2 3.3Å; K1108-D1181 PolarHBondContact NZ-OD2 2.87Å
1109	E	87.6	Confident	87.7	Confident	35.4 Å²	35.4	40.2 Å²	40.2	17%	0.165	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	141.5	178.4	-48.1	94.7	131.6	0	0	110.3	F1059 R1107 L1177 A1178 N1179 L1354 R1358	F1059-E1109 HydrophobicContact CD2-CB 4.43Å; F1059-E1109 VanDerWaalsContact CD2-O 3.29Å; F1059-E1109 WeakPolarHBondContact CD2-O 3.38Å; R1107-E1109 VanDerWaalsContact C-N 3.29Å; R1107-E1109 WeakPolarHBondContact CB-OE2 3.34Å; E1109-L1177 HydrophobicContact CB-CD1 4.47Å; E1109-A1178 CarbonylContact C-O 3.56Å; E1109-A1178 VanDerWaalsContact CA-O 3.28Å; E1109-A1178 WeakPolarHBondContact CA-O 3.39Å; E1109-N1179 HydrophobicContact CG-CB 4.4Å; E1109-L1354 HydrophobicContact CG-CD1 4.48Å; E1109-L1354 HydrophobicContact CG-CD2 4.26Å; E1109-L1354 WeakPolarHBondContact OE1-CD1 3.43Å; E1109-R1358 VanDerWaalsContact CD-NH2 3.35Å; E1109-R1358 IonicContact OE1-CZ 3.35Å; E1109-R1358 VanDerWaalsContact OE1-CZ 3.31Å; E1109-R1358 IonicContact OE1-NE 3.14Å; E1109-R1358 PolarHBondContact OE1-NE 3.2Å; E1109-R1358 VanDerWaalsContact OE1-NE 3.14Å; E1109-R1358 IonicContact OE1-NH2 3.54Å; E1109-R1358 PolarHBondContact OE1-NH2 3.1Å; E1109-R1358 IonicContact OE2-CZ 3.26Å; E1109-R1358 IonicContact OE2-NE 3.8Å; E1109-R1358 PolarHBondContact OE2-NE 2.83Å; E1109-R1358 IonicContact OE2-NH2 3.42Å; E1109-R1358 PolarHBondContact OE2-NH2 2.75Å
1110	Y	90.5	Very high	88.2	Confident	30.6 Å²	30.6	42.2 Å²	42.2	12%	0.12	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	157.3	179.9	64.9	-86.2	0	0	0	111.4	N1056 L1057 R1058 A1178	N1056-Y1110 HydrophobicContact CB-CD2 3.97Å; N1056-Y1110 HydrophobicContact CB-CE2 4.15Å; N1056-Y1110 WeakPolarHBondContact OD1-CE2 3.46Å; L1057-Y1110 WeakPolarHBondContact O-CA 3.28Å; L1057-Y1110 VanDerWaalsContact O-CB 3.3Å; L1057-Y1110 WeakPolarHBondContact O-CB 3.36Å; R1058-Y1110 VanDerWaalsContact CD-CB 3.48Å; R1058-Y1110 VanDerWaalsContact NH1-CD1 3.29Å; Y1110-A1178 HydrophobicContact CD1-CB 4.22Å; Y1110-A1178 HydrophobicContact CD2-CB 4.09Å; Y1110-A1178 HydrophobicContact CE1-CB 3.75Å; Y1110-A1178 HydrophobicContact CE2-CB 3.6Å; Y1110-A1178 HydrophobicContact CG-CB 4.37Å; Y1110-A1178 VanDerWaalsContact CZ-CB 3.44Å; Y1110-A1178 PolarHBondContact N-O 2.93Å; Y1110-A1178 PolarHBondContact O-N 3.21Å
1111	L	91	Very high	88.2	Confident	16.8 Å²	16.8	43.4 Å²	43.4	9%	0.088	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.1	178.2	-148.7	88.3	0	0	0	109.3	N1056 L1057 F1059 I1113 V1175 H1176 L1177 L1355 L1359	N1056-L1111 CarbonylContact C-O 3.49Å; N1056-L1111 WeakPolarHBondContact CA-O 3.38Å; L1057-L1111 HydrophobicContact CB-CB 4.38Å; L1057-L1111 PolarHBondContact N-O 3Å; L1057-L1111 PolarHBondContact O-N 3.07Å; F1059-L1111 HydrophobicContact CE1-CD1 4.31Å; F1059-L1111 HydrophobicContact CE2-CB 4.41Å; F1059-L1111 HydrophobicContact CE2-CG 4.21Å; F1059-L1111 HydrophobicContact CZ-CB 4Å; F1059-L1111 HydrophobicContact CZ-CD1 3.73Å; F1059-L1111 HydrophobicContact CZ-CG 3.65Å; L1111-I1113 HydrophobicContact CD2-CD1 4.1Å; L1111-I1113 HydrophobicContact CD2-CG1 4.15Å; L1111-I1113 HydrophobicContact CG-CG1 4.23Å; L1111-V1175 HydrophobicContact CD1-CG1 3.5Å; L1111-V1175 VanDerWaalsContact CD1-CG1 3.48Å; L1111-V1175 HydrophobicContact CD2-CG1 3.97Å; L1111-V1175 HydrophobicContact CG-CG1 3.65Å; L1111-H1176 WeakPolarHBondContact CA-O 3.41Å; L1111-L1177 HydrophobicContact CD2-CB 4.36Å; L1111-L1177 HydrophobicContact CD2-CD1 3.94Å; L1111-L1355 HydrophobicContact CD1-CD1 4.21Å; L1111-L1355 HydrophobicContact CD2-CD2 3.85Å; L1111-L1359 HydrophobicContact CD1-CD2 3.99Å
1112	S	91.2	Very high	88.2	Confident	1.4 Å²	1.4	45 Å²	45	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.9	175.3	-170.1	0	0	0	0	109.6	N1056 F1114 V1175 H1176	N1056-S1112 WeakPolarHBondContact OD1-CA 3.34Å; N1056-S1112 WeakPolarHBondContact OD1-CB 3.21Å; N1056-S1112 PolarHBondContact OD1-OG 3.18Å; S1112-F1114 WeakPolarHBondContact OG-CE2 3.26Å; S1112-V1175 WeakPolarHBondContact O-CA 3.41Å; S1112-H1176 PolarHBondContact N-O 3.12Å; S1112-H1176 PolarHBondContact O-N 3.09Å
1113	I	92.6	Very high	87.8	Confident	30.6 Å²	30.6	45.9 Å²	45.9	16%	0.157	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.8	-178.1	-54.7	169.2	0	0	0	108.3	E1054 L1055 L1111 M1115 I1173 S1174 V1175	E1054-I1113 WeakPolarHBondContact CA-O 3.2Å; L1055-I1113 HydrophobicContact CB-CB 4.34Å; L1055-I1113 HydrophobicContact CD2-CD1 4.36Å; L1055-I1113 PolarHBondContact N-O 3.09Å; L1055-I1113 PolarHBondContact O-N 3.01Å; L1111-I1113 HydrophobicContact CD2-CD1 4.1Å; L1111-I1113 HydrophobicContact CD2-CG1 4.15Å; L1111-I1113 HydrophobicContact CG-CG1 4.23Å; I1113-M1115 HydrophobicContact CG2-CE 3.93Å; I1113-M1115 HydrophobicContact CG2-CG 4.25Å; I1113-M1115 HydrophobicContact CG2-SD 4.49Å; I1113-I1173 HydrophobicContact CG2-CG2 3.91Å; I1113-S1174 CarbonylContact C-O 3.58Å; I1113-S1174 WeakPolarHBondContact CA-O 3.42Å; I1113-V1175 HydrophobicContact CG1-CG1 4.29Å; I1113-V1175 HydrophobicContact CG1-CG2 4.38Å; I1113-V1175 HydrophobicContact CG2-CG2 4.37Å
1114	F	92.2	Very high	86.9	Confident	22.6 Å²	22.6	47.7 Å²	47.7	10%	0.099	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.9	178.5	-104.9	-86.7	0	0	0	110.5	L888 S1052 F1053 E1054 S1112 K1116 I1173 S1174 H1176	L888-F1114 HydrophobicContact CD1-CZ 4.24Å; L888-F1114 HydrophobicContact CD2-CD2 4.31Å; L888-F1114 HydrophobicContact CD2-CE1 4.16Å; L888-F1114 HydrophobicContact CD2-CE2 4.06Å; L888-F1114 HydrophobicContact CD2-CZ 3.68Å; S1052-F1114 WeakPolarHBondContact OG-CE1 3.45Å; S1052-F1114 VanDerWaalsContact OG-CE2 3.22Å; S1052-F1114 WeakPolarHBondContact OG-CE2 3.36Å; S1052-F1114 WeakPolarHBondContact OG-CZ 3.4Å; F1053-F1114 CarbonylContact O-C 3.56Å; F1053-F1114 WeakPolarHBondContact O-CA 3.29Å; E1054-F1114 HydrophobicContact CB-CD1 3.96Å; E1054-F1114 HydrophobicContact CB-CD2 4.1Å; E1054-F1114 HydrophobicContact CB-CE1 3.85Å; E1054-F1114 HydrophobicContact CB-CE2 4.43Å; E1054-F1114 HydrophobicContact CB-CZ 4.49Å; E1054-F1114 VanDerWaalsContact CD-CE1 3.48Å; E1054-F1114 VanDerWaalsContact CD-CZ 3.41Å; E1054-F1114 HydrophobicContact CG-CD1 3.96Å; E1054-F1114 HydrophobicContact CG-CD2 4.24Å; E1054-F1114 HydrophobicContact CG-CE1 3.51Å; E1054-F1114 VanDerWaalsContact CG-CE1 3.42Å; E1054-F1114 HydrophobicContact CG-CE2 4.35Å; E1054-F1114 HydrophobicContact CG-CG 4.48Å; E1054-F1114 HydrophobicContact CG-CZ 3.76Å; E1054-F1114 WeakPolarHBondContact OE2-CE1 3.33Å; S1112-F1114 WeakPolarHBondContact OG-CE2 3.26Å; F1114-K1116 HydrophobicContact CD1-CG 4.29Å; F1114-K1116 HydrophobicContact CE1-CD 3.9Å; F1114-K1116 HydrophobicContact CE1-CG 3.67Å; F1114-K1116 HydrophobicContact CZ-CD 4.3Å; F1114-K1116 HydrophobicContact CZ-CG 4.12Å; F1114-I1173 CarbonylContact O-C 3.57Å; F1114-I1173 VanDerWaalsContact O-CA 3.28Å; F1114-I1173 WeakPolarHBondContact O-CA 3.41Å; F1114-S1174 WeakPolarHBondContact CB-OG 3.24Å; F1114-S1174 PolarHBondContact N-O 2.85Å; F1114-S1174 PolarHBondContact O-N 3.11Å; F1114-S1174 PolarHBondContact O-OG 3.1Å; F1114-H1176 AromaticContact CD2-CD2 3.86Å
1115	M	91.6	Very high	85.4	Confident	29.4 Å²	29.4	48 Å²	48	15%	0.145	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.7	-178.4	-62.8	-176.2	-118.5	0	0	110.3	S1052 F1053 L1055 I1113 I1118 I1170 S1172 I1173	S1052-M1115 CarbonylContact C-O 3.55Å; S1052-M1115 VanDerWaalsContact CA-O 3.29Å; S1052-M1115 WeakPolarHBondContact CA-O 3.32Å; S1052-M1115 PolarHBondContact OG-O 3.33Å; F1053-M1115 HydrophobicContact CB-CB 4.43Å; F1053-M1115 HydrophobicContact CD1-CB 4.39Å; F1053-M1115 HydrophobicContact CD1-CE 3.56Å; F1053-M1115 VanDerWaalsContact CD1-CE 3.49Å; F1053-M1115 HydrophobicContact CD1-CG 4.3Å; F1053-M1115 HydrophobicContact CD1-SD 4.09Å; F1053-M1115 HydrophobicContact CE1-CE 3.53Å; F1053-M1115 HydrophobicContact CE1-SD 4.22Å; F1053-M1115 PolarHBondContact N-O 3.26Å; F1053-M1115 PolarHBondContact O-N 3.14Å; L1055-M1115 HydrophobicContact CB-CE 4.36Å; L1055-M1115 HydrophobicContact CD2-CE 4.36Å; I1113-M1115 HydrophobicContact CG2-CE 3.93Å; I1113-M1115 HydrophobicContact CG2-CG 4.25Å; I1113-M1115 HydrophobicContact CG2-SD 4.49Å; M1115-I1118 HydrophobicContact CB-CD1 3.69Å; M1115-I1118 HydrophobicContact CB-CG1 4.14Å; M1115-I1118 HydrophobicContact SD-CD1 4.44Å; M1115-I1170 HydrophobicContact CB-CG2 4.4Å; M1115-I1170 HydrophobicContact SD-CD1 4.25Å; M1115-S1172 WeakPolarHBondContact CA-O 3.37Å; M1115-I1173 HydrophobicContact CG-CB 4.41Å; M1115-I1173 HydrophobicContact CG-CD1 4.5Å; M1115-I1173 HydrophobicContact CG-CG1 4.11Å; M1115-I1173 HydrophobicContact CG-CG2 4.12Å
1116	K	90.5	Very high	83.7	Confident	80.8 Å²	80.8	53.6 Å²	53.6	35%	0.351	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.4	-177.8	-67.8	178.6	175.8	172.5	0	112	F1114 G1171 S1172	F1114-K1116 HydrophobicContact CD1-CG 4.29Å; F1114-K1116 HydrophobicContact CE1-CD 3.9Å; F1114-K1116 HydrophobicContact CE1-CG 3.67Å; F1114-K1116 HydrophobicContact CZ-CD 4.3Å; F1114-K1116 HydrophobicContact CZ-CG 4.12Å; K1116-G1171 WeakPolarHBondContact O-CA 3.36Å; K1116-G1171 PolarHBondContact O-N 3.13Å; K1116-S1172 PolarHBondContact N-O 3.16Å; K1116-S1172 PolarHBondContact O-N 3.15Å
1117	K	88.9	Confident	81.4	Confident	152.8 Å²	152.8	57.9 Å²	57.9	66%	0.664	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.4	62.9	179.1	-56.9	178.1	-179.2	177.6	0	112.2	Y1051 G1171	Y1051-K1117 PolarHBondContact O-N 3.03Å; K1117-G1171 PolarHBondContact O-N 3.2Å; K1117-G1171 VanDerWaalsContact O-N 3.16Å
1118	I	90.8	Very high	78.8	Confident	23.2 Å²	23.2	62.6 Å²	62.6	12%	0.119	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.1	-178.8	-56.1	169.7	0	0	0	109.4	K1049 C1050 F1053 M1115 L1168 I1169 I1170	K1049-I1118 CarbonylContact C-O 3.49Å; K1049-I1118 WeakPolarHBondContact CA-O 3.38Å; C1050-I1118 HydrophobicContact CB-CB 4.2Å; C1050-I1118 HydrophobicContact CB-CD1 4.43Å; C1050-I1118 PolarHBondContact N-O 3.14Å; C1050-I1118 PolarHBondContact O-N 2.8Å; F1053-I1118 HydrophobicContact CB-CD1 3.51Å; F1053-I1118 VanDerWaalsContact CB-CD1 3.48Å; F1053-I1118 HydrophobicContact CD1-CD1 4.13Å; F1053-I1118 HydrophobicContact CG-CD1 4.3Å; M1115-I1118 HydrophobicContact CB-CD1 3.69Å; M1115-I1118 HydrophobicContact CB-CG1 4.14Å; M1115-I1118 HydrophobicContact SD-CD1 4.44Å; I1118-L1168 HydrophobicContact CG2-CD1 3.54Å; I1118-L1168 VanDerWaalsContact CG2-CD1 3.45Å; I1118-I1169 CarbonylContact C-O 3.54Å; I1118-I1169 VanDerWaalsContact CA-O 3.31Å; I1118-I1169 WeakPolarHBondContact CA-O 3.39Å; I1118-I1170 HydrophobicContact CG1-CG2 4.45Å
1119	R	91.8	Very high	76.1	Confident	118 Å²	118	62.6 Å²	62.6	45%	0.445	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	110.5	169.4	-178.9	-175.9	172	156.4	2.2	109.9	V1048 K1049 T1121 E1167 I1169	V1048-R1119 CarbonylContact O-C 3.55Å; V1048-R1119 VanDerWaalsContact O-CA 3.27Å; V1048-R1119 WeakPolarHBondContact O-CA 3.36Å; K1049-R1119 HydrophobicContact CG-CG 4.31Å; R1119-T1121 HydrophobicContact CG-CG2 4.35Å; R1119-T1121 VanDerWaalsContact NH1-CG2 3.3Å; R1119-T1121 PolarHBondContact NH2-OG1 2.86Å; R1119-E1167 IonicContact NH2-OE2 2.87Å; R1119-E1167 PolarHBondContact NH2-OE2 3.45Å; R1119-I1169 HydrophobicContact CB-CB 4.42Å; R1119-I1169 PolarHBondContact N-O 3.17Å; R1119-I1169 PolarHBondContact O-N 3.04Å
1120	L	90.5	Very high	73.2	Confident	43.8 Å²	43.8	66.3 Å²	66.3	23%	0.229	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.2	167.8	-173.3	68.6	0	0	0	109.2	T1047 V1048 L1166 E1167 L1168	T1047-L1120 CarbonylContact C-O 3.54Å; T1047-L1120 VanDerWaalsContact CA-O 3.28Å; T1047-L1120 WeakPolarHBondContact CA-O 3.39Å; V1048-L1120 HydrophobicContact CB-CB 4Å; V1048-L1120 HydrophobicContact CB-CD2 4.43Å; V1048-L1120 HydrophobicContact CG2-CB 4.44Å; V1048-L1120 HydrophobicContact CG2-CD2 4.22Å; V1048-L1120 PolarHBondContact N-O 3.02Å; V1048-L1120 PolarHBondContact O-N 3.2Å; L1120-L1166 HydrophobicContact CD1-CB 4.3Å; L1120-L1166 HydrophobicContact CD1-CD1 3.75Å; L1120-L1166 HydrophobicContact CD1-CD2 4.24Å; L1120-L1166 HydrophobicContact CD1-CG 3.72Å; L1120-L1166 HydrophobicContact CD2-CD1 4.02Å; L1120-L1166 HydrophobicContact CG-CD1 3.74Å; L1120-L1166 HydrophobicContact CG-CG 4.29Å; L1120-E1167 CarbonylContact C-O 3.54Å; L1120-E1167 WeakPolarHBondContact CA-O 3.21Å; L1120-L1168 HydrophobicContact CB-CD1 3.96Å; L1120-L1168 HydrophobicContact CD1-CB 3.94Å; L1120-L1168 HydrophobicContact CD1-CD1 4.07Å; L1120-L1168 HydrophobicContact CD1-CG 4.39Å
1121	T	86.3	Confident	70.2	Confident	31.6 Å²	31.6	73.3 Å²	73.3	19%	0.194	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	118.7	168.7	44.6	0	0	0	0	109.5	M1046 T1047 R1119 E1167	M1046-T1121 WeakPolarHBondContact O-CA 3.38Å; T1047-T1121 HydrophobicContact CG2-CG2 4.01Å; R1119-T1121 HydrophobicContact CG-CG2 4.35Å; R1119-T1121 VanDerWaalsContact NH1-CG2 3.3Å; R1119-T1121 PolarHBondContact NH2-OG1 2.86Å; T1121-E1167 PolarHBondContact N-O 3.02Å; T1121-E1167 PolarHBondContact O-N 2.98Å; T1121-E1167 VanDerWaalsContact O-N 3.16Å; T1121-E1167 PolarHBondContact OG1-O 3.14Å
1122	F	82.6	Confident	67.3	Low	43 Å²	43	80.2 Å²	80.2	19%	0.189	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.3	170.5	176.1	-102.4	0	0	0	108.2	N1045 M1046 N1124 Q1164 L1166	N1045-F1122 CarbonylContact C-O 3.55Å; N1045-F1122 VanDerWaalsContact CA-O 3.32Å; N1045-F1122 WeakPolarHBondContact CA-O 3.39Å; M1046-F1122 HydrophobicContact CB-CB 4.24Å; M1046-F1122 HydrophobicContact CB-CD1 4.39Å; M1046-F1122 PolarHBondContact N-O 3.16Å; M1046-F1122 PolarHBondContact O-N 2.88Å; F1122-N1124 HydrophobicContact CE1-CB 3.95Å; F1122-N1124 HydrophobicContact CZ-CB 4.18Å; F1122-Q1164 HydrophobicContact CE2-CB 4.33Å; F1122-Q1164 HydrophobicContact CE2-CG 4.37Å; F1122-Q1164 HydrophobicContact CZ-CB 4.45Å; F1122-Q1164 HydrophobicContact CZ-CG 4.19Å; F1122-L1166 HydrophobicContact CB-CD1 3.65Å; F1122-L1166 HydrophobicContact CB-CD2 4.14Å; F1122-L1166 HydrophobicContact CD2-CD1 3.95Å; F1122-L1166 HydrophobicContact CD2-CD2 3.88Å; F1122-L1166 VanDerWaalsContact CD2-CD2 3.41Å; F1122-L1166 HydrophobicContact CD2-CG 4Å; F1122-L1166 HydrophobicContact CE2-CD2 4.33Å; F1122-L1166 HydrophobicContact CG-CD1 4.29Å; F1122-L1166 HydrophobicContact CG-CD2 4.03Å
1123	D	70.2	Confident	64.3	Low	54.8 Å²	54.8	87.9 Å²	87.9	29%	0.293	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	109.5	-176.3	175.8	-1.6	0	0	0	108.7	N1045 S1125 K1126 E1165	N1045-D1123 WeakPolarHBondContact OD1-CA 3.29Å; N1045-D1123 PolarHBondContact OD1-OD1 2.92Å; N1045-D1123 VanDerWaalsContact OD1-OD1 3.09Å; D1123-S1125 VanDerWaalsContact C-N 3.3Å; D1123-S1125 PolarHBondContact O-N 3.04Å; D1123-S1125 WeakPolarHBondContact OD1-CA 3.16Å; D1123-S1125 VanDerWaalsContact OD1-CB 3.26Å; D1123-S1125 WeakPolarHBondContact OD1-CB 3.33Å; D1123-S1125 PolarHBondContact OD1-N 2.98Å; D1123-S1125 PolarHBondContact OD1-OG 2.98Å; D1123-K1126 IonicContact OD1-NZ 3.61Å; D1123-K1126 PolarHBondContact OD1-NZ 3.26Å; D1123-K1126 VanDerWaalsContact OD2-CE 3.27Å; D1123-K1126 WeakPolarHBondContact OD2-CE 3.34Å; D1123-K1126 IonicContact OD2-NZ 3.4Å; D1123-K1126 PolarHBondContact OD2-NZ 3.07Å; D1123-E1165 PolarHBondContact N-O 3.08Å; D1123-E1165 VanDerWaalsContact N-O 3.1Å
1124	N	65.4	Low	61.4	Low	64.8 Å²	64.8	92 Å²	92	35%	0.347	47%	0.471	S	S	.	.			trans	-100	20.3	-178.7	-161.1	25.9	0	0	0	112.3	T1044 F1122 K1126	T1044-N1124 PolarHBondContact O-N 2.77Å; T1044-N1124 PolarHBondContact OG1-ND2 2.89Å; F1122-N1124 HydrophobicContact CE1-CB 3.95Å; F1122-N1124 HydrophobicContact CZ-CB 4.18Å; N1124-K1126 VanDerWaalsContact C-N 3.34Å
1125	S	52.8	Low	58.3	Low	56.6 Å²	56.6	101.1 Å²	101.1	40%	0.396	51%	0.511	S	S	.	.			trans	-96.9	7.1	-172.1	71.3	0	0	0	0	115.3	S1043 D1123 E1127	S1043-S1125 VanDerWaalsContact CB-CA 3.46Å; S1043-S1125 VanDerWaalsContact CB-CB 3.48Å; D1123-S1125 VanDerWaalsContact C-N 3.3Å; D1123-S1125 PolarHBondContact O-N 3.04Å; D1123-S1125 WeakPolarHBondContact OD1-CA 3.16Å; D1123-S1125 VanDerWaalsContact OD1-CB 3.26Å; D1123-S1125 WeakPolarHBondContact OD1-CB 3.33Å; D1123-S1125 PolarHBondContact OD1-N 2.98Å; D1123-S1125 PolarHBondContact OD1-OG 2.98Å; S1125-E1127 PolarHBondContact O-N 2.79Å
1126	K	47.9	Very low	55.3	Low	129.4 Å²	129.4	103 Å²	103	56%	0.563	54%	0.538	S	S	*	.			trans	-105.1	68.8	-169.6	-67.9	-178.6	-174.6	129	0	114.9	D1123 N1124 L1128 E1165	D1123-K1126 IonicContact OD1-NZ 3.61Å; D1123-K1126 PolarHBondContact OD1-NZ 3.26Å; D1123-K1126 VanDerWaalsContact OD2-CE 3.27Å; D1123-K1126 WeakPolarHBondContact OD2-CE 3.34Å; D1123-K1126 IonicContact OD2-NZ 3.4Å; D1123-K1126 PolarHBondContact OD2-NZ 3.07Å; N1124-K1126 VanDerWaalsContact C-N 3.34Å; K1126-L1128 HydrophobicContact CB-CB 4.15Å; K1126-L1128 HydrophobicContact CB-CG 4.11Å; K1126-L1128 HydrophobicContact CG-CD1 4.22Å; K1126-L1128 PolarHBondContact O-N 2.84Å; K1126-E1165 IonicContact NZ-OE1 3.11Å; K1126-E1165 PolarHBondContact NZ-OE1 3.44Å; K1126-E1165 IonicContact NZ-OE2 2.69Å; K1126-E1165 PolarHBondContact NZ-OE2 3.06Å
1127	E	39.9	Very low	52.4	Low	123 Å²	123	110.8 Å²	110.8	58%	0.575	57%	0.566	S	S	*	*			trans	-90.8	112.3	154.4	-129.3	-167.9	-169.5	0	0	110.1	S1125 S1129 G1161 N1162	S1125-E1127 PolarHBondContact O-N 2.79Å; E1127-S1129 VanDerWaalsContact C-N 3.3Å; E1127-S1129 PolarHBondContact O-N 2.85Å; E1127-G1161 WeakPolarHBondContact OE1-CA 3.15Å; E1127-G1161 PolarHBondContact OE1-N 3.11Å; E1127-N1162 PolarHBondContact OE2-N 3.01Å
1128	L	34.6	Very low	49.5	Very low	121.6 Å²	121.6	108.5 Å²	108.5	64%	0.637	57%	0.569	S	S	*	*			trans	-114	72.2	-177	-100.3	147.1	0	0	0	114	K1126 S1130	K1126-L1128 HydrophobicContact CB-CB 4.15Å; K1126-L1128 HydrophobicContact CB-CG 4.11Å; K1126-L1128 HydrophobicContact CG-CD1 4.22Å; K1126-L1128 PolarHBondContact O-N 2.84Å; L1128-S1130 PolarHBondContact O-N 3.32Å
1129	S	29.6	Very low	46.6	Very low	105.2 Å²	105.2	114.7 Å²	114.7	74%	0.736	60%	0.602	S	S	*	*			trans	-82.9	86	159.3	68.9	0	0	0	0	113	E1127 K1131	E1127-S1129 VanDerWaalsContact C-N 3.3Å; E1127-S1129 PolarHBondContact O-N 2.85Å; S1129-K1131 PolarHBondContact O-N 3.27Å
1130	S	27	Very low	43.7	Very low	112.2 Å²	112.2	116.5 Å²	116.5	79%	0.785	62%	0.621	S	S	*	*	S	Bend	trans	-56.4	86.9	174.9	56.1	0	0	0	0	113.5	L1128 L1132	L1128-S1130 PolarHBondContact O-N 3.32Å; S1130-L1132 PolarHBondContact O-N 3.34Å
1131	K	27.5	Very low	40.7	Very low	178 Å²	178	125.5 Å²	125.5	77%	0.774	65%	0.652	S	S	*	*			trans	-115.9	71.8	168.4	-88.8	-173.8	179.2	175.8	0	112.7	S1129 Q1133	S1129-K1131 PolarHBondContact O-N 3.27Å; K1131-Q1133 PolarHBondContact O-N 2.93Å
1132	L	30.1	Very low	38.1	Very low	160.4 Å²	160.4	131.6 Å²	131.6	84%	0.84	68%	0.682	S	S	*	*			trans	-75.3	88.7	146.3	-93.1	131.7	0	0	0	108.7	S1130 P1134	S1130-L1132 PolarHBondContact O-N 3.34Å; L1132-P1134 WeakPolarHBondContact O-CD 3.27Å
1133	Q	28.5	Very low	35.6	Very low	164 Å²	164	137.3 Å²	137.3	77%	0.766	71%	0.709	S	S	*	*			trans	-86.9	126.7	158.7	-107	-174.2	0	0	0	107.6	K1131 F1135	K1131-Q1133 PolarHBondContact O-N 2.93Å; Q1133-F1135 PolarHBondContact O-N 3.12Å; Q1133-F1135 VanDerWaalsContact O-N 3.12Å
1134	P	30.1	Very low	33.6	Very low	116.2 Å²	116.2	141.2 Å²	141.2	76%	0.755	73%	0.73	S	S	*	*			trans	-65.5	133.4	177.6	7.8	-6.5	0	0	0	110.6	L1132 G1136	L1132-P1134 WeakPolarHBondContact O-CD 3.27Å; P1134-G1136 VanDerWaalsContact C-N 3.27Å; P1134-G1136 PolarHBondContact O-N 3.01Å
1135	F	28.7	Very low	31.9	Very low	213.6 Å²	213.6	145.1 Å²	145.1	94%	0.937	75%	0.749	S	S	*	*	S	Bend	trans	-54.6	108.1	175.1	-87.9	-92.7	0	0	0	111.8	Q1133	Q1133-F1135 PolarHBondContact O-N 3.12Å; Q1133-F1135 VanDerWaalsContact O-N 3.12Å
1136	G	28.4	Very low	30.8	Very low	69 Å²	69	147.9 Å²	147.9	71%	0.711	77%	0.765	S	S	*	*			trans	-169.1	67.3	-178	0	0	0	0	0	114	P1134	P1134-G1136 VanDerWaalsContact C-N 3.27Å; P1134-G1136 PolarHBondContact O-N 3.01Å
1137	R	28	Very low	29.9	Very low	246 Å²	246	151.4 Å²	151.4	93%	0.928	78%	0.78	S	S	*	*			trans	-112.1	118.5	162.2	-95.9	177.9	-179.7	-168.4	-1.3	114.4
1138	S	30	Very low	29.2	Very low	104.6 Å²	104.6	150.9 Å²	150.9	73%	0.731	79%	0.79	S	S	*	*			trans	-101.9	135.8	138	46.8	0	0	0	0	112.7	D1140	S1138-D1140 PolarHBondContact O-N 3.16Å
1139	N	28.1	Very low	28.9	Very low	153.4 Å²	153.4	154.6 Å²	154.6	82%	0.82	80%	0.801	S	S	*	*			trans	20.3	131.4	153.7	-63.3	-19.4	0	0	0	116.4
1140	D	32.1	Very low	28.8	Very low	155.2 Å²	155.2	156.8 Å²	156.8	83%	0.83	80%	0.803	S	S	*	*			trans	-136.3	134.1	146.5	-104.7	-28	0	0	0	115.6	S1138 L1142	S1138-D1140 PolarHBondContact O-N 3.16Å; D1140-L1142 PolarHBondContact O-N 3.07Å
1141	R	27.9	Very low	28.7	Very low	232.8 Å²	232.8	156.9 Å²	156.9	88%	0.878	80%	0.802	S	S	*	*			trans	-87.9	117.4	156.7	-77.5	174.3	166.2	-173.9	-4.1	113.4
1142	L	30.1	Very low	28.6	Very low	159.2 Å²	159.2	152.7 Å²	152.7	83%	0.834	80%	0.795	S	S	*	*			trans	-126.7	135.9	134.9	-94.8	142.9	0	0	0	112	D1140	D1140-L1142 PolarHBondContact O-N 3.07Å
1143	Q	30.7	Very low	28.5	Very low	163.4 Å²	163.4	150 Å²	150	76%	0.764	79%	0.787	S	S	*	*			trans	-139.3	126.6	143.6	-71.9	176.1	3.6	0	0	113.4
1144	N	28.4	Very low	28.8	Very low	137.4 Å²	137.4	148.9 Å²	148.9	74%	0.735	78%	0.78	S	S	*	*				132.3	128.3	125.1	-73.7	-30.1	0	0	0	114.8
1145	I	29.4	Very low	28.7	Very low	145 Å²	145	152.6 Å²	152.6	74%	0.744	78%	0.784	S	S	*	*				171.1	129	129	-78	164.8	0	0	0	111.5
1146	T	29.2	Very low	28.8	Very low	116.4 Å²	116.4	149.8 Å²	149.8	71%	0.714	78%	0.777	S	S	*	*				136.7	120	117.3	19.3	0	0	0	0	115.9
1147	K	29	Very low	28.8	Very low	203.8 Å²	203.8	149.2 Å²	149.2	89%	0.886	77%	0.771	S	S	*	*			trans	76.7	121.5	135.4	-75.9	167.2	-171.8	177.5	0	115.5	K1149	K1147-K1149 PolarHBondContact O-N 2.86Å
1148	S	27	Very low	28.8	Very low	112 Å²	112	146.9 Å²	146.9	78%	0.783	77%	0.768	S	S	*	*			trans	-72.3	120.4	156.8	154.4	0	0	0	0	112.9	I1150	S1148-I1150 PolarHBondContact O-N 2.98Å
1149	K	26.9	Very low	29.1	Very low	198.4 Å²	198.4	148.8 Å²	148.8	86%	0.863	77%	0.765	S	S	*	*			trans	-91.7	101.2	160.9	-114.1	-173.1	175.1	-177.1	0	109.8	K1147 C1151	K1147-K1149 PolarHBondContact O-N 2.86Å; K1149-C1151 PolarHBondContact O-N 3.36Å; K1149-C1151 VanDerWaalsContact O-N 3.1Å
1150	I	27.8	Very low	29.4	Very low	152.8 Å²	152.8	147.5 Å²	147.5	78%	0.784	76%	0.758	S	S	*	*			trans	-98.6	104.4	157.3	-70.2	161.9	0	0	0	105.5	S1148 S1152	S1148-I1150 PolarHBondContact O-N 2.98Å; I1150-S1152 PolarHBondContact O-N 2.85Å
1151	C	25.7	Very low	29.9	Very low	112.8 Å²	112.8	141.9 Å²	141.9	76%	0.762	74%	0.737	S	S	*	*			trans	-23.9	116.8	144	-80.4	0	0	0	0	111.1	K1149 P1153	K1149-C1151 PolarHBondContact O-N 3.36Å; K1149-C1151 VanDerWaalsContact O-N 3.1Å; C1151-P1153 WeakPolarHBondContact O-CD 3.47Å
1152	S	25.7	Very low	31	Very low	90.8 Å²	90.8	135.7 Å²	135.7	64%	0.635	72%	0.721	S	S	*	*			trans	-80	125.7	164.4	51.2	0	0	0	0	109.7	I1150 F1154	I1150-S1152 PolarHBondContact O-N 2.85Å; S1152-F1154 PolarHBondContact O-N 3.25Å; S1152-F1154 VanDerWaalsContact O-N 3.09Å
1153	P	28.1	Very low	32.4	Very low	102.4 Å²	102.4	131.5 Å²	131.5	67%	0.665	70%	0.697	S	S	*	*			trans	-73.2	52	169.4	30.1	-32.5	0	0	0	112.3	C1151 K1155	C1151-P1153 WeakPolarHBondContact O-CD 3.47Å; P1153-K1155 VanDerWaalsContact C-N 3.26Å; P1153-K1155 PolarHBondContact O-N 2.9Å
1154	F	33.9	Very low	34.2	Very low	142 Å²	142	127.2 Å²	127.2	62%	0.623	68%	0.677	S	S	*	*			trans	-92.7	56.6	179.5	-68	-75.8	0	0	0	114.9	S1152 I1156 F1334	S1152-F1154 PolarHBondContact O-N 3.25Å; S1152-F1154 VanDerWaalsContact O-N 3.09Å; F1154-I1156 HydrophobicContact CB-CD1 4.21Å; F1154-I1156 HydrophobicContact CB-CG1 4.13Å; F1154-I1156 HydrophobicContact CD1-CD1 4.5Å; F1154-I1156 HydrophobicContact CD1-CG1 4.32Å; F1154-I1156 PolarHBondContact O-N 3.48Å; F1154-I1156 VanDerWaalsContact O-N 3.13Å; F1154-F1334 HydrophobicContact CE1-CE1 4.26Å; F1154-F1334 HydrophobicContact CZ-CE1 4.17Å
1155	K	28.6	Very low	36.4	Very low	194.6 Å²	194.6	125 Å²	125	85%	0.846	66%	0.662	S	S	*	*			trans	-120.3	53.1	159.1	-81.3	-164.7	174.6	-173	0	112	P1153	P1153-K1155 VanDerWaalsContact C-N 3.26Å; P1153-K1155 PolarHBondContact O-N 2.9Å
1156	I	30.4	Very low	39.1	Very low	153.4 Å²	153.4	119.9 Å²	119.9	79%	0.787	64%	0.636	S	S	*	*			trans	-115.8	122.5	171	-64.3	170	0	0	0	107.6	F1154	F1154-I1156 HydrophobicContact CB-CD1 4.21Å; F1154-I1156 HydrophobicContact CB-CG1 4.13Å; F1154-I1156 HydrophobicContact CD1-CD1 4.5Å; F1154-I1156 HydrophobicContact CD1-CG1 4.32Å; F1154-I1156 PolarHBondContact O-N 3.48Å; F1154-I1156 VanDerWaalsContact O-N 3.13Å
1157	G	28.3	Very low	41.9	Very low	56.2 Å²	56.2	116.8 Å²	116.8	58%	0.579	61%	0.614	S	S	*	*			trans	109.3	125.7	178.6	0	0	0	0	0	113.1	H1159	G1157-H1159 VanDerWaalsContact C-N 3.33Å; G1157-H1159 PolarHBondContact O-CD2 2.93Å; G1157-H1159 PolarHBondContact O-N 3.29Å
1158	K	28.8	Very low	44.9	Very low	199.2 Å²	199.2	108.9 Å²	108.9	87%	0.866	58%	0.581	S	S	*	*			trans	-72.5	94.5	159.1	-76.3	-179.1	173.9	-177.1	0	107.6	N1160	K1158-N1160 PolarHBondContact O-N 2.88Å; K1158-N1160 VanDerWaalsContact O-N 3.12Å
1159	H	36.2	Very low	48	Very low	144.2 Å²	144.2	105.4 Å²	105.4	67%	0.668	55%	0.553	S	S	*	*			trans	-81.5	117.1	164	-84	-93.6	0	0	0	108.6	G1157 G1161 E1163	G1157-H1159 VanDerWaalsContact C-N 3.33Å; G1157-H1159 PolarHBondContact O-CD2 2.93Å; G1157-H1159 PolarHBondContact O-N 3.29Å; H1159-G1161 PolarHBondContact O-N 3.04Å; H1159-E1163 IonicContact CE1-OE1 3.12Å; H1159-E1163 IonicContact CE1-OE2 2.7Å; H1159-E1163 IonicContact CG-OE1 3.08Å; H1159-E1163 IonicContact ND1-OE1 3.34Å; H1159-E1163 PolarHBondContact ND1-OE1 3.17Å; H1159-E1163 IonicContact ND1-OE2 3.42Å; H1159-E1163 PolarHBondContact ND1-OE2 3.47Å
1160	N	34.2	Very low	51	Low	126.4 Å²	126.4	96.1 Å²	96.1	68%	0.676	51%	0.513	S	S	*	.			trans	-79.1	101.1	169.7	-72.5	0.8	0	0	0	108.2	K1158 N1162	K1158-N1160 PolarHBondContact O-N 2.88Å; K1158-N1160 VanDerWaalsContact O-N 3.12Å; N1160-N1162 PolarHBondContact O-N 3.13Å
1161	G	41.1	Very low	53.9	Low	37 Å²	37	89.8 Å²	89.8	38%	0.381	49%	0.485	S	S	.	.			trans	-119.4	106.8	171.7	0	0	0	0	0	113.7	E1127 H1159 E1163	E1127-G1161 WeakPolarHBondContact OE1-CA 3.15Å; E1127-G1161 PolarHBondContact OE1-N 3.11Å; H1159-G1161 PolarHBondContact O-N 3.04Å; G1161-E1163 PolarHBondContact O-N 2.96Å
1162	N	52	Low	57	Low	102.4 Å²	102.4	85.2 Å²	85.2	55%	0.548	46%	0.455	S	S	.	.			trans	-82	54.9	172.8	-63.8	-11.3	0	0	0	112.6	Q1041 E1127 N1160 Q1164	Q1041-N1162 PolarHBondContact NE2-OD1 2.92Å; Q1041-N1162 PolarHBondContact OE1-ND2 3.17Å; Q1041-N1162 PolarHBondContact OE1-OD1 3.15Å; E1127-N1162 PolarHBondContact OE2-N 3.01Å; N1160-N1162 PolarHBondContact O-N 3.13Å; N1162-Q1164 PolarHBondContact O-N 3.12Å
1163	E	58.4	Low	60.2	Low	71.8 Å²	71.8	81.6 Å²	81.6	34%	0.336	43%	0.428	S	S	.	.			trans	-69.2	120.8	173.6	-69.4	-176.2	-164.9	0	0	110.4	H1159 G1161 R1208	H1159-E1163 IonicContact CE1-OE1 3.12Å; H1159-E1163 IonicContact CE1-OE2 2.7Å; H1159-E1163 IonicContact CG-OE1 3.08Å; H1159-E1163 IonicContact ND1-OE1 3.34Å; H1159-E1163 PolarHBondContact ND1-OE1 3.17Å; H1159-E1163 IonicContact ND1-OE2 3.42Å; H1159-E1163 PolarHBondContact ND1-OE2 3.47Å; G1161-E1163 PolarHBondContact O-N 2.96Å; E1163-R1208 IonicContact OE1-NH1 3.34Å; E1163-R1208 PolarHBondContact OE1-NH1 2.86Å; E1163-R1208 WeakPolarHBondContact OE2-CD 3.3Å; E1163-R1208 IonicContact OE2-CZ 3.49Å; E1163-R1208 IonicContact OE2-NE 3.33Å; E1163-R1208 IonicContact OE2-NH1 3.43Å; E1163-R1208 PolarHBondContact OE2-NH1 3.18Å
1164	Q	69.1	Low	63.2	Low	73.2 Å²	73.2	77.6 Å²	77.6	34%	0.342	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.6	177	-65.6	-177.3	15.3	0	0	110	H983 F1122 N1162 R1208 I1209	H983-Q1164 PolarHBondContact CE1-NE2 3.17Å; H983-Q1164 VanDerWaalsContact CE1-NE2 3.32Å; F1122-Q1164 HydrophobicContact CE2-CB 4.33Å; F1122-Q1164 HydrophobicContact CE2-CG 4.37Å; F1122-Q1164 HydrophobicContact CZ-CB 4.45Å; F1122-Q1164 HydrophobicContact CZ-CG 4.19Å; N1162-Q1164 PolarHBondContact O-N 3.12Å; Q1164-R1208 VanDerWaalsContact O-CA 3.3Å; Q1164-R1208 WeakPolarHBondContact O-CA 3.39Å; Q1164-I1209 PolarHBondContact N-O 3.28Å; Q1164-I1209 PolarHBondContact O-N 3Å; Q1164-I1209 VanDerWaalsContact O-N 3.14Å
1165	E	75.1	Confident	65.9	Low	90.2 Å²	90.2	71.7 Å²	71.7	42%	0.421	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.8	176.7	-156	179.4	-167	0	0	110.6	D1123 K1126 Y1206 I1207 R1208	D1123-E1165 PolarHBondContact N-O 3.08Å; D1123-E1165 VanDerWaalsContact N-O 3.1Å; K1126-E1165 IonicContact NZ-OE1 3.11Å; K1126-E1165 PolarHBondContact NZ-OE1 3.44Å; K1126-E1165 IonicContact NZ-OE2 2.69Å; K1126-E1165 PolarHBondContact NZ-OE2 3.06Å; E1165-Y1206 HydrophobicContact CG-CD1 4.44Å; E1165-Y1206 VanDerWaalsContact OE1-CD1 3.27Å; E1165-Y1206 WeakPolarHBondContact OE1-CD1 3.24Å; E1165-I1207 CarbonylContact C-O 3.56Å; E1165-I1207 WeakPolarHBondContact CA-O 3.33Å; E1165-R1208 HydrophobicContact CG-CG 4.39Å
1166	L	84.8	Confident	68.8	Low	38.2 Å²	38.2	63.7 Å²	63.7	20%	0.2	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.7	174.3	-74.1	103.9	0	0	0	109.5	L1120 F1122 Y1206 I1207	L1120-L1166 HydrophobicContact CD1-CB 4.3Å; L1120-L1166 HydrophobicContact CD1-CD1 3.75Å; L1120-L1166 HydrophobicContact CD1-CD2 4.24Å; L1120-L1166 HydrophobicContact CD1-CG 3.72Å; L1120-L1166 HydrophobicContact CD2-CD1 4.02Å; L1120-L1166 HydrophobicContact CG-CD1 3.74Å; L1120-L1166 HydrophobicContact CG-CG 4.29Å; F1122-L1166 HydrophobicContact CB-CD1 3.65Å; F1122-L1166 HydrophobicContact CB-CD2 4.14Å; F1122-L1166 HydrophobicContact CD2-CD1 3.95Å; F1122-L1166 HydrophobicContact CD2-CD2 3.88Å; F1122-L1166 VanDerWaalsContact CD2-CD2 3.41Å; F1122-L1166 HydrophobicContact CD2-CG 4Å; F1122-L1166 HydrophobicContact CE2-CD2 4.33Å; F1122-L1166 HydrophobicContact CG-CD1 4.29Å; F1122-L1166 HydrophobicContact CG-CD2 4.03Å; L1166-Y1206 CarbonylContact O-C 3.57Å; L1166-Y1206 WeakPolarHBondContact O-CA 3.35Å; L1166-I1207 HydrophobicContact CB-CB 4.27Å; L1166-I1207 HydrophobicContact CD1-CB 4.17Å; L1166-I1207 HydrophobicContact CD1-CG2 4.25Å; L1166-I1207 WeakPolarHBondContact CD1-O 3.4Å; L1166-I1207 PolarHBondContact N-O 3.11Å; L1166-I1207 PolarHBondContact O-N 2.91Å
1167	E	89.4	Confident	71.6	Confident	50.2 Å²	50.2	57.1 Å²	57.1	24%	0.235	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.1	170.8	-177.7	176.3	-138	0	0	109.8	R1119 L1120 T1121 I1169 K1204 Y1206	R1119-E1167 IonicContact NH2-OE2 2.87Å; R1119-E1167 PolarHBondContact NH2-OE2 3.45Å; L1120-E1167 CarbonylContact C-O 3.54Å; L1120-E1167 WeakPolarHBondContact CA-O 3.21Å; T1121-E1167 PolarHBondContact N-O 3.02Å; T1121-E1167 PolarHBondContact O-N 2.98Å; T1121-E1167 VanDerWaalsContact O-N 3.16Å; T1121-E1167 PolarHBondContact OG1-O 3.14Å; E1167-I1169 HydrophobicContact CG-CD1 4.35Å; E1167-I1169 HydrophobicContact CG-CG1 4.14Å; E1167-K1204 WeakPolarHBondContact OE1-CD 3.21Å; E1167-K1204 WeakPolarHBondContact OE1-CE 3.5Å; E1167-K1204 IonicContact OE1-NZ 2.72Å; E1167-K1204 PolarHBondContact OE1-NZ 2.91Å; E1167-K1204 IonicContact OE2-NZ 3.19Å; E1167-Y1206 HydrophobicContact CB-CD1 4.23Å; E1167-Y1206 HydrophobicContact CB-CE1 4.2Å; E1167-Y1206 HydrophobicContact CG-CD1 4.21Å; E1167-Y1206 HydrophobicContact CG-CE1 3.81Å; E1167-Y1206 WeakPolarHBondContact OE1-CE1 3.24Å; E1167-Y1206 PolarHBondContact OE1-OH 3.09Å; E1167-Y1206 VanDerWaalsContact OE1-OH 3.05Å
1168	L	90.9	Very high	74.3	Confident	38 Å²	38	54.6 Å²	54.6	20%	0.199	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.7	175.7	175.1	66.4	0	0	0	109.3	I1118 L1120 I1170 K1204 V1205	I1118-L1168 HydrophobicContact CG2-CD1 3.54Å; I1118-L1168 VanDerWaalsContact CG2-CD1 3.45Å; L1120-L1168 HydrophobicContact CB-CD1 3.96Å; L1120-L1168 HydrophobicContact CD1-CB 3.94Å; L1120-L1168 HydrophobicContact CD1-CD1 4.07Å; L1120-L1168 HydrophobicContact CD1-CG 4.39Å; L1168-I1170 HydrophobicContact CD1-CD1 4.21Å; L1168-I1170 HydrophobicContact CD1-CG1 3.88Å; L1168-I1170 HydrophobicContact CD2-CD1 4Å; L1168-I1170 HydrophobicContact CD2-CG1 4.38Å; L1168-I1170 HydrophobicContact CG-CD1 4.14Å; L1168-I1170 HydrophobicContact CG-CG1 4.05Å; L1168-K1204 CarbonylContact O-C 3.57Å; L1168-K1204 WeakPolarHBondContact O-CA 3.45Å; L1168-V1205 HydrophobicContact CB-CB 4.16Å; L1168-V1205 HydrophobicContact CD2-CB 4.38Å; L1168-V1205 HydrophobicContact CD2-CG2 4.38Å; L1168-V1205 PolarHBondContact N-O 3.09Å; L1168-V1205 PolarHBondContact O-N 3.15Å
1169	I	91.7	Very high	76.8	Confident	38.6 Å²	38.6	46.9 Å²	46.9	20%	0.198	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.8	179.4	-54.8	-176.7	0	0	0	108.8	I1118 R1119 E1167 P1202 I1203 K1204	I1118-I1169 CarbonylContact C-O 3.54Å; I1118-I1169 VanDerWaalsContact CA-O 3.31Å; I1118-I1169 WeakPolarHBondContact CA-O 3.39Å; R1119-I1169 HydrophobicContact CB-CB 4.42Å; R1119-I1169 PolarHBondContact N-O 3.17Å; R1119-I1169 PolarHBondContact O-N 3.04Å; E1167-I1169 HydrophobicContact CG-CD1 4.35Å; E1167-I1169 HydrophobicContact CG-CG1 4.14Å; I1169-P1202 HydrophobicContact CG2-CB 3.57Å; I1169-P1202 HydrophobicContact CG2-CG 3.82Å; I1169-I1203 CarbonylContact C-O 3.51Å; I1169-I1203 WeakPolarHBondContact CA-O 3.28Å; I1169-K1204 HydrophobicContact CG1-CG 4.44Å
1170	I	91.4	Very high	78.5	Confident	3.8 Å²	3.8	43.1 Å²	43.1	2%	0.019	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.9	-177.5	-51.7	169.5	0	0	0	109.5	M1115 I1118 L1168 S1172 I1173 I1203 V1205	M1115-I1170 HydrophobicContact CB-CG2 4.4Å; M1115-I1170 HydrophobicContact SD-CD1 4.25Å; I1118-I1170 HydrophobicContact CG1-CG2 4.45Å; L1168-I1170 HydrophobicContact CD1-CD1 4.21Å; L1168-I1170 HydrophobicContact CD1-CG1 3.88Å; L1168-I1170 HydrophobicContact CD2-CD1 4Å; L1168-I1170 HydrophobicContact CD2-CG1 4.38Å; L1168-I1170 HydrophobicContact CG-CD1 4.14Å; L1168-I1170 HydrophobicContact CG-CG1 4.05Å; I1170-S1172 WeakPolarHBondContact CG2-O 3.36Å; I1170-I1173 HydrophobicContact CB-CG1 4.48Å; I1170-I1173 HydrophobicContact CD1-CD1 3.91Å; I1170-I1173 HydrophobicContact CD1-CG1 4.38Å; I1170-I1173 HydrophobicContact CG2-CD1 4.37Å; I1170-I1173 HydrophobicContact CG2-CG1 3.78Å; I1170-I1203 HydrophobicContact CB-CB 4.2Å; I1170-I1203 HydrophobicContact CB-CG2 4.42Å; I1170-I1203 PolarHBondContact N-O 3.17Å; I1170-I1203 WeakPolarHBondContact O-CB 3.37Å; I1170-I1203 PolarHBondContact O-N 3.24Å; I1170-I1203 VanDerWaalsContact O-N 3.12Å; I1170-V1205 HydrophobicContact CD1-CG2 4.16Å
1171	G	88.1	Confident	80.1	Confident	19.4 Å²	19.4	42.2 Å²	42.2	20%	0.2	23%	0.232	C	C	.	.	S	Bend	trans	-83.4	-37.2	179.1	0	0	0	0	0	114.4	K1116 K1117 T1194	K1116-G1171 WeakPolarHBondContact O-CA 3.36Å; K1116-G1171 PolarHBondContact O-N 3.13Å; K1117-G1171 PolarHBondContact O-N 3.2Å; K1117-G1171 VanDerWaalsContact O-N 3.16Å; G1171-T1194 WeakPolarHBondContact O-CG2 3.28Å
1172	S	90.5	Very high	80.7	Confident	17.4 Å²	17.4	45.9 Å²	45.9	12%	0.122	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	152.7	171.3	62.2	0	0	0	0	111.1	M1115 K1116 I1170 F1192	M1115-S1172 WeakPolarHBondContact CA-O 3.37Å; K1116-S1172 PolarHBondContact N-O 3.16Å; K1116-S1172 PolarHBondContact O-N 3.15Å; I1170-S1172 WeakPolarHBondContact CG2-O 3.36Å; S1172-F1192 CarbonylContact C-O 3.47Å; S1172-F1192 VanDerWaalsContact CA-O 3.26Å; S1172-F1192 WeakPolarHBondContact CA-O 3.29Å; S1172-F1192 WeakPolarHBondContact CB-O 3.32Å
1173	I	92.3	Very high	80.9	Confident	15 Å²	15	48.1 Å²	48.1	8%	0.077	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.5	173.7	-52.1	174	0	0	0	107.8	I1113 F1114 M1115 I1170 V1175 Y1191 F1192 I1203	I1113-I1173 HydrophobicContact CG2-CG2 3.91Å; F1114-I1173 CarbonylContact O-C 3.57Å; F1114-I1173 VanDerWaalsContact O-CA 3.28Å; F1114-I1173 WeakPolarHBondContact O-CA 3.41Å; M1115-I1173 HydrophobicContact CG-CB 4.41Å; M1115-I1173 HydrophobicContact CG-CD1 4.5Å; M1115-I1173 HydrophobicContact CG-CG1 4.11Å; M1115-I1173 HydrophobicContact CG-CG2 4.12Å; I1170-I1173 HydrophobicContact CB-CG1 4.48Å; I1170-I1173 HydrophobicContact CD1-CD1 3.91Å; I1170-I1173 HydrophobicContact CD1-CG1 4.38Å; I1170-I1173 HydrophobicContact CG2-CD1 4.37Å; I1170-I1173 HydrophobicContact CG2-CG1 3.78Å; I1173-V1175 HydrophobicContact CG2-CG2 4.34Å; I1173-Y1191 CarbonylContact O-C 3.52Å; I1173-Y1191 WeakPolarHBondContact O-CA 3.4Å; I1173-Y1191 WeakPolarHBondContact O-CD2 3.25Å; I1173-F1192 HydrophobicContact CB-CB 4.13Å; I1173-F1192 HydrophobicContact CB-CD2 3.89Å; I1173-F1192 HydrophobicContact CB-CG 4.46Å; I1173-F1192 HydrophobicContact CD1-CD2 4.08Å; I1173-F1192 HydrophobicContact CG1-CB 4.49Å; I1173-F1192 HydrophobicContact CG1-CD2 4.41Å; I1173-F1192 HydrophobicContact CG2-CD2 4.19Å; I1173-F1192 PolarHBondContact N-O 3.31Å; I1173-F1192 VanDerWaalsContact N-O 3.12Å; I1173-F1192 PolarHBondContact O-N 3.11Å; I1173-I1203 HydrophobicContact CD1-CD1 4.44Å; I1173-I1203 HydrophobicContact CD1-CG2 4.43Å; I1173-I1203 HydrophobicContact CG1-CD1 4.16Å
1174	S	91.8	Very high	81	Confident	17.6 Å²	17.6	47.4 Å²	47.4	12%	0.123	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.7	171.2	57.8	0	0	0	0	110.4	I1113 F1114 H1176 V1190	I1113-S1174 CarbonylContact C-O 3.58Å; I1113-S1174 WeakPolarHBondContact CA-O 3.42Å; F1114-S1174 WeakPolarHBondContact CB-OG 3.24Å; F1114-S1174 PolarHBondContact N-O 2.85Å; F1114-S1174 PolarHBondContact O-N 3.11Å; F1114-S1174 PolarHBondContact O-OG 3.1Å; S1174-H1176 PolarHBondContact OG-NE2 3.2Å; S1174-V1190 CarbonylContact C-O 3.58Å; S1174-V1190 WeakPolarHBondContact CA-O 3.42Å
1175	V	91.9	Very high	80.8	Confident	19.6 Å²	19.6	46.3 Å²	46.3	12%	0.119	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.4	-175.5	-174.9	0	0	0	0	109.3	L1111 S1112 I1113 I1173 P1188 I1189 V1190	L1111-V1175 HydrophobicContact CD1-CG1 3.5Å; L1111-V1175 VanDerWaalsContact CD1-CG1 3.48Å; L1111-V1175 HydrophobicContact CD2-CG1 3.97Å; L1111-V1175 HydrophobicContact CG-CG1 3.65Å; S1112-V1175 WeakPolarHBondContact O-CA 3.41Å; I1113-V1175 HydrophobicContact CG1-CG1 4.29Å; I1113-V1175 HydrophobicContact CG1-CG2 4.38Å; I1113-V1175 HydrophobicContact CG2-CG2 4.37Å; I1173-V1175 HydrophobicContact CG2-CG2 4.34Å; V1175-P1188 CarbonylContact O-C 3.54Å; V1175-P1188 VanDerWaalsContact O-CA 3.3Å; V1175-P1188 WeakPolarHBondContact O-CA 3.41Å; V1175-P1188 WeakPolarHBondContact O-CB 3.27Å; V1175-I1189 PolarHBondContact O-N 3.27Å; V1175-V1190 HydrophobicContact CB-CB 4.09Å; V1175-V1190 HydrophobicContact CG2-CB 4.16Å; V1175-V1190 PolarHBondContact N-O 3.01Å; V1175-V1190 PolarHBondContact O-N 3.21Å
1176	H	89.1	Confident	80.2	Confident	25.8 Å²	25.8	46.7 Å²	46.7	12%	0.119	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.3	179	-58.2	-105.9	0	0	0	110.1	L1111 S1112 F1114 S1174 I1184 Q1185	L1111-H1176 WeakPolarHBondContact CA-O 3.41Å; S1112-H1176 PolarHBondContact N-O 3.12Å; S1112-H1176 PolarHBondContact O-N 3.09Å; F1114-H1176 AromaticContact CD2-CD2 3.86Å; S1174-H1176 PolarHBondContact OG-NE2 3.2Å; H1176-I1184 HydrophobicContact CB-CG2 3.59Å; H1176-I1184 VanDerWaalsContact CB-CG2 3.47Å; H1176-Q1185 PolarHBondContact ND1-O 2.87Å; H1176-Q1185 VanDerWaalsContact ND1-O 3.11Å
1177	L	87.7	Confident	79.5	Confident	14 Å²	14	49.6 Å²	49.6	7%	0.073	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.4	164.8	-175.7	66.6	0	0	0	108.6	F1059 E1109 L1111 Q1185 I1189 T1351 L1354 L1355	F1059-L1177 HydrophobicContact CE2-CD1 4.43Å; E1109-L1177 HydrophobicContact CB-CD1 4.47Å; L1111-L1177 HydrophobicContact CD2-CB 4.36Å; L1111-L1177 HydrophobicContact CD2-CD1 3.94Å; L1177-Q1185 WeakPolarHBondContact O-CG 3.35Å; L1177-Q1185 PolarHBondContact O-N 2.84Å; L1177-Q1185 VanDerWaalsContact O-N 3.16Å; L1177-I1189 HydrophobicContact CB-CD1 3.49Å; L1177-I1189 VanDerWaalsContact CB-CD1 3.46Å; L1177-I1189 HydrophobicContact CD2-CD1 4.41Å; L1177-T1351 HydrophobicContact CD2-CG2 4.13Å; L1177-L1354 HydrophobicContact CD2-CD2 3.87Å; L1177-L1354 HydrophobicContact CD2-CG 4.37Å; L1177-L1355 HydrophobicContact CD1-CD2 4.49Å
1178	A	85.4	Confident	79.2	Confident	4.4 Å²	4.4	48.5 Å²	48.5	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	165.6	180	0	0	0	0	0	110.4	E1109 Y1110 I1184	E1109-A1178 CarbonylContact C-O 3.56Å; E1109-A1178 VanDerWaalsContact CA-O 3.28Å; E1109-A1178 WeakPolarHBondContact CA-O 3.39Å; Y1110-A1178 HydrophobicContact CD1-CB 4.22Å; Y1110-A1178 HydrophobicContact CD2-CB 4.09Å; Y1110-A1178 HydrophobicContact CE1-CB 3.75Å; Y1110-A1178 HydrophobicContact CE2-CB 3.6Å; Y1110-A1178 HydrophobicContact CG-CB 4.37Å; Y1110-A1178 VanDerWaalsContact CZ-CB 3.44Å; Y1110-A1178 PolarHBondContact N-O 2.93Å; Y1110-A1178 PolarHBondContact O-N 3.21Å; A1178-I1184 HydrophobicContact CB-CB 4.48Å; A1178-I1184 HydrophobicContact CB-CG1 4.08Å
1179	N	82	Confident	79	Confident	37.8 Å²	37.8	47.3 Å²	47.3	20%	0.202	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	140.4	178.7	176.3	-2.3	0	0	0	107.4	K1108 E1109 D1181 L1182	K1108-N1179 VanDerWaalsContact CB-OD1 3.26Å; K1108-N1179 WeakPolarHBondContact CB-OD1 3.26Å; K1108-N1179 WeakPolarHBondContact O-CA 3.28Å; K1108-N1179 PolarHBondContact O-OD1 2.84Å; E1109-N1179 HydrophobicContact CG-CB 4.4Å; N1179-D1181 PolarHBondContact ND2-OD2 2.91Å; N1179-D1181 PolarHBondContact O-N 2.97Å; N1179-D1181 PolarHBondContact OD1-N 3.05Å; N1179-L1182 HydrophobicContact CB-CB 4.33Å; N1179-L1182 HydrophobicContact CB-CD1 4.42Å; N1179-L1182 CarbonylContact O-C 3.53Å; N1179-L1182 PolarHBondContact O-N 2.97Å; N1179-L1182 VanDerWaalsContact O-N 3.12Å
1180	D	72	Confident	78.9	Confident	65.2 Å²	65.2	46.8 Å²	46.8	35%	0.349	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.4	-177.6	-69.9	-37.9	0	0	0	114.2	R1058 K1108 L1182	R1058-D1180 IonicContact CZ-OD1 3.31Å; R1058-D1180 VanDerWaalsContact NH1-CG 3.33Å; R1058-D1180 IonicContact NH1-OD1 3.22Å; R1058-D1180 PolarHBondContact NH1-OD1 2.93Å; R1058-D1180 IonicContact NH1-OD2 2.94Å; R1058-D1180 PolarHBondContact NH1-OD2 3.12Å; R1058-D1180 IonicContact NH2-OD1 3.14Å; R1058-D1180 PolarHBondContact NH2-OD1 3.09Å; K1108-D1180 WeakPolarHBondContact CA-OD2 3.43Å; K1108-D1180 PolarHBondContact O-N 3.12Å; K1108-D1180 VanDerWaalsContact O-N 3.11Å; D1180-L1182 PolarHBondContact O-N 3Å
1181	D	66.7	Low	78.9	Confident	106.8 Å²	106.8	49.3 Å²	49.3	57%	0.571	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.4	177.8	-55.8	-40.5	0	0	0	114	K1108 N1179 N1183	K1108-D1181 WeakPolarHBondContact CD-OD2 3.44Å; K1108-D1181 IonicContact NZ-OD1 2.97Å; K1108-D1181 PolarHBondContact NZ-OD1 3.06Å; K1108-D1181 VanDerWaalsContact NZ-OD1 3.09Å; K1108-D1181 IonicContact NZ-OD2 3.3Å; K1108-D1181 PolarHBondContact NZ-OD2 2.87Å; N1179-D1181 PolarHBondContact ND2-OD2 2.91Å; N1179-D1181 PolarHBondContact O-N 2.97Å; N1179-D1181 PolarHBondContact OD1-N 3.05Å; D1181-N1183 PolarHBondContact O-N 3.17Å; D1181-N1183 PolarHBondContact O-ND2 2.82Å
1182	L	55	Low	78.9	Confident	114.2 Å²	114.2	50.1 Å²	50.1	60%	0.598	27%	0.271	S	S	*	.	B	Isolated β-bridge	trans	-129.4	121	-177.5	-76.7	147.1	0	0	0	113.1	N741 N1179 D1180 I1184	N741-L1182 WeakPolarHBondContact O-CD1 3.26Å; N1179-L1182 HydrophobicContact CB-CB 4.33Å; N1179-L1182 HydrophobicContact CB-CD1 4.42Å; N1179-L1182 CarbonylContact O-C 3.53Å; N1179-L1182 PolarHBondContact O-N 2.97Å; N1179-L1182 VanDerWaalsContact O-N 3.12Å; D1180-L1182 PolarHBondContact O-N 3Å; L1182-I1184 PolarHBondContact O-N 3.13Å
1183	N	56.5	Low	78.6	Confident	148.2 Å²	148.2	49.7 Å²	49.7	79%	0.793	27%	0.267	S	S	*	.			trans	-61.1	131.2	171.5	-69.9	-28.6	0	0	0	110.9	D1181 Q1185	D1181-N1183 PolarHBondContact O-N 3.17Å; D1181-N1183 PolarHBondContact O-ND2 2.82Å; N1183-Q1185 PolarHBondContact O-N 3.26Å
1184	I	59.7	Low	77.9	Confident	57.2 Å²	57.2	50.5 Å²	50.5	29%	0.293	27%	0.273	S	S	.	.			trans	-49.8	134.7	177.2	-55.7	172.3	0	0	0	110.3	L888 H1176 A1178 L1182 S1186	L888-I1184 HydrophobicContact CD1-CD1 4.11Å; L888-I1184 HydrophobicContact CD2-CD1 3.96Å; L888-I1184 HydrophobicContact CG-CD1 3.86Å; H1176-I1184 HydrophobicContact CB-CG2 3.59Å; H1176-I1184 VanDerWaalsContact CB-CG2 3.47Å; A1178-I1184 HydrophobicContact CB-CB 4.48Å; A1178-I1184 HydrophobicContact CB-CG1 4.08Å; L1182-I1184 PolarHBondContact O-N 3.13Å; I1184-S1186 PolarHBondContact O-N 3.16Å
1185	Q	65.8	Low	76.7	Confident	50.6 Å²	50.6	55.9 Å²	55.9	24%	0.236	29%	0.294	C	S	.	.			trans	-53.9	128.5	174.1	-75.8	-177.3	-37.9	0	0	110.7	H1176 L1177 N1183 M1187	H1176-Q1185 PolarHBondContact ND1-O 2.87Å; H1176-Q1185 VanDerWaalsContact ND1-O 3.11Å; L1177-Q1185 WeakPolarHBondContact O-CG 3.35Å; L1177-Q1185 PolarHBondContact O-N 2.84Å; L1177-Q1185 VanDerWaalsContact O-N 3.16Å; N1183-Q1185 PolarHBondContact O-N 3.26Å; Q1185-M1187 VanDerWaalsContact C-N 3.26Å; Q1185-M1187 PolarHBondContact O-N 2.98Å; Q1185-M1187 VanDerWaalsContact O-N 3.15Å
1186	S	61	Low	75.1	Confident	99.4 Å²	99.4	61.4 Å²	61.4	70%	0.695	32%	0.32	S	S	*	.	S	Bend	trans	-65.2	-23.8	-174	47.5	0	0	0	0	113.8	I1184	I1184-S1186 PolarHBondContact O-N 3.16Å
1187	M	71.6	Confident	73.6	Confident	99.4 Å²	99.4	64.5 Å²	64.5	49%	0.49	34%	0.338	S	S	.	.	S	Bend	trans	-105.3	139.9	171.3	-66.4	-80.2	82.2	0	0	109.9	Q1185	Q1185-M1187 VanDerWaalsContact C-N 3.26Å; Q1185-M1187 PolarHBondContact O-N 2.98Å; Q1185-M1187 VanDerWaalsContact O-N 3.15Å
1188	P	82.5	Confident	72.4	Confident	26.6 Å²	26.6	70.1 Å²	70.1	17%	0.173	38%	0.375	C	S	.	.			trans	-70.5	141	168.8	30.3	-32.6	0	0	0	110.2	V1175 V1190	V1175-P1188 CarbonylContact O-C 3.54Å; V1175-P1188 VanDerWaalsContact O-CA 3.3Å; V1175-P1188 WeakPolarHBondContact O-CA 3.41Å; V1175-P1188 WeakPolarHBondContact O-CB 3.27Å; P1188-V1190 VanDerWaalsContact C-N 3.32Å
1189	I	87.2	Confident	71.3	Confident	13.2 Å²	13.2	76.7 Å²	76.7	7%	0.068	41%	0.408	C	S	.	.	S	Bend	trans	-70.2	-35.7	172.5	-60.6	176.1	0	0	0	110.1	V1175 L1177 I1344 V1345 I1346 T1351 L1355	V1175-I1189 PolarHBondContact O-N 3.27Å; L1177-I1189 HydrophobicContact CB-CD1 3.49Å; L1177-I1189 VanDerWaalsContact CB-CD1 3.46Å; L1177-I1189 HydrophobicContact CD2-CD1 4.41Å; I1189-I1344 CarbonylContact O-C 3.55Å; I1189-I1344 VanDerWaalsContact O-CA 3.29Å; I1189-I1344 WeakPolarHBondContact O-CA 3.39Å; I1189-I1344 WeakPolarHBondContact O-CG2 3.41Å; I1189-V1345 PolarHBondContact O-N 2.94Å; I1189-I1346 HydrophobicContact CG2-CD1 4.06Å; I1189-T1351 HydrophobicContact CD1-CG2 3.68Å; I1189-T1351 HydrophobicContact CG1-CG2 4.4Å; I1189-L1355 HydrophobicContact CD1-CD1 4.16Å; I1189-L1355 HydrophobicContact CG2-CD1 4.16Å
1190	V	88.9	Confident	70.6	Confident	26.6 Å²	26.6	78.9 Å²	78.9	16%	0.161	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.4	176.6	-174.2	0	0	0	0	109.6	S1174 V1175 P1188 F1192 E1343 I1344	S1174-V1190 CarbonylContact C-O 3.58Å; S1174-V1190 WeakPolarHBondContact CA-O 3.42Å; V1175-V1190 HydrophobicContact CB-CB 4.09Å; V1175-V1190 HydrophobicContact CG2-CB 4.16Å; V1175-V1190 PolarHBondContact N-O 3.01Å; V1175-V1190 PolarHBondContact O-N 3.21Å; P1188-V1190 VanDerWaalsContact C-N 3.32Å; V1190-F1192 HydrophobicContact CB-CE2 4.42Å; V1190-F1192 HydrophobicContact CG1-CD1 4.07Å; V1190-F1192 HydrophobicContact CG1-CD2 4.34Å; V1190-F1192 HydrophobicContact CG1-CE1 3.52Å; V1190-F1192 VanDerWaalsContact CG1-CE1 3.42Å; V1190-F1192 HydrophobicContact CG1-CE2 3.82Å; V1190-F1192 HydrophobicContact CG1-CG 4.45Å; V1190-F1192 HydrophobicContact CG1-CZ 3.39Å; V1190-F1192 VanDerWaalsContact CG1-CZ 3.42Å; V1190-E1343 CarbonylContact C-O 3.52Å; V1190-E1343 WeakPolarHBondContact CA-O 3.3Å; V1190-I1344 HydrophobicContact CG1-CG1 4.32Å; V1190-I1344 HydrophobicContact CG2-CG1 4.34Å; V1190-I1344 HydrophobicContact CG2-CG2 4.43Å
1191	Y	90.7	Very high	70.9	Confident	56.4 Å²	56.4	79.9 Å²	79.9	22%	0.221	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	117.5	175.3	-177.9	-122.3	0	0	0	110.5	I1173 T1193 K1195 A1342 E1343	I1173-Y1191 CarbonylContact O-C 3.52Å; I1173-Y1191 WeakPolarHBondContact O-CA 3.4Å; I1173-Y1191 WeakPolarHBondContact O-CD2 3.25Å; Y1191-T1193 HydrophobicContact CD1-CG2 4.23Å; Y1191-T1193 VanDerWaalsContact CE1-CB 3.46Å; Y1191-T1193 HydrophobicContact CE1-CG2 3.78Å; Y1191-T1193 PolarHBondContact OH-OG1 3.14Å; Y1191-T1193 VanDerWaalsContact OH-OG1 3.14Å; Y1191-K1195 PolarHBondContact OH-NZ 3.31Å; Y1191-A1342 WeakPolarHBondContact O-CA 3.21Å; Y1191-E1343 PolarHBondContact N-O 3.02Å; Y1191-E1343 PolarHBondContact O-N 2.97Å
1192	F	89.2	Confident	71.8	Confident	37.2 Å²	37.2	76.9 Å²	76.9	16%	0.163	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.6	174.2	-56.2	-51.2	0	0	0	109.5	S1172 I1173 V1190 I1203 I1339 V1341 A1342	S1172-F1192 CarbonylContact C-O 3.47Å; S1172-F1192 VanDerWaalsContact CA-O 3.26Å; S1172-F1192 WeakPolarHBondContact CA-O 3.29Å; S1172-F1192 WeakPolarHBondContact CB-O 3.32Å; I1173-F1192 HydrophobicContact CB-CB 4.13Å; I1173-F1192 HydrophobicContact CB-CD2 3.89Å; I1173-F1192 HydrophobicContact CB-CG 4.46Å; I1173-F1192 HydrophobicContact CD1-CD2 4.08Å; I1173-F1192 HydrophobicContact CG1-CB 4.49Å; I1173-F1192 HydrophobicContact CG1-CD2 4.41Å; I1173-F1192 HydrophobicContact CG2-CD2 4.19Å; I1173-F1192 PolarHBondContact N-O 3.31Å; I1173-F1192 VanDerWaalsContact N-O 3.12Å; I1173-F1192 PolarHBondContact O-N 3.11Å; V1190-F1192 HydrophobicContact CB-CE2 4.42Å; V1190-F1192 HydrophobicContact CG1-CD1 4.07Å; V1190-F1192 HydrophobicContact CG1-CD2 4.34Å; V1190-F1192 HydrophobicContact CG1-CE1 3.52Å; V1190-F1192 VanDerWaalsContact CG1-CE1 3.42Å; V1190-F1192 HydrophobicContact CG1-CE2 3.82Å; V1190-F1192 HydrophobicContact CG1-CG 4.45Å; V1190-F1192 HydrophobicContact CG1-CZ 3.39Å; V1190-F1192 VanDerWaalsContact CG1-CZ 3.42Å; F1192-I1203 HydrophobicContact CB-CD1 3.69Å; F1192-I1339 HydrophobicContact CB-CD1 4.45Å; F1192-I1339 HydrophobicContact CB-CG2 3.97Å; F1192-I1339 HydrophobicContact CD1-CD1 3.91Å; F1192-I1339 HydrophobicContact CD1-CG2 3.84Å; F1192-I1339 HydrophobicContact CD2-CD1 3.88Å; F1192-I1339 HydrophobicContact CE1-CD1 3.93Å; F1192-I1339 HydrophobicContact CE1-CG2 4.38Å; F1192-I1339 HydrophobicContact CE2-CD1 3.91Å; F1192-I1339 HydrophobicContact CG-CD1 3.89Å; F1192-I1339 HydrophobicContact CG-CG2 4.06Å; F1192-I1339 HydrophobicContact CZ-CD1 3.92Å; F1192-V1341 WeakPolarHBondContact CA-O 3.3Å; F1192-A1342 HydrophobicContact CD1-CB 3.55Å; F1192-A1342 HydrophobicContact CE1-CB 3.62Å
1193	T	84.5	Confident	73.6	Confident	9.2 Å²	9.2	71.4 Å²	71.4	6%	0.056	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	164.7	-171.7	-161.1	0	0	0	0	113.3	Y1191 K1195 V1341	Y1191-T1193 HydrophobicContact CD1-CG2 4.23Å; Y1191-T1193 VanDerWaalsContact CE1-CB 3.46Å; Y1191-T1193 HydrophobicContact CE1-CG2 3.78Å; Y1191-T1193 PolarHBondContact OH-OG1 3.14Å; Y1191-T1193 VanDerWaalsContact OH-OG1 3.14Å; T1193-K1195 HydrophobicContact CG2-CB 4.22Å; T1193-K1195 HydrophobicContact CG2-CD 4.36Å; T1193-K1195 HydrophobicContact CG2-CG 4.2Å; T1193-K1195 WeakPolarHBondContact OG1-CG 3.49Å; T1193-V1341 HydrophobicContact CG2-CB 3.94Å; T1193-V1341 HydrophobicContact CG2-CG1 4.15Å; T1193-V1341 PolarHBondContact N-O 2.96Å; T1193-V1341 WeakPolarHBondContact O-CB 3.32Å; T1193-V1341 PolarHBondContact O-N 3.08Å
1194	T	77.5	Confident	75.3	Confident	31.2 Å²	31.2	66.6 Å²	66.6	19%	0.191	36%	0.356	C	S	.	.			trans	-98.4	16.7	179.4	67.9	0	0	0	0	112.3	G1171 M1196 E1201 I1203	G1171-T1194 WeakPolarHBondContact O-CG2 3.28Å; T1194-M1196 VanDerWaalsContact C-N 3.34Å; T1194-M1196 PolarHBondContact O-N 3.04Å; T1194-E1201 VanDerWaalsContact CB-O 3.28Å; T1194-E1201 WeakPolarHBondContact CB-O 3.23Å; T1194-E1201 VanDerWaalsContact CG2-O 3.28Å; T1194-E1201 WeakPolarHBondContact CG2-O 3.41Å; T1194-I1203 HydrophobicContact CG2-CG1 4.44Å
1195	K	65.4	Low	76.8	Confident	130 Å²	130	64 Å²	64	57%	0.565	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	24.2	-167	-89.4	177.8	178.3	175.5	0	114.5	Y1191 T1193 N1197 P1340 V1341	Y1191-K1195 PolarHBondContact OH-NZ 3.31Å; T1193-K1195 HydrophobicContact CG2-CB 4.22Å; T1193-K1195 HydrophobicContact CG2-CD 4.36Å; T1193-K1195 HydrophobicContact CG2-CG 4.2Å; T1193-K1195 WeakPolarHBondContact OG1-CG 3.49Å; K1195-N1197 HydrophobicContact CG-CB 4.45Å; K1195-N1197 PolarHBondContact O-N 3.29Å; K1195-P1340 HydrophobicContact CB-CB 4.25Å; K1195-V1341 HydrophobicContact CB-CG2 3.81Å; K1195-V1341 HydrophobicContact CD-CG2 4.49Å; K1195-V1341 HydrophobicContact CG-CG2 4.07Å; K1195-V1341 VanDerWaalsContact O-CG2 3.26Å; K1195-V1341 WeakPolarHBondContact O-CG2 3.41Å
1196	M	58.5	Low	78	Confident	135.2 Å²	135.2	63.9 Å²	63.9	67%	0.666	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	17.8	-176.8	-67.1	-67.8	-174.3	0	0	115	T1194 V1341	T1194-M1196 VanDerWaalsContact C-N 3.34Å; T1194-M1196 PolarHBondContact O-N 3.04Å; M1196-V1341 HydrophobicContact CB-CG2 3.72Å; M1196-V1341 HydrophobicContact CG-CG1 4.14Å; M1196-V1341 HydrophobicContact CG-CG2 3.86Å
1197	N	58.8	Low	79.4	Confident	91.4 Å²	91.4	61.5 Å²	61.5	49%	0.489	32%	0.32	S	S	.	.	S	Bend	trans	-117.7	149.3	174	-84.8	-28	0	0	0	111.6	K1195 I1199	K1195-N1197 HydrophobicContact CG-CB 4.45Å; K1195-N1197 PolarHBondContact O-N 3.29Å; N1197-I1199 VanDerWaalsContact CB-O 3.3Å; N1197-I1199 WeakPolarHBondContact CB-O 3.35Å; N1197-I1199 CarbonylContact O-C 3.43Å; N1197-I1199 PolarHBondContact O-N 3.1Å; N1197-I1199 VanDerWaalsContact O-N 3.08Å
1198	P	60.6	Low	80.1	Confident	132.6 Å²	132.6	58 Å²	58	86%	0.861	30%	0.301	S	S	*	.	S	Bend	trans	-64.4	-16	-179.6	25.9	-34.7	0	0	0	113.8
1199	I	63	Low	80.2	Confident	142.2 Å²	142.2	60.2 Å²	60.2	73%	0.729	31%	0.311	S	S	*	.	S	Bend	trans	-122.1	107.1	165.4	-57	173.3	0	0	0	105.8	N1197 E1201	N1197-I1199 VanDerWaalsContact CB-O 3.3Å; N1197-I1199 WeakPolarHBondContact CB-O 3.35Å; N1197-I1199 CarbonylContact O-C 3.43Å; N1197-I1199 PolarHBondContact O-N 3.1Å; N1197-I1199 VanDerWaalsContact O-N 3.08Å; I1199-E1201 PolarHBondContact O-N 2.97Å; I1199-E1201 VanDerWaalsContact O-N 3.11Å
1200	P	66.9	Low	79.7	Confident	83.6 Å²	83.6	59.7 Å²	59.7	54%	0.543	31%	0.309	S	S	.	.			trans	-73.1	102.9	-177.9	27.8	-33.1	0	0	0	110.1
1201	E	79.6	Confident	78.6	Confident	87.2 Å²	87.2	61.4 Å²	61.4	41%	0.407	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-67.8	132.1	165.6	-174.1	165.8	-150.7	0	0	108.8	T1194 I1199 K1204 P1340 N1570	T1194-E1201 VanDerWaalsContact CB-O 3.28Å; T1194-E1201 WeakPolarHBondContact CB-O 3.23Å; T1194-E1201 VanDerWaalsContact CG2-O 3.28Å; T1194-E1201 WeakPolarHBondContact CG2-O 3.41Å; I1199-E1201 PolarHBondContact O-N 2.97Å; I1199-E1201 VanDerWaalsContact O-N 3.11Å; E1201-K1204 WeakPolarHBondContact OE1-CE 3.42Å; E1201-K1204 IonicContact OE1-NZ 3.16Å; E1201-K1204 PolarHBondContact OE1-NZ 3.06Å; E1201-P1340 HydrophobicContact CB-CG 4.27Å; E1201-P1340 HydrophobicContact CG-CG 4.15Å; E1201-P1340 VanDerWaalsContact O-CG 3.24Å; E1201-P1340 WeakPolarHBondContact O-CG 3.38Å; E1201-N1570 PolarHBondContact OE2-ND2 3.2Å; E1201-N1570 VanDerWaalsContact OE2-ND2 3.16Å
1202	P	85.5	Confident	77.1	Confident	42.8 Å²	42.8	62.9 Å²	62.9	28%	0.278	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-78.3	160.6	176.6	33.4	-36.2	0	0	0	111.7	I1169 K1204	I1169-P1202 HydrophobicContact CG2-CB 3.57Å; I1169-P1202 HydrophobicContact CG2-CG 3.82Å; P1202-K1204 HydrophobicContact CG-CG 4.32Å; P1202-K1204 PolarHBondContact O-N 3.15Å
1203	I	91.4	Very high	75.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	132.3	166.4	-58.7	163.1	0	0	0	107.4	I1169 I1170 I1173 F1192 T1194 K1338 I1339	I1169-I1203 CarbonylContact C-O 3.51Å; I1169-I1203 WeakPolarHBondContact CA-O 3.28Å; I1170-I1203 HydrophobicContact CB-CB 4.2Å; I1170-I1203 HydrophobicContact CB-CG2 4.42Å; I1170-I1203 PolarHBondContact N-O 3.17Å; I1170-I1203 WeakPolarHBondContact O-CB 3.37Å; I1170-I1203 PolarHBondContact O-N 3.24Å; I1170-I1203 VanDerWaalsContact O-N 3.12Å; I1173-I1203 HydrophobicContact CD1-CD1 4.44Å; I1173-I1203 HydrophobicContact CD1-CG2 4.43Å; I1173-I1203 HydrophobicContact CG1-CD1 4.16Å; F1192-I1203 HydrophobicContact CB-CD1 3.69Å; T1194-I1203 HydrophobicContact CG2-CG1 4.44Å; I1203-K1338 WeakPolarHBondContact CA-O 3.37Å; I1203-I1339 HydrophobicContact CG2-CG1 4.26Å
1204	K	92.4	Very high	73.8	Confident	45.6 Å²	45.6	66.1 Å²	66.1	20%	0.198	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.2	177.8	-57.2	-174.6	-174.6	-179.1	0	110.3	E1167 L1168 I1169 E1201 P1202 Y1206 F1337 K1338	E1167-K1204 WeakPolarHBondContact OE1-CD 3.21Å; E1167-K1204 WeakPolarHBondContact OE1-CE 3.5Å; E1167-K1204 IonicContact OE1-NZ 2.72Å; E1167-K1204 PolarHBondContact OE1-NZ 2.91Å; E1167-K1204 IonicContact OE2-NZ 3.19Å; L1168-K1204 CarbonylContact O-C 3.57Å; L1168-K1204 WeakPolarHBondContact O-CA 3.45Å; I1169-K1204 HydrophobicContact CG1-CG 4.44Å; E1201-K1204 WeakPolarHBondContact OE1-CE 3.42Å; E1201-K1204 IonicContact OE1-NZ 3.16Å; E1201-K1204 PolarHBondContact OE1-NZ 3.06Å; P1202-K1204 HydrophobicContact CG-CG 4.32Å; P1202-K1204 PolarHBondContact O-N 3.15Å; K1204-Y1206 HydrophobicContact CB-CE2 3.93Å; K1204-Y1206 HydrophobicContact CD-CE2 4.37Å; K1204-Y1206 WeakPolarHBondContact CD-OH 3.39Å; K1204-Y1206 PolarHBondContact NZ-OH 3.03Å; K1204-F1337 CarbonylContact O-C 3.56Å; K1204-F1337 WeakPolarHBondContact O-CA 3.41Å; K1204-K1338 HydrophobicContact CB-CB 4.46Å; K1204-K1338 PolarHBondContact N-O 3.04Å; K1204-K1338 PolarHBondContact O-N 3.11Å
1205	V	92.6	Very high	72.3	Confident	4.2 Å²	4.2	68.6 Å²	68.6	3%	0.025	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.8	172.2	-164.7	0	0	0	0	107.9	L1168 I1170 I1207 V1335 H1336 F1337	L1168-V1205 HydrophobicContact CB-CB 4.16Å; L1168-V1205 HydrophobicContact CD2-CB 4.38Å; L1168-V1205 HydrophobicContact CD2-CG2 4.38Å; L1168-V1205 PolarHBondContact N-O 3.09Å; L1168-V1205 PolarHBondContact O-N 3.15Å; I1170-V1205 HydrophobicContact CD1-CG2 4.16Å; V1205-I1207 HydrophobicContact CG1-CG1 4.44Å; V1205-V1335 HydrophobicContact CG1-CG1 3.89Å; V1205-H1336 CarbonylContact C-O 3.52Å; V1205-H1336 VanDerWaalsContact CA-O 3.31Å; V1205-H1336 WeakPolarHBondContact CA-O 3.35Å; V1205-F1337 HydrophobicContact CB-CD1 4.22Å; V1205-F1337 HydrophobicContact CB-CE1 4.3Å; V1205-F1337 HydrophobicContact CG1-CD1 3.81Å; V1205-F1337 HydrophobicContact CG1-CD2 4.25Å; V1205-F1337 HydrophobicContact CG1-CE1 3.68Å; V1205-F1337 HydrophobicContact CG1-CE2 4.14Å; V1205-F1337 HydrophobicContact CG1-CG 4.08Å; V1205-F1337 HydrophobicContact CG1-CZ 3.85Å; V1205-F1337 HydrophobicContact CG2-CD1 3.45Å; V1205-F1337 VanDerWaalsContact CG2-CD1 3.45Å; V1205-F1337 HydrophobicContact CG2-CE1 3.59Å; V1205-F1337 HydrophobicContact CG2-CG 4.31Å; V1205-F1337 HydrophobicContact CG2-CZ 4.34Å
1206	Y	91	Very high	71.2	Confident	47.4 Å²	47.4	67.1 Å²	67.1	19%	0.186	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.6	173	-57.5	-85.5	0	0	0	108.3	E1165 L1166 E1167 K1204 V1335 H1336 K1338	E1165-Y1206 HydrophobicContact CG-CD1 4.44Å; E1165-Y1206 VanDerWaalsContact OE1-CD1 3.27Å; E1165-Y1206 WeakPolarHBondContact OE1-CD1 3.24Å; L1166-Y1206 CarbonylContact O-C 3.57Å; L1166-Y1206 WeakPolarHBondContact O-CA 3.35Å; E1167-Y1206 HydrophobicContact CB-CD1 4.23Å; E1167-Y1206 HydrophobicContact CB-CE1 4.2Å; E1167-Y1206 HydrophobicContact CG-CD1 4.21Å; E1167-Y1206 HydrophobicContact CG-CE1 3.81Å; E1167-Y1206 WeakPolarHBondContact OE1-CE1 3.24Å; E1167-Y1206 PolarHBondContact OE1-OH 3.09Å; E1167-Y1206 VanDerWaalsContact OE1-OH 3.05Å; K1204-Y1206 HydrophobicContact CB-CE2 3.93Å; K1204-Y1206 HydrophobicContact CD-CE2 4.37Å; K1204-Y1206 WeakPolarHBondContact CD-OH 3.39Å; K1204-Y1206 PolarHBondContact NZ-OH 3.03Å; Y1206-V1335 CarbonylContact O-C 3.55Å; Y1206-V1335 WeakPolarHBondContact O-CA 3.28Å; Y1206-H1336 HydrophobicContact CD2-CB 4.46Å; Y1206-H1336 PolarHBondContact N-O 3.06Å; Y1206-H1336 PolarHBondContact O-N 3.3Å; Y1206-K1338 HydrophobicContact CE2-CD 4.09Å; Y1206-K1338 VanDerWaalsContact CE2-CE 3.49Å; Y1206-K1338 HydrophobicContact CE2-CG 4.33Å; Y1206-K1338 PolarHBondContact OH-NZ 3.49Å
1207	I	90.2	Very high	70.3	Confident	49 Å²	49	65.5 Å²	65.5	25%	0.251	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.2	173.1	-57.1	170.8	0	0	0	106.9	E1165 L1166 V1205 I1209 L1333 F1334 V1335	E1165-I1207 CarbonylContact C-O 3.56Å; E1165-I1207 WeakPolarHBondContact CA-O 3.33Å; L1166-I1207 HydrophobicContact CB-CB 4.27Å; L1166-I1207 HydrophobicContact CD1-CB 4.17Å; L1166-I1207 HydrophobicContact CD1-CG2 4.25Å; L1166-I1207 WeakPolarHBondContact CD1-O 3.4Å; L1166-I1207 PolarHBondContact N-O 3.11Å; L1166-I1207 PolarHBondContact O-N 2.91Å; V1205-I1207 HydrophobicContact CG1-CG1 4.44Å; I1207-I1209 HydrophobicContact CG2-CG1 4.37Å; I1207-L1333 HydrophobicContact CG2-CD1 3.87Å; I1207-F1334 WeakPolarHBondContact CA-O 3.32Å; I1207-V1335 HydrophobicContact CG1-CG1 4.26Å; I1207-V1335 HydrophobicContact CG1-CG2 4.44Å; I1207-V1335 HydrophobicContact CG2-CG2 4.44Å
1208	R	86.2	Confident	69.4	Low	25.6 Å²	25.6	65.1 Å²	65.1	10%	0.097	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132	172	177.3	176.2	66.6	164	1	109.7	E1163 Q1164 E1165 S1328 I1329 F1334	E1163-R1208 IonicContact OE1-NH1 3.34Å; E1163-R1208 PolarHBondContact OE1-NH1 2.86Å; E1163-R1208 WeakPolarHBondContact OE2-CD 3.3Å; E1163-R1208 IonicContact OE2-CZ 3.49Å; E1163-R1208 IonicContact OE2-NE 3.33Å; E1163-R1208 IonicContact OE2-NH1 3.43Å; E1163-R1208 PolarHBondContact OE2-NH1 3.18Å; Q1164-R1208 VanDerWaalsContact O-CA 3.3Å; Q1164-R1208 WeakPolarHBondContact O-CA 3.39Å; E1165-R1208 HydrophobicContact CG-CG 4.39Å; R1208-S1328 PolarHBondContact NH2-O 2.95Å; R1208-I1329 PolarHBondContact NH2-O 3.2Å; R1208-I1329 VanDerWaalsContact NH2-O 3.08Å; R1208-F1334 HydrophobicContact CB-CB 4.33Å; R1208-F1334 PolarHBondContact N-O 3.16Å; R1208-F1334 PolarHBondContact O-N 3.24Å
1209	I	84.3	Confident	68	Low	74.2 Å²	74.2	64.9 Å²	64.9	38%	0.381	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116	172.1	-55.5	174.7	0	0	0	107.7	Q1164 I1207 H1332 L1333	Q1164-I1209 PolarHBondContact N-O 3.28Å; Q1164-I1209 PolarHBondContact O-N 3Å; Q1164-I1209 VanDerWaalsContact O-N 3.14Å; I1207-I1209 HydrophobicContact CG2-CG1 4.37Å; I1209-H1332 WeakPolarHBondContact CA-O 3.48Å; I1209-L1333 HydrophobicContact CG1-CD1 3.98Å
1210	S	75.6	Confident	66.5	Low	2.8 Å²	2.8	62.1 Å²	62.1	2%	0.02	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-85.4	144.3	175.4	-50.8	0	0	0	0	109.5	S1212 T1331 H1332	S1210-S1212 PolarHBondContact O-N 2.97Å; S1210-T1331 VanDerWaalsContact CB-O 3.31Å; S1210-T1331 WeakPolarHBondContact CB-O 3.4Å; S1210-T1331 PolarHBondContact OG-O 3.02Å; S1210-H1332 PolarHBondContact N-O 2.99Å; S1210-H1332 PolarHBondContact O-CD2 3.11Å; S1210-H1332 VanDerWaalsContact O-CD2 3.22Å; S1210-H1332 PolarHBondContact O-NE2 3.34Å
1211	P	66.5	Low	64.7	Low	61.2 Å²	61.2	63 Å²	63	40%	0.397	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-64.5	141.3	179	26.4	-33.8	0	0	0	112.1	G1213 Q1214 Q1560	P1211-G1213 PolarHBondContact O-N 2.91Å; P1211-Q1214 PolarHBondContact O-N 2.79Å; P1211-Q1560 PolarHBondContact O-NE2 2.91Å; P1211-Q1560 PolarHBondContact O-OE1 3.06Å
1212	S	58.5	Low	62.5	Low	87.4 Å²	87.4	64.9 Å²	64.9	61%	0.611	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	135.3	176.8	-13.5	0	0	0	0	112	E986 S1210 H1332	E986-S1212 PolarHBondContact OE2-OG 2.93Å; S1210-S1212 PolarHBondContact O-N 2.97Å; S1212-H1332 PolarHBondContact OG-NE2 3.3Å
1213	G	53.4	Low	59.6	Low	59.2 Å²	59.2	69.7 Å²	69.7	61%	0.61	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	11.7	174.1	0	0	0	0	0	115.4	P1211 T1215	P1211-G1213 PolarHBondContact O-N 2.91Å; G1213-T1215 VanDerWaalsContact C-N 3.3Å; G1213-T1215 PolarHBondContact O-N 3.09Å; G1213-T1215 VanDerWaalsContact O-N 3.13Å; G1213-T1215 PolarHBondContact O-OG1 2.96Å
1214	Q	51.3	Low	56.7	Low	55.4 Å²	55.4	75.5 Å²	75.5	26%	0.259	42%	0.423	S	S	.	.			trans	-73.6	83.5	172.8	-168.8	173.3	27.9	0	0	110.7	P1211 D1216 L1217 Q1560	P1211-Q1214 PolarHBondContact O-N 2.79Å; Q1214-D1216 HydrophobicContact CG-CB 4.34Å; Q1214-D1216 PolarHBondContact NE2-OD2 3.38Å; Q1214-D1216 PolarHBondContact O-N 3.03Å; Q1214-L1217 HydrophobicContact CG-CD2 4.1Å; Q1214-L1217 HydrophobicContact CG-CG 4.23Å; Q1214-Q1560 PolarHBondContact O-NE2 2.74Å; Q1214-Q1560 VanDerWaalsContact O-NE2 3.13Å
1215	T	46.8	Very low	53.7	Low	83.6 Å²	83.6	78.6 Å²	78.6	51%	0.513	45%	0.448	S	S	.	.			trans	-97.3	30.9	176.4	49	0	0	0	0	111.2	G1213 L1217 V1557 F1559	G1213-T1215 VanDerWaalsContact C-N 3.3Å; G1213-T1215 PolarHBondContact O-N 3.09Å; G1213-T1215 VanDerWaalsContact O-N 3.13Å; G1213-T1215 PolarHBondContact O-OG1 2.96Å; T1215-L1217 VanDerWaalsContact C-N 3.3Å; T1215-L1217 PolarHBondContact O-N 3.01Å; T1215-V1557 HydrophobicContact CG2-CG1 4.44Å; T1215-F1559 HydrophobicContact CG2-CD1 4.02Å; T1215-F1559 HydrophobicContact CG2-CE1 4.08Å
1216	D	42.3	Very low	50.8	Low	98 Å²	98	85.6 Å²	85.6	52%	0.524	48%	0.483	S	S	.	.			trans	-82.7	111.1	176.3	-75.5	-41	0	0	0	109.6	Q1214 V1218 H1330 Q1558	Q1214-D1216 HydrophobicContact CG-CB 4.34Å; Q1214-D1216 PolarHBondContact NE2-OD2 3.38Å; Q1214-D1216 PolarHBondContact O-N 3.03Å; D1216-V1218 VanDerWaalsContact C-N 3.32Å; D1216-V1218 HydrophobicContact CB-CG2 3.94Å; D1216-V1218 PolarHBondContact O-N 3.11Å; D1216-H1330 IonicContact OD2-CE1 3.05Å; D1216-H1330 PolarHBondContact OD2-CE1 2.83Å; D1216-H1330 IonicContact OD2-ND1 2.8Å; D1216-H1330 PolarHBondContact OD2-ND1 2.75Å; D1216-H1330 VanDerWaalsContact OD2-ND1 3.12Å; D1216-Q1558 PolarHBondContact N-O 3.43Å; D1216-Q1558 PolarHBondContact O-N 2.83Å; D1216-Q1558 VanDerWaalsContact O-N 3.16Å
1217	L	38.7	Very low	48	Very low	101.8 Å²	101.8	90.3 Å²	90.3	53%	0.533	51%	0.511	S	S	.	.			trans	-78.8	90	169.3	-78.1	164.8	0	0	0	108.8	Q1214 T1215 E1219 H1330 V1557	Q1214-L1217 HydrophobicContact CG-CD2 4.1Å; Q1214-L1217 HydrophobicContact CG-CG 4.23Å; T1215-L1217 VanDerWaalsContact C-N 3.3Å; T1215-L1217 PolarHBondContact O-N 3.01Å; L1217-E1219 VanDerWaalsContact C-N 3.33Å; L1217-E1219 PolarHBondContact O-N 3.2Å; L1217-H1330 HydrophobicContact CD1-CB 4.45Å; L1217-H1330 WeakPolarHBondContact CD1-ND1 3.17Å; L1217-V1557 HydrophobicContact CD2-CG2 4.05Å
1218	V	41.5	Very low	45.2	Very low	83 Å²	83	96.1 Å²	96.1	50%	0.503	54%	0.535	S	S	.	.			trans	-69.3	108.7	173.3	-176.6	0	0	0	0	108.3	D1216 C1220 F1289 H1330 Q1558	D1216-V1218 VanDerWaalsContact C-N 3.32Å; D1216-V1218 HydrophobicContact CB-CG2 3.94Å; D1216-V1218 PolarHBondContact O-N 3.11Å; V1218-C1220 PolarHBondContact O-N 2.98Å; V1218-C1220 VanDerWaalsContact O-N 3.08Å; V1218-F1289 HydrophobicContact CB-CZ 4.5Å; V1218-F1289 HydrophobicContact CG1-CE1 4.04Å; V1218-F1289 HydrophobicContact CG1-CE2 4.32Å; V1218-F1289 HydrophobicContact CG1-CZ 3.78Å; V1218-F1289 VanDerWaalsContact CG1-CZ 3.47Å; V1218-H1330 WeakPolarHBondContact CG2-NE2 3.43Å; V1218-Q1558 HydrophobicContact CB-CB 4.37Å; V1218-Q1558 HydrophobicContact CG2-CB 3.74Å
1219	E	29.9	Very low	42.5	Very low	127.8 Å²	127.8	101.9 Å²	101.9	60%	0.597	57%	0.567	S	S	*	*			trans	-59.9	101	169.8	-165.6	179.6	-160.1	0	0	108.7	L1217 V1221 K1285	L1217-E1219 VanDerWaalsContact C-N 3.33Å; L1217-E1219 PolarHBondContact O-N 3.2Å; E1219-V1221 VanDerWaalsContact C-N 3.33Å; E1219-V1221 HydrophobicContact CG-CG2 4.27Å; E1219-V1221 PolarHBondContact O-N 3.22Å; E1219-K1285 VanDerWaalsContact OE1-CD 3.3Å; E1219-K1285 WeakPolarHBondContact OE1-CD 3.46Å; E1219-K1285 WeakPolarHBondContact OE1-CE 3.24Å; E1219-K1285 IonicContact OE1-NZ 3.65Å; E1219-K1285 PolarHBondContact OE1-NZ 3.46Å; E1219-K1285 IonicContact OE2-NZ 2.77Å; E1219-K1285 PolarHBondContact OE2-NZ 3.41Å
1220	C	32.1	Very low	40	Very low	83.6 Å²	83.6	107.3 Å²	107.3	57%	0.565	59%	0.588	S	S	*	*			trans	-64.2	95.6	169.4	-73.9	0	0	0	0	108.3	V1218 N1222 N1554 S1556	V1218-C1220 PolarHBondContact O-N 2.98Å; V1218-C1220 VanDerWaalsContact O-N 3.08Å; C1220-N1222 VanDerWaalsContact C-N 3.31Å; C1220-N1222 PolarHBondContact O-N 2.86Å; C1220-N1554 WeakPolarHBondContact CB-O 3.3Å; C1220-N1554 PolarHBondContact SG-O 2.63Å; C1220-S1556 PolarHBondContact SG-OG 2.76Å
1221	V	29.8	Very low	37.9	Very low	103.2 Å²	103.2	114.9 Å²	114.9	63%	0.625	63%	0.629	S	S	*	*			trans	-58.2	100.5	172	-178.1	0	0	0	0	107.9	E1219 E1223 P1225	E1219-V1221 VanDerWaalsContact C-N 3.33Å; E1219-V1221 HydrophobicContact CG-CG2 4.27Å; E1219-V1221 PolarHBondContact O-N 3.22Å; V1221-E1223 HydrophobicContact CB-CG 4.05Å; V1221-E1223 HydrophobicContact CG1-CG 3.56Å; V1221-E1223 VanDerWaalsContact CG1-CG 3.48Å; V1221-E1223 WeakPolarHBondContact CG1-O 3.38Å; V1221-E1223 PolarHBondContact O-N 3.04Å; V1221-P1225 HydrophobicContact CG1-CB 4.46Å
1222	N	31.7	Very low	36.2	Very low	126.4 Å²	126.4	120.2 Å²	120.2	68%	0.676	65%	0.648	S	S	*	*			trans	-75.7	69.5	178.5	-167.6	28.7	0	0	0	109.5	C1220 N1224	C1220-N1222 VanDerWaalsContact C-N 3.31Å; C1220-N1222 PolarHBondContact O-N 2.86Å; N1222-N1224 VanDerWaalsContact C-N 3.33Å; N1222-N1224 PolarHBondContact O-N 3.02Å; N1222-N1224 VanDerWaalsContact O-N 3.11Å
1223	E	26.4	Very low	34.7	Very low	145.2 Å²	145.2	124.2 Å²	124.2	68%	0.679	66%	0.657	S	S	*	*			trans	-81.5	109.7	171.7	-75.3	-169.2	-168.6	0	0	108.6	V1221 P1225 K1228	V1221-E1223 HydrophobicContact CB-CG 4.05Å; V1221-E1223 HydrophobicContact CG1-CG 3.56Å; V1221-E1223 VanDerWaalsContact CG1-CG 3.48Å; V1221-E1223 WeakPolarHBondContact CG1-O 3.38Å; V1221-E1223 PolarHBondContact O-N 3.04Å; E1223-P1225 VanDerWaalsContact O-CD 3.28Å; E1223-P1225 WeakPolarHBondContact O-CD 3.29Å; E1223-K1228 HydrophobicContact CB-CD 3.85Å; E1223-K1228 IonicContact OE1-NZ 3.52Å; E1223-K1228 PolarHBondContact OE1-NZ 2.84Å; E1223-K1228 WeakPolarHBondContact OE2-CE 3.33Å; E1223-K1228 IonicContact OE2-NZ 3.32Å; E1223-K1228 PolarHBondContact OE2-NZ 2.81Å
1224	N	29.3	Very low	33.5	Very low	120 Å²	120	127.9 Å²	127.9	64%	0.642	67%	0.668	S	S	*	*			trans	-50.7	111	179.4	-120.6	-11.1	0	0	0	111.5	N1222 M1226 N1227	N1222-N1224 VanDerWaalsContact C-N 3.33Å; N1222-N1224 PolarHBondContact O-N 3.02Å; N1222-N1224 VanDerWaalsContact O-N 3.11Å; N1224-M1226 VanDerWaalsContact C-N 3.34Å; N1224-M1226 PolarHBondContact O-N 3.03Å; N1224-N1227 WeakPolarHBondContact O-CB 3.43Å; N1224-N1227 PolarHBondContact O-N 3.14Å
1225	P	30	Very low	32.4	Very low	110.8 Å²	110.8	132.2 Å²	132.2	72%	0.719	70%	0.698	S	S	*	*			trans	-76.3	17.9	-174.3	21.3	-22.6	0	0	0	113.1	V1221 E1223 N1227	V1221-P1225 HydrophobicContact CG1-CB 4.46Å; E1223-P1225 VanDerWaalsContact O-CD 3.28Å; E1223-P1225 WeakPolarHBondContact O-CD 3.29Å; P1225-N1227 VanDerWaalsContact C-N 3.32Å; P1225-N1227 PolarHBondContact O-N 2.98Å; P1225-N1227 VanDerWaalsContact O-N 3.14Å
1226	M	31.7	Very low	31.5	Very low	152.2 Å²	152.2	133.4 Å²	133.4	75%	0.75	71%	0.71	S	S	*	*			trans	-103.6	44.3	169.9	-79.8	-153.2	92.1	0	0	113.4	N1224	N1224-M1226 VanDerWaalsContact C-N 3.34Å; N1224-M1226 PolarHBondContact O-N 3.03Å
1227	N	31.1	Very low	30.8	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	72%	0.723	S	S	*	*	S	Bend	trans	-145.4	39	169.4	-105.6	-20.3	0	0	0	114.4	N1224 P1225	N1224-N1227 WeakPolarHBondContact O-CB 3.43Å; N1224-N1227 PolarHBondContact O-N 3.14Å; P1225-N1227 VanDerWaalsContact C-N 3.32Å; P1225-N1227 PolarHBondContact O-N 2.98Å; P1225-N1227 VanDerWaalsContact O-N 3.14Å
1228	K	31.7	Very low	30.2	Very low	172.4 Å²	172.4	141.6 Å²	141.6	75%	0.75	73%	0.734	S	S	*	*	S	Bend	trans	-137.4	79.6	170.5	-77.8	-177.2	169.8	165.2	0	113.2	E1223	E1223-K1228 HydrophobicContact CB-CD 3.85Å; E1223-K1228 IonicContact OE1-NZ 3.52Å; E1223-K1228 PolarHBondContact OE1-NZ 2.84Å; E1223-K1228 WeakPolarHBondContact OE2-CE 3.33Å; E1223-K1228 IonicContact OE2-NZ 3.32Å; E1223-K1228 PolarHBondContact OE2-NZ 2.81Å
1229	D	30.7	Very low	29.5	Very low	146.2 Å²	146.2	144.2 Å²	144.2	78%	0.782	74%	0.74	S	S	*	*	S	Bend	trans	-112.6	62.7	171.1	-73.4	-26.6	0	0	0	114.4
1230	F	31.4	Very low	29.5	Very low	187.8 Å²	187.8	142.9 Å²	142.9	82%	0.824	74%	0.743	S	S	*	*			trans	-134	98.5	155.8	-83.9	-79.3	0	0	0	113.5	E1232	F1230-E1232 PolarHBondContact O-N 3.33Å; F1230-E1232 VanDerWaalsContact O-N 3.1Å
1231	D	31.7	Very low	29.3	Very low	162.6 Å²	162.6	142.8 Å²	142.8	87%	0.87	75%	0.748	S	S	*	*			trans	-93.2	145.6	151.7	-94.1	-37.8	0	0	0	111.5	Q1233	D1231-Q1233 PolarHBondContact O-N 3.13Å; D1231-Q1233 VanDerWaalsContact O-N 3.08Å
1232	E	29.3	Very low	29.2	Very low	173 Å²	173	144.9 Å²	144.9	81%	0.808	75%	0.751	S	S	*	*	S	Bend	trans	9.2	107	170.5	-107.6	-179.1	172.9	0	0	117.9	F1230	F1230-E1232 PolarHBondContact O-N 3.33Å; F1230-E1232 VanDerWaalsContact O-N 3.1Å
1233	Q	28.5	Very low	29.1	Very low	172 Å²	172	144.4 Å²	144.4	80%	0.804	74%	0.743	S	S	*	*			trans	117.2	116.2	142.4	-76	167.2	55.2	0	0	117.1	D1231	D1231-Q1233 PolarHBondContact O-N 3.13Å; D1231-Q1233 VanDerWaalsContact O-N 3.08Å
1234	T	28.4	Very low	29.1	Very low	136 Å²	136	144.3 Å²	144.3	83%	0.834	74%	0.743	S	S	*	*			trans	104.7	95.3	149.6	36.4	0	0	0	0	115.8	S1236	T1234-S1236 PolarHBondContact O-N 2.93Å
1235	T	27.2	Very low	29.2	Very low	144.6 Å²	144.6	142.8 Å²	142.8	89%	0.887	74%	0.737	S	S	*	*			trans	-58.7	103.4	150.5	50.2	0	0	0	0	115.2
1236	S	29	Very low	29.1	Very low	109.6 Å²	109.6	140.9 Å²	140.9	77%	0.766	74%	0.738	S	S	*	*			trans	-132.5	118.8	145.4	52.8	0	0	0	0	109.6	T1234 E1238	T1234-S1236 PolarHBondContact O-N 2.93Å; S1236-E1238 PolarHBondContact O-N 2.94Å; S1236-E1238 VanDerWaalsContact O-N 3.11Å
1237	R	25.9	Very low	28.9	Very low	210.8 Å²	210.8	138.8 Å²	138.8	80%	0.795	73%	0.734	S	S	*	*			trans	-86.4	97.4	-177.2	178.3	-179.5	170.5	170.9	-2.5	109.6	Q1239	R1237-Q1239 HydrophobicContact CG-CG 4.31Å; R1237-Q1239 PolarHBondContact O-N 3.01Å
1238	E	27.3	Very low	28.7	Very low	162.4 Å²	162.4	137.9 Å²	137.9	76%	0.759	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-69.5	126.5	163.7	-70	-175.4	142.7	0	0	108.9	S1236 N1687	S1236-E1238 PolarHBondContact O-N 2.94Å; S1236-E1238 VanDerWaalsContact O-N 3.11Å; E1238-N1687 PolarHBondContact OE1-ND2 2.91Å
1239	Q	26.4	Very low	28.6	Very low	135.6 Å²	135.6	136.1 Å²	136.1	63%	0.634	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-87.8	141.5	173.7	-66.6	-170.8	-10	0	0	109.2	R1237 A1241	R1237-Q1239 HydrophobicContact CG-CG 4.31Å; R1237-Q1239 PolarHBondContact O-N 3.01Å; Q1239-A1241 PolarHBondContact O-N 3.03Å
1240	P	29.3	Very low	28.4	Very low	102 Å²	102	134.5 Å²	134.5	66%	0.662	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-61.6	131.9	168.7	10.5	-8.8	0	0	0	109.3	Q1242 W1276	P1240-Q1242 PolarHBondContact O-N 3.15Å; P1240-Q1242 VanDerWaalsContact O-N 3.09Å; P1240-W1276 HydrophobicContact CB-CH2 4.29Å; P1240-W1276 HydrophobicContact CG-CH2 3.94Å
1241	A	28.8	Very low	28.4	Very low	80 Å²	80	131.2 Å²	131.2	66%	0.661	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-56.9	127.6	-174.2	0	0	0	0	0	112.1	Q1239 F1243 V1681	Q1239-A1241 PolarHBondContact O-N 3.03Å; A1241-F1243 HydrophobicContact CB-CD2 4.31Å; A1241-F1243 HydrophobicContact CB-CE2 4.32Å; A1241-F1243 PolarHBondContact O-N 3.03Å; A1241-V1681 HydrophobicContact CB-CG1 4.48Å
1242	Q	28	Very low	28.5	Very low	149.2 Å²	149.2	131.9 Å²	131.9	70%	0.697	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-68.3	128.9	172.3	-70	174.7	-46.5	0	0	109.6	P1240 E1244 V1681	P1240-Q1242 PolarHBondContact O-N 3.15Å; P1240-Q1242 VanDerWaalsContact O-N 3.09Å; Q1242-E1244 VanDerWaalsContact C-N 3.26Å; Q1242-E1244 PolarHBondContact O-N 3.06Å; Q1242-V1681 HydrophobicContact CB-CG1 4.26Å; Q1242-V1681 WeakPolarHBondContact O-CG1 3.46Å; Q1242-V1681 PolarHBondContact OE1-O 2.92Å
1243	F	28.2	Very low	28.6	Very low	115.8 Å²	115.8	131.1 Å²	131.1	51%	0.508	72%	0.715	S	S	.	*			trans	-99.9	101.9	167.3	-124.3	-86.7	0	0	0	107.4	A1241 V1245 W1279	A1241-F1243 HydrophobicContact CB-CD2 4.31Å; A1241-F1243 HydrophobicContact CB-CE2 4.32Å; A1241-F1243 PolarHBondContact O-N 3.03Å; F1243-V1245 HydrophobicContact CD1-CB 4.21Å; F1243-V1245 HydrophobicContact CD1-CG2 3.76Å; F1243-V1245 HydrophobicContact CE1-CB 3.74Å; F1243-V1245 HydrophobicContact CE1-CG2 3.4Å; F1243-V1245 VanDerWaalsContact CE1-CG2 3.46Å; F1243-V1245 HydrophobicContact CZ-CG2 3.79Å; F1243-V1245 PolarHBondContact O-N 3.12Å; F1243-V1245 VanDerWaalsContact O-N 3.15Å; F1243-W1279 HydrophobicContact CD1-CH2 4.36Å; F1243-W1279 HydrophobicContact CD2-CH2 4.43Å; F1243-W1279 HydrophobicContact CD2-CZ3 4.5Å; F1243-W1279 HydrophobicContact CG-CH2 4.22Å; F1243-W1279 VanDerWaalsContact O-CH2 3.29Å; F1243-W1279 WeakPolarHBondContact O-CH2 3.4Å; F1243-W1279 WeakPolarHBondContact O-CZ3 3.24Å
1244	E	28.1	Very low	28.7	Very low	142.6 Å²	142.6	131 Å²	131	67%	0.666	71%	0.714	S	S	*	*			trans	-93.9	106	178.1	-170.2	166.7	-150.3	0	0	109.6	Q1242 G1246 W1279 L1678 V1681	Q1242-E1244 VanDerWaalsContact C-N 3.26Å; Q1242-E1244 PolarHBondContact O-N 3.06Å; E1244-G1246 PolarHBondContact O-N 2.85Å; E1244-W1279 HydrophobicContact CB-CH2 3.83Å; E1244-W1279 HydrophobicContact CG-CH2 3.89Å; E1244-W1279 HydrophobicContact CG-CZ2 4.45Å; E1244-L1678 HydrophobicContact CB-CD1 4.27Å; E1244-V1681 HydrophobicContact CB-CG1 4.03Å; E1244-V1681 HydrophobicContact CB-CG2 4.3Å
1245	V	30.5	Very low	28.9	Very low	88.2 Å²	88.2	134.3 Å²	134.3	54%	0.535	71%	0.713	S	S	.	*			trans	-98.9	119	169.9	176.7	0	0	0	0	107.7	F1243 V1247 F1298 Q1300	F1243-V1245 HydrophobicContact CD1-CB 4.21Å; F1243-V1245 HydrophobicContact CD1-CG2 3.76Å; F1243-V1245 HydrophobicContact CE1-CB 3.74Å; F1243-V1245 HydrophobicContact CE1-CG2 3.4Å; F1243-V1245 VanDerWaalsContact CE1-CG2 3.46Å; F1243-V1245 HydrophobicContact CZ-CG2 3.79Å; F1243-V1245 PolarHBondContact O-N 3.12Å; F1243-V1245 VanDerWaalsContact O-N 3.15Å; V1245-V1247 HydrophobicContact CG1-CG2 4.26Å; V1245-V1247 PolarHBondContact O-N 3.34Å; V1245-F1298 WeakPolarHBondContact CG1-O 2.9Å; V1245-F1298 HydrophobicContact CG2-CB 4.39Å; V1245-Q1300 HydrophobicContact CG1-CB 4.03Å
1246	G	27.1	Very low	29.3	Very low	71.6 Å²	71.6	134.2 Å²	134.2	74%	0.738	71%	0.705	S	S	*	*			trans	-12.7	83.9	175.7	0	0	0	0	0	115.9	E1244 Q1300	E1244-G1246 PolarHBondContact O-N 2.85Å; G1246-Q1300 PolarHBondContact O-OE1 2.74Å
1247	V	28.9	Very low	29.3	Very low	108 Å²	108	134.8 Å²	134.8	66%	0.655	71%	0.71	S	S	*	*			trans	-120.2	123.9	153.6	-179	0	0	0	0	107.7	V1245 L1249 Q1300	V1245-V1247 HydrophobicContact CG1-CG2 4.26Å; V1245-V1247 PolarHBondContact O-N 3.34Å; V1247-L1249 PolarHBondContact O-N 3.28Å; V1247-L1249 VanDerWaalsContact O-N 3.1Å; V1247-Q1300 VanDerWaalsContact CG2-CD 3.41Å
1248	D	26.1	Very low	29.6	Very low	125 Å²	125	129.7 Å²	129.7	67%	0.668	71%	0.707	S	S	*	*			trans	-57.7	106.5	-178.1	-166.6	-7.5	0	0	0	112.4	T1250	D1248-T1250 PolarHBondContact O-N 2.85Å; D1248-T1250 VanDerWaalsContact OD1-CB 3.3Å; D1248-T1250 WeakPolarHBondContact OD1-CB 3.39Å; D1248-T1250 VanDerWaalsContact OD1-CG2 3.3Å; D1248-T1250 WeakPolarHBondContact OD1-CG2 3.45Å; D1248-T1250 PolarHBondContact OD1-N 3.32Å; D1248-T1250 PolarHBondContact OD1-OG1 3Å
1249	L	30	Very low	30	Very low	134.4 Å²	134.4	127.2 Å²	127.2	70%	0.704	71%	0.707	S	S	*	*			trans	-111.5	41.1	175	-108.2	124.9	0	0	0	112.1	V1247 T1251 F1252	V1247-L1249 PolarHBondContact O-N 3.28Å; V1247-L1249 VanDerWaalsContact O-N 3.1Å; L1249-T1251 PolarHBondContact O-N 3.24Å; L1249-T1251 VanDerWaalsContact O-N 3.09Å; L1249-F1252 HydrophobicContact CD2-CB 4.31Å; L1249-F1252 PolarHBondContact O-N 2.66Å
1250	T	27.2	Very low	30.3	Very low	113.8 Å²	113.8	127.4 Å²	127.4	70%	0.698	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	21.8	173.7	54.5	0	0	0	0	113.4	D1248 F1252	D1248-T1250 PolarHBondContact O-N 2.85Å; D1248-T1250 VanDerWaalsContact OD1-CB 3.3Å; D1248-T1250 WeakPolarHBondContact OD1-CB 3.39Å; D1248-T1250 VanDerWaalsContact OD1-CG2 3.3Å; D1248-T1250 WeakPolarHBondContact OD1-CG2 3.45Å; D1248-T1250 PolarHBondContact OD1-N 3.32Å; D1248-T1250 PolarHBondContact OD1-OG1 3Å; T1250-F1252 VanDerWaalsContact C-N 3.31Å; T1250-F1252 PolarHBondContact O-N 3.19Å
1251	T	30.7	Very low	30.5	Very low	119 Å²	119	129.6 Å²	129.6	73%	0.73	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	19.5	-175	-27.8	0	0	0	0	116.5	L1249	L1249-T1251 PolarHBondContact O-N 3.24Å; L1249-T1251 VanDerWaalsContact O-N 3.09Å
1252	F	32.9	Very low	30.7	Very low	177.2 Å²	177.2	134.2 Å²	134.2	78%	0.777	72%	0.719	S	S	*	*	S	Bend	trans	-126.1	8.1	172.1	-108.8	-83.5	0	0	0	115.5	L1249 T1250	L1249-F1252 HydrophobicContact CD2-CB 4.31Å; L1249-F1252 PolarHBondContact O-N 2.66Å; T1250-F1252 VanDerWaalsContact C-N 3.31Å; T1250-F1252 PolarHBondContact O-N 3.19Å
1253	N	32.1	Very low	30.9	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	73%	0.726	S	S	*	*			trans	-99.3	20.5	-178.3	-82.5	-21.4	0	0	0	115.1	Y1255	N1253-Y1255 PolarHBondContact O-N 2.88Å
1254	E	30.8	Very low	31.1	Very low	170.4 Å²	170.4	138.5 Å²	138.5	80%	0.796	74%	0.738	S	S	*	*	S	Bend	trans	-84.6	36.7	167	-145.4	-178.6	-170.4	0	0	113
1255	Y	32	Very low	31.4	Very low	204.2 Å²	204.2	136.5 Å²	136.5	80%	0.801	74%	0.737	S	S	*	*	S	Bend	trans	-140.8	62.5	168.8	-103.7	-90.6	0	0	0	115	N1253	N1253-Y1255 PolarHBondContact O-N 2.88Å
1256	I	35.8	Very low	31.5	Very low	143 Å²	143	139.6 Å²	139.6	73%	0.733	75%	0.751	S	S	*	*			trans	-143	80.4	148.2	-67	166.5	0	0	0	111.5	S1258	I1256-S1258 WeakPolarHBondContact CG2-OG 3.3Å; I1256-S1258 PolarHBondContact O-N 3.39Å
1257	S	30.1	Very low	31.7	Very low	122.4 Å²	122.4	146.8 Å²	146.8	86%	0.856	76%	0.756	S	S	*	*	S	Bend	trans	-111.6	70.8	165.4	-69.3	0	0	0	0	110.9
1258	S	32.1	Very low	31.9	Very low	104.6 Å²	104.6	150.6 Å²	150.6	73%	0.731	76%	0.764	S	S	*	*			trans	-170.3	116.9	168.3	52.6	0	0	0	0	113.4	I1256	I1256-S1258 WeakPolarHBondContact CG2-OG 3.3Å; I1256-S1258 PolarHBondContact O-N 3.39Å
1259	S	33.9	Very low	32.2	Very low	108.6 Å²	108.6	151.5 Å²	151.5	76%	0.759	77%	0.768	S	S	*	*			trans	63.3	117.8	168	64.6	0	0	0	0	116
1260	D	33.1	Very low	32.4	Very low	141.4 Å²	141.4	153 Å²	153	76%	0.756	77%	0.771	S	S	*	*				23.1	137.9	124.8	-90.6	-20.1	0	0	0	116.5
1261	Q	33.6	Very low	32.9	Very low	148.2 Å²	148.2	154.7 Å²	154.7	69%	0.693	78%	0.776	S	S	*	*			trans	97.9	141.7	135	-74	172.4	34.2	0	0	119
1262	F	34	Very low	33.2	Very low	174.6 Å²	174.6	157.1 Å²	157.1	77%	0.766	78%	0.779	S	S	*	*			trans	85.6	110.8	157.7	-66.9	-64.3	0	0	0	121.6	N1264	F1262-N1264 PolarHBondContact O-N 3.01Å
1263	Y	32.5	Very low	33.7	Very low	215.8 Å²	215.8	152.2 Å²	152.2	85%	0.846	77%	0.766	S	S	*	*			trans	16.7	118.6	149.8	-81.4	-92.7	0	0	0	118.2
1264	N	31.6	Very low	34.1	Very low	140.2 Å²	140.2	149.6 Å²	149.6	75%	0.75	76%	0.756	S	S	*	*				152.9	119.3	126.3	-152.7	9.9	0	0	0	114.1	F1262 N1266	F1262-N1264 PolarHBondContact O-N 3.01Å; N1264-N1266 VanDerWaalsContact C-N 3.31Å; N1264-N1266 PolarHBondContact O-N 2.92Å
1265	P	33.9	Very low	34.6	Very low	100 Å²	100	147.3 Å²	147.3	65%	0.649	75%	0.745	S	S	*	*			trans	-97.2	153.1	167.3	36.9	-32.3	0	0	0	113.6	R1267	P1265-R1267 PolarHBondContact O-N 2.94Å
1266	N	32.6	Very low	34.9	Very low	155.2 Å²	155.2	145 Å²	145	83%	0.83	74%	0.735	S	S	*	*			trans	94.9	81	174.6	-65.5	-35.8	0	0	0	116.7	N1264	N1264-N1266 VanDerWaalsContact C-N 3.31Å; N1264-N1266 PolarHBondContact O-N 2.92Å
1267	R	31.3	Very low	35.1	Very low	222.6 Å²	222.6	141.5 Å²	141.5	84%	0.84	72%	0.724	S	S	*	*			trans	-178.8	130.3	162.3	-103.7	173.3	-175.7	-159.4	0.3	112.5	P1265	P1265-R1267 PolarHBondContact O-N 2.94Å
1268	F	34.1	Very low	35.5	Very low	187.6 Å²	187.6	140.5 Å²	140.5	82%	0.823	71%	0.708	S	S	*	*			trans	-168.8	121.2	139.3	-67.1	-82.4	0	0	0	112.6
1269	N	31.9	Very low	35.7	Very low	143.8 Å²	143.8	142.2 Å²	142.2	77%	0.769	70%	0.698	S	S	*	*			trans	-131.1	122.5	131.4	-88.3	-6.6	0	0	0	113.3
1270	H	33.6	Very low	35.9	Very low	165.2 Å²	165.2	142 Å²	142	77%	0.765	69%	0.689	S	S	*	*			trans	51.2	99.6	158	-68.2	-15.4	0	0	0	118.1	S1273	H1270-S1273 WeakPolarHBondContact O-CB 3.41Å; H1270-S1273 PolarHBondContact O-N 3.07Å; H1270-S1273 PolarHBondContact O-OG 2.8Å
1271	D	37.2	Very low	36	Very low	150.6 Å²	150.6	142.5 Å²	142.5	81%	0.805	69%	0.687	S	S	*	*			trans	-150.6	7.6	134.3	-90.2	-29.7	0	0	0	113.8	S1273 V1274	D1271-S1273 PolarHBondContact O-N 3.03Å; D1271-V1274 PolarHBondContact O-N 3.44Å
1272	H	38.6	Very low	36	Very low	168.4 Å²	168.4	139 Å²	139	78%	0.78	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	44.4	174.8	-69.8	-68.3	0	0	0	113.6	V1274 E1275 W1276	H1272-V1274 VanDerWaalsContact C-N 3.35Å; H1272-V1274 PolarHBondContact O-N 3.08Å; H1272-E1275 IonicContact ND1-OE2 3.28Å; H1272-E1275 PolarHBondContact ND1-OE2 2.86Å; H1272-W1276 WeakPolarHBondContact O-CB 3.48Å; H1272-W1276 PolarHBondContact O-N 2.94Å
1273	S	42.1	Very low	36	Very low	73.6 Å²	73.6	135.3 Å²	135.3	52%	0.515	67%	0.671	S	S	.	*			trans	-94.8	14.7	-172.3	166.4	0	0	0	0	111.5	H1270 D1271 E1275 W1276 S1277	H1270-S1273 WeakPolarHBondContact O-CB 3.41Å; H1270-S1273 PolarHBondContact O-N 3.07Å; H1270-S1273 PolarHBondContact O-OG 2.8Å; D1271-S1273 PolarHBondContact O-N 3.03Å; S1273-E1275 PolarHBondContact O-N 2.9Å; S1273-E1275 WeakPolarHBondContact OG-CB 3.47Å; S1273-E1275 PolarHBondContact OG-N 3.44Å; S1273-E1275 PolarHBondContact OG-OE2 3.3Å; S1273-W1276 PolarHBondContact O-N 3.33Å; S1273-W1276 PolarHBondContact OG-N 3.48Å; S1273-S1277 VanDerWaalsContact O-CB 3.27Å; S1273-S1277 WeakPolarHBondContact O-CB 3.27Å; S1273-S1277 PolarHBondContact O-N 2.82Å; S1273-S1277 PolarHBondContact O-OG 3.39Å
1274	V	41.9	Very low	36.3	Very low	102 Å²	102	128 Å²	128	62%	0.618	65%	0.651	S	S	*	*	H	α-helix	trans	-69.9	-37.4	179.7	178.4	0	0	0	0	110.9	D1271 H1272 W1276 S1277 L1278	D1271-V1274 PolarHBondContact O-N 3.44Å; H1272-V1274 VanDerWaalsContact C-N 3.35Å; H1272-V1274 PolarHBondContact O-N 3.08Å; V1274-W1276 VanDerWaalsContact C-N 3.32Å; V1274-W1276 PolarHBondContact O-N 3.46Å; V1274-S1277 PolarHBondContact O-N 3.19Å; V1274-S1277 VanDerWaalsContact O-N 3.16Å; V1274-L1278 HydrophobicContact CG1-CD1 4.1Å; V1274-L1278 HydrophobicContact CG1-CG 4.29Å; V1274-L1278 WeakPolarHBondContact O-CG 3.37Å; V1274-L1278 PolarHBondContact O-N 2.94Å; V1274-L1278 VanDerWaalsContact O-N 3.16Å
1275	E	40.3	Very low	37	Very low	121.8 Å²	121.8	129.8 Å²	129.8	57%	0.569	65%	0.652	S	S	*	*	H	α-helix	trans	-59	-46.2	176.8	-167.1	165.2	-141.5	0	0	112.1	H1272 S1273 S1277 L1278 W1279	H1272-E1275 IonicContact ND1-OE2 3.28Å; H1272-E1275 PolarHBondContact ND1-OE2 2.86Å; S1273-E1275 PolarHBondContact O-N 2.9Å; S1273-E1275 WeakPolarHBondContact OG-CB 3.47Å; S1273-E1275 PolarHBondContact OG-N 3.44Å; S1273-E1275 PolarHBondContact OG-OE2 3.3Å; E1275-S1277 VanDerWaalsContact C-N 3.29Å; E1275-S1277 PolarHBondContact O-N 3.31Å; E1275-S1277 VanDerWaalsContact O-N 3.11Å; E1275-L1278 PolarHBondContact O-N 3.19Å; E1275-L1278 VanDerWaalsContact O-N 3.12Å; E1275-W1279 VanDerWaalsContact C-CD1 3.44Å; E1275-W1279 VanDerWaalsContact CG-NE1 3.29Å; E1275-W1279 WeakPolarHBondContact O-CB 3.36Å; E1275-W1279 VanDerWaalsContact O-CD1 3.26Å; E1275-W1279 PolarHBondContact O-N 3.12Å
1276	W	38.3	Very low	37.9	Very low	156 Å²	156	131.6 Å²	131.6	59%	0.591	65%	0.652	S	S	*	*	H	α-helix	trans	-63	-34.3	176.4	-126	100.1	0	0	0	113.2	P1240 H1272 S1273 V1274 W1279 N1280	P1240-W1276 HydrophobicContact CB-CH2 4.29Å; P1240-W1276 HydrophobicContact CG-CH2 3.94Å; H1272-W1276 WeakPolarHBondContact O-CB 3.48Å; H1272-W1276 PolarHBondContact O-N 2.94Å; S1273-W1276 PolarHBondContact O-N 3.33Å; S1273-W1276 PolarHBondContact OG-N 3.48Å; V1274-W1276 VanDerWaalsContact C-N 3.32Å; V1274-W1276 PolarHBondContact O-N 3.46Å; W1276-W1279 PolarHBondContact O-N 3.1Å; W1276-N1280 HydrophobicContact CE3-CB 4.44Å; W1276-N1280 HydrophobicContact CZ3-CB 4.28Å; W1276-N1280 WeakPolarHBondContact CZ3-ND2 3.23Å; W1276-N1280 WeakPolarHBondContact O-CB 3.38Å; W1276-N1280 PolarHBondContact O-N 3.02Å
1277	S	40.5	Very low	39.3	Very low	69.4 Å²	69.4	127.6 Å²	127.6	49%	0.485	63%	0.63	S	S	.	*	H	α-helix	trans	-73	-31.9	176.1	-63.4	0	0	0	0	112.6	S1273 V1274 E1275 Q1281	S1273-S1277 VanDerWaalsContact O-CB 3.27Å; S1273-S1277 WeakPolarHBondContact O-CB 3.27Å; S1273-S1277 PolarHBondContact O-N 2.82Å; S1273-S1277 PolarHBondContact O-OG 3.39Å; V1274-S1277 PolarHBondContact O-N 3.19Å; V1274-S1277 VanDerWaalsContact O-N 3.16Å; E1275-S1277 VanDerWaalsContact C-N 3.29Å; E1275-S1277 PolarHBondContact O-N 3.31Å; E1275-S1277 VanDerWaalsContact O-N 3.11Å; S1277-Q1281 VanDerWaalsContact O-CG 3.25Å; S1277-Q1281 WeakPolarHBondContact O-CG 3.34Å; S1277-Q1281 PolarHBondContact O-N 3.19Å; S1277-Q1281 PolarHBondContact O-NE2 3.22Å
1278	L	38.2	Very low	40.9	Very low	100.6 Å²	100.6	119.1 Å²	119.1	53%	0.527	60%	0.604	S	S	.	*	H	α-helix	trans	-72.9	-39.5	172.9	-74.3	166.3	0	0	0	111.6	V1274 E1275 N1280 Q1281 A1282	V1274-L1278 HydrophobicContact CG1-CD1 4.1Å; V1274-L1278 HydrophobicContact CG1-CG 4.29Å; V1274-L1278 WeakPolarHBondContact O-CG 3.37Å; V1274-L1278 PolarHBondContact O-N 2.94Å; V1274-L1278 VanDerWaalsContact O-N 3.16Å; E1275-L1278 PolarHBondContact O-N 3.19Å; E1275-L1278 VanDerWaalsContact O-N 3.12Å; L1278-N1280 VanDerWaalsContact C-N 3.31Å; L1278-N1280 PolarHBondContact O-N 3.11Å; L1278-Q1281 CarbonylContact O-C 3.54Å; L1278-Q1281 WeakPolarHBondContact O-CA 3.28Å; L1278-Q1281 WeakPolarHBondContact O-CB 3.5Å; L1278-Q1281 PolarHBondContact O-N 3.06Å; L1278-Q1281 VanDerWaalsContact O-N 3.12Å; L1278-A1282 WeakPolarHBondContact O-CB 3.29Å; L1278-A1282 PolarHBondContact O-N 3.03Å; L1278-A1282 VanDerWaalsContact O-N 3.15Å
1279	W	36.1	Very low	42.8	Very low	140.2 Å²	140.2	112.5 Å²	112.5	53%	0.531	58%	0.575	S	S	.	*	H	α-helix	trans	-58.6	-42	175.3	-94.4	83.8	0	0	0	112.9	F1243 E1244 E1275 W1276 Q1281 A1282 N1283	F1243-W1279 HydrophobicContact CD1-CH2 4.36Å; F1243-W1279 HydrophobicContact CD2-CH2 4.43Å; F1243-W1279 HydrophobicContact CD2-CZ3 4.5Å; F1243-W1279 HydrophobicContact CG-CH2 4.22Å; F1243-W1279 VanDerWaalsContact O-CH2 3.29Å; F1243-W1279 WeakPolarHBondContact O-CH2 3.4Å; F1243-W1279 WeakPolarHBondContact O-CZ3 3.24Å; E1244-W1279 HydrophobicContact CB-CH2 3.83Å; E1244-W1279 HydrophobicContact CG-CH2 3.89Å; E1244-W1279 HydrophobicContact CG-CZ2 4.45Å; E1275-W1279 VanDerWaalsContact C-CD1 3.44Å; E1275-W1279 VanDerWaalsContact CG-NE1 3.29Å; E1275-W1279 WeakPolarHBondContact O-CB 3.36Å; E1275-W1279 VanDerWaalsContact O-CD1 3.26Å; E1275-W1279 PolarHBondContact O-N 3.12Å; W1276-W1279 PolarHBondContact O-N 3.1Å; W1279-Q1281 VanDerWaalsContact C-N 3.3Å; W1279-Q1281 PolarHBondContact O-N 3.06Å; W1279-Q1281 VanDerWaalsContact O-N 3.07Å; W1279-A1282 PolarHBondContact O-N 2.94Å; W1279-A1282 VanDerWaalsContact O-N 3.12Å; W1279-N1283 WeakPolarHBondContact O-CB 3.45Å; W1279-N1283 PolarHBondContact O-N 2.91Å; W1279-N1283 VanDerWaalsContact O-N 3.1Å; W1279-N1283 PolarHBondContact O-ND2 3.23Å; W1279-N1283 VanDerWaalsContact O-ND2 3.14Å
1280	N	37.5	Very low	45.2	Very low	104 Å²	104	107.2 Å²	107.2	56%	0.556	55%	0.546	S	S	*	.	H	α-helix	trans	-68.6	-16.9	174.5	-85.8	-5	0	0	0	114.1	W1276 L1278	W1276-N1280 HydrophobicContact CE3-CB 4.44Å; W1276-N1280 HydrophobicContact CZ3-CB 4.28Å; W1276-N1280 WeakPolarHBondContact CZ3-ND2 3.23Å; W1276-N1280 WeakPolarHBondContact O-CB 3.38Å; W1276-N1280 PolarHBondContact O-N 3.02Å; L1278-N1280 VanDerWaalsContact C-N 3.31Å; L1278-N1280 PolarHBondContact O-N 3.11Å
1281	Q	36.9	Very low	47.7	Very low	152.6 Å²	152.6	99.7 Å²	99.7	71%	0.713	51%	0.513	S	S	*	.	H	α-helix	trans	-93.7	-20.5	174.8	-70.8	179.1	5.2	0	0	113.2	S1277 L1278 W1279	S1277-Q1281 VanDerWaalsContact O-CG 3.25Å; S1277-Q1281 WeakPolarHBondContact O-CG 3.34Å; S1277-Q1281 PolarHBondContact O-N 3.19Å; S1277-Q1281 PolarHBondContact O-NE2 3.22Å; L1278-Q1281 CarbonylContact O-C 3.54Å; L1278-Q1281 WeakPolarHBondContact O-CA 3.28Å; L1278-Q1281 WeakPolarHBondContact O-CB 3.5Å; L1278-Q1281 PolarHBondContact O-N 3.06Å; L1278-Q1281 VanDerWaalsContact O-N 3.12Å; W1279-Q1281 VanDerWaalsContact C-N 3.3Å; W1279-Q1281 PolarHBondContact O-N 3.06Å; W1279-Q1281 VanDerWaalsContact O-N 3.07Å
1282	A	32.6	Very low	50	Low	75.2 Å²	75.2	93.4 Å²	93.4	62%	0.621	48%	0.479	S	S	*	.	H	α-helix	trans	-100.3	-14.9	-173.9	0	0	0	0	0	114.7	L1278 W1279	L1278-A1282 WeakPolarHBondContact O-CB 3.29Å; L1278-A1282 PolarHBondContact O-N 3.03Å; L1278-A1282 VanDerWaalsContact O-N 3.15Å; W1279-A1282 PolarHBondContact O-N 2.94Å; W1279-A1282 VanDerWaalsContact O-N 3.12Å
1283	N	35.3	Very low	52	Low	95.6 Å²	95.6	86.6 Å²	86.6	51%	0.511	45%	0.449	S	S	.	.	S	Bend	trans	-65.2	136.7	178.8	-116	-27.7	0	0	0	111	W1279 K1285	W1279-N1283 WeakPolarHBondContact O-CB 3.45Å; W1279-N1283 PolarHBondContact O-N 2.91Å; W1279-N1283 VanDerWaalsContact O-N 3.1Å; W1279-N1283 PolarHBondContact O-ND2 3.23Å; W1279-N1283 VanDerWaalsContact O-ND2 3.14Å; N1283-K1285 PolarHBondContact O-N 2.93Å; N1283-K1285 VanDerWaalsContact O-N 3.14Å
1284	P	38.7	Very low	53.5	Low	64 Å²	64	85.4 Å²	85.4	42%	0.416	44%	0.438	S	S	.	.			trans	-59.5	126.4	173	15.5	-19.8	0	0	0	109.2	Q1286 V1293 V1294	P1284-Q1286 VanDerWaalsContact C-N 3.31Å; P1284-Q1286 PolarHBondContact O-N 3.03Å; P1284-Q1286 VanDerWaalsContact O-N 3.09Å; P1284-V1293 HydrophobicContact CB-CG1 3.93Å; P1284-V1294 WeakPolarHBondContact CA-O 3.2Å; P1284-V1294 VanDerWaalsContact CB-O 3.23Å; P1284-V1294 WeakPolarHBondContact CB-O 3.43Å; P1284-V1294 HydrophobicContact CG-CG1 4.46Å; P1284-V1294 WeakPolarHBondContact CG-O 3.19Å
1285	K	44.8	Very low	54.7	Low	177.6 Å²	177.6	85.2 Å²	85.2	77%	0.772	43%	0.427	S	S	*	.			trans	-54.2	113	175.2	-66	178.9	179.5	177.7	0	108.2	E1219 N1283 N1287	E1219-K1285 VanDerWaalsContact OE1-CD 3.3Å; E1219-K1285 WeakPolarHBondContact OE1-CD 3.46Å; E1219-K1285 WeakPolarHBondContact OE1-CE 3.24Å; E1219-K1285 IonicContact OE1-NZ 3.65Å; E1219-K1285 PolarHBondContact OE1-NZ 3.46Å; E1219-K1285 IonicContact OE2-NZ 2.77Å; E1219-K1285 PolarHBondContact OE2-NZ 3.41Å; N1283-K1285 PolarHBondContact O-N 2.93Å; N1283-K1285 VanDerWaalsContact O-N 3.14Å; K1285-N1287 PolarHBondContact O-N 3.04Å
1286	Q	53.9	Low	55.6	Low	138 Å²	138	83.5 Å²	83.5	65%	0.645	42%	0.419	S	S	*	.			trans	-61.3	104.4	178.2	-71.7	-178.1	-2.9	0	0	108.7	P1284 C1288	P1284-Q1286 VanDerWaalsContact C-N 3.31Å; P1284-Q1286 PolarHBondContact O-N 3.03Å; P1284-Q1286 VanDerWaalsContact O-N 3.09Å; Q1286-C1288 PolarHBondContact O-N 3Å; Q1286-C1288 VanDerWaalsContact O-N 3.14Å
1287	N	62	Low	56.3	Low	71.8 Å²	71.8	78.5 Å²	78.5	38%	0.384	40%	0.403	S	S	.	.			trans	-78.3	103.7	-179.8	-175.9	2	0	0	0	108.3	K1285 F1289 I1290 H1319	K1285-N1287 PolarHBondContact O-N 3.04Å; N1287-F1289 PolarHBondContact O-N 2.94Å; N1287-F1289 VanDerWaalsContact O-N 3.1Å; N1287-F1289 VanDerWaalsContact OD1-CB 3.22Å; N1287-F1289 WeakPolarHBondContact OD1-CB 3.28Å; N1287-F1289 VanDerWaalsContact OD1-CD2 3.3Å; N1287-F1289 WeakPolarHBondContact OD1-CD2 3.37Å; N1287-F1289 PolarHBondContact OD1-N 2.97Å; N1287-F1289 VanDerWaalsContact OD1-N 3.11Å; N1287-I1290 HydrophobicContact CB-CD1 4.22Å; N1287-I1290 HydrophobicContact CB-CG1 4.08Å; N1287-I1290 PolarHBondContact O-N 3.04Å; N1287-H1319 PolarHBondContact O-NE2 3.01Å; N1287-H1319 VanDerWaalsContact O-NE2 3.12Å
1288	C	64.5	Low	56.7	Low	42.4 Å²	42.4	82.2 Å²	82.2	29%	0.286	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-1.9	177.8	18.1	0	0	0	0	113.6	Q1286 I1290 Y1323	Q1286-C1288 PolarHBondContact O-N 3Å; Q1286-C1288 VanDerWaalsContact O-N 3.14Å; C1288-I1290 PolarHBondContact O-N 3.41Å; C1288-Y1323 VanDerWaalsContact O-CA 3.28Å; C1288-Y1323 WeakPolarHBondContact O-CA 3.39Å; C1288-Y1323 WeakPolarHBondContact O-CD2 3.27Å
1289	F	74.2	Confident	57.3	Low	49.2 Å²	49.2	79.4 Å²	79.4	22%	0.216	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	2.2	176.4	-56.2	-77.1	0	0	0	113.6	V1218 N1287 Y1323 S1326 H1330 H1610	V1218-F1289 HydrophobicContact CB-CZ 4.5Å; V1218-F1289 HydrophobicContact CG1-CE1 4.04Å; V1218-F1289 HydrophobicContact CG1-CE2 4.32Å; V1218-F1289 HydrophobicContact CG1-CZ 3.78Å; V1218-F1289 VanDerWaalsContact CG1-CZ 3.47Å; N1287-F1289 PolarHBondContact O-N 2.94Å; N1287-F1289 VanDerWaalsContact O-N 3.1Å; N1287-F1289 VanDerWaalsContact OD1-CB 3.22Å; N1287-F1289 WeakPolarHBondContact OD1-CB 3.28Å; N1287-F1289 VanDerWaalsContact OD1-CD2 3.3Å; N1287-F1289 WeakPolarHBondContact OD1-CD2 3.37Å; N1287-F1289 PolarHBondContact OD1-N 2.97Å; N1287-F1289 VanDerWaalsContact OD1-N 3.11Å; F1289-Y1323 VanDerWaalsContact C-CD2 3.48Å; F1289-Y1323 WeakPolarHBondContact O-CD2 3.42Å; F1289-Y1323 VanDerWaalsContact O-CE2 3.32Å; F1289-Y1323 WeakPolarHBondContact O-CE2 3.31Å; F1289-S1326 VanDerWaalsContact CD1-OG 3.23Å; F1289-S1326 WeakPolarHBondContact CD1-OG 3.33Å; F1289-S1326 WeakPolarHBondContact CE1-OG 3.45Å; F1289-H1330 AromaticContact CD1-CD2 3.84Å; F1289-H1330 AromaticContact CE1-CD2 3.21Å; F1289-H1330 WeakPolarHBondContact CE1-CD2 3.3Å; F1289-H1330 AromaticContact CE1-NE2 3.45Å; F1289-H1330 WeakPolarHBondContact CE1-NE2 3.44Å; F1289-H1330 AromaticContact CZ-CD2 3.91Å; F1289-H1330 AromaticContact CZ-NE2 3.63Å; F1289-H1610 PolarHBondContact O-CE1 3.17Å
1290	I	82.4	Confident	58	Low	32.2 Å²	32.2	80.2 Å²	80.2	17%	0.165	41%	0.412	C	S	.	.	S	Bend	trans	-132.9	148.5	175	47	178	0	0	0	109.7	N1287 C1288 L1292 H1319 Y1323 Y1618	N1287-I1290 HydrophobicContact CB-CD1 4.22Å; N1287-I1290 HydrophobicContact CB-CG1 4.08Å; N1287-I1290 PolarHBondContact O-N 3.04Å; C1288-I1290 PolarHBondContact O-N 3.41Å; I1290-L1292 HydrophobicContact CD1-CB 4.37Å; I1290-L1292 HydrophobicContact CG2-CB 3.97Å; I1290-L1292 HydrophobicContact CG2-CG 4.36Å; I1290-L1292 PolarHBondContact O-N 3Å; I1290-H1319 PolarHBondContact O-CE1 2.88Å; I1290-H1319 VanDerWaalsContact O-CE1 3.24Å; I1290-H1319 PolarHBondContact O-NE2 3.04Å; I1290-Y1323 VanDerWaalsContact C-CD2 3.43Å; I1290-Y1618 HydrophobicContact CB-CE1 4.46Å; I1290-Y1618 HydrophobicContact CG2-CE1 4.33Å; I1290-Y1618 HydrophobicContact CG2-CE2 3.91Å; I1290-Y1618 VanDerWaalsContact CG2-OH 3.32Å; I1290-Y1618 WeakPolarHBondContact CG2-OH 3.19Å
1291	P	85.4	Confident	58.6	Low	9.2 Å²	9.2	82.7 Å²	82.7	6%	0.06	43%	0.425	C	S	.	.	S	Bend	trans	-78.4	2.7	178.7	31.8	-34.7	0	0	0	113.7	G1315 M1320 Y1323 Y1618 E1620 A1697	P1291-G1315 PolarHBondContact O-N 3.24Å; P1291-M1320 HydrophobicContact CB-CE 3.86Å; P1291-M1320 HydrophobicContact CB-SD 3.94Å; P1291-M1320 VanDerWaalsContact O-SD 3.38Å; P1291-Y1323 HydrophobicContact CB-CD1 3.77Å; P1291-Y1323 HydrophobicContact CB-CD2 4.47Å; P1291-Y1323 HydrophobicContact CB-CE1 3.82Å; P1291-Y1323 HydrophobicContact CB-CE2 4.39Å; P1291-Y1323 HydrophobicContact CB-CG 4.32Å; P1291-Y1323 HydrophobicContact CG-CD1 4.33Å; P1291-Y1323 HydrophobicContact CG-CE1 4.03Å; P1291-Y1323 HydrophobicContact CG-CE2 4.39Å; P1291-Y1618 HydrophobicContact CG-CD1 3.94Å; P1291-Y1618 HydrophobicContact CG-CG 4.26Å; P1291-E1620 HydrophobicContact CB-CB 4.21Å; P1291-A1697 HydrophobicContact CB-CB 3.89Å; P1291-A1697 HydrophobicContact CG-CB 4.08Å
1292	L	85.1	Confident	59	Low	17.4 Å²	17.4	76.9 Å²	76.9	9%	0.091	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.9	-173.4	-63.5	172.2	0	0	0	111.7	I1290 Y1312 Y1313 Y1618 A1697 E1699 T1721	I1290-L1292 HydrophobicContact CD1-CB 4.37Å; I1290-L1292 HydrophobicContact CG2-CB 3.97Å; I1290-L1292 HydrophobicContact CG2-CG 4.36Å; I1290-L1292 PolarHBondContact O-N 3Å; L1292-Y1312 HydrophobicContact CB-CD1 4.34Å; L1292-Y1312 HydrophobicContact CD1-CD1 4.24Å; L1292-Y1312 HydrophobicContact CD1-CG 4.37Å; L1292-Y1313 CarbonylContact C-O 3.56Å; L1292-Y1313 VanDerWaalsContact CA-O 3.24Å; L1292-Y1313 WeakPolarHBondContact CA-O 3.37Å; L1292-Y1618 HydrophobicContact CD1-CE1 4.32Å; L1292-A1697 HydrophobicContact CD2-CB 3.71Å; L1292-A1697 HydrophobicContact CG-CB 4.41Å; L1292-E1699 HydrophobicContact CD1-CB 3.98Å; L1292-T1721 HydrophobicContact CD2-CG2 3.5Å; L1292-T1721 VanDerWaalsContact CD2-CG2 3.47Å; L1292-T1721 WeakPolarHBondContact CD2-OG1 3.42Å
1293	V	80.6	Confident	59.6	Low	25.2 Å²	25.2	77.6 Å²	77.6	15%	0.153	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.8	170.4	176.8	0	0	0	0	109	P1284 R1295 Y1313 H1319	P1284-V1293 HydrophobicContact CB-CG1 3.93Å; V1293-R1295 HydrophobicContact CG1-CG 4.49Å; V1293-Y1313 PolarHBondContact N-O 3.13Å; V1293-Y1313 PolarHBondContact O-N 3.04Å; V1293-H1319 HydrophobicContact CG2-CB 4.35Å
1294	V	73.8	Confident	60.1	Low	48.8 Å²	48.8	81.9 Å²	81.9	30%	0.296	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.2	178.5	179.1	0	0	0	0	110.1	P1284 Q1296 I1310 Y1312	P1284-V1294 WeakPolarHBondContact CA-O 3.2Å; P1284-V1294 VanDerWaalsContact CB-O 3.23Å; P1284-V1294 WeakPolarHBondContact CB-O 3.43Å; P1284-V1294 HydrophobicContact CG-CG1 4.46Å; P1284-V1294 WeakPolarHBondContact CG-O 3.19Å; V1294-Q1296 HydrophobicContact CG1-CG 4.5Å; V1294-I1310 HydrophobicContact CG1-CG2 3.64Å; V1294-I1310 VanDerWaalsContact CG1-CG2 3.44Å; V1294-I1310 HydrophobicContact CG2-CG2 4.3Å; V1294-Y1312 HydrophobicContact CG1-CD1 4.48Å; V1294-Y1312 HydrophobicContact CG1-CE1 4.31Å; V1294-Y1312 HydrophobicContact CG2-CD1 3.8Å; V1294-Y1312 HydrophobicContact CG2-CE1 3.73Å
1295	R	66.7	Low	60.3	Low	98.2 Å²	98.2	84.1 Å²	84.1	37%	0.371	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.5	166.3	-64.5	-171.4	-179.6	167.5	-1.4	109.9	V1293 T1311 Y1313	V1293-R1295 HydrophobicContact CG1-CG 4.49Å; R1295-T1311 PolarHBondContact N-O 3.08Å; R1295-T1311 PolarHBondContact O-N 3.17Å; R1295-Y1313 HydrophobicContact CB-CD2 4.28Å; R1295-Y1313 HydrophobicContact CB-CE2 4.05Å; R1295-Y1313 VanDerWaalsContact CD-CE2 3.45Å; R1295-Y1313 HydrophobicContact CG-CD2 3.97Å; R1295-Y1313 HydrophobicContact CG-CE2 4.01Å; R1295-Y1313 VanDerWaalsContact NH1-CZ 3.35Å
1296	Q	59.2	Low	60.2	Low	86.8 Å²	86.8	80.7 Å²	80.7	41%	0.406	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	110.9	170.6	-84.5	-178.2	16.6	0	0	108.5	V1294 F1298 I1310	V1294-Q1296 HydrophobicContact CG1-CG 4.5Å; Q1296-F1298 HydrophobicContact CG-CE2 4.29Å; Q1296-F1298 PolarHBondContact O-N 3.12Å; Q1296-I1310 HydrophobicContact CG-CG1 4.34Å
1297	N	53.9	Low	59.7	Low	49.8 Å²	49.8	76.6 Å²	76.6	27%	0.266	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.4	178.9	-68.8	-6.3	0	0	0	109.5	A1299 Q1309 T1311	N1297-A1299 PolarHBondContact O-N 2.81Å; N1297-A1299 VanDerWaalsContact O-N 3.11Å; N1297-Q1309 PolarHBondContact N-O 3.07Å; N1297-Q1309 VanDerWaalsContact N-O 3.09Å; N1297-Q1309 PolarHBondContact O-N 2.83Å; N1297-T1311 PolarHBondContact ND2-OG1 2.86Å
1298	F	49.1	Very low	59.1	Low	147.8 Å²	147.8	79.9 Å²	79.9	65%	0.648	41%	0.414	S	S	*	.			trans	-86.3	95.8	169.8	-72.1	-83.2	0	0	0	109.2	V1245 Q1296 Q1300 K1308	V1245-F1298 WeakPolarHBondContact CG1-O 2.9Å; V1245-F1298 HydrophobicContact CG2-CB 4.39Å; Q1296-F1298 HydrophobicContact CG-CE2 4.29Å; Q1296-F1298 PolarHBondContact O-N 3.12Å; F1298-Q1300 PolarHBondContact O-N 2.97Å; F1298-Q1300 VanDerWaalsContact O-N 3.11Å; F1298-K1308 HydrophobicContact CE1-CG 4.34Å
1299	A	50.3	Low	58.9	Low	40.4 Å²	40.4	81.3 Å²	81.3	33%	0.334	42%	0.417	S	S	.	.			trans	-72.5	114.3	172.3	0	0	0	0	0	109.6	N1297 D1301 A1302	N1297-A1299 PolarHBondContact O-N 2.81Å; N1297-A1299 VanDerWaalsContact O-N 3.11Å; A1299-D1301 VanDerWaalsContact C-N 3.28Å; A1299-D1301 PolarHBondContact O-N 3.02Å; A1299-A1302 HydrophobicContact CB-CB 4.04Å; A1299-A1302 PolarHBondContact O-N 3.07Å
1300	Q	50.4	Low	58.6	Low	157.6 Å²	157.6	82.3 Å²	82.3	74%	0.736	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.9	-170.6	-149.4	161.5	1	0	0	112.9	V1245 G1246 V1247 F1298 A1302	V1245-Q1300 HydrophobicContact CG1-CB 4.03Å; G1246-Q1300 PolarHBondContact O-OE1 2.74Å; V1247-Q1300 VanDerWaalsContact CG2-CD 3.41Å; F1298-Q1300 PolarHBondContact O-N 2.97Å; F1298-Q1300 VanDerWaalsContact O-N 3.11Å; Q1300-A1302 VanDerWaalsContact C-N 3.28Å; Q1300-A1302 PolarHBondContact O-N 3.37Å; Q1300-A1302 VanDerWaalsContact O-N 3.14Å
1301	D	51.5	Low	58.1	Low	156 Å²	156	81.4 Å²	81.4	83%	0.834	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	13.5	-177.4	-65.4	-53.5	0	0	0	115.7	A1299 P1303	A1299-D1301 VanDerWaalsContact C-N 3.28Å; A1299-D1301 PolarHBondContact O-N 3.02Å; D1301-P1303 WeakPolarHBondContact O-CD 3.22Å
1302	A	44.8	Very low	58	Low	32.6 Å²	32.6	84.6 Å²	84.6	27%	0.269	43%	0.431	S	S	.	.			trans	-77.5	133.1	176.1	0	0	0	0	0	111.7	A1299 Q1300 K1304 H1306	A1299-A1302 HydrophobicContact CB-CB 4.04Å; A1299-A1302 PolarHBondContact O-N 3.07Å; Q1300-A1302 VanDerWaalsContact C-N 3.28Å; Q1300-A1302 PolarHBondContact O-N 3.37Å; Q1300-A1302 VanDerWaalsContact O-N 3.14Å; A1302-K1304 PolarHBondContact O-N 2.96Å; A1302-H1306 HydrophobicContact CB-CB 4.15Å
1303	P	44.2	Very low	57.8	Low	89.8 Å²	89.8	86 Å²	86	58%	0.583	44%	0.435	S	S	*	.			trans	-57.7	129.1	175.8	-22.1	32.1	0	0	0	111.7	D1301 P1305 H1306 S1307	D1301-P1303 WeakPolarHBondContact O-CD 3.22Å; P1303-P1305 VanDerWaalsContact C-N 3.31Å; P1303-P1305 VanDerWaalsContact O-CD 3.25Å; P1303-P1305 WeakPolarHBondContact O-CD 3.13Å; P1303-H1306 WeakPolarHBondContact O-CA 3.44Å; P1303-H1306 WeakPolarHBondContact O-CB 3.48Å; P1303-H1306 PolarHBondContact O-N 3.01Å; P1303-S1307 PolarHBondContact O-N 2.85Å
1304	K	47.2	Very low	58.1	Low	185.6 Å²	185.6	86 Å²	86	81%	0.807	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-54.4	-31.9	-174	-71.8	-175.4	176.8	-178.9	0	116.1	A1302 H1306 S1307	A1302-K1304 PolarHBondContact O-N 2.96Å; K1304-H1306 VanDerWaalsContact C-N 3.28Å; K1304-H1306 PolarHBondContact O-N 2.97Å; K1304-S1307 PolarHBondContact O-N 2.84Å; K1304-S1307 PolarHBondContact O-OG 2.96Å
1305	P	42.4	Very low	58.4	Low	109.2 Å²	109.2	83.9 Å²	83.9	71%	0.709	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-71	-3.7	176.9	27.2	-35.3	0	0	0	115.4	P1303 K1476	P1303-P1305 VanDerWaalsContact C-N 3.31Å; P1303-P1305 VanDerWaalsContact O-CD 3.25Å; P1303-P1305 WeakPolarHBondContact O-CD 3.13Å; P1305-K1476 PolarHBondContact O-NZ 2.67Å
1306	H	42.9	Very low	59.2	Low	107.6 Å²	107.6	82.8 Å²	82.8	50%	0.498	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-112.5	0	-174	-57.2	-67.1	0	0	0	114.4	A1302 P1303 K1304 K1308 Q1309	A1302-H1306 HydrophobicContact CB-CB 4.15Å; P1303-H1306 WeakPolarHBondContact O-CA 3.44Å; P1303-H1306 WeakPolarHBondContact O-CB 3.48Å; P1303-H1306 PolarHBondContact O-N 3.01Å; K1304-H1306 VanDerWaalsContact C-N 3.28Å; K1304-H1306 PolarHBondContact O-N 2.97Å; H1306-K1308 VanDerWaalsContact C-N 3.31Å; H1306-K1308 PolarHBondContact O-N 3.12Å; H1306-Q1309 PolarHBondContact O-N 3.43Å
1307	S	42.1	Very low	60.4	Low	51.8 Å²	51.8	83.6 Å²	83.6	36%	0.362	43%	0.427	S	S	.	.	S	Bend	trans	-81	17.1	-176.1	64.6	0	0	0	0	114.8	P1303 K1304 Q1309	P1303-S1307 PolarHBondContact O-N 2.85Å; K1304-S1307 PolarHBondContact O-N 2.84Å; K1304-S1307 PolarHBondContact O-OG 2.96Å; S1307-Q1309 PolarHBondContact O-N 3.19Å
1308	K	51.3	Low	61.9	Low	140.4 Å²	140.4	84.4 Å²	84.4	61%	0.61	44%	0.441	S	S	*	.			trans	-117.3	78.7	173.1	-67.8	-171.7	177.5	-168.8	0	109.3	F1298 H1306 I1310 D1477	F1298-K1308 HydrophobicContact CE1-CG 4.34Å; H1306-K1308 VanDerWaalsContact C-N 3.31Å; H1306-K1308 PolarHBondContact O-N 3.12Å; K1308-I1310 PolarHBondContact O-N 3.17Å; K1308-I1310 VanDerWaalsContact O-N 3.08Å; K1308-D1477 WeakPolarHBondContact CD-OD2 3.28Å; K1308-D1477 IonicContact NZ-OD2 3.99Å; K1308-D1477 PolarHBondContact NZ-OD2 3.07Å
1309	Q	58.4	Low	63.5	Low	71.6 Å²	71.6	78 Å²	78	34%	0.335	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.8	173	-169.8	160.3	-2.8	0	0	109.2	N1297 H1306 S1307 T1311 M1892	N1297-Q1309 PolarHBondContact N-O 3.07Å; N1297-Q1309 VanDerWaalsContact N-O 3.09Å; N1297-Q1309 PolarHBondContact O-N 2.83Å; H1306-Q1309 PolarHBondContact O-N 3.43Å; S1307-Q1309 PolarHBondContact O-N 3.19Å; Q1309-T1311 PolarHBondContact O-N 2.8Å; Q1309-M1892 HydrophobicContact CG-CE 3.73Å; Q1309-M1892 VanDerWaalsContact NE2-CE 3.33Å; Q1309-M1892 PolarHBondContact OE1-SD 2.94Å
1310	I	68.7	Low	65.2	Low	69.8 Å²	69.8	76.6 Å²	76.6	36%	0.358	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.6	171.2	-61	176.3	0	0	0	107.2	V1294 Q1296 K1308 Y1312	V1294-I1310 HydrophobicContact CG1-CG2 3.64Å; V1294-I1310 VanDerWaalsContact CG1-CG2 3.44Å; V1294-I1310 HydrophobicContact CG2-CG2 4.3Å; Q1296-I1310 HydrophobicContact CG-CG1 4.34Å; K1308-I1310 PolarHBondContact O-N 3.17Å; K1308-I1310 VanDerWaalsContact O-N 3.08Å; I1310-Y1312 HydrophobicContact CB-CE2 4.35Å; I1310-Y1312 HydrophobicContact CG2-CD2 4.13Å; I1310-Y1312 HydrophobicContact CG2-CE1 4.31Å; I1310-Y1312 HydrophobicContact CG2-CE2 3.66Å; I1310-Y1312 VanDerWaalsContact CG2-CE2 3.41Å; I1310-Y1312 HydrophobicContact CG2-CG 4.4Å
1311	T	73	Confident	67	Low	14.6 Å²	14.6	71.9 Å²	71.9	9%	0.09	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.5	173.8	-53.2	0	0	0	0	108.3	R1295 N1297 Q1309 Y1313	R1295-T1311 PolarHBondContact N-O 3.08Å; R1295-T1311 PolarHBondContact O-N 3.17Å; N1297-T1311 PolarHBondContact ND2-OG1 2.86Å; Q1309-T1311 PolarHBondContact O-N 2.8Å; T1311-Y1313 HydrophobicContact CG2-CD2 4.16Å; T1311-Y1313 HydrophobicContact CG2-CE1 4.25Å; T1311-Y1313 HydrophobicContact CG2-CE2 3.52Å; T1311-Y1313 VanDerWaalsContact CG2-CE2 3.41Å
1312	Y	81.6	Confident	68.5	Low	75.6 Å²	75.6	66.2 Å²	66.2	30%	0.296	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131	177.4	-61.5	-96.8	0	0	0	109.2	L1292 V1294 I1310 I1719 T1721 H1814 H1816	L1292-Y1312 HydrophobicContact CB-CD1 4.34Å; L1292-Y1312 HydrophobicContact CD1-CD1 4.24Å; L1292-Y1312 HydrophobicContact CD1-CG 4.37Å; V1294-Y1312 HydrophobicContact CG1-CD1 4.48Å; V1294-Y1312 HydrophobicContact CG1-CE1 4.31Å; V1294-Y1312 HydrophobicContact CG2-CD1 3.8Å; V1294-Y1312 HydrophobicContact CG2-CE1 3.73Å; I1310-Y1312 HydrophobicContact CB-CE2 4.35Å; I1310-Y1312 HydrophobicContact CG2-CD2 4.13Å; I1310-Y1312 HydrophobicContact CG2-CE1 4.31Å; I1310-Y1312 HydrophobicContact CG2-CE2 3.66Å; I1310-Y1312 VanDerWaalsContact CG2-CE2 3.41Å; I1310-Y1312 HydrophobicContact CG2-CG 4.4Å; Y1312-I1719 HydrophobicContact CD1-CG2 4.34Å; Y1312-I1719 HydrophobicContact CD2-CG2 3.88Å; Y1312-I1719 HydrophobicContact CE1-CD1 4.35Å; Y1312-I1719 HydrophobicContact CE2-CD1 4.26Å; Y1312-I1719 HydrophobicContact CE2-CG2 4.24Å; Y1312-I1719 HydrophobicContact CG-CG2 3.93Å; Y1312-T1721 VanDerWaalsContact CB-CG2 3.47Å; Y1312-T1721 VanDerWaalsContact O-CG2 3.29Å; Y1312-T1721 WeakPolarHBondContact O-CG2 3.36Å; Y1312-H1814 AromaticContact CD2-CD2 3.94Å; Y1312-H1814 AromaticContact CD2-NE2 3.47Å; Y1312-H1814 WeakPolarHBondContact CD2-NE2 3.35Å; Y1312-H1814 WeakPolarHBondContact O-CB 3.31Å; Y1312-H1816 PolarHBondContact O-NE2 3.01Å; Y1312-H1816 VanDerWaalsContact O-NE2 3.14Å
1313	Y	82.8	Confident	70.6	Confident	46 Å²	46	65.3 Å²	65.3	18%	0.18	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.7	173	-69.3	-100.5	0	0	0	108.9	L1292 V1293 R1295 T1311 H1816 S1859	L1292-Y1313 CarbonylContact C-O 3.56Å; L1292-Y1313 VanDerWaalsContact CA-O 3.24Å; L1292-Y1313 WeakPolarHBondContact CA-O 3.37Å; V1293-Y1313 PolarHBondContact N-O 3.13Å; V1293-Y1313 PolarHBondContact O-N 3.04Å; R1295-Y1313 HydrophobicContact CB-CD2 4.28Å; R1295-Y1313 HydrophobicContact CB-CE2 4.05Å; R1295-Y1313 VanDerWaalsContact CD-CE2 3.45Å; R1295-Y1313 HydrophobicContact CG-CD2 3.97Å; R1295-Y1313 HydrophobicContact CG-CE2 4.01Å; R1295-Y1313 VanDerWaalsContact NH1-CZ 3.35Å; T1311-Y1313 HydrophobicContact CG2-CD2 4.16Å; T1311-Y1313 HydrophobicContact CG2-CE1 4.25Å; T1311-Y1313 HydrophobicContact CG2-CE2 3.52Å; T1311-Y1313 VanDerWaalsContact CG2-CE2 3.41Å; Y1313-H1816 HydrophobicContact CD1-CB 4.49Å; Y1313-H1816 AromaticContact CD1-CD2 3.81Å; Y1313-H1816 AromaticContact CD1-CE1 3.84Å; Y1313-H1816 AromaticContact CD1-CG 3.75Å; Y1313-H1816 AromaticContact CD1-ND1 3.78Å; Y1313-H1816 AromaticContact CD1-NE2 3.86Å; Y1313-H1816 AromaticContact CD2-CE1 3.94Å; Y1313-H1816 AromaticContact CD2-NE2 3.94Å; Y1313-H1816 HydrophobicContact CE1-CB 4.42Å; Y1313-H1816 AromaticContact CE1-CD2 3.99Å; Y1313-H1816 AromaticContact CE1-CE1 3.42Å; Y1313-H1816 VanDerWaalsContact CE1-CE1 3.45Å; Y1313-H1816 WeakPolarHBondContact CE1-CE1 3.5Å; Y1313-H1816 AromaticContact CE1-CG 3.63Å; Y1313-H1816 AromaticContact CE1-ND1 3.21Å; Y1313-H1816 WeakPolarHBondContact CE1-ND1 3.3Å; Y1313-H1816 AromaticContact CE1-NE2 3.93Å; Y1313-H1816 AromaticContact CE2-CE1 3.55Å; Y1313-H1816 AromaticContact CE2-NE2 3.91Å; Y1313-H1816 AromaticContact CG-NE2 3.86Å; Y1313-H1816 AromaticContact CZ-CE1 3.23Å; Y1313-H1816 AromaticContact CZ-ND1 3.43Å; Y1313-H1816 AromaticContact CZ-NE2 3.88Å; Y1313-S1859 PolarHBondContact OH-OG 2.85Å
1314	P	85.1	Confident	72.8	Confident	27 Å²	27	63 Å²	63	18%	0.175	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	152.1	163.4	29.7	-33.5	0	0	0	109.6	M1320 S1695 A1697 R1723	P1314-M1320 HydrophobicContact CB-SD 4.46Å; P1314-S1695 WeakPolarHBondContact CG-OG 3.36Å; P1314-A1697 HydrophobicContact CB-CB 4.19Å; P1314-R1723 HydrophobicContact CG-CB 3.53Å
1315	G	80.5	Confident	74.6	Confident	2.8 Å²	2.8	58.9 Å²	58.9	3%	0.029	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-56.9	157.5	171.1	0	0	0	0	0	113	P1291 H1319 M1320	P1291-G1315 PolarHBondContact O-N 3.24Å; G1315-H1319 VanDerWaalsContact CA-ND1 3.27Å; G1315-H1319 WeakPolarHBondContact CA-ND1 3.28Å; G1315-M1320 WeakPolarHBondContact O-CG 3.27Å; G1315-M1320 VanDerWaalsContact O-SD 3.35Å
1316	N	83.7	Confident	76.5	Confident	75.6 Å²	75.6	54.6 Å²	54.6	40%	0.404	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-75.3	170.1	162.2	71.9	2.9	0	0	0	109.9	A1318 H1319 M1320 E1691	N1316-A1318 PolarHBondContact O-N 3.23Å; N1316-A1318 VanDerWaalsContact O-N 3.09Å; N1316-A1318 PolarHBondContact OD1-N 2.97Å; N1316-A1318 VanDerWaalsContact OD1-N 3.14Å; N1316-H1319 PolarHBondContact O-N 3.08Å; N1316-H1319 VanDerWaalsContact OD1-CB 3.26Å; N1316-H1319 WeakPolarHBondContact OD1-CB 3.29Å; N1316-H1319 PolarHBondContact OD1-N 3.21Å; N1316-M1320 WeakPolarHBondContact O-CG 3.44Å; N1316-M1320 PolarHBondContact O-N 3.2Å; N1316-E1691 WeakPolarHBondContact CB-OE2 3.4Å
1317	K	85.2	Confident	78.6	Confident	103.8 Å²	103.8	49.8 Å²	49.8	45%	0.451	26%	0.263	S	S	.	.	H	α-helix	trans	-54.5	-36.4	-175.7	-172	173.8	-176.1	171.6	0	113.5	S1321 E1622 N1690 E1691	K1317-S1321 WeakPolarHBondContact O-CB 3.41Å; K1317-S1321 PolarHBondContact O-N 3.04Å; K1317-S1321 PolarHBondContact O-OG 3.19Å; K1317-E1622 WeakPolarHBondContact CA-OE1 3.44Å; K1317-N1690 WeakPolarHBondContact CD-O 3.34Å; K1317-N1690 WeakPolarHBondContact CE-O 3.32Å; K1317-N1690 PolarHBondContact NZ-O 3.09Å; K1317-N1690 PolarHBondContact NZ-OD1 3.35Å; K1317-E1691 VanDerWaalsContact CB-OE1 3.29Å; K1317-E1691 WeakPolarHBondContact CB-OE1 3.32Å; K1317-E1691 PolarHBondContact N-OE1 3.03Å; K1317-E1691 VanDerWaalsContact N-OE1 3.14Å; K1317-E1691 PolarHBondContact N-OE2 3.34Å
1318	A	84.3	Confident	80.6	Confident	67.8 Å²	67.8	47.8 Å²	47.8	56%	0.56	25%	0.25	S	C	*	.	H	α-helix	trans	-69.3	-45.3	177.3	0	0	0	0	0	112.2	N1316 M1320 S1321 A1322	N1316-A1318 PolarHBondContact O-N 3.23Å; N1316-A1318 VanDerWaalsContact O-N 3.09Å; N1316-A1318 PolarHBondContact OD1-N 2.97Å; N1316-A1318 VanDerWaalsContact OD1-N 3.14Å; A1318-M1320 VanDerWaalsContact C-N 3.34Å; A1318-M1320 PolarHBondContact O-N 3.32Å; A1318-S1321 WeakPolarHBondContact O-CB 3.34Å; A1318-S1321 PolarHBondContact O-N 3.31Å; A1318-S1321 VanDerWaalsContact O-N 3.16Å; A1318-S1321 PolarHBondContact O-OG 3.11Å; A1318-A1322 VanDerWaalsContact O-CB 3.27Å; A1318-A1322 WeakPolarHBondContact O-CB 3.31Å; A1318-A1322 PolarHBondContact O-N 2.95Å
1319	H	83.4	Confident	82	Confident	12.6 Å²	12.6	44.4 Å²	44.4	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-44.3	178	178.1	-103	0	0	0	111.9	N1287 I1290 V1293 G1315 N1316 S1321 A1322 Y1323	N1287-H1319 PolarHBondContact O-NE2 3.01Å; N1287-H1319 VanDerWaalsContact O-NE2 3.12Å; I1290-H1319 PolarHBondContact O-CE1 2.88Å; I1290-H1319 VanDerWaalsContact O-CE1 3.24Å; I1290-H1319 PolarHBondContact O-NE2 3.04Å; V1293-H1319 HydrophobicContact CG2-CB 4.35Å; G1315-H1319 VanDerWaalsContact CA-ND1 3.27Å; G1315-H1319 WeakPolarHBondContact CA-ND1 3.28Å; N1316-H1319 PolarHBondContact O-N 3.08Å; N1316-H1319 VanDerWaalsContact OD1-CB 3.26Å; N1316-H1319 WeakPolarHBondContact OD1-CB 3.29Å; N1316-H1319 PolarHBondContact OD1-N 3.21Å; H1319-S1321 VanDerWaalsContact C-N 3.34Å; H1319-S1321 PolarHBondContact O-N 3.13Å; H1319-A1322 PolarHBondContact O-N 3.14Å; H1319-A1322 VanDerWaalsContact O-N 3.16Å; H1319-Y1323 WeakPolarHBondContact O-CB 3.35Å; H1319-Y1323 PolarHBondContact O-N 3.1Å
1320	M	86.2	Confident	82.9	Confident	11.2 Å²	11.2	42.5 Å²	42.5	6%	0.055	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-39.4	175.4	-65.4	-163.6	62.2	0	0	111.8	P1291 P1314 G1315 N1316 A1318 A1322 Y1323 R1324 E1620 E1622	P1291-M1320 HydrophobicContact CB-CE 3.86Å; P1291-M1320 HydrophobicContact CB-SD 3.94Å; P1291-M1320 VanDerWaalsContact O-SD 3.38Å; P1314-M1320 HydrophobicContact CB-SD 4.46Å; G1315-M1320 WeakPolarHBondContact O-CG 3.27Å; G1315-M1320 VanDerWaalsContact O-SD 3.35Å; N1316-M1320 WeakPolarHBondContact O-CG 3.44Å; N1316-M1320 PolarHBondContact O-N 3.2Å; A1318-M1320 VanDerWaalsContact C-N 3.34Å; A1318-M1320 PolarHBondContact O-N 3.32Å; M1320-A1322 VanDerWaalsContact C-N 3.32Å; M1320-A1322 PolarHBondContact O-N 3.14Å; M1320-Y1323 HydrophobicContact CE-CD1 3.96Å; M1320-Y1323 PolarHBondContact O-N 3.13Å; M1320-R1324 WeakPolarHBondContact O-CB 3.43Å; M1320-R1324 VanDerWaalsContact O-CG 3.26Å; M1320-R1324 WeakPolarHBondContact O-CG 3.45Å; M1320-R1324 PolarHBondContact O-N 2.95Å; M1320-R1324 PolarHBondContact O-NE 2.82Å; M1320-E1620 HydrophobicContact CE-CB 3.57Å; M1320-E1620 HydrophobicContact CE-CG 4.14Å; M1320-E1620 VanDerWaalsContact CE-OE2 3.27Å; M1320-E1620 WeakPolarHBondContact CE-OE2 3.42Å; M1320-E1622 VanDerWaalsContact CB-OE1 3.25Å; M1320-E1622 WeakPolarHBondContact CB-OE1 3.43Å; M1320-E1622 HydrophobicContact CE-CG 3.71Å; M1320-E1622 HydrophobicContact SD-CG 3.84Å; M1320-E1622 VanDerWaalsContact SD-OE1 3.41Å
1321	S	87.4	Confident	83.6	Confident	58.8 Å²	58.8	39.2 Å²	39.2	41%	0.411	21%	0.211	S	C	.	.	H	α-helix	trans	-64.4	-39.2	172.6	172.1	0	0	0	0	112.8	K1317 A1318 H1319 R1324 Q1325	K1317-S1321 WeakPolarHBondContact O-CB 3.41Å; K1317-S1321 PolarHBondContact O-N 3.04Å; K1317-S1321 PolarHBondContact O-OG 3.19Å; A1318-S1321 WeakPolarHBondContact O-CB 3.34Å; A1318-S1321 PolarHBondContact O-N 3.31Å; A1318-S1321 VanDerWaalsContact O-N 3.16Å; A1318-S1321 PolarHBondContact O-OG 3.11Å; H1319-S1321 VanDerWaalsContact C-N 3.34Å; H1319-S1321 PolarHBondContact O-N 3.13Å; S1321-R1324 PolarHBondContact O-N 3.36Å; S1321-Q1325 WeakPolarHBondContact O-CB 3.39Å; S1321-Q1325 PolarHBondContact O-N 3.12Å
1322	A	84	Confident	84.1	Confident	35.6 Å²	35.6	41.8 Å²	41.8	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-68.2	-40.4	176.5	0	0	0	0	0	111.8	A1318 H1319 M1320 Q1325 S1326	A1318-A1322 VanDerWaalsContact O-CB 3.27Å; A1318-A1322 WeakPolarHBondContact O-CB 3.31Å; A1318-A1322 PolarHBondContact O-N 2.95Å; H1319-A1322 PolarHBondContact O-N 3.14Å; H1319-A1322 VanDerWaalsContact O-N 3.16Å; M1320-A1322 VanDerWaalsContact C-N 3.32Å; M1320-A1322 PolarHBondContact O-N 3.14Å; A1322-Q1325 PolarHBondContact O-N 3.07Å; A1322-S1326 VanDerWaalsContact O-CB 3.3Å; A1322-S1326 WeakPolarHBondContact O-CB 3.35Å; A1322-S1326 PolarHBondContact O-N 2.94Å; A1322-S1326 PolarHBondContact O-OG 3.35Å
1323	Y	88.6	Confident	84.4	Confident	14.2 Å²	14.2	40.6 Å²	40.6	6%	0.056	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-52.2	173.2	164.9	-107.1	0	0	0	111.7	C1288 F1289 I1290 P1291 H1319 M1320 Q1325 S1326 A1327 F1605 E1607 Y1618 E1620	C1288-Y1323 VanDerWaalsContact O-CA 3.28Å; C1288-Y1323 WeakPolarHBondContact O-CA 3.39Å; C1288-Y1323 WeakPolarHBondContact O-CD2 3.27Å; F1289-Y1323 VanDerWaalsContact C-CD2 3.48Å; F1289-Y1323 WeakPolarHBondContact O-CD2 3.42Å; F1289-Y1323 VanDerWaalsContact O-CE2 3.32Å; F1289-Y1323 WeakPolarHBondContact O-CE2 3.31Å; I1290-Y1323 VanDerWaalsContact C-CD2 3.43Å; P1291-Y1323 HydrophobicContact CB-CD1 3.77Å; P1291-Y1323 HydrophobicContact CB-CD2 4.47Å; P1291-Y1323 HydrophobicContact CB-CE1 3.82Å; P1291-Y1323 HydrophobicContact CB-CE2 4.39Å; P1291-Y1323 HydrophobicContact CB-CG 4.32Å; P1291-Y1323 HydrophobicContact CG-CD1 4.33Å; P1291-Y1323 HydrophobicContact CG-CE1 4.03Å; P1291-Y1323 HydrophobicContact CG-CE2 4.39Å; H1319-Y1323 WeakPolarHBondContact O-CB 3.35Å; H1319-Y1323 PolarHBondContact O-N 3.1Å; M1320-Y1323 HydrophobicContact CE-CD1 3.96Å; M1320-Y1323 PolarHBondContact O-N 3.13Å; Y1323-Q1325 VanDerWaalsContact C-N 3.3Å; Y1323-Q1325 PolarHBondContact O-N 3.12Å; Y1323-S1326 WeakPolarHBondContact O-CB 3.49Å; Y1323-S1326 PolarHBondContact O-N 3.16Å; Y1323-S1326 VanDerWaalsContact O-N 3.14Å; Y1323-A1327 HydrophobicContact CD2-CB 4.41Å; Y1323-A1327 HydrophobicContact CE2-CB 3.97Å; Y1323-A1327 WeakPolarHBondContact O-CB 3.46Å; Y1323-A1327 PolarHBondContact O-N 2.99Å; Y1323-F1605 AromaticContact CE1-CD1 3.93Å; Y1323-F1605 HydrophobicContact CE1-CD1 3.93Å; Y1323-F1605 AromaticContact CE1-CE1 3.81Å; Y1323-F1605 HydrophobicContact CE1-CE1 3.81Å; Y1323-F1605 AromaticContact CZ-CE1 3.99Å; Y1323-E1607 WeakPolarHBondContact CE2-OE2 3.33Å; Y1323-E1607 VanDerWaalsContact OH-CB 3.31Å; Y1323-E1607 WeakPolarHBondContact OH-CB 3.38Å; Y1323-E1607 PolarHBondContact OH-OE2 3.15Å; Y1323-E1607 VanDerWaalsContact OH-OE2 3.06Å; Y1323-Y1618 WeakPolarHBondContact OH-CB 3.44Å; Y1323-E1620 WeakPolarHBondContact CD1-OE2 3.3Å; Y1323-E1620 HydrophobicContact CE1-CG 4.35Å
1324	R	90	Very high	84.7	Confident	42.4 Å²	42.4	39 Å²	39	16%	0.16	22%	0.215	C	C	.	.	H	α-helix	trans	-55.1	-44.4	175.1	-76.9	-176.2	-92.5	-167.4	-4.4	112.5	M1320 S1321 S1326 S1328 T1603 F1605 E1620 E1622	M1320-R1324 WeakPolarHBondContact O-CB 3.43Å; M1320-R1324 VanDerWaalsContact O-CG 3.26Å; M1320-R1324 WeakPolarHBondContact O-CG 3.45Å; M1320-R1324 PolarHBondContact O-N 2.95Å; M1320-R1324 PolarHBondContact O-NE 2.82Å; S1321-R1324 PolarHBondContact O-N 3.36Å; R1324-S1326 VanDerWaalsContact C-N 3.35Å; R1324-S1328 WeakPolarHBondContact O-CB 3.37Å; R1324-S1328 PolarHBondContact O-N 2.99Å; R1324-S1328 PolarHBondContact O-OG 3.09Å; R1324-T1603 VanDerWaalsContact NH1-CG2 3.26Å; R1324-T1603 PolarHBondContact NH1-OG1 3.07Å; R1324-F1605 HydrophobicContact CB-CD2 4.3Å; R1324-F1605 HydrophobicContact CB-CE2 4.3Å; R1324-F1605 HydrophobicContact CG-CB 3.97Å; R1324-F1605 HydrophobicContact CG-CD1 4.01Å; R1324-F1605 HydrophobicContact CG-CD2 3.7Å; R1324-F1605 HydrophobicContact CG-CE1 4.41Å; R1324-F1605 HydrophobicContact CG-CE2 4.13Å; R1324-F1605 HydrophobicContact CG-CG 3.65Å; R1324-F1605 HydrophobicContact CG-CZ 4.44Å; R1324-E1620 WeakPolarHBondContact CD-OE1 3.35Å; R1324-E1620 VanDerWaalsContact CG-OE1 3.28Å; R1324-E1620 WeakPolarHBondContact CG-OE1 3.34Å; R1324-E1620 IonicContact CZ-OE1 3.13Å; R1324-E1620 IonicContact NE-OE1 3.2Å; R1324-E1620 PolarHBondContact NE-OE1 2.93Å; R1324-E1620 IonicContact NH1-OE1 3.22Å; R1324-E1620 PolarHBondContact NH1-OE1 2.82Å; R1324-E1622 IonicContact CZ-OE2 3.11Å; R1324-E1622 IonicContact NH1-OE2 3.77Å; R1324-E1622 PolarHBondContact NH1-OE2 3.07Å; R1324-E1622 IonicContact NH2-OE1 3.7Å; R1324-E1622 PolarHBondContact NH2-OE1 3.03Å; R1324-E1622 VanDerWaalsContact NH2-OE1 3.12Å; R1324-E1622 IonicContact NH2-OE2 3.4Å; R1324-E1622 PolarHBondContact NH2-OE2 2.82Å
1325	Q	86	Confident	85.1	Confident	99.2 Å²	99.2	38.7 Å²	38.7	46%	0.464	21%	0.213	S	C	.	.	H	α-helix	trans	-64.4	-44.2	178.6	-175.5	173.9	-2.7	0	0	111.5	S1321 A1322 Y1323 S1328 I1329	S1321-Q1325 WeakPolarHBondContact O-CB 3.39Å; S1321-Q1325 PolarHBondContact O-N 3.12Å; A1322-Q1325 PolarHBondContact O-N 3.07Å; Y1323-Q1325 VanDerWaalsContact C-N 3.3Å; Y1323-Q1325 PolarHBondContact O-N 3.12Å; Q1325-S1328 PolarHBondContact O-N 3.06Å; Q1325-S1328 PolarHBondContact O-OG 2.96Å; Q1325-I1329 HydrophobicContact CG-CD1 3.94Å; Q1325-I1329 WeakPolarHBondContact O-CB 3.4Å; Q1325-I1329 WeakPolarHBondContact O-CD1 3.4Å; Q1325-I1329 VanDerWaalsContact O-CG1 3.26Å; Q1325-I1329 WeakPolarHBondContact O-CG1 3.43Å; Q1325-I1329 PolarHBondContact O-N 3Å; Q1325-I1329 VanDerWaalsContact O-N 3.13Å
1326	S	81.4	Confident	85.7	Confident	18 Å²	18	39.2 Å²	39.2	13%	0.126	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-53.5	176.9	-161.8	0	0	0	0	111.6	F1289 A1322 Y1323 R1324 S1328 I1329 H1330	F1289-S1326 VanDerWaalsContact CD1-OG 3.23Å; F1289-S1326 WeakPolarHBondContact CD1-OG 3.33Å; F1289-S1326 WeakPolarHBondContact CE1-OG 3.45Å; A1322-S1326 VanDerWaalsContact O-CB 3.3Å; A1322-S1326 WeakPolarHBondContact O-CB 3.35Å; A1322-S1326 PolarHBondContact O-N 2.94Å; A1322-S1326 PolarHBondContact O-OG 3.35Å; Y1323-S1326 WeakPolarHBondContact O-CB 3.49Å; Y1323-S1326 PolarHBondContact O-N 3.16Å; Y1323-S1326 VanDerWaalsContact O-N 3.14Å; R1324-S1326 VanDerWaalsContact C-N 3.35Å; S1326-S1328 VanDerWaalsContact C-N 3.31Å; S1326-S1328 PolarHBondContact O-N 2.93Å; S1326-I1329 PolarHBondContact O-N 2.91Å; S1326-I1329 VanDerWaalsContact O-N 3.14Å; S1326-H1330 PolarHBondContact O-CD2 3.03Å; S1326-H1330 VanDerWaalsContact O-CG 3.29Å; S1326-H1330 PolarHBondContact O-N 3.12Å; S1326-H1330 VanDerWaalsContact O-N 3.13Å; S1326-H1330 PolarHBondContact O-ND1 3.04Å; S1326-H1330 PolarHBondContact OG-CD2 3.11Å; S1326-H1330 PolarHBondContact OG-NE2 2.73Å
1327	A	86.1	Confident	86.2	Confident	6.2 Å²	6.2	38.3 Å²	38.3	5%	0.051	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-40.4	179.4	0	0	0	0	0	112.4	Y1323 I1329 H1330 T1331 C1564 F1605	Y1323-A1327 HydrophobicContact CD2-CB 4.41Å; Y1323-A1327 HydrophobicContact CE2-CB 3.97Å; Y1323-A1327 WeakPolarHBondContact O-CB 3.46Å; Y1323-A1327 PolarHBondContact O-N 2.99Å; A1327-I1329 VanDerWaalsContact C-N 3.32Å; A1327-I1329 PolarHBondContact O-N 3.12Å; A1327-H1330 CarbonylContact O-C 3.53Å; A1327-H1330 PolarHBondContact O-N 3.06Å; A1327-T1331 WeakPolarHBondContact O-CB 3.35Å; A1327-T1331 WeakPolarHBondContact O-CG2 3.47Å; A1327-T1331 PolarHBondContact O-N 3.14Å; A1327-T1331 PolarHBondContact O-OG1 2.76Å; A1327-C1564 PolarHBondContact O-SG 2.9Å; A1327-C1564 VanDerWaalsContact O-SG 3.33Å; A1327-F1605 HydrophobicContact CB-CE1 3.96Å; A1327-F1605 HydrophobicContact CB-CZ 3.71Å
1328	S	85.1	Confident	86.5	Confident	11.2 Å²	11.2	36.1 Å²	36.1	8%	0.078	20%	0.197	C	C	.	.	H	α-helix	trans	-67.1	-33.9	176.6	67.8	0	0	0	0	113.2	R1208 R1324 Q1325 S1326 H1330 T1331	R1208-S1328 PolarHBondContact NH2-O 2.95Å; R1324-S1328 WeakPolarHBondContact O-CB 3.37Å; R1324-S1328 PolarHBondContact O-N 2.99Å; R1324-S1328 PolarHBondContact O-OG 3.09Å; Q1325-S1328 PolarHBondContact O-N 3.06Å; Q1325-S1328 PolarHBondContact O-OG 2.96Å; S1326-S1328 VanDerWaalsContact C-N 3.31Å; S1326-S1328 PolarHBondContact O-N 2.93Å; S1328-H1330 VanDerWaalsContact C-N 3.33Å; S1328-H1330 PolarHBondContact O-N 3.17Å; S1328-T1331 WeakPolarHBondContact O-CG2 3.31Å; S1328-T1331 PolarHBondContact O-OG1 3.03Å
1329	I	80.9	Confident	86.9	Confident	68 Å²	68	33 Å²	33	35%	0.349	17%	0.171	S	C	.	.	H	α-helix	trans	-71.6	-42.6	176.4	-70.3	167.4	0	0	0	110.8	R1208 Q1325 S1326 A1327 T1331	R1208-I1329 PolarHBondContact NH2-O 3.2Å; R1208-I1329 VanDerWaalsContact NH2-O 3.08Å; Q1325-I1329 HydrophobicContact CG-CD1 3.94Å; Q1325-I1329 WeakPolarHBondContact O-CB 3.4Å; Q1325-I1329 WeakPolarHBondContact O-CD1 3.4Å; Q1325-I1329 VanDerWaalsContact O-CG1 3.26Å; Q1325-I1329 WeakPolarHBondContact O-CG1 3.43Å; Q1325-I1329 PolarHBondContact O-N 3Å; Q1325-I1329 VanDerWaalsContact O-N 3.13Å; S1326-I1329 PolarHBondContact O-N 2.91Å; S1326-I1329 VanDerWaalsContact O-N 3.14Å; A1327-I1329 VanDerWaalsContact C-N 3.32Å; A1327-I1329 PolarHBondContact O-N 3.12Å; I1329-T1331 VanDerWaalsContact C-N 3.3Å; I1329-T1331 PolarHBondContact O-N 3.19Å; I1329-T1331 VanDerWaalsContact O-N 3.14Å
1330	H	77	Confident	87.3	Confident	31.8 Å²	31.8	32.8 Å²	32.8	15%	0.147	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	28.2	-176.4	-56.2	-30.6	0	0	0	113.7	D1216 L1217 V1218 F1289 S1326 A1327 S1328 Q1560 S1561	D1216-H1330 IonicContact OD2-CE1 3.05Å; D1216-H1330 PolarHBondContact OD2-CE1 2.83Å; D1216-H1330 IonicContact OD2-ND1 2.8Å; D1216-H1330 PolarHBondContact OD2-ND1 2.75Å; D1216-H1330 VanDerWaalsContact OD2-ND1 3.12Å; L1217-H1330 HydrophobicContact CD1-CB 4.45Å; L1217-H1330 WeakPolarHBondContact CD1-ND1 3.17Å; V1218-H1330 WeakPolarHBondContact CG2-NE2 3.43Å; F1289-H1330 AromaticContact CD1-CD2 3.84Å; F1289-H1330 AromaticContact CE1-CD2 3.21Å; F1289-H1330 WeakPolarHBondContact CE1-CD2 3.3Å; F1289-H1330 AromaticContact CE1-NE2 3.45Å; F1289-H1330 WeakPolarHBondContact CE1-NE2 3.44Å; F1289-H1330 AromaticContact CZ-CD2 3.91Å; F1289-H1330 AromaticContact CZ-NE2 3.63Å; S1326-H1330 PolarHBondContact O-CD2 3.03Å; S1326-H1330 VanDerWaalsContact O-CG 3.29Å; S1326-H1330 PolarHBondContact O-N 3.12Å; S1326-H1330 VanDerWaalsContact O-N 3.13Å; S1326-H1330 PolarHBondContact O-ND1 3.04Å; S1326-H1330 PolarHBondContact OG-CD2 3.11Å; S1326-H1330 PolarHBondContact OG-NE2 2.73Å; A1327-H1330 CarbonylContact O-C 3.53Å; A1327-H1330 PolarHBondContact O-N 3.06Å; S1328-H1330 VanDerWaalsContact C-N 3.33Å; S1328-H1330 PolarHBondContact O-N 3.17Å; H1330-Q1560 CarbonylContact O-C 3.56Å; H1330-Q1560 VanDerWaalsContact O-CA 3.3Å; H1330-Q1560 WeakPolarHBondContact O-CA 3.41Å; H1330-Q1560 WeakPolarHBondContact O-CG 3.39Å; H1330-S1561 PolarHBondContact O-N 2.88Å
1331	T	83.6	Confident	87.5	Confident	0.4 Å²	0.4	32.9 Å²	32.9	0%	0.002	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	150.2	177.6	-174.3	0	0	0	0	112.5	S1210 A1327 S1328 I1329 L1333 F1334 Q1560 S1561 I1563 C1564	S1210-T1331 VanDerWaalsContact CB-O 3.31Å; S1210-T1331 WeakPolarHBondContact CB-O 3.4Å; S1210-T1331 PolarHBondContact OG-O 3.02Å; A1327-T1331 WeakPolarHBondContact O-CB 3.35Å; A1327-T1331 WeakPolarHBondContact O-CG2 3.47Å; A1327-T1331 PolarHBondContact O-N 3.14Å; A1327-T1331 PolarHBondContact O-OG1 2.76Å; S1328-T1331 WeakPolarHBondContact O-CG2 3.31Å; S1328-T1331 PolarHBondContact O-OG1 3.03Å; I1329-T1331 VanDerWaalsContact C-N 3.3Å; I1329-T1331 PolarHBondContact O-N 3.19Å; I1329-T1331 VanDerWaalsContact O-N 3.14Å; T1331-L1333 VanDerWaalsContact CG2-O 3.31Å; T1331-L1333 WeakPolarHBondContact CG2-O 3.41Å; T1331-L1333 PolarHBondContact OG1-O 2.55Å; T1331-F1334 HydrophobicContact CG2-CB 3.69Å; T1331-F1334 HydrophobicContact CG2-CG 4.46Å; T1331-Q1560 VanDerWaalsContact C-CG 3.46Å; T1331-Q1560 PolarHBondContact O-NE2 2.86Å; T1331-Q1560 VanDerWaalsContact O-NE2 3.08Å; T1331-S1561 CarbonylContact C-O 3.58Å; T1331-S1561 VanDerWaalsContact CA-O 3.3Å; T1331-S1561 WeakPolarHBondContact CA-O 3.35Å; T1331-S1561 PolarHBondContact OG1-O 3.14Å; T1331-I1563 WeakPolarHBondContact OG1-CA 3.38Å; T1331-I1563 PolarHBondContact OG1-N 3.31Å; T1331-C1564 VanDerWaalsContact CB-SG 3.56Å; T1331-C1564 WeakPolarHBondContact CB-SG 3.37Å; T1331-C1564 HydrophobicContact CG2-CB 3.98Å; T1331-C1564 PolarHBondContact OG1-N 2.91Å; T1331-C1564 PolarHBondContact OG1-SG 3.15Å; T1331-C1564 VanDerWaalsContact OG1-SG 3.39Å
1332	H	82.3	Confident	87.7	Confident	69.4 Å²	69.4	30.1 Å²	30.1	32%	0.321	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-45.2	176	179.9	-95.1	0	0	0	111.7	I1209 S1210 S1212 Q1560 S1561	I1209-H1332 WeakPolarHBondContact CA-O 3.48Å; S1210-H1332 PolarHBondContact N-O 2.99Å; S1210-H1332 PolarHBondContact O-CD2 3.11Å; S1210-H1332 VanDerWaalsContact O-CD2 3.22Å; S1210-H1332 PolarHBondContact O-NE2 3.34Å; S1212-H1332 PolarHBondContact OG-NE2 3.3Å; H1332-Q1560 HydrophobicContact CB-CG 4.23Å; H1332-S1561 PolarHBondContact N-O 2.84Å
1333	L	87.9	Confident	88	Confident	50.8 Å²	50.8	31.5 Å²	31.5	27%	0.266	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.4	175.6	178.2	64.1	0	0	0	110.4	I1207 I1209 T1331 V1335 S1562 I1563 C1564	I1207-L1333 HydrophobicContact CG2-CD1 3.87Å; I1209-L1333 HydrophobicContact CG1-CD1 3.98Å; T1331-L1333 VanDerWaalsContact CG2-O 3.31Å; T1331-L1333 WeakPolarHBondContact CG2-O 3.41Å; T1331-L1333 PolarHBondContact OG1-O 2.55Å; L1333-V1335 HydrophobicContact CD1-CG2 4.28Å; L1333-V1335 HydrophobicContact CG-CG2 4.17Å; L1333-S1562 PolarHBondContact N-O 2.98Å; L1333-I1563 HydrophobicContact CB-CB 4.31Å; L1333-I1563 HydrophobicContact CB-CG1 4.3Å; L1333-I1563 HydrophobicContact CD2-CD1 4.23Å; L1333-I1563 HydrophobicContact CD2-CG1 4.28Å; L1333-I1563 HydrophobicContact CD2-CG2 4.29Å; L1333-I1563 HydrophobicContact CG-CD1 4.26Å; L1333-I1563 HydrophobicContact CG-CG1 4.13Å; L1333-I1563 HydrophobicContact CG-CG2 4.43Å; L1333-I1563 CarbonylContact O-C 3.51Å; L1333-I1563 VanDerWaalsContact O-CA 3.3Å; L1333-I1563 WeakPolarHBondContact O-CA 3.25Å; L1333-C1564 PolarHBondContact O-N 3.14Å
1334	F	90.6	Very high	88.1	Confident	13 Å²	13	33 Å²	33	6%	0.057	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.7	173.5	-179.6	-123.3	0	0	0	110.5	F1154 I1207 R1208 T1331 H1336 C1564 Q1566 F1605	F1154-F1334 HydrophobicContact CE1-CE1 4.26Å; F1154-F1334 HydrophobicContact CZ-CE1 4.17Å; I1207-F1334 WeakPolarHBondContact CA-O 3.32Å; R1208-F1334 HydrophobicContact CB-CB 4.33Å; R1208-F1334 PolarHBondContact N-O 3.16Å; R1208-F1334 PolarHBondContact O-N 3.24Å; T1331-F1334 HydrophobicContact CG2-CB 3.69Å; T1331-F1334 HydrophobicContact CG2-CG 4.46Å; F1334-H1336 HydrophobicContact CE1-CB 3.81Å; F1334-H1336 HydrophobicContact CE2-CB 4.46Å; F1334-H1336 HydrophobicContact CZ-CB 3.81Å; F1334-C1564 WeakPolarHBondContact CA-O 3.44Å; F1334-C1564 HydrophobicContact CD2-CB 3.84Å; F1334-C1564 WeakPolarHBondContact CD2-O 3.37Å; F1334-C1564 HydrophobicContact CE2-CB 4.4Å; F1334-Q1566 HydrophobicContact CE2-CB 4.02Å; F1334-Q1566 HydrophobicContact CZ-CB 4.18Å; F1334-F1605 HydrophobicContact CE2-CE2 4.14Å
1335	V	92.8	Very high	88.1	Confident	20.4 Å²	20.4	32.4 Å²	32.4	12%	0.124	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119	177.2	-173.7	0	0	0	0	109.9	V1205 Y1206 I1207 L1333 F1337 C1564 L1565 Q1566	V1205-V1335 HydrophobicContact CG1-CG1 3.89Å; Y1206-V1335 CarbonylContact O-C 3.55Å; Y1206-V1335 WeakPolarHBondContact O-CA 3.28Å; I1207-V1335 HydrophobicContact CG1-CG1 4.26Å; I1207-V1335 HydrophobicContact CG1-CG2 4.44Å; I1207-V1335 HydrophobicContact CG2-CG2 4.44Å; L1333-V1335 HydrophobicContact CD1-CG2 4.28Å; L1333-V1335 HydrophobicContact CG-CG2 4.17Å; V1335-F1337 HydrophobicContact CB-CE2 4.46Å; V1335-F1337 HydrophobicContact CG1-CD2 4.05Å; V1335-F1337 HydrophobicContact CG1-CE2 3.44Å; V1335-F1337 VanDerWaalsContact CG1-CE2 3.44Å; V1335-F1337 HydrophobicContact CG1-CZ 4.05Å; V1335-C1564 PolarHBondContact N-O 2.97Å; V1335-L1565 CarbonylContact O-C 3.55Å; V1335-L1565 WeakPolarHBondContact O-CA 3.35Å; V1335-Q1566 PolarHBondContact O-N 3.1Å
1336	H	93.5	Very high	88	Confident	11.8 Å²	11.8	28.7 Å²	28.7	6%	0.055	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	110.4	-177.1	-176.5	-167.9	0	0	0	111.9	V1205 Y1206 F1334 K1338 Q1566 D1568	V1205-H1336 CarbonylContact C-O 3.52Å; V1205-H1336 VanDerWaalsContact CA-O 3.31Å; V1205-H1336 WeakPolarHBondContact CA-O 3.35Å; Y1206-H1336 HydrophobicContact CD2-CB 4.46Å; Y1206-H1336 PolarHBondContact N-O 3.06Å; Y1206-H1336 PolarHBondContact O-N 3.3Å; F1334-H1336 HydrophobicContact CE1-CB 3.81Å; F1334-H1336 HydrophobicContact CE2-CB 4.46Å; F1334-H1336 HydrophobicContact CZ-CB 3.81Å; H1336-K1338 WeakPolarHBondContact CE1-CE 3.38Å; H1336-K1338 PolarHBondContact CE1-NZ 2.93Å; H1336-K1338 WeakPolarHBondContact NE2-CE 3.33Å; H1336-Q1566 CarbonylContact C-O 3.57Å; H1336-Q1566 WeakPolarHBondContact CA-O 3.39Å; H1336-Q1566 HydrophobicContact CB-CB 4.44Å; H1336-Q1566 PolarHBondContact NE2-NE2 3.05Å; H1336-D1568 IonicContact CD2-OD1 2.9Å; H1336-D1568 IonicContact CD2-OD2 3Å; H1336-D1568 IonicContact CE1-OD1 2.66Å; H1336-D1568 IonicContact CE1-OD2 3.12Å; H1336-D1568 PolarHBondContact CE1-OD2 3.07Å; H1336-D1568 IonicContact NE2-OD1 3.2Å; H1336-D1568 PolarHBondContact NE2-OD1 3.31Å; H1336-D1568 VanDerWaalsContact NE2-OD1 3.09Å; H1336-D1568 IonicContact NE2-OD2 3.45Å; H1336-D1568 PolarHBondContact NE2-OD2 2.81Å
1337	F	93.3	Very high	87.9	Confident	56.8 Å²	56.8	30.7 Å²	30.7	25%	0.249	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.3	172.1	-64.8	-99.1	0	0	0	110.6	K1204 V1205 V1335 I1339 L1565 Q1566 L1567 D1568	K1204-F1337 CarbonylContact O-C 3.56Å; K1204-F1337 WeakPolarHBondContact O-CA 3.41Å; V1205-F1337 HydrophobicContact CB-CD1 4.22Å; V1205-F1337 HydrophobicContact CB-CE1 4.3Å; V1205-F1337 HydrophobicContact CG1-CD1 3.81Å; V1205-F1337 HydrophobicContact CG1-CD2 4.25Å; V1205-F1337 HydrophobicContact CG1-CE1 3.68Å; V1205-F1337 HydrophobicContact CG1-CE2 4.14Å; V1205-F1337 HydrophobicContact CG1-CG 4.08Å; V1205-F1337 HydrophobicContact CG1-CZ 3.85Å; V1205-F1337 HydrophobicContact CG2-CD1 3.45Å; V1205-F1337 VanDerWaalsContact CG2-CD1 3.45Å; V1205-F1337 HydrophobicContact CG2-CE1 3.59Å; V1205-F1337 HydrophobicContact CG2-CG 4.31Å; V1205-F1337 HydrophobicContact CG2-CZ 4.34Å; V1335-F1337 HydrophobicContact CB-CE2 4.46Å; V1335-F1337 HydrophobicContact CG1-CD2 4.05Å; V1335-F1337 HydrophobicContact CG1-CE2 3.44Å; V1335-F1337 VanDerWaalsContact CG1-CE2 3.44Å; V1335-F1337 HydrophobicContact CG1-CZ 4.05Å; F1337-I1339 HydrophobicContact CB-CD1 4.11Å; F1337-I1339 HydrophobicContact CB-CG1 4.4Å; F1337-L1565 HydrophobicContact CE2-CD1 4.24Å; F1337-L1565 HydrophobicContact CE2-CG 4.46Å; F1337-Q1566 PolarHBondContact N-O 2.93Å; F1337-L1567 HydrophobicContact CB-CD1 3.7Å; F1337-L1567 HydrophobicContact CG-CD1 4.46Å; F1337-D1568 PolarHBondContact O-N 3.11Å
1338	K	92.9	Very high	87.4	Confident	58.4 Å²	58.4	35.7 Å²	35.7	25%	0.254	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.5	167	-63.1	-173	-178	-168.5	0	109	I1203 K1204 Y1206 H1336 D1568	I1203-K1338 WeakPolarHBondContact CA-O 3.37Å; K1204-K1338 HydrophobicContact CB-CB 4.46Å; K1204-K1338 PolarHBondContact N-O 3.04Å; K1204-K1338 PolarHBondContact O-N 3.11Å; Y1206-K1338 HydrophobicContact CE2-CD 4.09Å; Y1206-K1338 VanDerWaalsContact CE2-CE 3.49Å; Y1206-K1338 HydrophobicContact CE2-CG 4.33Å; Y1206-K1338 PolarHBondContact OH-NZ 3.49Å; H1336-K1338 WeakPolarHBondContact CE1-CE 3.38Å; H1336-K1338 PolarHBondContact CE1-NZ 2.93Å; H1336-K1338 WeakPolarHBondContact NE2-CE 3.33Å; K1338-D1568 WeakPolarHBondContact CE-OD2 3.33Å; K1338-D1568 HydrophobicContact CG-CB 4.35Å; K1338-D1568 IonicContact NZ-OD2 3.25Å; K1338-D1568 PolarHBondContact NZ-OD2 3.09Å
1339	I	92.4	Very high	87.2	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.4	-172.6	-56	-171.5	0	0	0	109.3	F1192 I1203 F1337 V1341 A1342 L1567 D1568 I1569 N1570	F1192-I1339 HydrophobicContact CB-CD1 4.45Å; F1192-I1339 HydrophobicContact CB-CG2 3.97Å; F1192-I1339 HydrophobicContact CD1-CD1 3.91Å; F1192-I1339 HydrophobicContact CD1-CG2 3.84Å; F1192-I1339 HydrophobicContact CD2-CD1 3.88Å; F1192-I1339 HydrophobicContact CE1-CD1 3.93Å; F1192-I1339 HydrophobicContact CE1-CG2 4.38Å; F1192-I1339 HydrophobicContact CE2-CD1 3.91Å; F1192-I1339 HydrophobicContact CG-CD1 3.89Å; F1192-I1339 HydrophobicContact CG-CG2 4.06Å; F1192-I1339 HydrophobicContact CZ-CD1 3.92Å; I1203-I1339 HydrophobicContact CG2-CG1 4.26Å; F1337-I1339 HydrophobicContact CB-CD1 4.11Å; F1337-I1339 HydrophobicContact CB-CG1 4.4Å; I1339-V1341 WeakPolarHBondContact CG2-O 3.29Å; I1339-A1342 HydrophobicContact CG2-CB 4.39Å; I1339-L1567 HydrophobicContact CD1-CD1 3.51Å; I1339-L1567 VanDerWaalsContact CD1-CD1 3.44Å; I1339-L1567 HydrophobicContact CG1-CD1 3.87Å; I1339-D1568 PolarHBondContact N-O 2.95Å; I1339-I1569 HydrophobicContact CB-CG1 4.32Å; I1339-I1569 HydrophobicContact CB-CG2 4.47Å; I1339-I1569 HydrophobicContact CG2-CG2 4.49Å; I1339-I1569 CarbonylContact O-C 3.47Å; I1339-I1569 VanDerWaalsContact O-CA 3.29Å; I1339-I1569 WeakPolarHBondContact O-CA 3.33Å; I1339-N1570 PolarHBondContact O-N 3.15Å
1340	P	90.7	Very high	87.2	Confident	8.2 Å²	8.2	42.4 Å²	42.4	5%	0.053	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-45.2	179.7	-17.8	28.5	0	0	0	113	K1195 E1201 N1570 S1571	K1195-P1340 HydrophobicContact CB-CB 4.25Å; E1201-P1340 HydrophobicContact CB-CG 4.27Å; E1201-P1340 HydrophobicContact CG-CG 4.15Å; E1201-P1340 VanDerWaalsContact O-CG 3.24Å; E1201-P1340 WeakPolarHBondContact O-CG 3.38Å; P1340-N1570 WeakPolarHBondContact O-CB 3.42Å; P1340-S1571 PolarHBondContact O-N 3.12Å; P1340-S1571 VanDerWaalsContact O-N 3.09Å
1341	V	90.2	Very high	87.4	Confident	14.8 Å²	14.8	41.6 Å²	41.6	9%	0.09	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	132.5	180	-174.9	0	0	0	0	109.7	F1192 T1193 K1195 M1196 I1339 E1343 S1571	F1192-V1341 WeakPolarHBondContact CA-O 3.3Å; T1193-V1341 HydrophobicContact CG2-CB 3.94Å; T1193-V1341 HydrophobicContact CG2-CG1 4.15Å; T1193-V1341 PolarHBondContact N-O 2.96Å; T1193-V1341 WeakPolarHBondContact O-CB 3.32Å; T1193-V1341 PolarHBondContact O-N 3.08Å; K1195-V1341 HydrophobicContact CB-CG2 3.81Å; K1195-V1341 HydrophobicContact CD-CG2 4.49Å; K1195-V1341 HydrophobicContact CG-CG2 4.07Å; K1195-V1341 VanDerWaalsContact O-CG2 3.26Å; K1195-V1341 WeakPolarHBondContact O-CG2 3.41Å; M1196-V1341 HydrophobicContact CB-CG2 3.72Å; M1196-V1341 HydrophobicContact CG-CG1 4.14Å; M1196-V1341 HydrophobicContact CG-CG2 3.86Å; I1339-V1341 WeakPolarHBondContact CG2-O 3.29Å; V1341-E1343 HydrophobicContact CG1-CG 4.39Å; V1341-S1571 CarbonylContact C-O 3.49Å; V1341-S1571 VanDerWaalsContact CA-O 3.29Å; V1341-S1571 WeakPolarHBondContact CA-O 3.37Å
1342	A	91.7	Very high	87.4	Confident	0.2 Å²	0.2	43.1 Å²	43.1	0%	0.002	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.8	171	0	0	0	0	0	110.7	Y1191 F1192 I1339 I1569 S1571 L1572 Q1573	Y1191-A1342 WeakPolarHBondContact O-CA 3.21Å; F1192-A1342 HydrophobicContact CD1-CB 3.55Å; F1192-A1342 HydrophobicContact CE1-CB 3.62Å; I1339-A1342 HydrophobicContact CG2-CB 4.39Å; A1342-I1569 HydrophobicContact CB-CD1 4.15Å; A1342-I1569 HydrophobicContact CB-CG2 3.71Å; A1342-S1571 PolarHBondContact N-O 3.09Å; A1342-L1572 HydrophobicContact CB-CD1 3.74Å; A1342-L1572 CarbonylContact O-C 3.56Å; A1342-L1572 WeakPolarHBondContact O-CA 3.38Å; A1342-Q1573 PolarHBondContact O-N 3.13Å
1343	E	91.1	Very high	87.5	Confident	64.6 Å²	64.6	42.4 Å²	42.4	30%	0.302	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.5	172.8	-82.5	167.2	-156.5	0	0	107.9	V1190 Y1191 V1341 V1345 Q1573	V1190-E1343 CarbonylContact C-O 3.52Å; V1190-E1343 WeakPolarHBondContact CA-O 3.3Å; Y1191-E1343 PolarHBondContact N-O 3.02Å; Y1191-E1343 PolarHBondContact O-N 2.97Å; V1341-E1343 HydrophobicContact CG1-CG 4.39Å; E1343-V1345 HydrophobicContact CG-CG2 4.23Å; E1343-Q1573 CarbonylContact C-O 3.53Å; E1343-Q1573 WeakPolarHBondContact CA-O 3.36Å
1344	I	91.2	Very high	87.4	Confident	45.4 Å²	45.4	42.1 Å²	42.1	23%	0.233	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.1	177.5	-56.8	-179.1	0	0	0	108.1	I1189 V1190 I1346 L1572 Q1573 L1574 T1575	I1189-I1344 CarbonylContact O-C 3.55Å; I1189-I1344 VanDerWaalsContact O-CA 3.29Å; I1189-I1344 WeakPolarHBondContact O-CA 3.39Å; I1189-I1344 WeakPolarHBondContact O-CG2 3.41Å; V1190-I1344 HydrophobicContact CG1-CG1 4.32Å; V1190-I1344 HydrophobicContact CG2-CG1 4.34Å; V1190-I1344 HydrophobicContact CG2-CG2 4.43Å; I1344-I1346 HydrophobicContact CG2-CD1 4.37Å; I1344-I1346 HydrophobicContact CG2-CG1 4.34Å; I1344-L1572 HydrophobicContact CD1-CD1 3.9Å; I1344-L1572 HydrophobicContact CG1-CD1 4.16Å; I1344-Q1573 PolarHBondContact N-O 2.97Å; I1344-L1574 HydrophobicContact CB-CD1 3.84Å; I1344-L1574 HydrophobicContact CG2-CD1 3.63Å; I1344-L1574 CarbonylContact O-C 3.4Å; I1344-L1574 WeakPolarHBondContact O-CA 3.36Å; I1344-T1575 PolarHBondContact O-N 3.17Å
1345	V	88.8	Confident	87.3	Confident	30.4 Å²	30.4	43 Å²	43	18%	0.184	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.6	-176.9	-174.2	0	0	0	0	110	I1189 E1343 E1347 T1575 F1577	I1189-V1345 PolarHBondContact O-N 2.94Å; E1343-V1345 HydrophobicContact CG-CG2 4.23Å; V1345-E1347 HydrophobicContact CG1-CG 4.27Å; V1345-T1575 WeakPolarHBondContact CA-O 3.32Å; V1345-F1577 HydrophobicContact CG1-CD2 4.42Å; V1345-F1577 HydrophobicContact CG1-CE2 3.84Å
1346	I	84.8	Confident	87	Confident	20.4 Å²	20.4	43.8 Å²	43.8	11%	0.105	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	98.9	178.5	-61.9	-139.7	0	0	0	109	I1189 I1344 V1352 L1574 T1575 T1576 F1577 Y1789	I1189-I1346 HydrophobicContact CG2-CD1 4.06Å; I1344-I1346 HydrophobicContact CG2-CD1 4.37Å; I1344-I1346 HydrophobicContact CG2-CG1 4.34Å; I1346-V1352 HydrophobicContact CB-CG2 4.42Å; I1346-V1352 HydrophobicContact CD1-CG2 4.15Å; I1346-V1352 HydrophobicContact CG1-CG2 4.27Å; I1346-V1352 HydrophobicContact CG2-CG2 3.34Å; I1346-V1352 VanDerWaalsContact CG2-CG2 3.4Å; I1346-L1574 HydrophobicContact CD1-CD1 3.92Å; I1346-L1574 HydrophobicContact CG1-CD1 4.07Å; I1346-T1575 PolarHBondContact N-O 3.02Å; I1346-T1576 HydrophobicContact CB-CG2 4.39Å; I1346-T1576 HydrophobicContact CG2-CG2 4.33Å; I1346-T1576 WeakPolarHBondContact O-CA 3.43Å; I1346-F1577 WeakPolarHBondContact O-CD2 3.33Å; I1346-F1577 PolarHBondContact O-N 3.03Å; I1346-F1577 VanDerWaalsContact O-N 3.14Å; I1346-Y1789 HydrophobicContact CD1-CE1 3.9Å; I1346-Y1789 WeakPolarHBondContact CD1-OH 3.43Å; I1346-Y1789 HydrophobicContact CG1-CE1 4.49Å
1347	E	78.3	Confident	86.7	Confident	60.2 Å²	60.2	44.9 Å²	44.9	28%	0.281	22%	0.222	S	C	.	.			trans	-76.6	-40.6	-179.3	-62.3	-175.4	157.7	0	0	112.8	V1345 F1577	V1345-E1347 HydrophobicContact CG1-CG 4.27Å; E1347-F1577 HydrophobicContact CB-CD2 4.39Å; E1347-F1577 HydrophobicContact CG-CD2 4.13Å; E1347-F1577 HydrophobicContact CG-CE2 4.29Å
1348	H	76.6	Confident	86.5	Confident	111.8 Å²	111.8	43.1 Å²	43.1	52%	0.518	21%	0.213	S	C	.	.			trans	-142	143.4	-169.5	-62.3	-29	0	0	0	112.5	Q1350 T1351 V1352	H1348-Q1350 VanDerWaalsContact C-N 3.28Å; H1348-Q1350 PolarHBondContact O-N 3.14Å; H1348-T1351 VanDerWaalsContact O-CB 3.3Å; H1348-T1351 WeakPolarHBondContact O-CB 3.36Å; H1348-T1351 PolarHBondContact O-N 2.92Å; H1348-T1351 VanDerWaalsContact O-N 3.16Å; H1348-T1351 PolarHBondContact O-OG1 3.27Å; H1348-V1352 PolarHBondContact O-N 3.03Å
1349	K	80.3	Confident	86.3	Confident	74.8 Å²	74.8	43.4 Å²	43.4	33%	0.325	22%	0.218	S	C	.	.	H	α-helix	trans	-52.9	-42.6	173.6	-172.6	179	-179.3	-128.8	0	112.4	T1351 V1352 E1353 S1787 L1788	K1349-T1351 VanDerWaalsContact C-N 3.28Å; K1349-T1351 PolarHBondContact O-N 3.15Å; K1349-T1351 VanDerWaalsContact O-N 3.11Å; K1349-V1352 WeakPolarHBondContact O-CA 3.25Å; K1349-V1352 WeakPolarHBondContact O-CB 3.34Å; K1349-V1352 PolarHBondContact O-N 3.04Å; K1349-V1352 VanDerWaalsContact O-N 3.07Å; K1349-E1353 HydrophobicContact CD-CG 4.39Å; K1349-E1353 WeakPolarHBondContact CE-OE1 3.32Å; K1349-E1353 HydrophobicContact CG-CG 4.23Å; K1349-E1353 IonicContact NZ-OE1 3.31Å; K1349-E1353 PolarHBondContact NZ-OE1 3Å; K1349-E1353 IonicContact NZ-OE2 2.79Å; K1349-E1353 PolarHBondContact NZ-OE2 3.05Å; K1349-E1353 WeakPolarHBondContact O-CG 3.31Å; K1349-E1353 PolarHBondContact O-N 3.19Å; K1349-S1787 WeakPolarHBondContact CD-O 3.32Å; K1349-S1787 WeakPolarHBondContact CE-O 3.37Å; K1349-S1787 PolarHBondContact NZ-O 3.34Å; K1349-L1788 HydrophobicContact CB-CD2 3.69Å; K1349-L1788 HydrophobicContact CG-CD2 4.07Å
1350	Q	80.6	Confident	85.8	Confident	145.2 Å²	145.2	48.5 Å²	48.5	68%	0.679	24%	0.242	S	C	*	.	H	α-helix	trans	-58.9	-31.8	178.8	-67.8	163.6	-13.5	0	0	112.6	H1348 V1352 E1353 L1354	H1348-Q1350 VanDerWaalsContact C-N 3.28Å; H1348-Q1350 PolarHBondContact O-N 3.14Å; Q1350-V1352 VanDerWaalsContact C-N 3.35Å; Q1350-E1353 PolarHBondContact O-N 2.86Å; Q1350-L1354 WeakPolarHBondContact O-CB 3.29Å; Q1350-L1354 PolarHBondContact O-N 3.12Å
1351	T	82.1	Confident	85.6	Confident	14 Å²	14	51.8 Å²	51.8	9%	0.086	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-41.1	175.6	-52.7	0	0	0	0	110.9	L1177 I1189 H1348 K1349 L1355	L1177-T1351 HydrophobicContact CD2-CG2 4.13Å; I1189-T1351 HydrophobicContact CD1-CG2 3.68Å; I1189-T1351 HydrophobicContact CG1-CG2 4.4Å; H1348-T1351 VanDerWaalsContact O-CB 3.3Å; H1348-T1351 WeakPolarHBondContact O-CB 3.36Å; H1348-T1351 PolarHBondContact O-N 2.92Å; H1348-T1351 VanDerWaalsContact O-N 3.16Å; H1348-T1351 PolarHBondContact O-OG1 3.27Å; K1349-T1351 VanDerWaalsContact C-N 3.28Å; K1349-T1351 PolarHBondContact O-N 3.15Å; K1349-T1351 VanDerWaalsContact O-N 3.11Å; T1351-L1355 HydrophobicContact CG2-CD1 4.09Å; T1351-L1355 HydrophobicContact CG2-CG 4.43Å; T1351-L1355 VanDerWaalsContact O-CB 3.27Å; T1351-L1355 WeakPolarHBondContact O-CB 3.31Å; T1351-L1355 VanDerWaalsContact O-CG 3.23Å; T1351-L1355 WeakPolarHBondContact O-CG 3.22Å; T1351-L1355 PolarHBondContact O-N 3.14Å
1352	V	83.1	Confident	85.5	Confident	32.6 Å²	32.6	51.2 Å²	51.2	20%	0.198	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-46.9	176.1	-172.8	0	0	0	0	111.1	I1346 H1348 K1349 Q1350 L1354 L1355 C1356 Y1789	I1346-V1352 HydrophobicContact CB-CG2 4.42Å; I1346-V1352 HydrophobicContact CD1-CG2 4.15Å; I1346-V1352 HydrophobicContact CG1-CG2 4.27Å; I1346-V1352 HydrophobicContact CG2-CG2 3.34Å; I1346-V1352 VanDerWaalsContact CG2-CG2 3.4Å; H1348-V1352 PolarHBondContact O-N 3.03Å; K1349-V1352 WeakPolarHBondContact O-CA 3.25Å; K1349-V1352 WeakPolarHBondContact O-CB 3.34Å; K1349-V1352 PolarHBondContact O-N 3.04Å; K1349-V1352 VanDerWaalsContact O-N 3.07Å; Q1350-V1352 VanDerWaalsContact C-N 3.35Å; V1352-L1354 VanDerWaalsContact C-N 3.31Å; V1352-L1354 PolarHBondContact O-N 2.96Å; V1352-L1355 PolarHBondContact O-N 2.92Å; V1352-C1356 VanDerWaalsContact O-CB 3.26Å; V1352-C1356 WeakPolarHBondContact O-CB 3.35Å; V1352-C1356 PolarHBondContact O-N 3.14Å; V1352-C1356 PolarHBondContact O-SG 2.96Å; V1352-C1356 VanDerWaalsContact O-SG 3.35Å; V1352-Y1789 HydrophobicContact CG1-CD1 4.12Å; V1352-Y1789 HydrophobicContact CG2-CE1 4.44Å
1353	E	84.4	Confident	85.2	Confident	54.4 Å²	54.4	53.5 Å²	53.5	25%	0.254	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-45.8	177.6	-70.7	175.2	142.7	0	0	111.1	K1349 Q1350 C1356 L1357 P1792	K1349-E1353 HydrophobicContact CD-CG 4.39Å; K1349-E1353 WeakPolarHBondContact CE-OE1 3.32Å; K1349-E1353 HydrophobicContact CG-CG 4.23Å; K1349-E1353 IonicContact NZ-OE1 3.31Å; K1349-E1353 PolarHBondContact NZ-OE1 3Å; K1349-E1353 IonicContact NZ-OE2 2.79Å; K1349-E1353 PolarHBondContact NZ-OE2 3.05Å; K1349-E1353 WeakPolarHBondContact O-CG 3.31Å; K1349-E1353 PolarHBondContact O-N 3.19Å; Q1350-E1353 PolarHBondContact O-N 2.86Å; E1353-C1356 WeakPolarHBondContact O-CB 3.28Å; E1353-C1356 PolarHBondContact O-N 3.1Å; E1353-L1357 VanDerWaalsContact O-CB 3.3Å; E1353-L1357 WeakPolarHBondContact O-CB 3.32Å; E1353-L1357 WeakPolarHBondContact O-CD1 3.37Å; E1353-L1357 VanDerWaalsContact O-CG 3.24Å; E1353-L1357 WeakPolarHBondContact O-CG 3.37Å; E1353-L1357 PolarHBondContact O-N 3.02Å; E1353-P1792 HydrophobicContact CB-CG 4.28Å; E1353-P1792 HydrophobicContact CG-CG 4.36Å
1354	L	86.5	Confident	84.8	Confident	44 Å²	44	56.6 Å²	56.6	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-45.1	177	-177.3	59.5	0	0	0	111.7	E1109 L1177 Q1350 V1352 C1356 L1357 R1358	E1109-L1354 HydrophobicContact CG-CD1 4.48Å; E1109-L1354 HydrophobicContact CG-CD2 4.26Å; E1109-L1354 WeakPolarHBondContact OE1-CD1 3.43Å; L1177-L1354 HydrophobicContact CD2-CD2 3.87Å; L1177-L1354 HydrophobicContact CD2-CG 4.37Å; Q1350-L1354 WeakPolarHBondContact O-CB 3.29Å; Q1350-L1354 PolarHBondContact O-N 3.12Å; V1352-L1354 VanDerWaalsContact C-N 3.31Å; V1352-L1354 PolarHBondContact O-N 2.96Å; L1354-C1356 VanDerWaalsContact C-N 3.31Å; L1354-C1356 PolarHBondContact O-N 2.97Å; L1354-L1357 PolarHBondContact O-N 2.88Å; L1354-R1358 HydrophobicContact CD1-CG 3.82Å; L1354-R1358 HydrophobicContact CG-CG 4.24Å; L1354-R1358 VanDerWaalsContact O-CB 3.28Å; L1354-R1358 WeakPolarHBondContact O-CB 3.38Å; L1354-R1358 VanDerWaalsContact O-CG 3.27Å; L1354-R1358 WeakPolarHBondContact O-CG 3.36Å; L1354-R1358 PolarHBondContact O-N 3.01Å
1355	L	86.8	Confident	84.4	Confident	32.2 Å²	32.2	56.9 Å²	56.9	17%	0.169	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-42.6	175.8	-112.3	133.7	0	0	0	111.7	L1111 L1177 I1189 T1351 V1352 R1358 L1359	L1111-L1355 HydrophobicContact CD1-CD1 4.21Å; L1111-L1355 HydrophobicContact CD2-CD2 3.85Å; L1177-L1355 HydrophobicContact CD1-CD2 4.49Å; I1189-L1355 HydrophobicContact CD1-CD1 4.16Å; I1189-L1355 HydrophobicContact CG2-CD1 4.16Å; T1351-L1355 HydrophobicContact CG2-CD1 4.09Å; T1351-L1355 HydrophobicContact CG2-CG 4.43Å; T1351-L1355 VanDerWaalsContact O-CB 3.27Å; T1351-L1355 WeakPolarHBondContact O-CB 3.31Å; T1351-L1355 VanDerWaalsContact O-CG 3.23Å; T1351-L1355 WeakPolarHBondContact O-CG 3.22Å; T1351-L1355 PolarHBondContact O-N 3.14Å; V1352-L1355 PolarHBondContact O-N 2.92Å; L1355-R1358 PolarHBondContact O-N 3.03Å; L1355-L1359 HydrophobicContact CB-CD1 4.41Å; L1355-L1359 HydrophobicContact CD1-CD1 3.78Å; L1355-L1359 HydrophobicContact CD1-CG 4.12Å; L1355-L1359 HydrophobicContact CD2-CD1 4.25Å; L1355-L1359 HydrophobicContact CG-CD1 3.85Å; L1355-L1359 HydrophobicContact CG-CG 4.4Å; L1355-L1359 WeakPolarHBondContact O-CB 3.36Å; L1355-L1359 VanDerWaalsContact O-CG 3.24Å; L1355-L1359 WeakPolarHBondContact O-CG 3.45Å; L1355-L1359 PolarHBondContact O-N 2.92Å
1356	C	86.7	Confident	84.3	Confident	38.2 Å²	38.2	58 Å²	58	26%	0.258	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-46.1	175.2	-139.4	0	0	0	0	111.4	V1352 E1353 L1354 R1358 M1360 P1792	V1352-C1356 VanDerWaalsContact O-CB 3.26Å; V1352-C1356 WeakPolarHBondContact O-CB 3.35Å; V1352-C1356 PolarHBondContact O-N 3.14Å; V1352-C1356 PolarHBondContact O-SG 2.96Å; V1352-C1356 VanDerWaalsContact O-SG 3.35Å; E1353-C1356 WeakPolarHBondContact O-CB 3.28Å; E1353-C1356 PolarHBondContact O-N 3.1Å; L1354-C1356 VanDerWaalsContact C-N 3.31Å; L1354-C1356 PolarHBondContact O-N 2.97Å; C1356-R1358 PolarHBondContact O-N 3.34Å; C1356-M1360 WeakPolarHBondContact O-CA 3.33Å; C1356-M1360 WeakPolarHBondContact O-CB 3.36Å; C1356-M1360 WeakPolarHBondContact O-CG 3.33Å; C1356-M1360 PolarHBondContact O-N 3.12Å; C1356-M1360 VanDerWaalsContact SG-SD 3.65Å; C1356-P1792 HydrophobicContact CB-CG 4.38Å
1357	L	87.9	Confident	84.1	Confident	34.4 Å²	34.4	62.1 Å²	62.1	18%	0.18	30%	0.302	C	S	.	.	I	π-helix	trans	-62.8	-45.4	176.2	-69.8	172.3	0	0	0	112.1	E1353 L1354 Y1361 D1362 P1792 F1796 I1797 E1800 Y1801	E1353-L1357 VanDerWaalsContact O-CB 3.3Å; E1353-L1357 WeakPolarHBondContact O-CB 3.32Å; E1353-L1357 WeakPolarHBondContact O-CD1 3.37Å; E1353-L1357 VanDerWaalsContact O-CG 3.24Å; E1353-L1357 WeakPolarHBondContact O-CG 3.37Å; E1353-L1357 PolarHBondContact O-N 3.02Å; L1354-L1357 PolarHBondContact O-N 2.88Å; L1357-Y1361 HydrophobicContact CD2-CD2 3.94Å; L1357-Y1361 HydrophobicContact CD2-CE2 4.21Å; L1357-Y1361 HydrophobicContact CD2-CG 4.26Å; L1357-Y1361 CarbonylContact O-C 3.59Å; L1357-Y1361 WeakPolarHBondContact O-CA 3.39Å; L1357-Y1361 VanDerWaalsContact O-CB 3.28Å; L1357-Y1361 WeakPolarHBondContact O-CB 3.34Å; L1357-Y1361 PolarHBondContact O-N 3.04Å; L1357-Y1361 VanDerWaalsContact O-N 3.14Å; L1357-D1362 PolarHBondContact O-N 2.98Å; L1357-P1792 HydrophobicContact CD1-CG 4.36Å; L1357-P1792 HydrophobicContact CD2-CB 4.27Å; L1357-P1792 HydrophobicContact CD2-CG 4.02Å; L1357-P1792 HydrophobicContact CG-CG 4.11Å; L1357-F1796 HydrophobicContact CD1-CD1 3.77Å; L1357-F1796 HydrophobicContact CD1-CE1 3.36Å; L1357-F1796 VanDerWaalsContact CD1-CE1 3.47Å; L1357-F1796 HydrophobicContact CD1-CZ 4.3Å; L1357-F1796 HydrophobicContact CG-CE1 4.41Å; L1357-I1797 HydrophobicContact CD2-CG1 4.22Å; L1357-E1800 HydrophobicContact CD1-CB 4.28Å; L1357-E1800 HydrophobicContact CD1-CG 4.01Å; L1357-Y1801 HydrophobicContact CB-CE2 4.5Å; L1357-Y1801 HydrophobicContact CD1-CE2 4.25Å; L1357-Y1801 HydrophobicContact CD2-CE2 3.97Å; L1357-Y1801 PolarHBondContact O-OH 2.82Å
1358	R	89.6	Confident	84.4	Confident	18.6 Å²	18.6	61.1 Å²	61.1	7%	0.07	30%	0.302	C	S	.	.	I	π-helix	trans	-72.6	-38.2	-176.8	-63.8	-58	172.9	-117.5	-7.3	112.9	F1059 E1109 L1354 L1355 C1356 D1362 L1363 E1800 Y1801	F1059-R1358 HydrophobicContact CB-CB 4.5Å; F1059-R1358 HydrophobicContact CD1-CB 3.81Å; F1059-R1358 WeakPolarHBondContact CD1-O 3.34Å; F1059-R1358 HydrophobicContact CD2-CB 3.63Å; F1059-R1358 HydrophobicContact CD2-CG 3.73Å; F1059-R1358 HydrophobicContact CE1-CB 3.78Å; F1059-R1358 HydrophobicContact CE2-CB 3.6Å; F1059-R1358 VanDerWaalsContact CE2-CB 3.48Å; F1059-R1358 HydrophobicContact CE2-CG 3.9Å; F1059-R1358 HydrophobicContact CG-CB 3.73Å; F1059-R1358 HydrophobicContact CG-CG 4.17Å; F1059-R1358 HydrophobicContact CZ-CB 3.67Å; F1059-R1358 VanDerWaalsContact CZ-CB 3.48Å; F1059-R1358 HydrophobicContact CZ-CG 4.37Å; E1109-R1358 VanDerWaalsContact CD-NH2 3.35Å; E1109-R1358 IonicContact OE1-CZ 3.35Å; E1109-R1358 VanDerWaalsContact OE1-CZ 3.31Å; E1109-R1358 IonicContact OE1-NE 3.14Å; E1109-R1358 PolarHBondContact OE1-NE 3.2Å; E1109-R1358 VanDerWaalsContact OE1-NE 3.14Å; E1109-R1358 IonicContact OE1-NH2 3.54Å; E1109-R1358 PolarHBondContact OE1-NH2 3.1Å; E1109-R1358 IonicContact OE2-CZ 3.26Å; E1109-R1358 IonicContact OE2-NE 3.8Å; E1109-R1358 PolarHBondContact OE2-NE 2.83Å; E1109-R1358 IonicContact OE2-NH2 3.42Å; E1109-R1358 PolarHBondContact OE2-NH2 2.75Å; L1354-R1358 HydrophobicContact CD1-CG 3.82Å; L1354-R1358 HydrophobicContact CG-CG 4.24Å; L1354-R1358 VanDerWaalsContact O-CB 3.28Å; L1354-R1358 WeakPolarHBondContact O-CB 3.38Å; L1354-R1358 VanDerWaalsContact O-CG 3.27Å; L1354-R1358 WeakPolarHBondContact O-CG 3.36Å; L1354-R1358 PolarHBondContact O-N 3.01Å; L1355-R1358 PolarHBondContact O-N 3.03Å; C1356-R1358 PolarHBondContact O-N 3.34Å; R1358-D1362 VanDerWaalsContact CD-OD2 3.23Å; R1358-D1362 WeakPolarHBondContact CD-OD2 3.4Å; R1358-D1362 IonicContact CZ-OD2 3.1Å; R1358-D1362 IonicContact NE-OD2 2.82Å; R1358-D1362 IonicContact NH1-OD1 3.77Å; R1358-D1362 IonicContact NH1-OD2 3.53Å; R1358-D1362 PolarHBondContact NH1-OD2 2.88Å; R1358-D1362 WeakPolarHBondContact O-CB 3.25Å; R1358-L1363 WeakPolarHBondContact O-CB 3.42Å; R1358-L1363 WeakPolarHBondContact O-CG 3.34Å; R1358-L1363 PolarHBondContact O-N 3.05Å; R1358-L1363 VanDerWaalsContact O-N 3.1Å; R1358-E1800 IonicContact CZ-OE2 2.84Å; R1358-E1800 IonicContact NH1-OE2 3.19Å; R1358-E1800 PolarHBondContact NH1-OE2 2.91Å; R1358-E1800 IonicContact NH2-OE1 3.74Å; R1358-E1800 IonicContact NH2-OE2 3.51Å; R1358-E1800 PolarHBondContact NH2-OE2 2.9Å; R1358-Y1801 PolarHBondContact NH1-OH 3.07Å
1359	L	87.7	Confident	84.6	Confident	65.8 Å²	65.8	56 Å²	56	35%	0.345	28%	0.278	S	S	.	.	I	π-helix	trans	-83.3	-43.8	178.8	-65.4	172.7	0	0	0	113.1	F1059 L1111 L1355 L1363 L1364	F1059-L1359 HydrophobicContact CE1-CD2 3.99Å; F1059-L1359 HydrophobicContact CZ-CD2 4.43Å; L1111-L1359 HydrophobicContact CD1-CD2 3.99Å; L1355-L1359 HydrophobicContact CB-CD1 4.41Å; L1355-L1359 HydrophobicContact CD1-CD1 3.78Å; L1355-L1359 HydrophobicContact CD1-CG 4.12Å; L1355-L1359 HydrophobicContact CD2-CD1 4.25Å; L1355-L1359 HydrophobicContact CG-CD1 3.85Å; L1355-L1359 HydrophobicContact CG-CG 4.4Å; L1355-L1359 WeakPolarHBondContact O-CB 3.36Å; L1355-L1359 VanDerWaalsContact O-CG 3.24Å; L1355-L1359 WeakPolarHBondContact O-CG 3.45Å; L1355-L1359 PolarHBondContact O-N 2.92Å; L1359-L1363 HydrophobicContact CD2-CD1 3.9Å; L1359-L1363 HydrophobicContact CD2-CD2 4.21Å; L1359-L1363 WeakPolarHBondContact O-CB 3.22Å; L1359-L1364 WeakPolarHBondContact O-CG 3.47Å; L1359-L1364 PolarHBondContact O-N 2.87Å
1360	M	82.7	Confident	84.7	Confident	107.6 Å²	107.6	52.7 Å²	52.7	53%	0.53	26%	0.264	S	S	.	.	I	π-helix	trans	-90.4	-32.4	-174.4	-56.7	-156.7	73.7	0	0	113.6	C1356 L1364	C1356-M1360 WeakPolarHBondContact O-CA 3.33Å; C1356-M1360 WeakPolarHBondContact O-CB 3.36Å; C1356-M1360 WeakPolarHBondContact O-CG 3.33Å; C1356-M1360 PolarHBondContact O-N 3.12Å; C1356-M1360 VanDerWaalsContact SG-SD 3.65Å; M1360-L1364 HydrophobicContact CB-CD1 4.41Å; M1360-L1364 HydrophobicContact CE-CD1 3.91Å; M1360-L1364 VanDerWaalsContact CE-CD1 3.44Å; M1360-L1364 HydrophobicContact CE-CG 4.16Å; M1360-L1364 VanDerWaalsContact O-CB 3.29Å; M1360-L1364 WeakPolarHBondContact O-CB 3.3Å; M1360-L1364 WeakPolarHBondContact O-CD1 3.42Å; M1360-L1364 WeakPolarHBondContact O-CG 3.31Å; M1360-L1364 PolarHBondContact O-N 3.2Å; M1360-L1364 HydrophobicContact SD-CD1 3.9Å
1361	Y	85.6	Confident	84.6	Confident	78.4 Å²	78.4	46 Å²	46	31%	0.307	23%	0.233	S	C	.	.	I	π-helix	trans	-101.6	-53.9	-177.9	-64.5	-102.2	0	0	0	111.7	L1357 L1363 L1365 I1797 Y1801 Y1804	L1357-Y1361 HydrophobicContact CD2-CD2 3.94Å; L1357-Y1361 HydrophobicContact CD2-CE2 4.21Å; L1357-Y1361 HydrophobicContact CD2-CG 4.26Å; L1357-Y1361 CarbonylContact O-C 3.59Å; L1357-Y1361 WeakPolarHBondContact O-CA 3.39Å; L1357-Y1361 VanDerWaalsContact O-CB 3.28Å; L1357-Y1361 WeakPolarHBondContact O-CB 3.34Å; L1357-Y1361 PolarHBondContact O-N 3.04Å; L1357-Y1361 VanDerWaalsContact O-N 3.14Å; Y1361-L1363 VanDerWaalsContact C-N 3.34Å; Y1361-L1363 PolarHBondContact O-N 3.21Å; Y1361-L1365 HydrophobicContact CD1-CD1 4.1Å; Y1361-L1365 HydrophobicContact CG-CD1 4.44Å; Y1361-L1365 WeakPolarHBondContact O-CA 3.3Å; Y1361-L1365 VanDerWaalsContact O-CB 3.27Å; Y1361-L1365 WeakPolarHBondContact O-CB 3.34Å; Y1361-L1365 VanDerWaalsContact O-CG 3.22Å; Y1361-L1365 WeakPolarHBondContact O-CG 3.31Å; Y1361-L1365 PolarHBondContact O-N 2.73Å; Y1361-I1797 HydrophobicContact CD1-CG2 4.4Å; Y1361-I1797 HydrophobicContact CE1-CD1 4.4Å; Y1361-I1797 HydrophobicContact CE1-CG1 4.49Å; Y1361-I1797 HydrophobicContact CE1-CG2 3.9Å; Y1361-I1797 WeakPolarHBondContact OH-CD1 3.27Å; Y1361-Y1801 VanDerWaalsContact CB-CE2 3.48Å; Y1361-Y1801 VanDerWaalsContact CB-CZ 3.43Å; Y1361-Y1801 HydrophobicContact CD1-CD2 4.31Å; Y1361-Y1801 HydrophobicContact CD1-CE2 4.31Å; Y1361-Y1801 HydrophobicContact CG-CD2 4.35Å; Y1361-Y1801 AromaticContact CG-CE2 3.88Å; Y1361-Y1801 HydrophobicContact CG-CE2 4.03Å; Y1361-Y1804 HydrophobicContact CD1-CE1 4.47Å; Y1361-Y1804 HydrophobicContact CE1-CD1 4.43Å; Y1361-Y1804 AromaticContact CE1-CE1 3.97Å; Y1361-Y1804 HydrophobicContact CE1-CE1 4.01Å
1362	D	88.5	Confident	84.3	Confident	2.6 Å²	2.6	51.5 Å²	51.5	1%	0.014	26%	0.262	C	S	.	.	I	π-helix	trans	-68.1	-44.1	-179	-75.5	-28.1	0	0	0	112.5	F1059 P1060 P1062 R1107 L1357 R1358 W1366 Y1801	F1059-D1362 HydrophobicContact CB-CB 4.34Å; P1060-D1362 WeakPolarHBondContact O-CB 3.28Å; P1062-D1362 WeakPolarHBondContact CD-OD1 3.39Å; R1107-D1362 WeakPolarHBondContact CG-OD2 3.33Å; R1107-D1362 IonicContact CZ-OD1 3.01Å; R1107-D1362 IonicContact CZ-OD2 2.87Å; R1107-D1362 IonicContact NE-OD1 3.07Å; R1107-D1362 PolarHBondContact NE-OD1 2.94Å; R1107-D1362 VanDerWaalsContact NE-OD1 3.1Å; R1107-D1362 IonicContact NE-OD2 2.99Å; R1107-D1362 PolarHBondContact NE-OD2 2.84Å; R1107-D1362 IonicContact NH2-OD1 3.08Å; R1107-D1362 PolarHBondContact NH2-OD1 3.18Å; R1107-D1362 IonicContact NH2-OD2 3.24Å; R1107-D1362 PolarHBondContact NH2-OD2 2.93Å; L1357-D1362 PolarHBondContact O-N 2.98Å; R1358-D1362 VanDerWaalsContact CD-OD2 3.23Å; R1358-D1362 WeakPolarHBondContact CD-OD2 3.4Å; R1358-D1362 IonicContact CZ-OD2 3.1Å; R1358-D1362 IonicContact NE-OD2 2.82Å; R1358-D1362 IonicContact NH1-OD1 3.77Å; R1358-D1362 IonicContact NH1-OD2 3.53Å; R1358-D1362 PolarHBondContact NH1-OD2 2.88Å; R1358-D1362 WeakPolarHBondContact O-CB 3.25Å; D1362-W1366 VanDerWaalsContact O-CB 3.24Å; D1362-W1366 WeakPolarHBondContact O-CB 3.35Å; D1362-W1366 PolarHBondContact O-N 3.19Å; D1362-Y1801 WeakPolarHBondContact OD1-CE1 3.47Å; D1362-Y1801 PolarHBondContact OD1-OH 2.75Å; D1362-Y1801 PolarHBondContact OD2-OH 3.33Å
1363	L	85.9	Confident	83.8	Confident	47.8 Å²	47.8	53.4 Å²	53.4	25%	0.25	27%	0.271	S	S	.	.	H	α-helix	trans	-79.6	-46.4	-179.2	-106.7	139.8	0	0	0	114.1	I950 L1057 F1059 P1060 R1358 L1359 Y1361 L1365 W1366	I950-L1363 HydrophobicContact CD1-CD1 3.6Å; I950-L1363 HydrophobicContact CD1-CD2 3.79Å; I950-L1363 HydrophobicContact CD1-CG 4.5Å; I950-L1363 HydrophobicContact CG1-CD1 4.44Å; L1057-L1363 HydrophobicContact CD2-CD1 4.38Å; L1057-L1363 HydrophobicContact CD2-CD2 4.29Å; F1059-L1363 HydrophobicContact CD1-CB 4.45Å; F1059-L1363 HydrophobicContact CD1-CD1 4.07Å; F1059-L1363 HydrophobicContact CD1-CD2 4.25Å; F1059-L1363 HydrophobicContact CD1-CG 3.9Å; F1059-L1363 HydrophobicContact CE1-CD1 3.98Å; F1059-L1363 HydrophobicContact CE1-CG 4.32Å; P1060-L1363 HydrophobicContact CG-CD2 4.35Å; R1358-L1363 WeakPolarHBondContact O-CB 3.42Å; R1358-L1363 WeakPolarHBondContact O-CG 3.34Å; R1358-L1363 PolarHBondContact O-N 3.05Å; R1358-L1363 VanDerWaalsContact O-N 3.1Å; L1359-L1363 HydrophobicContact CD2-CD1 3.9Å; L1359-L1363 HydrophobicContact CD2-CD2 4.21Å; L1359-L1363 WeakPolarHBondContact O-CB 3.22Å; Y1361-L1363 VanDerWaalsContact C-N 3.34Å; Y1361-L1363 PolarHBondContact O-N 3.21Å; L1363-L1365 PolarHBondContact O-N 2.84Å; L1363-W1366 PolarHBondContact O-N 3.19Å
1364	L	81.7	Confident	83.2	Confident	128.8 Å²	128.8	54.6 Å²	54.6	67%	0.674	27%	0.273	S	S	*	.	H	α-helix	trans	-76.6	-28.2	-176.3	-64.2	179.8	0	0	0	113.7	L1359 M1360	L1359-L1364 WeakPolarHBondContact O-CG 3.47Å; L1359-L1364 PolarHBondContact O-N 2.87Å; M1360-L1364 HydrophobicContact CB-CD1 4.41Å; M1360-L1364 HydrophobicContact CE-CD1 3.91Å; M1360-L1364 VanDerWaalsContact CE-CD1 3.44Å; M1360-L1364 HydrophobicContact CE-CG 4.16Å; M1360-L1364 VanDerWaalsContact O-CB 3.29Å; M1360-L1364 WeakPolarHBondContact O-CB 3.3Å; M1360-L1364 WeakPolarHBondContact O-CD1 3.42Å; M1360-L1364 WeakPolarHBondContact O-CG 3.31Å; M1360-L1364 PolarHBondContact O-N 3.2Å; M1360-L1364 HydrophobicContact SD-CD1 3.9Å
1365	L	83	Confident	82.2	Confident	52.4 Å²	52.4	57.9 Å²	57.9	27%	0.274	28%	0.283	S	S	.	.	H	α-helix	trans	-87	-12.7	175.9	-54.5	176	0	0	0	112.6	P1062 E1064 Y1361 L1363 Q1367 Y1801 Y1804	P1062-L1365 HydrophobicContact CB-CB 3.96Å; P1062-L1365 HydrophobicContact CG-CB 4.47Å; E1064-L1365 HydrophobicContact CB-CD1 4.5Å; E1064-L1365 HydrophobicContact CG-CD1 4.42Å; Y1361-L1365 HydrophobicContact CD1-CD1 4.1Å; Y1361-L1365 HydrophobicContact CG-CD1 4.44Å; Y1361-L1365 WeakPolarHBondContact O-CA 3.3Å; Y1361-L1365 VanDerWaalsContact O-CB 3.27Å; Y1361-L1365 WeakPolarHBondContact O-CB 3.34Å; Y1361-L1365 VanDerWaalsContact O-CG 3.22Å; Y1361-L1365 WeakPolarHBondContact O-CG 3.31Å; Y1361-L1365 PolarHBondContact O-N 2.73Å; L1363-L1365 PolarHBondContact O-N 2.84Å; L1365-Q1367 PolarHBondContact O-N 2.98Å; L1365-Y1801 HydrophobicContact CD1-CD1 4.11Å; L1365-Y1801 HydrophobicContact CD1-CE1 4.43Å; L1365-Y1804 HydrophobicContact CD1-CD2 3.73Å; L1365-Y1804 HydrophobicContact CD1-CE2 4.09Å; L1365-Y1804 HydrophobicContact CD1-CG 4.32Å; L1365-Y1804 HydrophobicContact CD2-CD2 3.94Å; L1365-Y1804 HydrophobicContact CD2-CE2 3.71Å; L1365-Y1804 HydrophobicContact CG-CD2 4.48Å
1366	W	86.5	Confident	81.5	Confident	54.6 Å²	54.6	60.5 Å²	60.5	21%	0.207	30%	0.296	C	S	.	.			trans	-64.9	125.4	-179.2	-174.6	82.8	0	0	0	111.6	I950 P1060 D1362 L1363	I950-W1366 HydrophobicContact CB-CE3 4.44Å; I950-W1366 HydrophobicContact CG2-CD2 4.42Å; I950-W1366 HydrophobicContact CG2-CE3 3.73Å; I950-W1366 HydrophobicContact CG2-CH2 3.99Å; I950-W1366 HydrophobicContact CG2-CZ2 4.45Å; I950-W1366 HydrophobicContact CG2-CZ3 3.49Å; I950-W1366 VanDerWaalsContact CG2-CZ3 3.49Å; P1060-W1366 HydrophobicContact CB-CB 4.48Å; P1060-W1366 VanDerWaalsContact CB-CD1 3.49Å; P1060-W1366 HydrophobicContact CB-CD2 4.41Å; P1060-W1366 HydrophobicContact CB-CG 3.95Å; P1060-W1366 HydrophobicContact CG-CB 3.83Å; P1060-W1366 VanDerWaalsContact CG-CD1 3.4Å; P1060-W1366 HydrophobicContact CG-CD2 4.2Å; P1060-W1366 HydrophobicContact CG-CG 3.56Å; P1060-W1366 VanDerWaalsContact CG-CG 3.5Å; D1362-W1366 VanDerWaalsContact O-CB 3.24Å; D1362-W1366 WeakPolarHBondContact O-CB 3.35Å; D1362-W1366 PolarHBondContact O-N 3.19Å; L1363-W1366 PolarHBondContact O-N 3.19Å
1367	Q	82.2	Confident	80.9	Confident	106.2 Å²	106.2	60.7 Å²	60.7	50%	0.496	29%	0.292	S	S	.	.			trans	-125.1	148.8	170.8	-62.1	-178.4	7.2	0	0	108.8	L1365 L1369	L1365-Q1367 PolarHBondContact O-N 2.98Å; Q1367-L1369 PolarHBondContact O-N 3.09Å
1368	S	82.9	Confident	79.9	Confident	39.2 Å²	39.2	60.3 Å²	60.3	27%	0.274	29%	0.293	S	S	.	.			trans	-51.2	131.7	171.6	173	0	0	0	0	110.5	D954 R1078 L1370	D954-S1368 WeakPolarHBondContact OD1-CA 3.29Å; D954-S1368 VanDerWaalsContact OD1-CB 3.26Å; D954-S1368 WeakPolarHBondContact OD1-CB 3.43Å; D954-S1368 PolarHBondContact OD1-OG 2.88Å; R1078-S1368 PolarHBondContact NH1-O 3.31Å; S1368-L1370 PolarHBondContact O-N 3.09Å; S1368-L1370 WeakPolarHBondContact OG-CB 3.35Å; S1368-L1370 PolarHBondContact OG-N 3.14Å
1369	L	82.6	Confident	78.9	Confident	4.6 Å²	4.6	63.2 Å²	63.2	2%	0.024	31%	0.313	C	S	.	.	S	Bend	trans	-74.1	-11.6	178.6	-61.1	176.5	0	0	0	112.3	D954 I1063 L1081 W1082 I1099 W1101 Q1367	D954-L1369 VanDerWaalsContact OD2-CB 3.26Å; D954-L1369 WeakPolarHBondContact OD2-CB 3.4Å; D954-L1369 VanDerWaalsContact OD2-CG 3.28Å; D954-L1369 WeakPolarHBondContact OD2-CG 3.44Å; D954-L1369 PolarHBondContact OD2-N 3.43Å; I1063-L1369 HydrophobicContact CB-CD2 4.34Å; I1063-L1369 HydrophobicContact CD1-CD2 4.45Å; L1081-L1369 HydrophobicContact CD1-CD2 4.11Å; L1081-L1369 HydrophobicContact CD2-CB 3.66Å; L1081-L1369 HydrophobicContact CD2-CD1 4.26Å; L1081-L1369 HydrophobicContact CD2-CD2 4.02Å; L1081-L1369 HydrophobicContact CD2-CG 4.25Å; W1082-L1369 PolarHBondContact NE1-O 3.24Å; I1099-L1369 HydrophobicContact CD1-CD1 3.74Å; I1099-L1369 HydrophobicContact CD1-CD2 3.84Å; I1099-L1369 HydrophobicContact CD1-CG 4.42Å; I1099-L1369 HydrophobicContact CG1-CD1 3.77Å; I1099-L1369 HydrophobicContact CG2-CD1 3.47Å; I1099-L1369 VanDerWaalsContact CG2-CD1 3.47Å; I1099-L1369 HydrophobicContact CG2-CD2 4.07Å; I1099-L1369 HydrophobicContact CG2-CG 4.31Å; W1101-L1369 HydrophobicContact CB-CB 4.05Å; W1101-L1369 HydrophobicContact CB-CD1 4.4Å; Q1367-L1369 PolarHBondContact O-N 3.09Å
1370	L	81.2	Confident	78.1	Confident	5.2 Å²	5.2	60.8 Å²	60.8	3%	0.027	30%	0.301	C	S	.	.	S	Bend	trans	-82.4	159.9	-178	-57.2	179.9	0	0	0	112.1	D954 H957 R1078 W1101 S1368 N1372 R1377 L1380 F1404	D954-L1370 HydrophobicContact CB-CD1 4.24Å; D954-L1370 HydrophobicContact CB-CG 4.22Å; H957-L1370 HydrophobicContact CB-CD1 3.4Å; H957-L1370 VanDerWaalsContact CB-CD1 3.43Å; H957-L1370 VanDerWaalsContact CG-CD1 3.45Å; R1078-L1370 PolarHBondContact NH1-O 2.71Å; W1101-L1370 HydrophobicContact CB-CD2 3.73Å; W1101-L1370 HydrophobicContact CB-CG 4.45Å; W1101-L1370 HydrophobicContact CD2-CD2 3.88Å; W1101-L1370 HydrophobicContact CE3-CD2 4.03Å; W1101-L1370 HydrophobicContact CG-CD2 3.76Å; S1368-L1370 PolarHBondContact O-N 3.09Å; S1368-L1370 WeakPolarHBondContact OG-CB 3.35Å; S1368-L1370 PolarHBondContact OG-N 3.14Å; L1370-N1372 PolarHBondContact O-N 3.15Å; L1370-R1377 HydrophobicContact CB-CG 4.05Å; L1370-R1377 HydrophobicContact CD1-CG 4.41Å; L1370-L1380 HydrophobicContact CD2-CD1 3.71Å; L1370-F1404 HydrophobicContact CD1-CD2 3.94Å; L1370-F1404 HydrophobicContact CD1-CE1 4.39Å; L1370-F1404 HydrophobicContact CD1-CE2 3.47Å; L1370-F1404 VanDerWaalsContact CD1-CE2 3.47Å; L1370-F1404 HydrophobicContact CD1-CZ 3.74Å
1371	P	78.9	Confident	77.3	Confident	5.2 Å²	5.2	61.5 Å²	61.5	3%	0.034	30%	0.301	C	S	.	.			trans	-61.3	145.7	167.1	-11.4	18.9	0	0	0	111.8	W1082 D1373 L1376 R1377 L1380	W1082-P1371 HydrophobicContact CD2-CB 4.35Å; W1082-P1371 HydrophobicContact CD2-CG 3.97Å; W1082-P1371 HydrophobicContact CE3-CG 4.31Å; W1082-P1371 HydrophobicContact CG-CG 4.2Å; W1082-P1371 HydrophobicContact CH2-CB 4.27Å; W1082-P1371 HydrophobicContact CH2-CG 4.34Å; W1082-P1371 HydrophobicContact CZ2-CB 3.94Å; W1082-P1371 HydrophobicContact CZ2-CG 3.99Å; W1082-P1371 HydrophobicContact CZ3-CB 4.43Å; W1082-P1371 HydrophobicContact CZ3-CG 4.48Å; W1082-P1371 VanDerWaalsContact NE1-CD 3.33Å; P1371-D1373 VanDerWaalsContact C-N 3.28Å; P1371-D1373 PolarHBondContact O-N 2.94Å; P1371-L1376 HydrophobicContact CB-CB 3.82Å; P1371-L1376 HydrophobicContact CB-CD1 4.29Å; P1371-L1376 HydrophobicContact CG-CB 3.81Å; P1371-R1377 HydrophobicContact CB-CB 4.48Å; P1371-R1377 HydrophobicContact CB-CG 4.43Å; P1371-R1377 HydrophobicContact CG-CG 3.69Å; P1371-R1377 VanDerWaalsContact O-CD 3.32Å; P1371-R1377 WeakPolarHBondContact O-CD 3.31Å; P1371-R1377 VanDerWaalsContact O-CG 3.25Å; P1371-R1377 WeakPolarHBondContact O-CG 3.25Å; P1371-R1377 VanDerWaalsContact O-CZ 3.31Å; P1371-R1377 PolarHBondContact O-NE 3.2Å; P1371-R1377 PolarHBondContact O-NH1 3.01Å; P1371-R1377 PolarHBondContact O-NH2 3.48Å; P1371-L1380 HydrophobicContact CG-CD1 4.38Å
1372	N	74.7	Confident	76.4	Confident	129.4 Å²	129.4	60.5 Å²	60.5	69%	0.692	30%	0.296	S	S	*	.	S	Bend	trans	-66.4	-30.7	172.5	-69.4	6.6	0	0	0	112	L1370 R1374 R1377	L1370-N1372 PolarHBondContact O-N 3.15Å; N1372-R1374 PolarHBondContact O-N 3.03Å; N1372-R1377 VanDerWaalsContact C-NH1 3.27Å; N1372-R1377 PolarHBondContact O-NH1 2.97Å
1373	D	73.1	Confident	75.1	Confident	70.8 Å²	70.8	62.2 Å²	62.2	38%	0.379	31%	0.307	S	S	.	.	S	Bend	trans	-72.8	116.5	174.3	-179.7	4.7	0	0	0	111.3	P1371 R1375 L1376 R1377	P1371-D1373 VanDerWaalsContact C-N 3.28Å; P1371-D1373 PolarHBondContact O-N 2.94Å; D1373-R1375 VanDerWaalsContact C-N 3.3Å; D1373-R1375 PolarHBondContact O-N 2.86Å; D1373-R1375 WeakPolarHBondContact OD1-CB 3.35Å; D1373-R1375 WeakPolarHBondContact OD1-CG 3.36Å; D1373-R1375 PolarHBondContact OD1-N 2.95Å; D1373-L1376 HydrophobicContact CB-CB 4.27Å; D1373-L1376 HydrophobicContact CB-CD1 4.14Å; D1373-L1376 HydrophobicContact CB-CG 4.14Å; D1373-L1376 WeakPolarHBondContact O-CB 3.46Å; D1373-L1376 PolarHBondContact O-N 3.08Å; D1373-L1376 VanDerWaalsContact O-N 3.16Å; D1373-L1376 PolarHBondContact OD2-N 3.49Å; D1373-R1377 WeakPolarHBondContact O-CB 3.46Å; D1373-R1377 WeakPolarHBondContact O-CG 3.39Å; D1373-R1377 PolarHBondContact O-N 3.15Å
1374	R	72.1	Confident	73.4	Confident	79.6 Å²	79.6	65.8 Å²	65.8	30%	0.3	33%	0.327	S	S	.	.	H	α-helix	trans	-54.3	-34.8	174.8	-84.7	-178.2	173.8	163.3	7.1	112.9	D961 A964 A965 C988 D989 N1372 L1376 R1377 A1378 L1405 D1407 P1408	D961-R1374 VanDerWaalsContact C-NH2 3.26Å; D961-R1374 HydrophobicContact CB-CG 4.18Å; D961-R1374 PolarHBondContact O-NH1 2.6Å; D961-R1374 PolarHBondContact O-NH2 2.85Å; D961-R1374 VanDerWaalsContact OD1-CD 3.29Å; D961-R1374 WeakPolarHBondContact OD1-CD 3.49Å; D961-R1374 WeakPolarHBondContact OD1-CG 3.27Å; D961-R1374 IonicContact OD1-NE 3.61Å; D961-R1374 PolarHBondContact OD1-NE 2.89Å; D961-R1374 VanDerWaalsContact OD1-NE 3.17Å; A964-R1374 VanDerWaalsContact CB-NH2 3.33Å; A965-R1374 VanDerWaalsContact CB-NH1 3.32Å; A965-R1374 VanDerWaalsContact N-NH1 3.12Å; C988-R1374 PolarHBondContact O-NH2 3.36Å; D989-R1374 IonicContact OD1-NH2 2.75Å; D989-R1374 IonicContact OD2-CZ 3.66Å; D989-R1374 IonicContact OD2-NH1 2.74Å; D989-R1374 IonicContact OD2-NH2 3.18Å; D989-R1374 PolarHBondContact OD2-NH2 2.82Å; N1372-R1374 PolarHBondContact O-N 3.03Å; R1374-L1376 VanDerWaalsContact C-N 3.32Å; R1374-R1377 VanDerWaalsContact CG-NH2 3.31Å; R1374-R1377 WeakPolarHBondContact O-CB 3.34Å; R1374-R1377 PolarHBondContact O-N 2.98Å; R1374-A1378 WeakPolarHBondContact O-CB 3.4Å; R1374-A1378 PolarHBondContact O-N 3.22Å; R1374-L1405 HydrophobicContact CB-CD2 4.36Å; R1374-D1407 IonicContact CZ-OD2 3.59Å; R1374-D1407 IonicContact NE-OD2 2.79Å; R1374-D1407 IonicContact NH2-OD1 3.15Å; R1374-D1407 IonicContact NH2-OD2 3.84Å; R1374-D1407 PolarHBondContact NH2-OD2 3.35Å; R1374-P1408 PolarHBondContact NH1-O 2.84Å
1375	R	66.7	Low	71.8	Confident	115 Å²	115	64.8 Å²	64.8	43%	0.434	32%	0.319	S	S	.	.	H	α-helix	trans	-67.2	-46.8	178.8	-63.7	-178.7	148.6	-176.4	-1.4	110.9	D1373 R1377 A1378 T1379 L1405 D1407 L1411 E1428	D1373-R1375 VanDerWaalsContact C-N 3.3Å; D1373-R1375 PolarHBondContact O-N 2.86Å; D1373-R1375 WeakPolarHBondContact OD1-CB 3.35Å; D1373-R1375 WeakPolarHBondContact OD1-CG 3.36Å; D1373-R1375 PolarHBondContact OD1-N 2.95Å; R1375-R1377 VanDerWaalsContact C-N 3.28Å; R1375-R1377 PolarHBondContact O-N 2.88Å; R1375-A1378 PolarHBondContact O-N 2.96Å; R1375-A1378 VanDerWaalsContact O-N 3.13Å; R1375-T1379 WeakPolarHBondContact O-CG2 3.34Å; R1375-T1379 PolarHBondContact O-N 3.05Å; R1375-L1405 HydrophobicContact CG-CB 4.48Å; R1375-L1405 WeakPolarHBondContact CG-O 3.14Å; R1375-L1405 PolarHBondContact NE-O 3Å; R1375-L1405 PolarHBondContact NH2-O 2.9Å; R1375-D1407 IonicContact CZ-OD1 3.49Å; R1375-D1407 IonicContact CZ-OD2 3.46Å; R1375-D1407 IonicContact NH1-OD1 3.33Å; R1375-D1407 PolarHBondContact NH1-OD1 3.3Å; R1375-D1407 IonicContact NH1-OD2 3.42Å; R1375-D1407 PolarHBondContact NH1-OD2 3.37Å; R1375-D1407 VanDerWaalsContact NH2-CA 3.33Å; R1375-D1407 VanDerWaalsContact NH2-CG 3.33Å; R1375-D1407 VanDerWaalsContact NH2-N 3.19Å; R1375-D1407 IonicContact NH2-OD1 2.8Å; R1375-D1407 PolarHBondContact NH2-OD1 3.1Å; R1375-D1407 IonicContact NH2-OD2 3.99Å; R1375-D1407 PolarHBondContact NH2-OD2 3.5Å; R1375-L1411 HydrophobicContact CG-CD2 4.23Å; R1375-E1428 IonicContact NH1-OE1 2.62Å
1376	L	71.1	Confident	69.4	Low	86.2 Å²	86.2	68.8 Å²	68.8	45%	0.451	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-44.8	174.1	-67.2	178.6	0	0	0	111.2	P1371 D1373 R1374 A1378 T1379 L1380	P1371-L1376 HydrophobicContact CB-CB 3.82Å; P1371-L1376 HydrophobicContact CB-CD1 4.29Å; P1371-L1376 HydrophobicContact CG-CB 3.81Å; D1373-L1376 HydrophobicContact CB-CB 4.27Å; D1373-L1376 HydrophobicContact CB-CD1 4.14Å; D1373-L1376 HydrophobicContact CB-CG 4.14Å; D1373-L1376 WeakPolarHBondContact O-CB 3.46Å; D1373-L1376 PolarHBondContact O-N 3.08Å; D1373-L1376 VanDerWaalsContact O-N 3.16Å; D1373-L1376 PolarHBondContact OD2-N 3.49Å; R1374-L1376 VanDerWaalsContact C-N 3.32Å; L1376-A1378 VanDerWaalsContact C-N 3.32Å; L1376-A1378 PolarHBondContact O-N 3.17Å; L1376-T1379 PolarHBondContact O-N 3.01Å; L1376-T1379 VanDerWaalsContact O-N 3.11Å; L1376-T1379 PolarHBondContact O-OG1 3.18Å; L1376-L1380 PolarHBondContact O-N 3.17Å
1377	R	73.8	Confident	66.8	Low	42.6 Å²	42.6	71 Å²	71	16%	0.161	37%	0.368	C	S	.	.	H	α-helix	trans	-53.7	-48	176.3	-84.3	-162.9	-70.2	-105.8	11	112.7	H957 D961 L1370 P1371 N1372 D1373 R1374 R1375 T1379 L1380	H957-R1377 PolarHBondContact NE2-O 2.82Å; D961-R1377 IonicContact OD1-CZ 3.66Å; D961-R1377 IonicContact OD1-NE 3.46Å; D961-R1377 PolarHBondContact OD1-NE 3.04Å; D961-R1377 IonicContact OD1-NH2 3.32Å; D961-R1377 PolarHBondContact OD1-NH2 3.04Å; D961-R1377 IonicContact OD2-CZ 3.49Å; D961-R1377 IonicContact OD2-NE 3.54Å; D961-R1377 PolarHBondContact OD2-NE 3.22Å; D961-R1377 IonicContact OD2-NH2 3.01Å; D961-R1377 PolarHBondContact OD2-NH2 3.03Å; L1370-R1377 HydrophobicContact CB-CG 4.05Å; L1370-R1377 HydrophobicContact CD1-CG 4.41Å; P1371-R1377 HydrophobicContact CB-CB 4.48Å; P1371-R1377 HydrophobicContact CB-CG 4.43Å; P1371-R1377 HydrophobicContact CG-CG 3.69Å; P1371-R1377 VanDerWaalsContact O-CD 3.32Å; P1371-R1377 WeakPolarHBondContact O-CD 3.31Å; P1371-R1377 VanDerWaalsContact O-CG 3.25Å; P1371-R1377 WeakPolarHBondContact O-CG 3.25Å; P1371-R1377 VanDerWaalsContact O-CZ 3.31Å; P1371-R1377 PolarHBondContact O-NE 3.2Å; P1371-R1377 PolarHBondContact O-NH1 3.01Å; P1371-R1377 PolarHBondContact O-NH2 3.48Å; N1372-R1377 VanDerWaalsContact C-NH1 3.27Å; N1372-R1377 PolarHBondContact O-NH1 2.97Å; D1373-R1377 WeakPolarHBondContact O-CB 3.46Å; D1373-R1377 WeakPolarHBondContact O-CG 3.39Å; D1373-R1377 PolarHBondContact O-N 3.15Å; R1374-R1377 VanDerWaalsContact CG-NH2 3.31Å; R1374-R1377 WeakPolarHBondContact O-CB 3.34Å; R1374-R1377 PolarHBondContact O-N 2.98Å; R1375-R1377 VanDerWaalsContact C-N 3.28Å; R1375-R1377 PolarHBondContact O-N 2.88Å; R1377-T1379 VanDerWaalsContact C-N 3.28Å; R1377-T1379 PolarHBondContact O-N 3.21Å; R1377-T1379 VanDerWaalsContact O-N 3.13Å; R1377-L1380 VanDerWaalsContact O-CB 3.29Å; R1377-L1380 WeakPolarHBondContact O-CB 3.45Å; R1377-L1380 WeakPolarHBondContact O-CG 3.33Å; R1377-L1380 PolarHBondContact O-N 3.04Å; R1377-L1380 VanDerWaalsContact O-N 3.08Å
1378	A	67.3	Low	64.4	Low	25.6 Å²	25.6	74.1 Å²	74.1	21%	0.212	38%	0.383	C	S	.	.	H	α-helix	trans	-65.4	-22.1	-178.5	0	0	0	0	0	114	R1374 R1375 L1376 L1380 Y1402 L1405 I1414	R1374-A1378 WeakPolarHBondContact O-CB 3.4Å; R1374-A1378 PolarHBondContact O-N 3.22Å; R1375-A1378 PolarHBondContact O-N 2.96Å; R1375-A1378 VanDerWaalsContact O-N 3.13Å; L1376-A1378 VanDerWaalsContact C-N 3.32Å; L1376-A1378 PolarHBondContact O-N 3.17Å; A1378-L1380 VanDerWaalsContact C-N 3.28Å; A1378-L1380 PolarHBondContact O-N 2.94Å; A1378-Y1402 HydrophobicContact CB-CD1 4.1Å; A1378-Y1402 HydrophobicContact CB-CD2 4.08Å; A1378-Y1402 HydrophobicContact CB-CG 3.73Å; A1378-Y1402 WeakPolarHBondContact O-CD2 3.48Å; A1378-Y1402 WeakPolarHBondContact O-CE2 3.32Å; A1378-L1405 HydrophobicContact CB-CD1 3.55Å; A1378-I1414 HydrophobicContact CB-CD1 4.28Å
1379	T	67.8	Low	61.9	Low	79.6 Å²	79.6	78.2 Å²	78.2	49%	0.488	41%	0.406	S	S	.	.	H	α-helix	trans	-80.6	-14.5	175	64.9	0	0	0	0	114.2	R1375 L1376 R1377 K1381 Y1402	R1375-T1379 WeakPolarHBondContact O-CG2 3.34Å; R1375-T1379 PolarHBondContact O-N 3.05Å; L1376-T1379 PolarHBondContact O-N 3.01Å; L1376-T1379 VanDerWaalsContact O-N 3.11Å; L1376-T1379 PolarHBondContact O-OG1 3.18Å; R1377-T1379 VanDerWaalsContact C-N 3.28Å; R1377-T1379 PolarHBondContact O-N 3.21Å; R1377-T1379 VanDerWaalsContact O-N 3.13Å; T1379-K1381 PolarHBondContact O-N 3.03Å; T1379-Y1402 HydrophobicContact CG2-CE1 3.65Å
1380	L	70.8	Confident	59.6	Low	16 Å²	16	83.8 Å²	83.8	8%	0.084	44%	0.44	C	S	.	.			trans	-65.6	132.4	-178.4	-61.7	176.6	0	0	0	111.2	R958 W1082 W1101 L1370 P1371 L1376 R1377 A1378	R958-L1380 PolarHBondContact NH2-O 3.17Å; W1082-L1380 HydrophobicContact CB-CD2 3.86Å; W1082-L1380 HydrophobicContact CG-CD2 4.36Å; W1082-L1380 WeakPolarHBondContact O-CD2 3.46Å; W1101-L1380 HydrophobicContact CH2-CB 4.18Å; W1101-L1380 HydrophobicContact CZ2-CB 3.83Å; L1370-L1380 HydrophobicContact CD2-CD1 3.71Å; P1371-L1380 HydrophobicContact CG-CD1 4.38Å; L1376-L1380 PolarHBondContact O-N 3.17Å; R1377-L1380 VanDerWaalsContact O-CB 3.29Å; R1377-L1380 WeakPolarHBondContact O-CB 3.45Å; R1377-L1380 WeakPolarHBondContact O-CG 3.33Å; R1377-L1380 PolarHBondContact O-N 3.04Å; R1377-L1380 VanDerWaalsContact O-N 3.08Å; A1378-L1380 VanDerWaalsContact C-N 3.28Å; A1378-L1380 PolarHBondContact O-N 2.94Å
1381	K	67.5	Low	57.2	Low	122.4 Å²	122.4	91.2 Å²	91.2	53%	0.532	48%	0.479	S	S	.	.			trans	-121.4	141.8	176.2	-67.1	-178.7	-179.5	-179.7	0	109.8	T1379 D1399 R1401 S1406	T1379-K1381 PolarHBondContact O-N 3.03Å; K1381-D1399 IonicContact NZ-OD2 3.59Å; K1381-D1399 PolarHBondContact NZ-OD2 2.77Å; K1381-R1401 VanDerWaalsContact CE-CZ 3.42Å; K1381-R1401 VanDerWaalsContact NZ-NH2 3.15Å; K1381-S1406 VanDerWaalsContact CE-O 3.24Å; K1381-S1406 WeakPolarHBondContact CE-O 3.46Å
1382	R	66.3	Low	55	Low	57 Å²	57	93.4 Å²	93.4	22%	0.215	50%	0.495	C	S	.	.			trans	-63.3	135.5	169.8	-174.4	175.5	177.8	178.1	-1	109.8	E618 D797 F848 S850 W1102 N1384	E618-R1382 WeakPolarHBondContact OE1-CB 3.28Å; E618-R1382 PolarHBondContact OE1-N 2.81Å; D797-R1382 IonicContact OD1-NH1 3.27Å; D797-R1382 PolarHBondContact OD1-NH1 2.94Å; D797-R1382 IonicContact OD2-CZ 3.06Å; D797-R1382 IonicContact OD2-NH1 3.28Å; D797-R1382 PolarHBondContact OD2-NH1 3.08Å; D797-R1382 IonicContact OD2-NH2 2.77Å; F848-R1382 PolarHBondContact O-NH2 2.8Å; S850-R1382 PolarHBondContact OG-NE 2.94Å; S850-R1382 PolarHBondContact OG-NH2 2.86Å; W1102-R1382 HydrophobicContact CB-CG 4.43Å; W1102-R1382 HydrophobicContact CD2-CG 3.92Å; W1102-R1382 HydrophobicContact CE3-CG 4.31Å; W1102-R1382 VanDerWaalsContact CE3-CZ 3.46Å; W1102-R1382 VanDerWaalsContact CE3-NE 3.32Å; W1102-R1382 HydrophobicContact CG-CB 4.44Å; W1102-R1382 HydrophobicContact CG-CG 4.06Å; W1102-R1382 VanDerWaalsContact CZ3-CZ 3.44Å; W1102-R1382 VanDerWaalsContact CZ3-NE 3.34Å; R1382-N1384 PolarHBondContact O-N 2.86Å; R1382-N1384 VanDerWaalsContact O-N 3.1Å
1383	P	60.2	Low	53.3	Low	38.2 Å²	38.2	93.6 Å²	93.6	25%	0.248	50%	0.501	C	S	.	.			trans	-62.4	134.5	173.7	-11.1	19.9	0	0	0	110.9	A1084 W1102 H1385	A1084-P1383 WeakPolarHBondContact O-CG 3.33Å; W1102-P1383 HydrophobicContact CH2-CG 3.4Å; W1102-P1383 VanDerWaalsContact CH2-CG 3.4Å; W1102-P1383 HydrophobicContact CZ2-CG 4.14Å; W1102-P1383 HydrophobicContact CZ3-CG 4.04Å; P1383-H1385 VanDerWaalsContact C-N 3.28Å; P1383-H1385 PolarHBondContact O-CD2 3.05Å; P1383-H1385 PolarHBondContact O-N 2.96Å
1384	N	52.1	Low	51.7	Low	123.8 Å²	123.8	95.4 Å²	95.4	66%	0.662	52%	0.515	S	S	*	.			trans	-48.6	66.3	175.3	-64.9	-24.2	0	0	0	113.1	R1382 T1386	R1382-N1384 PolarHBondContact O-N 2.86Å; R1382-N1384 VanDerWaalsContact O-N 3.1Å; N1384-T1386 PolarHBondContact O-N 2.98Å; N1384-T1386 VanDerWaalsContact O-N 3.07Å
1385	H	46.9	Very low	50.2	Low	107.6 Å²	107.6	96.6 Å²	96.6	50%	0.498	53%	0.527	S	S	.	.			trans	-75.7	93.3	165.5	-69.2	-75.9	0	0	0	110.5	E618 P1383 C1387	E618-H1385 IonicContact OE2-CD2 2.96Å; E618-H1385 IonicContact OE2-NE2 3.95Å; P1383-H1385 VanDerWaalsContact C-N 3.28Å; P1383-H1385 PolarHBondContact O-CD2 3.05Å; P1383-H1385 PolarHBondContact O-N 2.96Å; H1385-C1387 VanDerWaalsContact C-N 3.28Å; H1385-C1387 PolarHBondContact O-N 3.21Å
1386	T	33	Very low	49.2	Very low	136.2 Å²	136.2	96.6 Å²	96.6	84%	0.836	54%	0.535	S	S	*	.			trans	-75.7	65.6	180	54.4	0	0	0	0	113.7	N1384 Q1388	N1384-T1386 PolarHBondContact O-N 2.98Å; N1384-T1386 VanDerWaalsContact O-N 3.07Å; T1386-Q1388 PolarHBondContact O-N 3.11Å
1387	C	31.8	Very low	47.7	Very low	100.2 Å²	100.2	100.6 Å²	100.6	68%	0.677	55%	0.551	S	S	*	*			trans	-110.1	120.8	155.8	-166.7	0	0	0	0	108.6	S621 H1385 T1389	S621-C1387 PolarHBondContact OG-SG 2.99Å; H1385-C1387 VanDerWaalsContact C-N 3.28Å; H1385-C1387 PolarHBondContact O-N 3.21Å; C1387-T1389 PolarHBondContact O-N 3.06Å
1388	Q	31.5	Very low	46.3	Very low	172.2 Å²	172.2	101.9 Å²	101.9	81%	0.805	57%	0.567	S	S	*	*			trans	-68.8	131	177.7	-72.6	176.5	-16.1	0	0	109.9	T1386 V1390	T1386-Q1388 PolarHBondContact O-N 3.11Å; Q1388-V1390 PolarHBondContact O-N 3.14Å
1389	T	30.6	Very low	45.5	Very low	123.8 Å²	123.8	102.5 Å²	102.5	76%	0.76	57%	0.566	S	S	*	*			trans	-32	103.4	165.5	49.6	0	0	0	0	113.1	C1387 D1391	C1387-T1389 PolarHBondContact O-N 3.06Å; T1389-D1391 VanDerWaalsContact C-N 3.29Å; T1389-D1391 WeakPolarHBondContact CB-OD1 3.34Å; T1389-D1391 WeakPolarHBondContact CB-OD2 3.49Å; T1389-D1391 PolarHBondContact O-N 3.26Å; T1389-D1391 VanDerWaalsContact O-N 3.13Å; T1389-D1391 PolarHBondContact OG1-OD2 3.01Å
1390	V	33.7	Very low	44.7	Very low	122.2 Å²	122.2	102.4 Å²	102.4	74%	0.741	56%	0.561	S	S	*	*			trans	-113.6	114.6	157	-172.4	0	0	0	0	107.4	Q1388 S1392	Q1388-V1390 PolarHBondContact O-N 3.14Å; V1390-S1392 PolarHBondContact O-N 2.94Å
1391	D	30.9	Very low	43.8	Very low	160.6 Å²	160.6	106.7 Å²	106.7	86%	0.859	58%	0.575	S	S	*	*			trans	-69.4	87.4	-178.8	-65.9	-57.5	0	0	0	111.9	T1389	T1389-D1391 VanDerWaalsContact C-N 3.29Å; T1389-D1391 WeakPolarHBondContact CB-OD1 3.34Å; T1389-D1391 WeakPolarHBondContact CB-OD2 3.49Å; T1389-D1391 PolarHBondContact O-N 3.26Å; T1389-D1391 VanDerWaalsContact O-N 3.13Å; T1389-D1391 PolarHBondContact OG1-OD2 3.01Å
1392	S	33.3	Very low	43.1	Very low	52.2 Å²	52.2	104.4 Å²	104.4	37%	0.365	56%	0.564	S	S	.	*			trans	-140	96.4	167.5	78.2	0	0	0	0	111.1	V1390 T1394 D1395	V1390-S1392 PolarHBondContact O-N 2.94Å; S1392-T1394 PolarHBondContact O-N 3.07Å; S1392-T1394 VanDerWaalsContact O-N 3.15Å; S1392-T1394 PolarHBondContact OG-OG1 3.3Å; S1392-D1395 WeakPolarHBondContact CB-OD2 3.49Å; S1392-D1395 PolarHBondContact O-N 2.73Å; S1392-D1395 VanDerWaalsContact O-N 3.08Å; S1392-D1395 PolarHBondContact OG-OD2 3.27Å
1393	V	39.7	Very low	42.4	Very low	133.4 Å²	133.4	109.5 Å²	109.5	81%	0.808	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-5.3	177.8	177.1	0	0	0	0	112.3	D1395	V1393-D1395 VanDerWaalsContact C-N 3.33Å; V1393-D1395 PolarHBondContact O-N 2.98Å
1394	T	39	Very low	42	Very low	109.8 Å²	109.8	113.4 Å²	113.4	67%	0.674	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-20.7	-177.4	41.9	0	0	0	0	115	S1392 L1396 Q1397	S1392-T1394 PolarHBondContact O-N 3.07Å; S1392-T1394 VanDerWaalsContact O-N 3.15Å; S1392-T1394 PolarHBondContact OG-OG1 3.3Å; T1394-L1396 VanDerWaalsContact C-N 3.27Å; T1394-L1396 PolarHBondContact O-N 3.49Å; T1394-Q1397 PolarHBondContact O-N 2.89Å
1395	D	40.9	Very low	41.9	Very low	104.8 Å²	104.8	110.5 Å²	110.5	56%	0.56	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-91.4	-5.5	-174.6	-90.4	-15.5	0	0	0	114.8	S1392 V1393 Q1397 S1398 D1399	S1392-D1395 WeakPolarHBondContact CB-OD2 3.49Å; S1392-D1395 PolarHBondContact O-N 2.73Å; S1392-D1395 VanDerWaalsContact O-N 3.08Å; S1392-D1395 PolarHBondContact OG-OD2 3.27Å; V1393-D1395 VanDerWaalsContact C-N 3.33Å; V1393-D1395 PolarHBondContact O-N 2.98Å; D1395-Q1397 VanDerWaalsContact C-N 3.25Å; D1395-Q1397 PolarHBondContact O-N 3.22Å; D1395-Q1397 VanDerWaalsContact O-N 3.13Å; D1395-S1398 PolarHBondContact O-N 3.02Å; D1395-S1398 PolarHBondContact O-OG 3.28Å; D1395-S1398 PolarHBondContact OD1-OG 2.9Å; D1395-S1398 VanDerWaalsContact OD1-OG 3.13Å; D1395-D1399 PolarHBondContact O-N 3.07Å
1396	L	44.3	Very low	41.9	Very low	114.4 Å²	114.4	109 Å²	109	60%	0.599	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-66.8	-21	177.1	-92.7	76.9	0	0	0	113.4	T1394 S1398 D1399 Y1402	T1394-L1396 VanDerWaalsContact C-N 3.27Å; T1394-L1396 PolarHBondContact O-N 3.49Å; L1396-S1398 VanDerWaalsContact C-N 3.29Å; L1396-S1398 PolarHBondContact O-N 3.08Å; L1396-S1398 VanDerWaalsContact O-N 3.15Å; L1396-D1399 PolarHBondContact O-N 3.05Å; L1396-Y1402 HydrophobicContact CD2-CE1 4.17Å; L1396-Y1402 HydrophobicContact CD2-CE2 4.4Å; L1396-Y1402 HydrophobicContact CG-CE2 4.36Å
1397	Q	40.9	Very low	42.4	Very low	169.8 Å²	169.8	107.5 Å²	107.5	79%	0.793	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-77.4	-7.6	-178.4	-109.1	179.1	-8.8	0	0	113.9	T1394 D1395 D1399 W1403	T1394-Q1397 PolarHBondContact O-N 2.89Å; D1395-Q1397 VanDerWaalsContact C-N 3.25Å; D1395-Q1397 PolarHBondContact O-N 3.22Å; D1395-Q1397 VanDerWaalsContact O-N 3.13Å; Q1397-D1399 VanDerWaalsContact C-N 3.35Å; Q1397-W1403 PolarHBondContact O-NE1 2.83Å
1398	S	44.4	Very low	43.1	Very low	71 Å²	71	106.8 Å²	106.8	50%	0.497	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-99.5	-10.4	178.5	34.1	0	0	0	0	113.7	D1395 L1396 H1400	D1395-S1398 PolarHBondContact O-N 3.02Å; D1395-S1398 PolarHBondContact O-OG 3.28Å; D1395-S1398 PolarHBondContact OD1-OG 2.9Å; D1395-S1398 VanDerWaalsContact OD1-OG 3.13Å; L1396-S1398 VanDerWaalsContact C-N 3.29Å; L1396-S1398 PolarHBondContact O-N 3.08Å; L1396-S1398 VanDerWaalsContact O-N 3.15Å; S1398-H1400 PolarHBondContact O-CD2 2.82Å; S1398-H1400 VanDerWaalsContact O-CD2 3.25Å; S1398-H1400 PolarHBondContact O-CE1 3.32Å; S1398-H1400 PolarHBondContact O-N 2.95Å; S1398-H1400 VanDerWaalsContact O-N 3.08Å; S1398-H1400 PolarHBondContact O-ND1 3.47Å
1399	D	49	Very low	43.7	Very low	36.6 Å²	36.6	100.9 Å²	100.9	20%	0.196	54%	0.544	C	S	.	.			trans	-78.4	101.9	-174.7	-167.8	-9.5	0	0	0	112.2	K1381 D1395 L1396 Q1397 R1401 Y1402	K1381-D1399 IonicContact NZ-OD2 3.59Å; K1381-D1399 PolarHBondContact NZ-OD2 2.77Å; D1395-D1399 PolarHBondContact O-N 3.07Å; L1396-D1399 PolarHBondContact O-N 3.05Å; Q1397-D1399 VanDerWaalsContact C-N 3.35Å; D1399-R1401 VanDerWaalsContact CG-NE 3.34Å; D1399-R1401 VanDerWaalsContact CG-NH2 3.31Å; D1399-R1401 PolarHBondContact O-N 3.13Å; D1399-R1401 VanDerWaalsContact OD1-CB 3.23Å; D1399-R1401 WeakPolarHBondContact OD1-CB 3.29Å; D1399-R1401 VanDerWaalsContact OD1-CG 3.3Å; D1399-R1401 WeakPolarHBondContact OD1-CG 3.32Å; D1399-R1401 IonicContact OD1-CZ 3.18Å; D1399-R1401 PolarHBondContact OD1-N 3.21Å; D1399-R1401 VanDerWaalsContact OD1-N 3.11Å; D1399-R1401 IonicContact OD1-NE 3.42Å; D1399-R1401 PolarHBondContact OD1-NE 3.06Å; D1399-R1401 IonicContact OD1-NH2 3.26Å; D1399-R1401 PolarHBondContact OD1-NH2 3.1Å; D1399-R1401 IonicContact OD2-CZ 2.92Å; D1399-R1401 IonicContact OD2-NE 3.22Å; D1399-R1401 PolarHBondContact OD2-NE 2.93Å; D1399-R1401 IonicContact OD2-NH1 3.94Å; D1399-R1401 IonicContact OD2-NH2 3.13Å; D1399-R1401 PolarHBondContact OD2-NH2 3.17Å; D1399-Y1402 HydrophobicContact CB-CD2 3.88Å; D1399-Y1402 HydrophobicContact CB-CE2 3.91Å; D1399-Y1402 VanDerWaalsContact O-CD2 3.27Å; D1399-Y1402 WeakPolarHBondContact O-CD2 3.34Å; D1399-Y1402 PolarHBondContact O-N 3.18Å; D1399-Y1402 WeakPolarHBondContact OD2-CE2 3.36Å; D1399-Y1402 PolarHBondContact OD2-OH 3.13Å
1400	H	53	Low	44.5	Very low	78.4 Å²	78.4	98.3 Å²	98.3	36%	0.363	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-56.4	-16.1	-178.7	-18.1	-66.5	0	0	0	114.6	E620 V622 L717 S1398 Y1402 W1403 F1404	E620-H1400 PolarHBondContact O-CE1 3.49Å; V622-H1400 HydrophobicContact CG2-CB 4.44Å; L717-H1400 VanDerWaalsContact CD2-NE2 3.34Å; L717-H1400 WeakPolarHBondContact CD2-NE2 3.17Å; S1398-H1400 PolarHBondContact O-CD2 2.82Å; S1398-H1400 VanDerWaalsContact O-CD2 3.25Å; S1398-H1400 PolarHBondContact O-CE1 3.32Å; S1398-H1400 PolarHBondContact O-N 2.95Å; S1398-H1400 VanDerWaalsContact O-N 3.08Å; S1398-H1400 PolarHBondContact O-ND1 3.47Å; H1400-Y1402 PolarHBondContact O-N 2.9Å; H1400-Y1402 VanDerWaalsContact O-N 3.11Å; H1400-W1403 WeakPolarHBondContact O-CB 3.23Å; H1400-W1403 VanDerWaalsContact O-CD1 3.25Å; H1400-W1403 PolarHBondContact O-N 2.98Å; H1400-F1404 HydrophobicContact CB-CE2 4.28Å; H1400-F1404 WeakPolarHBondContact O-CD2 3.39Å; H1400-F1404 WeakPolarHBondContact O-CE2 3.2Å
1401	R	51.2	Low	45.1	Very low	105.4 Å²	105.4	96.2 Å²	96.2	40%	0.398	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-60	-24.1	175.6	-67	-178.1	-72.4	176.7	-2.8	113.4	D619 E620 K1381 D1399 W1403 F1404	D619-R1401 HydrophobicContact CB-CB 3.78Å; D619-R1401 HydrophobicContact CB-CG 3.74Å; D619-R1401 VanDerWaalsContact O-CD 3.26Å; D619-R1401 WeakPolarHBondContact O-CD 3.28Å; E620-R1401 VanDerWaalsContact O-CD 3.26Å; E620-R1401 WeakPolarHBondContact O-CD 3.48Å; E620-R1401 WeakPolarHBondContact O-CG 3.35Å; K1381-R1401 VanDerWaalsContact CE-CZ 3.42Å; K1381-R1401 VanDerWaalsContact NZ-NH2 3.15Å; D1399-R1401 VanDerWaalsContact CG-NE 3.34Å; D1399-R1401 VanDerWaalsContact CG-NH2 3.31Å; D1399-R1401 PolarHBondContact O-N 3.13Å; D1399-R1401 VanDerWaalsContact OD1-CB 3.23Å; D1399-R1401 WeakPolarHBondContact OD1-CB 3.29Å; D1399-R1401 VanDerWaalsContact OD1-CG 3.3Å; D1399-R1401 WeakPolarHBondContact OD1-CG 3.32Å; D1399-R1401 IonicContact OD1-CZ 3.18Å; D1399-R1401 PolarHBondContact OD1-N 3.21Å; D1399-R1401 VanDerWaalsContact OD1-N 3.11Å; D1399-R1401 IonicContact OD1-NE 3.42Å; D1399-R1401 PolarHBondContact OD1-NE 3.06Å; D1399-R1401 IonicContact OD1-NH2 3.26Å; D1399-R1401 PolarHBondContact OD1-NH2 3.1Å; D1399-R1401 IonicContact OD2-CZ 2.92Å; D1399-R1401 IonicContact OD2-NE 3.22Å; D1399-R1401 PolarHBondContact OD2-NE 2.93Å; D1399-R1401 IonicContact OD2-NH1 3.94Å; D1399-R1401 IonicContact OD2-NH2 3.13Å; D1399-R1401 PolarHBondContact OD2-NH2 3.17Å; R1401-W1403 VanDerWaalsContact C-N 3.31Å; R1401-F1404 WeakPolarHBondContact O-CE1 3.27Å
1402	Y	52.2	Low	45.8	Very low	75.6 Å²	75.6	90.6 Å²	90.6	30%	0.296	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-99.6	-1.8	-177.8	-57.5	-74.8	0	0	0	114	D619 R958 A1378 T1379 L1396 D1399 H1400 F1404 L1405 S1406	D619-Y1402 HydrophobicContact CB-CE1 4.37Å; R958-Y1402 VanDerWaalsContact CZ-OH 3.29Å; R958-Y1402 PolarHBondContact NE-OH 3.5Å; A1378-Y1402 HydrophobicContact CB-CD1 4.1Å; A1378-Y1402 HydrophobicContact CB-CD2 4.08Å; A1378-Y1402 HydrophobicContact CB-CG 3.73Å; A1378-Y1402 WeakPolarHBondContact O-CD2 3.48Å; A1378-Y1402 WeakPolarHBondContact O-CE2 3.32Å; T1379-Y1402 HydrophobicContact CG2-CE1 3.65Å; L1396-Y1402 HydrophobicContact CD2-CE1 4.17Å; L1396-Y1402 HydrophobicContact CD2-CE2 4.4Å; L1396-Y1402 HydrophobicContact CG-CE2 4.36Å; D1399-Y1402 HydrophobicContact CB-CD2 3.88Å; D1399-Y1402 HydrophobicContact CB-CE2 3.91Å; D1399-Y1402 VanDerWaalsContact O-CD2 3.27Å; D1399-Y1402 WeakPolarHBondContact O-CD2 3.34Å; D1399-Y1402 PolarHBondContact O-N 3.18Å; D1399-Y1402 WeakPolarHBondContact OD2-CE2 3.36Å; D1399-Y1402 PolarHBondContact OD2-OH 3.13Å; H1400-Y1402 PolarHBondContact O-N 2.9Å; H1400-Y1402 VanDerWaalsContact O-N 3.11Å; Y1402-F1404 VanDerWaalsContact C-N 3.34Å; Y1402-F1404 HydrophobicContact CD1-CZ 4.49Å; Y1402-F1404 PolarHBondContact O-N 3.16Å; Y1402-F1404 VanDerWaalsContact O-N 3.15Å; Y1402-L1405 HydrophobicContact CD1-CD1 3.9Å; Y1402-L1405 PolarHBondContact O-N 3.19Å; Y1402-S1406 WeakPolarHBondContact CB-OG 3.38Å; Y1402-S1406 VanDerWaalsContact CD1-CB 3.4Å; Y1402-S1406 WeakPolarHBondContact CD1-OG 3.33Å; Y1402-S1406 PolarHBondContact O-N 3.15Å; Y1402-S1406 PolarHBondContact O-OG 3.5Å
1403	W	52.1	Low	46.6	Very low	163 Å²	163	92.3 Å²	92.3	62%	0.617	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-21	-171.9	-85.2	21.5	0	0	0	114	Q1397 H1400 R1401 L1405 S1406	Q1397-W1403 PolarHBondContact O-NE1 2.83Å; H1400-W1403 WeakPolarHBondContact O-CB 3.23Å; H1400-W1403 VanDerWaalsContact O-CD1 3.25Å; H1400-W1403 PolarHBondContact O-N 2.98Å; R1401-W1403 VanDerWaalsContact C-N 3.31Å; W1403-L1405 VanDerWaalsContact C-N 3.3Å; W1403-L1405 PolarHBondContact O-N 3.14Å; W1403-S1406 VanDerWaalsContact O-CB 3.24Å; W1403-S1406 WeakPolarHBondContact O-CB 3.3Å; W1403-S1406 PolarHBondContact O-N 3.14Å; W1403-S1406 PolarHBondContact O-OG 2.86Å
1404	F	52	Low	47.3	Very low	120.8 Å²	120.8	90.3 Å²	90.3	53%	0.53	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-5.1	179.5	-56.5	-82.2	0	0	0	114.4	A962 A965 L1370 H1400 R1401 Y1402 S1406	A962-F1404 HydrophobicContact CB-CE2 3.68Å; A962-F1404 HydrophobicContact CB-CZ 3.77Å; A965-F1404 HydrophobicContact CB-CD2 4.16Å; L1370-F1404 HydrophobicContact CD1-CD2 3.94Å; L1370-F1404 HydrophobicContact CD1-CE1 4.39Å; L1370-F1404 HydrophobicContact CD1-CE2 3.47Å; L1370-F1404 VanDerWaalsContact CD1-CE2 3.47Å; L1370-F1404 HydrophobicContact CD1-CZ 3.74Å; H1400-F1404 HydrophobicContact CB-CE2 4.28Å; H1400-F1404 WeakPolarHBondContact O-CD2 3.39Å; H1400-F1404 WeakPolarHBondContact O-CE2 3.2Å; R1401-F1404 WeakPolarHBondContact O-CE1 3.27Å; Y1402-F1404 VanDerWaalsContact C-N 3.34Å; Y1402-F1404 HydrophobicContact CD1-CZ 4.49Å; Y1402-F1404 PolarHBondContact O-N 3.16Å; Y1402-F1404 VanDerWaalsContact O-N 3.15Å; F1404-S1406 VanDerWaalsContact C-N 3.34Å; F1404-S1406 PolarHBondContact O-N 2.89Å; F1404-S1406 VanDerWaalsContact O-N 3.13Å
1405	L	50.5	Low	47.7	Very low	63.2 Å²	63.2	89.6 Å²	89.6	33%	0.331	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	9.3	179.3	-65.1	174.8	0	0	0	113	A965 R1374 R1375 A1378 Y1402 W1403 D1407	A965-L1405 HydrophobicContact CB-CD2 4Å; R1374-L1405 HydrophobicContact CB-CD2 4.36Å; R1375-L1405 HydrophobicContact CG-CB 4.48Å; R1375-L1405 WeakPolarHBondContact CG-O 3.14Å; R1375-L1405 PolarHBondContact NE-O 3Å; R1375-L1405 PolarHBondContact NH2-O 2.9Å; A1378-L1405 HydrophobicContact CB-CD1 3.55Å; Y1402-L1405 HydrophobicContact CD1-CD1 3.9Å; Y1402-L1405 PolarHBondContact O-N 3.19Å; W1403-L1405 VanDerWaalsContact C-N 3.3Å; W1403-L1405 PolarHBondContact O-N 3.14Å; L1405-D1407 PolarHBondContact O-N 3.3Å
1406	S	45.2	Very low	48.2	Very low	74.4 Å²	74.4	89.8 Å²	89.8	52%	0.52	48%	0.483	S	S	.	.	S	Bend	trans	-82.3	107.6	173.8	-43.7	0	0	0	0	112.2	K1381 Y1402 W1403 F1404 P1408	K1381-S1406 VanDerWaalsContact CE-O 3.24Å; K1381-S1406 WeakPolarHBondContact CE-O 3.46Å; Y1402-S1406 WeakPolarHBondContact CB-OG 3.38Å; Y1402-S1406 VanDerWaalsContact CD1-CB 3.4Å; Y1402-S1406 WeakPolarHBondContact CD1-OG 3.33Å; Y1402-S1406 PolarHBondContact O-N 3.15Å; Y1402-S1406 PolarHBondContact O-OG 3.5Å; W1403-S1406 VanDerWaalsContact O-CB 3.24Å; W1403-S1406 WeakPolarHBondContact O-CB 3.3Å; W1403-S1406 PolarHBondContact O-N 3.14Å; W1403-S1406 PolarHBondContact O-OG 2.86Å; F1404-S1406 VanDerWaalsContact C-N 3.34Å; F1404-S1406 PolarHBondContact O-N 2.89Å; F1404-S1406 VanDerWaalsContact O-N 3.13Å; S1406-P1408 WeakPolarHBondContact O-CD 3.37Å
1407	D	45.2	Very low	48.8	Very low	106.4 Å²	106.4	89.6 Å²	89.6	57%	0.569	48%	0.479	S	S	*	.	S	Bend	trans	-51.7	127.6	176.8	-82.5	-25.4	0	0	0	112.6	R1374 R1375 L1405 A1409 L1445	R1374-D1407 IonicContact CZ-OD2 3.59Å; R1374-D1407 IonicContact NE-OD2 2.79Å; R1374-D1407 IonicContact NH2-OD1 3.15Å; R1374-D1407 IonicContact NH2-OD2 3.84Å; R1374-D1407 PolarHBondContact NH2-OD2 3.35Å; R1375-D1407 IonicContact CZ-OD1 3.49Å; R1375-D1407 IonicContact CZ-OD2 3.46Å; R1375-D1407 IonicContact NH1-OD1 3.33Å; R1375-D1407 PolarHBondContact NH1-OD1 3.3Å; R1375-D1407 IonicContact NH1-OD2 3.42Å; R1375-D1407 PolarHBondContact NH1-OD2 3.37Å; R1375-D1407 VanDerWaalsContact NH2-CA 3.33Å; R1375-D1407 VanDerWaalsContact NH2-CG 3.33Å; R1375-D1407 VanDerWaalsContact NH2-N 3.19Å; R1375-D1407 IonicContact NH2-OD1 2.8Å; R1375-D1407 PolarHBondContact NH2-OD1 3.1Å; R1375-D1407 IonicContact NH2-OD2 3.99Å; R1375-D1407 PolarHBondContact NH2-OD2 3.5Å; L1405-D1407 PolarHBondContact O-N 3.3Å; D1407-A1409 PolarHBondContact O-N 3.1Å; D1407-L1445 HydrophobicContact CB-CD2 4.39Å; D1407-L1445 VanDerWaalsContact OD1-C 3.27Å; D1407-L1445 VanDerWaalsContact OD1-CA 3.23Å; D1407-L1445 WeakPolarHBondContact OD1-CA 3.42Å; D1407-L1445 VanDerWaalsContact OD1-CD2 3.24Å; D1407-L1445 WeakPolarHBondContact OD1-CD2 3.47Å
1408	P	45.5	Very low	49.7	Very low	85.8 Å²	85.8	85.5 Å²	85.5	56%	0.557	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-61	125.5	166.9	26.6	-31	0	0	0	108	R1374 S1406 P1410	R1374-P1408 PolarHBondContact NH1-O 2.84Å; S1406-P1408 WeakPolarHBondContact O-CD 3.37Å; P1408-P1410 WeakPolarHBondContact O-CD 3.32Å; P1408-P1410 VanDerWaalsContact O-N 3.12Å
1409	A	44.7	Very low	50.6	Low	48.2 Å²	48.2	85.9 Å²	85.9	40%	0.398	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-56.2	129.4	176.8	0	0	0	0	0	109	D1407 L1411 T1413 I1414	D1407-A1409 PolarHBondContact O-N 3.1Å; A1409-L1411 PolarHBondContact O-N 3.02Å; A1409-T1413 VanDerWaalsContact CB-OG1 3.3Å; A1409-T1413 WeakPolarHBondContact CB-OG1 3.33Å; A1409-I1414 HydrophobicContact CB-CD1 4.23Å; A1409-I1414 HydrophobicContact CB-CG1 4.06Å
1410	P	47.4	Very low	51.3	Low	68.4 Å²	68.4	85.8 Å²	85.8	44%	0.444	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-50.8	139.6	-179.7	-16	19.4	0	0	0	109.5	P1408 A1412 T1413	P1408-P1410 WeakPolarHBondContact O-CD 3.32Å; P1408-P1410 VanDerWaalsContact O-N 3.12Å; P1410-A1412 HydrophobicContact CB-CB 4.44Å; P1410-A1412 PolarHBondContact O-N 3.15Å; P1410-A1412 VanDerWaalsContact O-N 3.09Å; P1410-T1413 HydrophobicContact CB-CG2 4.4Å; P1410-T1413 WeakPolarHBondContact CD-OG1 3.38Å; P1410-T1413 HydrophobicContact CG-CG2 4.29Å; P1410-T1413 WeakPolarHBondContact O-CB 3.29Å; P1410-T1413 PolarHBondContact O-N 2.93Å; P1410-T1413 PolarHBondContact O-OG1 3.12Å
1411	L	45.7	Very low	51.7	Low	78.8 Å²	78.8	82.8 Å²	82.8	41%	0.413	46%	0.457	S	S	.	.	H	α-helix	trans	-52.5	-32	-173.4	-76.2	165	0	0	0	112.4	R1375 A1409 T1413 I1414 Y1415 A1424 A1425	R1375-L1411 HydrophobicContact CG-CD2 4.23Å; A1409-L1411 PolarHBondContact O-N 3.02Å; L1411-T1413 PolarHBondContact O-N 3.2Å; L1411-T1413 VanDerWaalsContact O-N 3.11Å; L1411-I1414 HydrophobicContact CD2-CD1 4.31Å; L1411-I1414 PolarHBondContact O-N 3.11Å; L1411-I1414 VanDerWaalsContact O-N 3.1Å; L1411-Y1415 HydrophobicContact CD2-CE2 4.43Å; L1411-Y1415 VanDerWaalsContact O-CD2 3.28Å; L1411-Y1415 WeakPolarHBondContact O-CD2 3.38Å; L1411-Y1415 WeakPolarHBondContact O-CE2 3.17Å; L1411-Y1415 PolarHBondContact O-N 2.84Å; L1411-Y1415 VanDerWaalsContact O-N 3.14Å; L1411-A1424 HydrophobicContact CB-CB 4.05Å; L1411-A1424 HydrophobicContact CD1-CB 4.25Å; L1411-A1425 HydrophobicContact CD1-CB 3.87Å
1412	A	46	Very low	52.3	Low	41.8 Å²	41.8	83.9 Å²	83.9	35%	0.345	46%	0.461	S	S	.	.	H	α-helix	trans	-57.5	-22.8	172.3	0	0	0	0	0	115.7	P1410 A1421 A1424 A1425	P1410-A1412 HydrophobicContact CB-CB 4.44Å; P1410-A1412 PolarHBondContact O-N 3.15Å; P1410-A1412 VanDerWaalsContact O-N 3.09Å; A1412-A1421 HydrophobicContact CB-CB 4.09Å; A1412-A1421 WeakPolarHBondContact CB-O 3.4Å; A1412-A1421 WeakPolarHBondContact O-CA 3.38Å; A1412-A1421 VanDerWaalsContact O-CB 3.22Å; A1412-A1421 WeakPolarHBondContact O-CB 3.42Å; A1412-A1424 HydrophobicContact CB-CB 4.34Å; A1412-A1425 HydrophobicContact CB-CB 4.2Å
1413	T	50.7	Low	52.9	Low	89 Å²	89	82.4 Å²	82.4	55%	0.546	46%	0.464	S	S	.	.	H	α-helix	trans	-92.6	-12.6	178.8	62.9	0	0	0	0	113.9	A1409 P1410 L1411 Y1415	A1409-T1413 VanDerWaalsContact CB-OG1 3.3Å; A1409-T1413 WeakPolarHBondContact CB-OG1 3.33Å; P1410-T1413 HydrophobicContact CB-CG2 4.4Å; P1410-T1413 WeakPolarHBondContact CD-OG1 3.38Å; P1410-T1413 HydrophobicContact CG-CG2 4.29Å; P1410-T1413 WeakPolarHBondContact O-CB 3.29Å; P1410-T1413 PolarHBondContact O-N 2.93Å; P1410-T1413 PolarHBondContact O-OG1 3.12Å; L1411-T1413 PolarHBondContact O-N 3.2Å; L1411-T1413 VanDerWaalsContact O-N 3.11Å; T1413-Y1415 VanDerWaalsContact C-N 3.31Å
1414	I	52.7	Low	53.2	Low	89.8 Å²	89.8	75.4 Å²	75.4	46%	0.461	44%	0.441	S	S	.	.	H	α-helix	trans	-82.3	-29.1	175.2	-54.5	179.1	0	0	0	110.4	A1378 A1409 L1411 A1416	A1378-I1414 HydrophobicContact CB-CD1 4.28Å; A1409-I1414 HydrophobicContact CB-CD1 4.23Å; A1409-I1414 HydrophobicContact CB-CG1 4.06Å; L1411-I1414 HydrophobicContact CD2-CD1 4.31Å; L1411-I1414 PolarHBondContact O-N 3.11Å; L1411-I1414 VanDerWaalsContact O-N 3.1Å; I1414-A1416 PolarHBondContact O-N 2.99Å
1415	Y	49	Very low	53.6	Low	97 Å²	97	71.8 Å²	71.8	38%	0.38	43%	0.433	S	S	.	.			trans	-88.2	111.1	175.5	-64	-76.1	0	0	0	111.2	L1411 T1413 H1417 A1420 A1421 A1424	L1411-Y1415 HydrophobicContact CD2-CE2 4.43Å; L1411-Y1415 VanDerWaalsContact O-CD2 3.28Å; L1411-Y1415 WeakPolarHBondContact O-CD2 3.38Å; L1411-Y1415 WeakPolarHBondContact O-CE2 3.17Å; L1411-Y1415 PolarHBondContact O-N 2.84Å; L1411-Y1415 VanDerWaalsContact O-N 3.14Å; T1413-Y1415 VanDerWaalsContact C-N 3.31Å; Y1415-H1417 PolarHBondContact O-N 3.08Å; Y1415-H1417 VanDerWaalsContact O-N 3.11Å; Y1415-A1420 HydrophobicContact CD1-CB 3.83Å; Y1415-A1420 HydrophobicContact CE1-CB 4.45Å; Y1415-A1420 HydrophobicContact CG-CB 3.96Å; Y1415-A1421 HydrophobicContact CD2-CB 4.44Å; Y1415-A1424 HydrophobicContact CD2-CB 4Å; Y1415-A1424 HydrophobicContact CE2-CB 3.67Å; Y1415-A1424 VanDerWaalsContact CE2-CB 3.44Å
1416	A	51.6	Low	54.1	Low	108.8 Å²	108.8	73.9 Å²	73.9	90%	0.899	44%	0.442	S	S	*	.	S	Bend	trans	-64.2	-10.7	173.8	0	0	0	0	0	114.1	I1414	I1414-A1416 PolarHBondContact O-N 2.99Å
1417	H	55.5	Low	54.7	Low	109.2 Å²	109.2	76.3 Å²	76.3	51%	0.506	45%	0.448	S	S	.	.	S	Bend	trans	-106.1	124.5	178.5	-161.4	-93.4	0	0	0	110.9	Y1415 D1419 A1420 A1421	Y1415-H1417 PolarHBondContact O-N 3.08Å; Y1415-H1417 VanDerWaalsContact O-N 3.11Å; H1417-D1419 VanDerWaalsContact C-N 3.28Å; H1417-D1419 IonicContact CE1-OD2 2.96Å; H1417-D1419 PolarHBondContact CE1-OD2 3.19Å; H1417-D1419 VanDerWaalsContact CE1-OD2 3.32Å; H1417-D1419 PolarHBondContact ND1-N 3.03Å; H1417-D1419 IonicContact ND1-OD2 3.32Å; H1417-D1419 PolarHBondContact O-N 3.06Å; H1417-D1419 VanDerWaalsContact O-N 3.16Å; H1417-A1420 HydrophobicContact CB-CB 4.21Å; H1417-A1420 PolarHBondContact O-N 3.04Å; H1417-A1420 VanDerWaalsContact O-N 3.09Å; H1417-A1421 PolarHBondContact O-N 3.12Å
1418	P	61	Low	55	Low	84 Å²	84	76 Å²	76	55%	0.545	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-28.9	-172	24.7	-34.4	0	0	0	113.6	A1421 R1422	P1418-A1421 WeakPolarHBondContact O-CB 3.45Å; P1418-A1421 PolarHBondContact O-N 2.91Å; P1418-R1422 WeakPolarHBondContact O-CB 3.27Å; P1418-R1422 PolarHBondContact O-N 2.86Å
1419	D	63.1	Low	55.4	Low	79.6 Å²	79.6	76 Å²	76	43%	0.426	45%	0.45	S	S	.	.	H	α-helix	trans	-77.4	-28.2	177	-55.9	-42.3	0	0	0	112.6	H1417 R1422 A1423	H1417-D1419 VanDerWaalsContact C-N 3.28Å; H1417-D1419 IonicContact CE1-OD2 2.96Å; H1417-D1419 PolarHBondContact CE1-OD2 3.19Å; H1417-D1419 VanDerWaalsContact CE1-OD2 3.32Å; H1417-D1419 PolarHBondContact ND1-N 3.03Å; H1417-D1419 IonicContact ND1-OD2 3.32Å; H1417-D1419 PolarHBondContact O-N 3.06Å; H1417-D1419 VanDerWaalsContact O-N 3.16Å; D1419-R1422 PolarHBondContact O-N 3.07Å; D1419-R1422 IonicContact OD1-CZ 2.99Å; D1419-R1422 VanDerWaalsContact OD1-CZ 3.25Å; D1419-R1422 IonicContact OD1-NH1 3.38Å; D1419-R1422 PolarHBondContact OD1-NH1 3.03Å; D1419-R1422 IonicContact OD1-NH2 3.02Å; D1419-R1422 PolarHBondContact OD1-NH2 3Å; D1419-A1423 VanDerWaalsContact O-CB 3.3Å; D1419-A1423 WeakPolarHBondContact O-CB 3.4Å; D1419-A1423 PolarHBondContact O-N 3.1Å
1420	A	62.4	Low	55.6	Low	33.8 Å²	33.8	79.8 Å²	79.8	28%	0.279	46%	0.463	S	S	.	.	H	α-helix	trans	-75	-36.6	172.6	0	0	0	0	0	110.9	Y1415 H1417 R1422 A1423 A1424	Y1415-A1420 HydrophobicContact CD1-CB 3.83Å; Y1415-A1420 HydrophobicContact CE1-CB 4.45Å; Y1415-A1420 HydrophobicContact CG-CB 3.96Å; H1417-A1420 HydrophobicContact CB-CB 4.21Å; H1417-A1420 PolarHBondContact O-N 3.04Å; H1417-A1420 VanDerWaalsContact O-N 3.09Å; A1420-R1422 VanDerWaalsContact C-N 3.34Å; A1420-R1422 PolarHBondContact O-N 3.34Å; A1420-A1423 PolarHBondContact O-N 3.1Å; A1420-A1424 VanDerWaalsContact O-CB 3.27Å; A1420-A1424 WeakPolarHBondContact O-CB 3.34Å; A1420-A1424 PolarHBondContact O-N 3Å
1421	A	62.3	Low	55	Low	15.6 Å²	15.6	80.6 Å²	80.6	13%	0.129	47%	0.47	C	S	.	.	H	α-helix	trans	-60.8	-42.2	168.6	0	0	0	0	0	112.1	A1412 Y1415 H1417 P1418 A1424 A1425	A1412-A1421 HydrophobicContact CB-CB 4.09Å; A1412-A1421 WeakPolarHBondContact CB-O 3.4Å; A1412-A1421 WeakPolarHBondContact O-CA 3.38Å; A1412-A1421 VanDerWaalsContact O-CB 3.22Å; A1412-A1421 WeakPolarHBondContact O-CB 3.42Å; Y1415-A1421 HydrophobicContact CD2-CB 4.44Å; H1417-A1421 PolarHBondContact O-N 3.12Å; P1418-A1421 WeakPolarHBondContact O-CB 3.45Å; P1418-A1421 PolarHBondContact O-N 2.91Å; A1421-A1424 PolarHBondContact O-N 3.1Å; A1421-A1425 VanDerWaalsContact O-CB 3.29Å; A1421-A1425 WeakPolarHBondContact O-CB 3.33Å; A1421-A1425 PolarHBondContact O-N 3.1Å
1422	R	63.5	Low	54.4	Low	128.8 Å²	128.8	82.4 Å²	82.4	49%	0.486	49%	0.486	S	S	.	.	H	α-helix	trans	-66.8	-46.3	176.5	-161.2	-174.5	-53.5	105.8	11.6	112	P1418 D1419 A1420 A1424 A1425 E1426	P1418-R1422 WeakPolarHBondContact O-CB 3.27Å; P1418-R1422 PolarHBondContact O-N 2.86Å; D1419-R1422 PolarHBondContact O-N 3.07Å; D1419-R1422 IonicContact OD1-CZ 2.99Å; D1419-R1422 VanDerWaalsContact OD1-CZ 3.25Å; D1419-R1422 IonicContact OD1-NH1 3.38Å; D1419-R1422 PolarHBondContact OD1-NH1 3.03Å; D1419-R1422 IonicContact OD1-NH2 3.02Å; D1419-R1422 PolarHBondContact OD1-NH2 3Å; A1420-R1422 VanDerWaalsContact C-N 3.34Å; A1420-R1422 PolarHBondContact O-N 3.34Å; R1422-A1424 VanDerWaalsContact C-N 3.3Å; R1422-A1424 PolarHBondContact O-N 3.02Å; R1422-A1425 PolarHBondContact O-N 3.16Å; R1422-A1425 VanDerWaalsContact O-N 3.13Å; R1422-E1426 VanDerWaalsContact CD-OE1 3.3Å; R1422-E1426 WeakPolarHBondContact CD-OE1 3.4Å; R1422-E1426 HydrophobicContact CG-CG 4.49Å; R1422-E1426 WeakPolarHBondContact CG-OE1 3.39Å; R1422-E1426 WeakPolarHBondContact O-CB 3.26Å; R1422-E1426 WeakPolarHBondContact O-CG 3.35Å; R1422-E1426 PolarHBondContact O-N 3.19Å
1423	A	65.5	Low	53.9	Low	44.8 Å²	44.8	88.1 Å²	88.1	37%	0.37	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-37.3	176.7	0	0	0	0	0	112.5	D1419 A1420 E1426 L1427	D1419-A1423 VanDerWaalsContact O-CB 3.3Å; D1419-A1423 WeakPolarHBondContact O-CB 3.4Å; D1419-A1423 PolarHBondContact O-N 3.1Å; A1420-A1423 PolarHBondContact O-N 3.1Å; A1423-E1426 PolarHBondContact O-N 2.95Å; A1423-L1427 WeakPolarHBondContact O-CB 3.36Å; A1423-L1427 VanDerWaalsContact O-CG 3.27Å; A1423-L1427 WeakPolarHBondContact O-CG 3.29Å; A1423-L1427 PolarHBondContact O-N 2.93Å; A1423-L1427 VanDerWaalsContact O-N 3.08Å
1424	A	58	Low	53	Low	14.4 Å²	14.4	87.1 Å²	87.1	12%	0.119	52%	0.517	C	S	.	.	H	α-helix	trans	-65.2	-43.6	173.3	0	0	0	0	0	111.9	L1411 A1412 Y1415 A1420 A1421 R1422 E1426 L1427 E1428	L1411-A1424 HydrophobicContact CB-CB 4.05Å; L1411-A1424 HydrophobicContact CD1-CB 4.25Å; A1412-A1424 HydrophobicContact CB-CB 4.34Å; Y1415-A1424 HydrophobicContact CD2-CB 4Å; Y1415-A1424 HydrophobicContact CE2-CB 3.67Å; Y1415-A1424 VanDerWaalsContact CE2-CB 3.44Å; A1420-A1424 VanDerWaalsContact O-CB 3.27Å; A1420-A1424 WeakPolarHBondContact O-CB 3.34Å; A1420-A1424 PolarHBondContact O-N 3Å; A1421-A1424 PolarHBondContact O-N 3.1Å; R1422-A1424 VanDerWaalsContact C-N 3.3Å; R1422-A1424 PolarHBondContact O-N 3.02Å; A1424-E1426 VanDerWaalsContact C-N 3.32Å; A1424-E1426 PolarHBondContact O-N 2.84Å; A1424-L1427 PolarHBondContact O-N 3.02Å; A1424-E1428 VanDerWaalsContact O-CB 3.3Å; A1424-E1428 WeakPolarHBondContact O-CB 3.37Å; A1424-E1428 PolarHBondContact O-N 2.98Å
1425	A	59.9	Low	51.9	Low	45.8 Å²	45.8	92.4 Å²	92.4	38%	0.379	53%	0.533	S	S	.	.	H	α-helix	trans	-66.6	-35.1	175.5	0	0	0	0	0	112.8	L1411 A1412 A1421 R1422 E1428 A1429	L1411-A1425 HydrophobicContact CD1-CB 3.87Å; A1412-A1425 HydrophobicContact CB-CB 4.2Å; A1421-A1425 VanDerWaalsContact O-CB 3.29Å; A1421-A1425 WeakPolarHBondContact O-CB 3.33Å; A1421-A1425 PolarHBondContact O-N 3.1Å; R1422-A1425 PolarHBondContact O-N 3.16Å; R1422-A1425 VanDerWaalsContact O-N 3.13Å; A1425-E1428 PolarHBondContact O-N 2.94Å; A1425-A1429 VanDerWaalsContact O-CB 3.28Å; A1425-A1429 WeakPolarHBondContact O-CB 3.4Å; A1425-A1429 PolarHBondContact O-N 3.08Å
1426	E	60.9	Low	51	Low	108.2 Å²	108.2	98.5 Å²	98.5	51%	0.506	56%	0.556	S	S	.	*	H	α-helix	trans	-66.7	-41.3	173.7	-75.7	169.5	-171.2	0	0	111.3	R1422 A1423 A1424 E1428 A1429 I1430	R1422-E1426 VanDerWaalsContact CD-OE1 3.3Å; R1422-E1426 WeakPolarHBondContact CD-OE1 3.4Å; R1422-E1426 HydrophobicContact CG-CG 4.49Å; R1422-E1426 WeakPolarHBondContact CG-OE1 3.39Å; R1422-E1426 WeakPolarHBondContact O-CB 3.26Å; R1422-E1426 WeakPolarHBondContact O-CG 3.35Å; R1422-E1426 PolarHBondContact O-N 3.19Å; A1423-E1426 PolarHBondContact O-N 2.95Å; A1424-E1426 VanDerWaalsContact C-N 3.32Å; A1424-E1426 PolarHBondContact O-N 2.84Å; E1426-E1428 VanDerWaalsContact C-N 3.33Å; E1426-E1428 PolarHBondContact O-N 3.39Å; E1426-A1429 CarbonylContact O-C 3.57Å; E1426-A1429 PolarHBondContact O-N 3.27Å; E1426-I1430 WeakPolarHBondContact O-CB 3.3Å; E1426-I1430 VanDerWaalsContact O-CD1 3.27Å; E1426-I1430 WeakPolarHBondContact O-CD1 3.33Å; E1426-I1430 VanDerWaalsContact O-CG1 3.29Å; E1426-I1430 WeakPolarHBondContact O-CG1 3.38Å; E1426-I1430 PolarHBondContact O-N 3.07Å
1427	L	58.8	Low	49.9	Very low	124.4 Å²	124.4	100.6 Å²	100.6	65%	0.651	55%	0.553	S	S	*	*	H	α-helix	trans	-65.2	-38.8	173.5	-74.8	168	0	0	0	112.6	A1423 A1424 A1429 I1430 S1431	A1423-L1427 WeakPolarHBondContact O-CB 3.36Å; A1423-L1427 VanDerWaalsContact O-CG 3.27Å; A1423-L1427 WeakPolarHBondContact O-CG 3.29Å; A1423-L1427 PolarHBondContact O-N 2.93Å; A1423-L1427 VanDerWaalsContact O-N 3.08Å; A1424-L1427 PolarHBondContact O-N 3.02Å; L1427-A1429 VanDerWaalsContact C-N 3.3Å; L1427-A1429 PolarHBondContact O-N 2.94Å; L1427-I1430 PolarHBondContact O-N 2.98Å; L1427-I1430 VanDerWaalsContact O-N 3.12Å; L1427-S1431 PolarHBondContact O-N 2.8Å; L1427-S1431 PolarHBondContact O-OG 2.87Å; L1427-S1431 VanDerWaalsContact O-OG 3.13Å
1428	E	51.8	Low	48.7	Very low	99 Å²	99	100.9 Å²	100.9	46%	0.463	56%	0.562	S	S	.	*	H	α-helix	trans	-66	-35.2	175.3	-160.9	163.4	-141.6	0	0	111.2	R1375 A1424 A1425 E1426 I1430 S1431	R1375-E1428 IonicContact NH1-OE1 2.62Å; A1424-E1428 VanDerWaalsContact O-CB 3.3Å; A1424-E1428 WeakPolarHBondContact O-CB 3.37Å; A1424-E1428 PolarHBondContact O-N 2.98Å; A1425-E1428 PolarHBondContact O-N 2.94Å; E1426-E1428 VanDerWaalsContact C-N 3.33Å; E1426-E1428 PolarHBondContact O-N 3.39Å; E1428-I1430 VanDerWaalsContact C-N 3.32Å; E1428-I1430 PolarHBondContact O-N 3.25Å; E1428-S1431 WeakPolarHBondContact O-CB 3.48Å; E1428-S1431 PolarHBondContact O-N 3.21Å
1429	A	52.2	Low	47.1	Very low	86.4 Å²	86.4	103.8 Å²	103.8	71%	0.714	57%	0.573	S	S	*	*	H	α-helix	trans	-76.3	-15.4	175.6	0	0	0	0	0	115	A1425 E1426 L1427	A1425-A1429 VanDerWaalsContact O-CB 3.28Å; A1425-A1429 WeakPolarHBondContact O-CB 3.4Å; A1425-A1429 PolarHBondContact O-N 3.08Å; E1426-A1429 CarbonylContact O-C 3.57Å; E1426-A1429 PolarHBondContact O-N 3.27Å; L1427-A1429 VanDerWaalsContact C-N 3.3Å; L1427-A1429 PolarHBondContact O-N 2.94Å
1430	I	49.7	Very low	45.6	Very low	127.8 Å²	127.8	107.9 Å²	107.9	66%	0.655	59%	0.589	S	S	*	*	H	α-helix	trans	-94.3	-10.1	-179.1	-70.4	164.7	0	0	0	112.2	E1426 L1427 E1428 P1432	E1426-I1430 WeakPolarHBondContact O-CB 3.3Å; E1426-I1430 VanDerWaalsContact O-CD1 3.27Å; E1426-I1430 WeakPolarHBondContact O-CD1 3.33Å; E1426-I1430 VanDerWaalsContact O-CG1 3.29Å; E1426-I1430 WeakPolarHBondContact O-CG1 3.38Å; E1426-I1430 PolarHBondContact O-N 3.07Å; L1427-I1430 PolarHBondContact O-N 2.98Å; L1427-I1430 VanDerWaalsContact O-N 3.12Å; E1428-I1430 VanDerWaalsContact C-N 3.32Å; E1428-I1430 PolarHBondContact O-N 3.25Å; I1430-P1432 VanDerWaalsContact O-CD 3.27Å; I1430-P1432 WeakPolarHBondContact O-CD 3.35Å
1431	S	35.2	Very low	44.1	Very low	86.2 Å²	86.2	114.6 Å²	114.6	60%	0.603	61%	0.614	S	S	*	*	S	Bend	trans	-75.7	113.7	-179	-126.7	0	0	0	0	112.4	L1427 E1428 I1433	L1427-S1431 PolarHBondContact O-N 2.8Å; L1427-S1431 PolarHBondContact O-OG 2.87Å; L1427-S1431 VanDerWaalsContact O-OG 3.13Å; E1428-S1431 WeakPolarHBondContact O-CB 3.48Å; E1428-S1431 PolarHBondContact O-N 3.21Å; S1431-I1433 PolarHBondContact O-N 2.98Å
1432	P	33.7	Very low	42.6	Very low	116 Å²	116	119.1 Å²	119.1	75%	0.753	64%	0.642	S	S	*	*			trans	-84.3	103.4	-170.1	15.1	-9.7	0	0	0	113.5	I1430 G1434	I1430-P1432 VanDerWaalsContact O-CD 3.27Å; I1430-P1432 WeakPolarHBondContact O-CD 3.35Å; P1432-G1434 PolarHBondContact O-N 2.98Å
1433	I	34.3	Very low	41	Very low	162.2 Å²	162.2	117.8 Å²	117.8	83%	0.832	65%	0.652	S	S	*	*			trans	-81.4	114.9	158.7	-63.5	154.7	0	0	0	110.3	S1431 P1442	S1431-I1433 PolarHBondContact O-N 2.98Å; I1433-P1442 HydrophobicContact CG2-CB 4.21Å
1434	G	32.3	Very low	39.2	Very low	67.8 Å²	67.8	118.5 Å²	118.5	70%	0.699	66%	0.664	S	S	*	*			trans	170.2	112.7	172.9	0	0	0	0	0	114.8	P1432 Y1436	P1432-G1434 PolarHBondContact O-N 2.98Å; G1434-Y1436 PolarHBondContact O-N 2.99Å
1435	Y	28.7	Very low	37.9	Very low	201.6 Å²	201.6	123.7 Å²	123.7	79%	0.791	69%	0.689	S	S	*	*			trans	-51.8	134.9	173.4	-80.9	-99.6	0	0	0	115	H1448	Y1435-H1448 PolarHBondContact OH-CD2 2.91Å; Y1435-H1448 VanDerWaalsContact OH-CD2 3.32Å; Y1435-H1448 PolarHBondContact OH-NE2 2.83Å
1436	Y	29.9	Very low	36.4	Very low	223.2 Å²	223.2	128.7 Å²	128.7	88%	0.875	71%	0.705	S	S	*	*			trans	136.3	132.9	149.4	-60.3	-66.1	0	0	0	114.9	G1434	G1434-Y1436 PolarHBondContact O-N 2.99Å
1437	N	29.7	Very low	34.9	Very low	154.8 Å²	154.8	132.4 Å²	132.4	83%	0.828	72%	0.715	S	S	*	*			trans	85	100.8	-178.5	-116.4	11.4	0	0	0	118.8
1438	V	29.7	Very low	33.4	Very low	114.4 Å²	114.4	134.1 Å²	134.1	69%	0.693	72%	0.72	S	S	*	*	S	Bend	trans	-179.3	110.6	151	-173.3	0	0	0	0	112.9	H1440	V1438-H1440 PolarHBondContact O-CD2 3.49Å; V1438-H1440 PolarHBondContact O-N 2.83Å
1439	N	28.7	Very low	32.3	Very low	145 Å²	145	134 Å²	134	78%	0.775	73%	0.73	S	S	*	*			trans	30.9	57.2	163.3	-64.3	-16.9	0	0	0	116.3	H1441 Y1714	N1439-H1441 PolarHBondContact O-N 2.76Å; N1439-Y1714 PolarHBondContact ND2-OH 2.76Å
1440	H	30.8	Very low	31.3	Very low	165 Å²	165	136.2 Å²	136.2	76%	0.764	73%	0.734	S	S	*	*			trans	-131.3	131.4	156.9	-80.8	-63.2	0	0	0	110.9	V1438 P1442	V1438-H1440 PolarHBondContact O-CD2 3.49Å; V1438-H1440 PolarHBondContact O-N 2.83Å; H1440-P1442 WeakPolarHBondContact O-CD 3.48Å
1441	H	30.8	Very low	30.4	Very low	174.4 Å²	174.4	137.5 Å²	137.5	81%	0.807	74%	0.735	S	S	*	*			trans	-69	120.6	166	-80.7	-82.7	0	0	0	112	N1439 S1443	N1439-H1441 PolarHBondContact O-N 2.76Å; H1441-S1443 PolarHBondContact O-N 3.25Å; H1441-S1443 PolarHBondContact O-OG 2.85Å
1442	P	30.6	Very low	30.3	Very low	110.6 Å²	110.6	138 Å²	138	72%	0.718	74%	0.739	S	S	*	*			trans	-77.5	122.5	168.1	31	-31.1	0	0	0	110.3	I1433 H1440 G1444	I1433-P1442 HydrophobicContact CG2-CB 4.21Å; H1440-P1442 WeakPolarHBondContact O-CD 3.48Å; P1442-G1444 PolarHBondContact O-N 3.07Å
1443	S	29.1	Very low	30.2	Very low	101 Å²	101	139.7 Å²	139.7	71%	0.706	74%	0.742	S	S	*	*			trans	-70.5	89.1	167.5	-59.8	0	0	0	0	111.2	H1441 L1445 K1486	H1441-S1443 PolarHBondContact O-N 3.25Å; H1441-S1443 PolarHBondContact O-OG 2.85Å; S1443-L1445 PolarHBondContact O-N 3.04Å; S1443-K1486 PolarHBondContact OG-NZ 3.21Å
1444	G	29	Very low	30.3	Very low	60.2 Å²	60.2	140.6 Å²	140.6	62%	0.621	74%	0.742	S	S	*	*			trans	-128	121.4	175	0	0	0	0	0	112.3	P1442 H1446	P1442-G1444 PolarHBondContact O-N 3.07Å; G1444-H1446 VanDerWaalsContact C-N 3.28Å; G1444-H1446 PolarHBondContact O-N 3.07Å
1445	L	31	Very low	30.5	Very low	123.4 Å²	123.4	146.2 Å²	146.2	65%	0.646	75%	0.75	S	S	*	*	S	Bend	trans	9.2	82.7	170.3	-73.2	151.3	0	0	0	115.8	E968 D1407 S1443 Y1447	E968-L1445 WeakPolarHBondContact OE1-CD1 3.22Å; D1407-L1445 HydrophobicContact CB-CD2 4.39Å; D1407-L1445 VanDerWaalsContact OD1-C 3.27Å; D1407-L1445 VanDerWaalsContact OD1-CA 3.23Å; D1407-L1445 WeakPolarHBondContact OD1-CA 3.42Å; D1407-L1445 VanDerWaalsContact OD1-CD2 3.24Å; D1407-L1445 WeakPolarHBondContact OD1-CD2 3.47Å; S1443-L1445 PolarHBondContact O-N 3.04Å; L1445-Y1447 PolarHBondContact O-N 3.16Å
1446	H	28.6	Very low	30.7	Very low	150.8 Å²	150.8	145 Å²	145	70%	0.698	75%	0.752	S	S	*	*			trans	-117.3	115.9	159.2	-86.6	-55.7	0	0	0	112.2	G1444 H1448	G1444-H1446 VanDerWaalsContact C-N 3.28Å; G1444-H1446 PolarHBondContact O-N 3.07Å; H1446-H1448 AromaticContact ND1-CD2 3.63Å; H1446-H1448 PolarHBondContact O-N 2.89Å
1447	Y	28.5	Very low	31	Very low	185.4 Å²	185.4	141.8 Å²	141.8	73%	0.727	75%	0.75	S	S	*	*			trans	-105.2	111.5	160	-120.3	-88.8	0	0	0	109.8	R977 L1445 S1449	R977-Y1447 PolarHBondContact NH2-OH 3.21Å; L1445-Y1447 PolarHBondContact O-N 3.16Å; Y1447-S1449 PolarHBondContact O-N 3.11Å
1448	H	27.9	Very low	31.1	Very low	160.2 Å²	160.2	139.4 Å²	139.4	74%	0.742	75%	0.746	S	S	*	*			trans	-74.4	126.9	166.4	-100.2	-83.3	0	0	0	109.3	Y1435 H1446 V1450	Y1435-H1448 PolarHBondContact OH-CD2 2.91Å; Y1435-H1448 VanDerWaalsContact OH-CD2 3.32Å; Y1435-H1448 PolarHBondContact OH-NE2 2.83Å; H1446-H1448 AromaticContact ND1-CD2 3.63Å; H1446-H1448 PolarHBondContact O-N 2.89Å; H1448-V1450 PolarHBondContact O-N 2.89Å; H1448-V1450 VanDerWaalsContact O-N 3.13Å
1449	S	28.7	Very low	31.2	Very low	97.8 Å²	97.8	140.9 Å²	140.9	68%	0.684	75%	0.749	S	S	*	*			trans	-65.8	107.7	170	-179.3	0	0	0	0	109.7	Y1447 K1451	Y1447-S1449 PolarHBondContact O-N 3.11Å; S1449-K1451 VanDerWaalsContact C-N 3.28Å; S1449-K1451 PolarHBondContact O-N 2.8Å
1450	V	31.4	Very low	31.8	Very low	131.8 Å²	131.8	144.8 Å²	144.8	80%	0.799	76%	0.755	S	S	*	*			trans	-78.7	102.8	167.5	-179.7	0	0	0	0	107.7	H1448	H1448-V1450 PolarHBondContact O-N 2.89Å; H1448-V1450 VanDerWaalsContact O-N 3.13Å
1451	K	29.9	Very low	31.9	Very low	154.8 Å²	154.8	141.4 Å²	141.4	67%	0.673	76%	0.756	S	S	*	*			trans	-88	128.2	159	-71.5	-174	174.9	-176	0	107.7	S1449 D1453	S1449-K1451 VanDerWaalsContact C-N 3.28Å; S1449-K1451 PolarHBondContact O-N 2.8Å; K1451-D1453 PolarHBondContact O-N 2.99Å; K1451-D1453 VanDerWaalsContact O-N 3.14Å
1452	S	32.7	Very low	32	Very low	98.4 Å²	98.4	140.8 Å²	140.8	69%	0.688	75%	0.753	S	S	*	*			trans	-85.8	109.1	163.4	52.2	0	0	0	0	108.7	E1454	S1452-E1454 PolarHBondContact O-N 2.87Å; S1452-E1454 VanDerWaalsContact O-N 3.12Å
1453	D	33.1	Very low	32.1	Very low	151.4 Å²	151.4	142.1 Å²	142.1	81%	0.81	75%	0.754	S	S	*	*			trans	-65.6	110.2	156.6	-60.5	-36.6	0	0	0	110.5	K1451	K1451-D1453 PolarHBondContact O-N 2.99Å; K1451-D1453 VanDerWaalsContact O-N 3.14Å
1454	E	35.4	Very low	32.3	Very low	179.6 Å²	179.6	144.4 Å²	144.4	84%	0.839	76%	0.758	S	S	*	*			trans	-128	106.6	148.9	-74.5	-176.2	-173.2	0	0	111.8	S1452	S1452-E1454 PolarHBondContact O-N 2.87Å; S1452-E1454 VanDerWaalsContact O-N 3.12Å
1455	E	36.2	Very low	32.6	Very low	186.6 Å²	186.6	148.1 Å²	148.1	87%	0.872	76%	0.763	S	S	*	*			trans	-134.1	127.3	151.8	-69.8	-174.9	168.1	0	0	113.2
1456	E	33.6	Very low	32.7	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	77%	0.766	S	S	*	*			trans	-120.9	139.3	159.7	-65.9	-175	141.9	0	0	113.2
1457	D	35	Very low	32.9	Very low	156 Å²	156	149.7 Å²	149.7	83%	0.834	77%	0.772	S	S	*	*			trans	65.1	118.5	142.1	-74.4	-17.9	0	0	0	118.7
1458	S	33.3	Very low	33.2	Very low	104.6 Å²	104.6	147.7 Å²	147.7	73%	0.731	77%	0.773	S	S	*	*				-167.7	114.4	128.4	58.6	0	0	0	0	113.5	Y1460	S1458-Y1460 VanDerWaalsContact C-N 3.3Å; S1458-Y1460 PolarHBondContact O-N 2.81Å
1459	D	31.9	Very low	33.5	Very low	145.2 Å²	145.2	148.5 Å²	148.5	78%	0.776	77%	0.771	S	S	*	*			trans	-57.1	114.2	169	-74.8	-38.7	0	0	0	114.5
1460	Y	39.3	Very low	33.6	Very low	225.6 Å²	225.6	150.3 Å²	150.3	89%	0.885	77%	0.773	S	S	*	*			trans	-161.3	117.9	139.5	-83.9	-64.7	0	0	0	113.4	S1458	S1458-Y1460 VanDerWaalsContact C-N 3.3Å; S1458-Y1460 PolarHBondContact O-N 2.81Å
1461	A	34	Very low	33.4	Very low	94.6 Å²	94.6	150.8 Å²	150.8	78%	0.782	77%	0.771	S	S	*	*			trans	56.7	108.7	153.8	0	0	0	0	0	119.1
1462	E	32.6	Very low	33.4	Very low	162 Å²	162	148.5 Å²	148.5	76%	0.757	77%	0.77	S	S	*	*			trans	-126.8	109.2	141.9	-97.5	-171.5	149	0	0	113.6	D1464 L1465	E1462-D1464 PolarHBondContact O-N 3Å; E1462-L1465 WeakPolarHBondContact OE2-CD1 3.22Å
1463	N	32.2	Very low	33.2	Very low	137 Å²	137	151.8 Å²	151.8	73%	0.733	77%	0.772	S	S	*	*			trans	-94.7	114.4	138.8	-72.1	-37.1	0	0	0	114.2
1464	D	34.8	Very low	32.9	Very low	150.2 Å²	150.2	151.5 Å²	151.5	80%	0.803	77%	0.771	S	S	*	*			trans	143.8	75.8	134.4	-85.1	-19	0	0	0	117.6	E1462	E1462-D1464 PolarHBondContact O-N 3Å
1465	L	34.8	Very low	32.6	Very low	137.4 Å²	137.4	150 Å²	150	72%	0.719	77%	0.767	S	S	*	*			trans	-99.6	39.1	167.1	-82.4	160.8	0	0	0	117.1	E1462 E1467	E1462-L1465 WeakPolarHBondContact OE2-CD1 3.22Å; L1465-E1467 PolarHBondContact O-N 2.84Å
1466	N	32.3	Very low	32.3	Very low	133.6 Å²	133.6	149.2 Å²	149.2	71%	0.714	76%	0.76	S	S	*	*			trans	-104.3	40.6	162.3	-82	-47.9	0	0	0	117	L1468 Y1524	N1466-L1468 PolarHBondContact O-N 2.87Å; N1466-L1468 VanDerWaalsContact O-N 3.15Å; N1466-Y1524 WeakPolarHBondContact CB-OH 3.48Å; N1466-Y1524 PolarHBondContact ND2-OH 3.49Å
1467	E	34.2	Very low	32.1	Very low	174 Å²	174	146.3 Å²	146.3	81%	0.813	75%	0.751	S	S	*	*			trans	-97.6	23.2	167.9	-79.7	-164.3	151.9	0	0	115.3	L1465 Y1469	L1465-E1467 PolarHBondContact O-N 2.84Å; E1467-Y1469 PolarHBondContact O-N 3.01Å
1468	L	34.7	Very low	31.8	Very low	143.2 Å²	143.2	145.8 Å²	145.8	75%	0.75	75%	0.748	S	S	*	*	S	Bend	trans	-106.5	22.5	-162.7	-114.7	123.5	0	0	0	114.3	N1466	N1466-L1468 PolarHBondContact O-N 2.87Å; N1466-L1468 VanDerWaalsContact O-N 3.15Å
1469	Y	33.2	Very low	31.6	Very low	178 Å²	178	146.8 Å²	146.8	70%	0.698	75%	0.75	S	S	*	*	S	Bend	trans	-85.7	22.1	175.2	-101	-96.3	0	0	0	115.4	E1467	E1467-Y1469 PolarHBondContact O-N 3.01Å
1470	N	30.3	Very low	31.5	Very low	135.4 Å²	135.4	147.5 Å²	147.5	72%	0.724	75%	0.752	S	S	*	*	S	Bend	trans	-139.7	47.3	170.5	-76.8	-30.2	0	0	0	116.2
1471	N	28.6	Very low	31	Very low	141.2 Å²	141.2	141.4 Å²	141.4	76%	0.755	74%	0.742	S	S	*	*			trans	-138.4	77.5	167.1	-87.4	-29.9	0	0	0	116.1
1472	T	29.5	Very low	30.7	Very low	107 Å²	107	143.5 Å²	143.5	66%	0.656	74%	0.74	S	S	*	*	S	Bend	trans	-137.5	107.4	168.2	-13.6	0	0	0	0	113.4
1473	F	27.8	Very low	30.5	Very low	167.2 Å²	167.2	143.4 Å²	143.4	73%	0.733	74%	0.74	S	S	*	*			trans	130.3	102.8	162.2	-91	-84.3	0	0	0	116.1
1474	N	27.2	Very low	30.3	Very low	145.6 Å²	145.6	147.2 Å²	147.2	78%	0.779	75%	0.745	S	S	*	*			trans	-168.4	97.5	150	-110.5	-31	0	0	0	113.6
1475	I	30.1	Very low	30.2	Very low	149.2 Å²	149.2	145.5 Å²	145.5	77%	0.765	74%	0.741	S	S	*	*			trans	-86.3	118.6	148.8	-61.2	175.4	0	0	0	112.1
1476	K	29	Very low	29.9	Very low	168.4 Å²	168.4	146.7 Å²	146.7	73%	0.732	74%	0.74	S	S	*	*			trans	-128.7	127.1	146.5	-92.2	172.5	-176.7	177.1	0	110.3	P1305 N1478	P1305-K1476 PolarHBondContact O-NZ 2.67Å; K1476-N1478 VanDerWaalsContact C-N 3.28Å; K1476-N1478 PolarHBondContact O-N 2.67Å
1477	D	29.9	Very low	29.8	Very low	117.6 Å²	117.6	149.9 Å²	149.9	63%	0.629	74%	0.743	S	S	*	*			trans	26.5	115.6	144.7	-57.6	-27.9	0	0	0	117.3	K1308 T1479 T2172	K1308-D1477 WeakPolarHBondContact CD-OD2 3.28Å; K1308-D1477 IonicContact NZ-OD2 3.99Å; K1308-D1477 PolarHBondContact NZ-OD2 3.07Å; D1477-T1479 PolarHBondContact O-N 3.11Å; D1477-T2172 HydrophobicContact CB-CG2 4.37Å; D1477-T2172 PolarHBondContact OD2-OG1 2.78Å
1478	N	28.5	Very low	29.7	Very low	145.6 Å²	145.6	147.5 Å²	147.5	78%	0.779	74%	0.736	S	S	*	*			trans	-24.7	108.3	148	-83.9	-19.3	0	0	0	113.1	K1476	K1476-N1478 VanDerWaalsContact C-N 3.28Å; K1476-N1478 PolarHBondContact O-N 2.67Å
1479	T	29.2	Very low	29.6	Very low	125 Å²	125	148.3 Å²	148.3	77%	0.767	73%	0.733	S	S	*	*				107.7	124.8	115.3	53.3	0	0	0	0	112.1	D1477	D1477-T1479 PolarHBondContact O-N 3.11Å
1480	I	29.5	Very low	29.5	Very low	160.6 Å²	160.6	146.4 Å²	146.4	82%	0.824	73%	0.731	S	S	*	*				164.3	121.1	127.5	-74.8	157.5	0	0	0	113.2
1481	S	28.4	Very low	29.6	Very low	97.2 Å²	97.2	147 Å²	147	68%	0.68	73%	0.734	S	S	*	*			trans	-87.3	128.7	159.1	145.6	0	0	0	0	112.9	H1483	S1481-H1483 PolarHBondContact O-N 2.95Å
1482	N	28.7	Very low	29.8	Very low	138.2 Å²	138.2	143.9 Å²	143.9	74%	0.739	73%	0.728	S	S	*	*			trans	104	120.1	139.6	-74.2	-20.5	0	0	0	116.6
1483	H	28.7	Very low	29.9	Very low	159.4 Å²	159.4	145.4 Å²	145.4	74%	0.738	73%	0.733	S	S	*	*			trans	63.4	119.6	135.4	-83	-76.6	0	0	0	117.4	S1481	S1481-H1483 PolarHBondContact O-N 2.95Å
1484	Y	27.6	Very low	30.1	Very low	216.8 Å²	216.8	147.9 Å²	147.9	85%	0.85	74%	0.737	S	S	*	*			trans	-144	128.2	130.1	-90.7	-79.4	0	0	0	112.9
1485	T	31.6	Very low	30.3	Very low	115.6 Å²	115.6	150.1 Å²	150.1	71%	0.709	74%	0.74	S	S	*	*			trans	-126.5	133.4	153.7	37.2	0	0	0	0	111.5
1486	K	29.2	Very low	30.2	Very low	161.2 Å²	161.2	149.4 Å²	149.4	70%	0.701	74%	0.738	S	S	*	*				62.8	115.5	125.8	-145	178.3	-176	177.7	0	118	S1443	S1443-K1486 PolarHBondContact OG-NZ 3.21Å
1487	Y	30.2	Very low	30.4	Very low	201.8 Å²	201.8	146.7 Å²	146.7	79%	0.791	74%	0.74	S	S	*	*			trans	166.4	127.4	133.8	-88.6	-88.8	0	0	0	113.6
1488	N	31.7	Very low	30.3	Very low	123.8 Å²	123.8	149.8 Å²	149.8	66%	0.662	75%	0.748	S	S	*	*				42.8	139.6	111.8	-77.8	1.3	0	0	0	117
1489	K	33	Very low	30.4	Very low	158.8 Å²	158.8	150.2 Å²	150.2	69%	0.69	75%	0.749	S	S	*	*				114.2	138.8	99.6	-106.2	177.8	165	-106.6	0	115.5
1490	E	31.2	Very low	30.3	Very low	138.4 Å²	138.4	148.7 Å²	148.7	65%	0.647	74%	0.743	S	S	*	*			trans	71.5	129.8	133.3	-71.4	150.1	-159.5	0	0	116.8
1491	D	32.2	Very low	30.2	Very low	147.8 Å²	147.8	152 Å²	152	79%	0.79	75%	0.745	S	S	*	*			cis	171.7	135.6	49	-97.5	-26.1	0	0	0	114.6
1492	A	32.3	Very low	30.3	Very low	76.6 Å²	76.6	151.6 Å²	151.6	63%	0.633	74%	0.743	S	S	*	*				59.4	119.6	126.1	0	0	0	0	0	120.7
1493	N	32.7	Very low	30.3	Very low	139.2 Å²	139.2	151.9 Å²	151.9	74%	0.744	75%	0.745	S	S	*	*				106.4	118.8	110	-83.4	-41	0	0	0	117.7
1494	R	30.6	Very low	30.5	Very low	219.4 Å²	219.4	150.9 Å²	150.9	83%	0.828	74%	0.744	S	S	*	*				101.3	129.3	121.9	-76.3	168.8	-177.5	-172.4	-0.2	116.7
1495	F	31.7	Very low	30.7	Very low	190.8 Å²	190.8	147.1 Å²	147.1	84%	0.837	74%	0.738	S	S	*	*				-163.1	135.9	98.1	-106.3	-96.3	0	0	0	116.2
1496	N	29.2	Very low	30.6	Very low	134.2 Å²	134.2	151.4 Å²	151.4	72%	0.718	74%	0.741	S	S	*	*			trans	-56.7	134.9	154.8	-74.1	-42.1	0	0	0	114
1497	S	32.2	Very low	30.6	Very low	112.4 Å²	112.4	153.8 Å²	153.8	79%	0.786	75%	0.746	S	S	*	*				-171.9	139.2	107.5	66.2	0	0	0	0	112.7
1498	K	28.6	Very low	30.6	Very low	182.8 Å²	182.8	150.5 Å²	150.5	80%	0.795	74%	0.742	S	S	*	*			trans	-70.6	145.5	167.1	-82.3	166.5	172.9	-178.4	0	113.5
1499	I	30.6	Very low	30.6	Very low	155 Å²	155	150.3 Å²	150.3	80%	0.795	75%	0.745	S	S	*	*				-139.5	118.1	110.7	-68.9	169.4	0	0	0	109.2
1500	S	27	Very low	30.5	Very low	93.4 Å²	93.4	149.2 Å²	149.2	65%	0.653	75%	0.747	S	S	*	*			trans	97	145.7	130.5	-170.2	0	0	0	0	111.5
1501	W	27.6	Very low	30.6	Very low	228.4 Å²	228.4	149.5 Å²	149.5	87%	0.865	75%	0.752	S	S	*	*				-139.4	133.9	72.8	-73.3	60.3	0	0	0	111.4
1502	S	30.1	Very low	30.5	Very low	89 Å²	89	152.6 Å²	152.6	62%	0.622	75%	0.753	S	S	*	*				75.8	125.2	108.1	70.7	0	0	0	0	117.5
1503	N	28.9	Very low	30.5	Very low	145.8 Å²	145.8	156.1 Å²	156.1	78%	0.78	76%	0.762	S	S	*	*				102.5	134.9	110.9	-77.4	-5.8	0	0	0	115
1504	D	31.5	Very low	30.3	Very low	137.4 Å²	137.4	156.6 Å²	156.6	74%	0.735	76%	0.764	S	S	*	*				-176.3	150.2	99.1	-103.2	-34.2	0	0	0	112.9
1505	L	32.3	Very low	30.4	Very low	136.8 Å²	136.8	154 Å²	154	72%	0.716	77%	0.765	S	S	*	*				107.5	118.2	113.1	-100.2	137.4	0	0	0	116.6	R1507	L1505-R1507 PolarHBondContact O-N 2.78Å
1506	R	28.9	Very low	30.2	Very low	206.8 Å²	206.8	151.5 Å²	151.5	78%	0.78	76%	0.76	S	S	*	*				12.8	133.6	110.5	-99.9	-176.4	-178.7	172.4	-0.7	115.1
1507	R	30.5	Very low	30.3	Very low	211.8 Å²	211.8	152.5 Å²	152.5	80%	0.799	76%	0.764	S	S	*	*			trans	112.7	135.2	147.8	-87.8	168.3	-176.2	172.2	1.3	116.2	L1505	L1505-R1507 PolarHBondContact O-N 2.78Å
1508	N	29.6	Very low	30.1	Very low	132.6 Å²	132.6	153.7 Å²	153.7	71%	0.709	76%	0.762	S	S	*	*			cis	159.6	137.4	33.5	-136.3	4.3	0	0	0	112.5
1509	V	32.9	Very low	30.2	Very low	119.2 Å²	119.2	153 Å²	153	72%	0.722	76%	0.762	S	S	*	*				160.3	128.2	97.9	175.7	0	0	0	0	113
1510	N	30.3	Very low	30.1	Very low	136 Å²	136	153.6 Å²	153.6	73%	0.727	76%	0.761	S	S	*	*			trans	-5.8	125.1	156.5	-55.6	-38.2	0	0	0	117.4
1511	N	32.6	Very low	30.1	Very low	143.2 Å²	143.2	153.4 Å²	153.4	77%	0.766	76%	0.759	S	S	*	*				-170.8	134	104.3	-110.8	-23.1	0	0	0	109.8
1512	R	29.9	Very low	30.1	Very low	213.6 Å²	213.6	149.9 Å²	149.9	81%	0.806	76%	0.757	S	S	*	*				53.8	118.9	88.9	-85.1	178.6	180	164.6	-0.8	112.2
1513	N	33.3	Very low	30	Very low	151 Å²	151	151.8 Å²	151.8	81%	0.807	76%	0.76	S	S	*	*				173.2	122.1	119.4	-78.7	-18.6	0	0	0	111.8
1514	N	28.5	Very low	30	Very low	148.8 Å²	148.8	153.3 Å²	153.3	80%	0.796	76%	0.755	S	S	*	*			trans	-9.9	121.8	135.9	-65.2	-16.8	0	0	0	114.2
1515	I	33	Very low	29.9	Very low	165.2 Å²	165.2	154.5 Å²	154.5	85%	0.847	75%	0.754	S	S	*	*				-149.8	127.6	116	-80.3	164.6	0	0	0	108.2
1516	N	26.1	Very low	29.6	Very low	138 Å²	138	154.6 Å²	154.6	74%	0.738	76%	0.755	S	S	*	*			trans	-88.2	125.6	178	-103.3	-28	0	0	0	109.8
1517	L	30.8	Very low	29.6	Very low	154.4 Å²	154.4	154 Å²	154	81%	0.808	75%	0.753	S	S	*	*			trans	-138.8	107.1	155.1	-144.1	79.8	0	0	0	109.8	Q1519	L1517-Q1519 PolarHBondContact O-N 3.29Å
1518	N	28.2	Very low	29.6	Very low	139.2 Å²	139.2	151.8 Å²	151.8	74%	0.744	75%	0.752	S	S	*	*			trans	-64.7	111.1	155.3	-71.6	-32.7	0	0	0	110.8
1519	Q	32.2	Very low	29.4	Very low	166.6 Å²	166.6	154.8 Å²	154.8	78%	0.779	75%	0.753	S	S	*	*			trans	-132.4	113.6	152.5	-83.4	174.9	9.5	0	0	107.4	L1517	L1517-Q1519 PolarHBondContact O-N 3.29Å
1520	H	27.7	Very low	29.2	Very low	169.2 Å²	169.2	158.5 Å²	158.5	78%	0.783	76%	0.76	S	S	*	*				91.3	112.1	101.6	-105.3	-80.8	0	0	0	111.3
1521	S	27	Very low	29.2	Very low	87.8 Å²	87.8	158.5 Å²	158.5	61%	0.614	77%	0.765	S	S	*	*			trans	74.3	137.3	130.8	75.7	0	0	0	0	116.2
1522	L	28.3	Very low	29	Very low	155 Å²	155	154.8 Å²	154.8	81%	0.812	76%	0.761	S	S	*	*				168	136.3	109.2	-66.7	172.3	0	0	0	113.4
1523	L	28.3	Very low	29	Very low	130 Å²	130	151.7 Å²	151.7	68%	0.681	76%	0.76	S	S	*	*				85.3	129.7	109.4	-78.8	174.9	0	0	0	114.6
1524	Y	27.4	Very low	28.9	Very low	176.6 Å²	176.6	151.6 Å²	151.6	69%	0.693	76%	0.755	S	S	*	*			trans	54.7	132.4	140	-79.6	-87.5	0	0	0	121.4	N1466	N1466-Y1524 WeakPolarHBondContact CB-OH 3.48Å; N1466-Y1524 PolarHBondContact ND2-OH 3.49Å
1525	K	29.5	Very low	28.9	Very low	163 Å²	163	155.2 Å²	155.2	71%	0.709	76%	0.757	S	S	*	*			trans	91.6	128.3	140.3	-75.9	161.1	-177.4	173.4	0	116	R1527 L1552	K1525-R1527 HydrophobicContact CG-CB 4.21Å; K1525-R1527 WeakPolarHBondContact CG-O 3.04Å; K1525-L1552 HydrophobicContact CD-CD2 4.42Å; K1525-L1552 HydrophobicContact CG-CD2 4.07Å
1526	N	27.2	Very low	28.9	Very low	137.8 Å²	137.8	152.6 Å²	152.6	74%	0.737	75%	0.749	S	S	*	*				-146.5	122.9	100.2	-106.5	-28	0	0	0	110.6	L1552 T1553 N1554 T1555	N1526-L1552 HydrophobicContact CB-CD2 4.11Å; N1526-T1553 PolarHBondContact ND2-O 2.73Å; N1526-T1553 PolarHBondContact OD1-O 2.83Å; N1526-N1554 PolarHBondContact ND2-OD1 3.09Å; N1526-N1554 WeakPolarHBondContact OD1-CA 3.44Å; N1526-T1555 PolarHBondContact OD1-N 3.28Å
1527	R	28.5	Very low	29.2	Very low	195.6 Å²	195.6	152.5 Å²	152.5	74%	0.738	75%	0.748	S	S	*	*			trans	-81.8	127.5	144.6	-115.9	178.7	177.7	-170.5	1.2	112.7	K1525 R1529	K1525-R1527 HydrophobicContact CG-CB 4.21Å; K1525-R1527 WeakPolarHBondContact CG-O 3.04Å; R1527-R1529 PolarHBondContact O-N 2.78Å
1528	Q	29.6	Very low	29.3	Very low	164.8 Å²	164.8	151.8 Å²	151.8	77%	0.77	75%	0.746	S	S	*	*			trans	-103.6	118.7	155.7	-79.7	173.3	-9.8	0	0	110.7	H2174	Q1528-H2174 PolarHBondContact NE2-CD2 3.43Å; Q1528-H2174 VanDerWaalsContact NE2-CD2 3.3Å; Q1528-H2174 PolarHBondContact NE2-NE2 3.33Å
1529	R	27.1	Very low	29.5	Very low	194.8 Å²	194.8	150.2 Å²	150.2	74%	0.735	75%	0.745	S	S	*	*				100.5	120.1	106.2	-83.8	-173.4	-171	179.1	2.4	113.2	R1527 T1531 T2172	R1527-R1529 PolarHBondContact O-N 2.78Å; R1529-T1531 PolarHBondContact O-N 2.86Å; R1529-T2172 PolarHBondContact NH2-OG1 3.09Å
1530	F	28.2	Very low	29.4	Very low	197.4 Å²	197.4	148 Å²	148	87%	0.866	74%	0.743	S	S	*	*			trans	-57.7	137.6	155.8	-83.4	-87.9	0	0	0	112.5
1531	T	29.3	Very low	29.7	Very low	137.2 Å²	137.2	145.4 Å²	145.4	84%	0.842	74%	0.74	S	S	*	*			trans	-128.4	142.9	157.6	43.3	0	0	0	0	110.3	R1529	R1529-T1531 PolarHBondContact O-N 2.86Å
1532	G	28.9	Very low	29.8	Very low	65.8 Å²	65.8	150.4 Å²	150.4	68%	0.678	75%	0.753	S	S	*	*			trans	141	128.3	133.5	0	0	0	0	0	112.5	H1534	G1532-H1534 PolarHBondContact O-N 3.35Å
1533	D	29.4	Very low	30	Very low	147.6 Å²	147.6	146.7 Å²	146.7	79%	0.789	75%	0.752	S	S	*	*			trans	20.8	137.4	139.1	-69	-52.7	0	0	0	114.3
1534	H	31	Very low	30	Very low	149.8 Å²	149.8	145 Å²	145	69%	0.694	76%	0.757	S	S	*	*				175.6	135.1	68.7	-101.3	-34.9	0	0	0	112.8	G1532 T1536	G1532-H1534 PolarHBondContact O-N 3.35Å; H1534-T1536 PolarHBondContact ND1-OG1 2.74Å
1535	R	29.5	Very low	30.2	Very low	222.6 Å²	222.6	144 Å²	144	84%	0.84	76%	0.764	S	S	*	*			trans	56	118.8	137.9	-86.2	179.1	178.1	-177.4	-1.1	116.2
1536	T	32.7	Very low	30.3	Very low	112.4 Å²	112.4	145 Å²	145	69%	0.69	77%	0.771	S	S	*	*				-169.9	131	101.6	35.9	0	0	0	0	111.5	H1534	H1534-T1536 PolarHBondContact ND1-OG1 2.74Å
1537	N	32.7	Very low	30.4	Very low	134.2 Å²	134.2	148 Å²	148	72%	0.718	78%	0.777	S	S	*	*				101.8	119.8	124.2	-74.8	-20.6	0	0	0	116
1538	N	32.9	Very low	30.5	Very low	141.2 Å²	141.2	145.5 Å²	145.5	76%	0.755	78%	0.783	S	S	*	*			trans	79.9	122.1	134.1	-57.8	-11.2	0	0	0	119.7
1539	S	31.3	Very low	30.3	Very low	104.2 Å²	104.2	145.6 Å²	145.6	73%	0.729	79%	0.788	S	S	*	*				126.1	128.9	103.5	57.7	0	0	0	0	115
1540	T	31.6	Very low	30.3	Very low	120.2 Å²	120.2	138.9 Å²	138.9	74%	0.737	78%	0.779	S	S	*	*				107.3	131.4	129.4	41.3	0	0	0	0	116.7
1541	T	32.8	Very low	30.2	Very low	116.4 Å²	116.4	135.3 Å²	135.3	71%	0.714	78%	0.776	S	S	*	*				113.5	132.6	117.5	41.4	0	0	0	0	117.6
1542	H	30.3	Very low	30	Very low	192 Å²	192	135.9 Å²	135.9	89%	0.889	77%	0.773	S	S	*	*			trans	58.4	138.6	145.8	-68.9	-68.7	0	0	0	116.4
1543	G	31.8	Very low	30	Very low	76.6 Å²	76.6	137.9 Å²	137.9	79%	0.79	77%	0.772	S	S	*	*			trans	156.9	119.7	160.5	0	0	0	0	0	111.2
1544	A	29.4	Very low	29.9	Very low	95.6 Å²	95.6	137.1 Å²	137.1	79%	0.79	77%	0.768	S	S	*	*			trans	-66.1	127.6	163.4	0	0	0	0	0	112.9
1545	D	30.8	Very low	29.9	Very low	155.2 Å²	155.2	134.5 Å²	134.5	83%	0.83	76%	0.762	S	S	*	*			trans	-159.5	144.8	138.2	-92	-36.9	0	0	0	113.3	K1547	D1545-K1547 PolarHBondContact O-N 2.87Å
1546	H	31.5	Very low	30.5	Very low	183.8 Å²	183.8	127.9 Å²	127.9	85%	0.851	75%	0.751	S	S	*	*			trans	-98.3	123.6	165.5	-90.4	-93.5	0	0	0	114.2	V1548	H1546-V1548 PolarHBondContact O-N 3.46Å
1547	K	29.5	Very low	31.4	Very low	201.2 Å²	201.2	126.5 Å²	126.5	88%	0.875	74%	0.742	S	S	*	*			trans	-90.7	125.4	163.7	-73.8	-178.4	175.8	-179.6	0	110.7	D1545 L1549	D1545-K1547 PolarHBondContact O-N 2.87Å; K1547-L1549 PolarHBondContact O-N 2.99Å
1548	V	29.3	Very low	32.7	Very low	141.8 Å²	141.8	121.2 Å²	121.2	86%	0.859	71%	0.713	S	S	*	*			trans	-99.4	133.4	156.2	170.1	0	0	0	0	108.6	H1546 G1550	H1546-V1548 PolarHBondContact O-N 3.46Å; V1548-G1550 PolarHBondContact O-N 2.81Å
1549	L	27.2	Very low	34.5	Very low	167.6 Å²	167.6	119 Å²	119	88%	0.877	70%	0.697	S	S	*	*			trans	-90.9	122.5	177.2	-148.4	77.2	0	0	0	109	K1547	K1547-L1549 PolarHBondContact O-N 2.99Å
1550	G	26	Very low	36.9	Very low	53.2 Å²	53.2	115.1 Å²	115.1	55%	0.548	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-87.4	152.8	171.4	0	0	0	0	0	112	V1548 L1552	V1548-G1550 PolarHBondContact O-N 2.81Å; G1550-L1552 PolarHBondContact O-N 2.85Å
1551	P	27.1	Very low	39.4	Very low	122.6 Å²	122.6	109.5 Å²	109.5	80%	0.796	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-75.9	147	-178.4	31.5	-34.2	0	0	0	112.4	T1553	P1551-T1553 PolarHBondContact O-N 2.82Å
1552	L	24.2	Very low	42	Very low	149.4 Å²	149.4	106.4 Å²	106.4	78%	0.782	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-71.5	131.2	171.7	-87.6	73.9	0	0	0	110.6	K1525 N1526 G1550 N1554	K1525-L1552 HydrophobicContact CD-CD2 4.42Å; K1525-L1552 HydrophobicContact CG-CD2 4.07Å; N1526-L1552 HydrophobicContact CB-CD2 4.11Å; G1550-L1552 PolarHBondContact O-N 2.85Å; L1552-N1554 PolarHBondContact O-N 3.08Å; L1552-N1554 VanDerWaalsContact O-N 3.09Å
1553	T	28.5	Very low	44.8	Very low	108 Å²	108	99.9 Å²	99.9	66%	0.663	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-87.7	121.6	169.2	47.5	0	0	0	0	110.2	N1526 P1551 T1555	N1526-T1553 PolarHBondContact ND2-O 2.73Å; N1526-T1553 PolarHBondContact OD1-O 2.83Å; P1551-T1553 PolarHBondContact O-N 2.82Å; T1553-T1555 VanDerWaalsContact C-N 3.3Å; T1553-T1555 PolarHBondContact O-N 3.06Å; T1553-T1555 VanDerWaalsContact O-N 3.09Å
1554	N	28	Very low	47.8	Very low	131.6 Å²	131.6	96.3 Å²	96.3	70%	0.704	55%	0.549	S	S	*	.			trans	-78.2	113	170.5	-75.2	-5.1	0	0	0	109.7	C1220 N1526 L1552 S1556	C1220-N1554 WeakPolarHBondContact CB-O 3.3Å; C1220-N1554 PolarHBondContact SG-O 2.63Å; N1526-N1554 PolarHBondContact ND2-OD1 3.09Å; N1526-N1554 WeakPolarHBondContact OD1-CA 3.44Å; L1552-N1554 PolarHBondContact O-N 3.08Å; L1552-N1554 VanDerWaalsContact O-N 3.09Å; N1554-S1556 PolarHBondContact O-N 2.96Å
1555	T	31.3	Very low	50.9	Low	93.8 Å²	93.8	94.8 Å²	94.8	58%	0.575	53%	0.528	S	S	*	.			trans	-90.4	119.6	174.2	51.5	0	0	0	0	110.2	N1526 T1553	N1526-T1555 PolarHBondContact OD1-N 3.28Å; T1553-T1555 VanDerWaalsContact C-N 3.3Å; T1553-T1555 PolarHBondContact O-N 3.06Å; T1553-T1555 VanDerWaalsContact O-N 3.09Å
1556	S	42.1	Very low	54	Low	84.2 Å²	84.2	88.3 Å²	88.3	59%	0.589	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-97.1	127.1	170.5	50.9	0	0	0	0	109.9	C1220 N1554 Q1558	C1220-S1556 PolarHBondContact SG-OG 2.76Å; N1554-S1556 PolarHBondContact O-N 2.96Å; S1556-Q1558 PolarHBondContact O-N 2.9Å
1557	V	50.6	Low	57	Low	84.4 Å²	84.4	81.3 Å²	81.3	51%	0.512	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-72.8	123	171.8	179.9	0	0	0	0	108.3	T1215 L1217 F1559	T1215-V1557 HydrophobicContact CG2-CG1 4.44Å; L1217-V1557 HydrophobicContact CD2-CG2 4.05Å; V1557-F1559 HydrophobicContact CB-CE2 4.3Å; V1557-F1559 HydrophobicContact CB-CZ 4.36Å; V1557-F1559 HydrophobicContact CG1-CD1 4.49Å; V1557-F1559 HydrophobicContact CG1-CD2 4.49Å; V1557-F1559 HydrophobicContact CG1-CE1 4.18Å; V1557-F1559 HydrophobicContact CG1-CE2 4.29Å; V1557-F1559 HydrophobicContact CG1-CZ 4.2Å
1558	Q	60.9	Low	60.1	Low	21.2 Å²	21.2	72.9 Å²	72.9	10%	0.099	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-93.1	132.9	173.5	-149.7	178.7	-7.3	0	0	109.6	D1216 V1218 S1556 N1611	D1216-Q1558 PolarHBondContact N-O 3.43Å; D1216-Q1558 PolarHBondContact O-N 2.83Å; D1216-Q1558 VanDerWaalsContact O-N 3.16Å; V1218-Q1558 HydrophobicContact CB-CB 4.37Å; V1218-Q1558 HydrophobicContact CG2-CB 3.74Å; S1556-Q1558 PolarHBondContact O-N 2.9Å; Q1558-N1611 VanDerWaalsContact CA-OD1 3.22Å; Q1558-N1611 WeakPolarHBondContact CA-OD1 3.3Å; Q1558-N1611 WeakPolarHBondContact CB-OD1 3.39Å; Q1558-N1611 WeakPolarHBondContact CG-OD1 3.43Å; Q1558-N1611 PolarHBondContact NE2-OD1 3.23Å
1559	F	70.6	Confident	63.2	Low	96.4 Å²	96.4	66.7 Å²	66.7	42%	0.423	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-97.8	155.6	175.1	-64.6	-81.3	0	0	0	110.3	T1215 V1557 S1561 N1611 S1612	T1215-F1559 HydrophobicContact CG2-CD1 4.02Å; T1215-F1559 HydrophobicContact CG2-CE1 4.08Å; V1557-F1559 HydrophobicContact CB-CE2 4.3Å; V1557-F1559 HydrophobicContact CB-CZ 4.36Å; V1557-F1559 HydrophobicContact CG1-CD1 4.49Å; V1557-F1559 HydrophobicContact CG1-CD2 4.49Å; V1557-F1559 HydrophobicContact CG1-CE1 4.18Å; V1557-F1559 HydrophobicContact CG1-CE2 4.29Å; V1557-F1559 HydrophobicContact CG1-CZ 4.2Å; F1559-S1561 PolarHBondContact O-N 3.18Å; F1559-N1611 PolarHBondContact N-OD1 3.08Å; F1559-N1611 WeakPolarHBondContact O-CA 3.43Å; F1559-N1611 PolarHBondContact O-OD1 3.09Å; F1559-S1612 WeakPolarHBondContact CB-OG 3.32Å
1560	Q	80.6	Confident	66.3	Low	22.6 Å²	22.6	62 Å²	62	11%	0.106	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-70.9	131.9	-178.7	-127.7	175.8	0.3	0	0	111.3	P1211 Q1214 H1330 T1331 H1332 S1612	P1211-Q1560 PolarHBondContact O-NE2 2.91Å; P1211-Q1560 PolarHBondContact O-OE1 3.06Å; Q1214-Q1560 PolarHBondContact O-NE2 2.74Å; Q1214-Q1560 VanDerWaalsContact O-NE2 3.13Å; H1330-Q1560 CarbonylContact O-C 3.56Å; H1330-Q1560 VanDerWaalsContact O-CA 3.3Å; H1330-Q1560 WeakPolarHBondContact O-CA 3.41Å; H1330-Q1560 WeakPolarHBondContact O-CG 3.39Å; T1331-Q1560 VanDerWaalsContact C-CG 3.46Å; T1331-Q1560 PolarHBondContact O-NE2 2.86Å; T1331-Q1560 VanDerWaalsContact O-NE2 3.08Å; H1332-Q1560 HydrophobicContact CB-CG 4.23Å; Q1560-S1612 PolarHBondContact O-N 2.9Å; Q1560-S1612 PolarHBondContact O-OG 3.07Å
1561	S	85.3	Confident	69.5	Low	1.2 Å²	1.2	62 Å²	62	1%	0.008	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	153.6	171.8	-59.7	0	0	0	0	110.8	H1330 T1331 H1332 F1559 E1607 S1609 H1610 N1611	H1330-S1561 PolarHBondContact O-N 2.88Å; T1331-S1561 CarbonylContact C-O 3.58Å; T1331-S1561 VanDerWaalsContact CA-O 3.3Å; T1331-S1561 WeakPolarHBondContact CA-O 3.35Å; T1331-S1561 PolarHBondContact OG1-O 3.14Å; H1332-S1561 PolarHBondContact N-O 2.84Å; F1559-S1561 PolarHBondContact O-N 3.18Å; S1561-E1607 VanDerWaalsContact CB-OE1 3.27Å; S1561-E1607 WeakPolarHBondContact CB-OE1 3.37Å; S1561-E1607 PolarHBondContact OG-OE1 3.19Å; S1561-S1609 WeakPolarHBondContact CA-O 3.35Å; S1561-H1610 WeakPolarHBondContact OG-CA 3.36Å; S1561-N1611 PolarHBondContact OG-N 2.95Å; S1561-N1611 VanDerWaalsContact OG-N 3.15Å
1562	S	86.1	Confident	72.6	Confident	52.6 Å²	52.6	57.5 Å²	57.5	37%	0.368	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-51.8	-171.4	-66.9	0	0	0	0	112.5	L1333 L1608 S1609	L1333-S1562 PolarHBondContact N-O 2.98Å; S1562-L1608 WeakPolarHBondContact CB-O 3.48Å; S1562-L1608 PolarHBondContact N-O 2.94Å; S1562-L1608 VanDerWaalsContact N-O 3.1Å; S1562-S1609 WeakPolarHBondContact CB-OG 3.47Å; S1562-S1609 VanDerWaalsContact OG-CB 3.27Å; S1562-S1609 WeakPolarHBondContact OG-CB 3.36Å; S1562-S1609 PolarHBondContact OG-OG 3.08Å
1563	I	90.6	Very high	75.9	Confident	55.2 Å²	55.2	53.7 Å²	53.7	28%	0.283	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	135.1	-176.9	-66.6	178.7	0	0	0	109.2	T1331 L1333 L1565 L1608	T1331-I1563 WeakPolarHBondContact OG1-CA 3.38Å; T1331-I1563 PolarHBondContact OG1-N 3.31Å; L1333-I1563 HydrophobicContact CB-CB 4.31Å; L1333-I1563 HydrophobicContact CB-CG1 4.3Å; L1333-I1563 HydrophobicContact CD2-CD1 4.23Å; L1333-I1563 HydrophobicContact CD2-CG1 4.28Å; L1333-I1563 HydrophobicContact CD2-CG2 4.29Å; L1333-I1563 HydrophobicContact CG-CD1 4.26Å; L1333-I1563 HydrophobicContact CG-CG1 4.13Å; L1333-I1563 HydrophobicContact CG-CG2 4.43Å; L1333-I1563 CarbonylContact O-C 3.51Å; L1333-I1563 VanDerWaalsContact O-CA 3.3Å; L1333-I1563 WeakPolarHBondContact O-CA 3.25Å; I1563-L1565 HydrophobicContact CG2-CD2 3.69Å; I1563-L1565 HydrophobicContact CG2-CG 4.03Å; I1563-L1608 HydrophobicContact CB-CB 4.37Å; I1563-L1608 HydrophobicContact CB-CD1 4.34Å; I1563-L1608 HydrophobicContact CD1-CD1 4.5Å; I1563-L1608 PolarHBondContact N-O 2.9Å; I1563-L1608 PolarHBondContact O-N 2.96Å
1564	C	93.5	Very high	79	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.3	163.9	-64.4	0	0	0	0	110	A1327 T1331 L1333 F1334 V1335 F1605 T1606	A1327-C1564 PolarHBondContact O-SG 2.9Å; A1327-C1564 VanDerWaalsContact O-SG 3.33Å; T1331-C1564 VanDerWaalsContact CB-SG 3.56Å; T1331-C1564 WeakPolarHBondContact CB-SG 3.37Å; T1331-C1564 HydrophobicContact CG2-CB 3.98Å; T1331-C1564 PolarHBondContact OG1-N 2.91Å; T1331-C1564 PolarHBondContact OG1-SG 3.15Å; T1331-C1564 VanDerWaalsContact OG1-SG 3.39Å; L1333-C1564 PolarHBondContact O-N 3.14Å; F1334-C1564 WeakPolarHBondContact CA-O 3.44Å; F1334-C1564 HydrophobicContact CD2-CB 3.84Å; F1334-C1564 WeakPolarHBondContact CD2-O 3.37Å; F1334-C1564 HydrophobicContact CE2-CB 4.4Å; V1335-C1564 PolarHBondContact N-O 2.97Å; C1564-F1605 HydrophobicContact CB-CE2 4.12Å; C1564-F1605 HydrophobicContact CB-CZ 3.85Å; C1564-T1606 CarbonylContact C-O 3.51Å; C1564-T1606 VanDerWaalsContact CA-O 3.27Å; C1564-T1606 WeakPolarHBondContact CA-O 3.37Å
1565	L	94.4	Very high	81.9	Confident	63.8 Å²	63.8	44.9 Å²	44.9	33%	0.334	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.8	175.7	-162.8	153.5	0	0	0	109.2	V1335 F1337 I1563 L1567 F1605 T1606	V1335-L1565 CarbonylContact O-C 3.55Å; V1335-L1565 WeakPolarHBondContact O-CA 3.35Å; F1337-L1565 HydrophobicContact CE2-CD1 4.24Å; F1337-L1565 HydrophobicContact CE2-CG 4.46Å; I1563-L1565 HydrophobicContact CG2-CD2 3.69Å; I1563-L1565 HydrophobicContact CG2-CG 4.03Å; L1565-L1567 HydrophobicContact CD2-CB 4.41Å; L1565-F1605 CarbonylContact O-C 3.53Å; L1565-F1605 VanDerWaalsContact O-CA 3.3Å; L1565-F1605 WeakPolarHBondContact O-CA 3.4Å; L1565-T1606 PolarHBondContact N-O 2.99Å; L1565-T1606 PolarHBondContact O-N 3.11Å
1566	Q	95.8	Very high	84.6	Confident	19.4 Å²	19.4	40.5 Å²	40.5	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.8	173.8	-170.6	173.1	-24.4	0	0	110.5	F1334 V1335 H1336 F1337 D1568 T1603 L1604 F1605	F1334-Q1566 HydrophobicContact CE2-CB 4.02Å; F1334-Q1566 HydrophobicContact CZ-CB 4.18Å; V1335-Q1566 PolarHBondContact O-N 3.1Å; H1336-Q1566 CarbonylContact C-O 3.57Å; H1336-Q1566 WeakPolarHBondContact CA-O 3.39Å; H1336-Q1566 HydrophobicContact CB-CB 4.44Å; H1336-Q1566 PolarHBondContact NE2-NE2 3.05Å; F1337-Q1566 PolarHBondContact N-O 2.93Å; Q1566-D1568 WeakPolarHBondContact CG-OD1 3.46Å; Q1566-D1568 PolarHBondContact NE2-OD1 3.14Å; Q1566-D1568 PolarHBondContact NE2-OD2 2.86Å; Q1566-D1568 VanDerWaalsContact NE2-OD2 3.14Å; Q1566-T1603 HydrophobicContact CG-CG2 4.15Å; Q1566-L1604 CarbonylContact C-O 3.54Å; Q1566-L1604 WeakPolarHBondContact CA-O 3.32Å; Q1566-F1605 HydrophobicContact CB-CD2 3.87Å; Q1566-F1605 HydrophobicContact CB-CE2 4.47Å; Q1566-F1605 HydrophobicContact CG-CD2 4.12Å
1567	L	95	Very high	86.7	Confident	36.2 Å²	36.2	39.9 Å²	39.9	19%	0.19	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	104.9	177.8	170	61.2	0	0	0	109.1	F1337 I1339 L1565 I1569 T1603 L1604	F1337-L1567 HydrophobicContact CB-CD1 3.7Å; F1337-L1567 HydrophobicContact CG-CD1 4.46Å; I1339-L1567 HydrophobicContact CD1-CD1 3.51Å; I1339-L1567 VanDerWaalsContact CD1-CD1 3.44Å; I1339-L1567 HydrophobicContact CG1-CD1 3.87Å; L1565-L1567 HydrophobicContact CD2-CB 4.41Å; L1567-I1569 HydrophobicContact CD1-CD1 4.26Å; L1567-I1569 HydrophobicContact CD1-CG1 3.9Å; L1567-I1569 HydrophobicContact CD2-CD1 4.13Å; L1567-I1569 HydrophobicContact CD2-CG1 4.43Å; L1567-I1569 HydrophobicContact CG-CD1 4.09Å; L1567-I1569 HydrophobicContact CG-CG1 3.95Å; L1567-T1603 CarbonylContact O-C 3.55Å; L1567-T1603 WeakPolarHBondContact O-CA 3.37Å; L1567-L1604 HydrophobicContact CB-CB 4.28Å; L1567-L1604 HydrophobicContact CD2-CD2 4.3Å; L1567-L1604 PolarHBondContact N-O 3.16Å; L1567-L1604 PolarHBondContact O-N 3.01Å
1568	D	95.1	Very high	88.1	Confident	25.4 Å²	25.4	36.6 Å²	36.6	14%	0.136	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.2	172.6	-56.8	-9	0	0	0	109	H1336 F1337 K1338 I1339 Q1566 T1602 T1603	H1336-D1568 IonicContact CD2-OD1 2.9Å; H1336-D1568 IonicContact CD2-OD2 3Å; H1336-D1568 IonicContact CE1-OD1 2.66Å; H1336-D1568 IonicContact CE1-OD2 3.12Å; H1336-D1568 PolarHBondContact CE1-OD2 3.07Å; H1336-D1568 IonicContact NE2-OD1 3.2Å; H1336-D1568 PolarHBondContact NE2-OD1 3.31Å; H1336-D1568 VanDerWaalsContact NE2-OD1 3.09Å; H1336-D1568 IonicContact NE2-OD2 3.45Å; H1336-D1568 PolarHBondContact NE2-OD2 2.81Å; F1337-D1568 PolarHBondContact O-N 3.11Å; K1338-D1568 WeakPolarHBondContact CE-OD2 3.33Å; K1338-D1568 HydrophobicContact CG-CB 4.35Å; K1338-D1568 IonicContact NZ-OD2 3.25Å; K1338-D1568 PolarHBondContact NZ-OD2 3.09Å; I1339-D1568 PolarHBondContact N-O 2.95Å; Q1566-D1568 WeakPolarHBondContact CG-OD1 3.46Å; Q1566-D1568 PolarHBondContact NE2-OD1 3.14Å; Q1566-D1568 PolarHBondContact NE2-OD2 2.86Å; Q1566-D1568 VanDerWaalsContact NE2-OD2 3.14Å; D1568-T1602 CarbonylContact C-O 3.52Å; D1568-T1602 WeakPolarHBondContact CA-O 3.41Å; D1568-T1603 WeakPolarHBondContact OD1-CG2 3.47Å
1569	I	94	Very high	88.6	Confident	12.4 Å²	12.4	38.4 Å²	38.4	6%	0.064	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116	176.9	-48.1	177.9	0	0	0	109.5	I1339 A1342 L1567 S1571 L1572 N1601 T1602	I1339-I1569 HydrophobicContact CB-CG1 4.32Å; I1339-I1569 HydrophobicContact CB-CG2 4.47Å; I1339-I1569 HydrophobicContact CG2-CG2 4.49Å; I1339-I1569 CarbonylContact O-C 3.47Å; I1339-I1569 VanDerWaalsContact O-CA 3.29Å; I1339-I1569 WeakPolarHBondContact O-CA 3.33Å; A1342-I1569 HydrophobicContact CB-CD1 4.15Å; A1342-I1569 HydrophobicContact CB-CG2 3.71Å; L1567-I1569 HydrophobicContact CD1-CD1 4.26Å; L1567-I1569 HydrophobicContact CD1-CG1 3.9Å; L1567-I1569 HydrophobicContact CD2-CD1 4.13Å; L1567-I1569 HydrophobicContact CD2-CG1 4.43Å; L1567-I1569 HydrophobicContact CG-CD1 4.09Å; L1567-I1569 HydrophobicContact CG-CG1 3.95Å; I1569-S1571 VanDerWaalsContact C-N 3.34Å; I1569-S1571 VanDerWaalsContact CG2-O 3.29Å; I1569-S1571 WeakPolarHBondContact CG2-O 3.4Å; I1569-S1571 PolarHBondContact O-N 2.81Å; I1569-L1572 HydrophobicContact CD1-CD1 4.48Å; I1569-L1572 HydrophobicContact CG2-CB 4.07Å; I1569-N1601 CarbonylContact O-C 3.52Å; I1569-N1601 WeakPolarHBondContact O-CA 3.16Å; I1569-N1601 PolarHBondContact O-N 3.48Å; I1569-T1602 PolarHBondContact N-O 3.11Å; I1569-T1602 PolarHBondContact O-N 3.34Å
1570	N	93	Very high	88.3	Confident	69.4 Å²	69.4	40.3 Å²	40.3	37%	0.371	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-36.7	-178.1	-59.5	-10	0	0	0	111.9	E1201 I1339 P1340 S1600 N1601	E1201-N1570 PolarHBondContact OE2-ND2 3.2Å; E1201-N1570 VanDerWaalsContact OE2-ND2 3.16Å; I1339-N1570 PolarHBondContact O-N 3.15Å; P1340-N1570 WeakPolarHBondContact O-CB 3.42Å; N1570-S1600 CarbonylContact O-C 3.5Å; N1570-S1600 VanDerWaalsContact O-CA 3.29Å; N1570-S1600 WeakPolarHBondContact O-CA 3.32Å; N1570-N1601 PolarHBondContact O-N 3.15Å
1571	S	92.7	Very high	87.1	Confident	52.4 Å²	52.4	40.1 Å²	40.1	37%	0.366	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	121.5	176.7	-175.9	0	0	0	0	110.5	P1340 V1341 A1342 I1569	P1340-S1571 PolarHBondContact O-N 3.12Å; P1340-S1571 VanDerWaalsContact O-N 3.09Å; V1341-S1571 CarbonylContact C-O 3.49Å; V1341-S1571 VanDerWaalsContact CA-O 3.29Å; V1341-S1571 WeakPolarHBondContact CA-O 3.37Å; A1342-S1571 PolarHBondContact N-O 3.09Å; I1569-S1571 VanDerWaalsContact C-N 3.34Å; I1569-S1571 VanDerWaalsContact CG2-O 3.29Å; I1569-S1571 WeakPolarHBondContact CG2-O 3.4Å; I1569-S1571 PolarHBondContact O-N 2.81Å
1572	L	92.9	Very high	85.4	Confident	27.4 Å²	27.4	46.3 Å²	46.3	14%	0.143	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.3	178.6	171.3	63.9	0	0	0	109.4	A1342 I1344 I1569 N1598 A1599 T1602	A1342-L1572 HydrophobicContact CB-CD1 3.74Å; A1342-L1572 CarbonylContact O-C 3.56Å; A1342-L1572 WeakPolarHBondContact O-CA 3.38Å; I1344-L1572 HydrophobicContact CD1-CD1 3.9Å; I1344-L1572 HydrophobicContact CG1-CD1 4.16Å; I1569-L1572 HydrophobicContact CD1-CD1 4.48Å; I1569-L1572 HydrophobicContact CG2-CB 4.07Å; L1572-N1598 CarbonylContact O-C 3.54Å; L1572-N1598 WeakPolarHBondContact O-CA 3.37Å; L1572-A1599 HydrophobicContact CB-CB 4.13Å; L1572-A1599 HydrophobicContact CD2-CB 4.3Å; L1572-A1599 HydrophobicContact CG-CB 4.46Å; L1572-A1599 PolarHBondContact N-O 2.91Å; L1572-A1599 PolarHBondContact O-N 3.18Å; L1572-T1602 HydrophobicContact CD2-CG2 4.48Å
1573	Q	93.1	Very high	83.5	Confident	70 Å²	70	46.6 Å²	46.6	33%	0.327	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.3	170.7	179.6	170	40	0	0	109.5	A1342 E1343 I1344 I1596 I1597 N1598	A1342-Q1573 PolarHBondContact O-N 3.13Å; E1343-Q1573 CarbonylContact C-O 3.53Å; E1343-Q1573 WeakPolarHBondContact CA-O 3.36Å; I1344-Q1573 PolarHBondContact N-O 2.97Å; Q1573-I1596 HydrophobicContact CG-CG2 4.03Å; Q1573-I1597 CarbonylContact C-O 3.58Å; Q1573-I1597 WeakPolarHBondContact CA-O 3.34Å; Q1573-N1598 WeakPolarHBondContact CG-OD1 3.25Å; Q1573-N1598 PolarHBondContact NE2-OD1 2.81Å
1574	L	92	Very high	81.3	Confident	34.8 Å²	34.8	45.7 Å²	45.7	18%	0.182	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114.3	173.2	168.1	62.4	0	0	0	109.2	I1344 I1346 I1596 I1597	I1344-L1574 HydrophobicContact CB-CD1 3.84Å; I1344-L1574 HydrophobicContact CG2-CD1 3.63Å; I1344-L1574 CarbonylContact O-C 3.4Å; I1344-L1574 WeakPolarHBondContact O-CA 3.36Å; I1346-L1574 HydrophobicContact CD1-CD1 3.92Å; I1346-L1574 HydrophobicContact CG1-CD1 4.07Å; L1574-I1596 CarbonylContact O-C 3.55Å; L1574-I1596 WeakPolarHBondContact O-CA 3.36Å; L1574-I1597 HydrophobicContact CB-CB 4.28Å; L1574-I1597 HydrophobicContact CD2-CD1 4.3Å; L1574-I1597 PolarHBondContact N-O 3.06Å; L1574-I1597 PolarHBondContact O-N 2.96Å
1575	T	90.6	Very high	78.7	Confident	20.4 Å²	20.4	50.4 Å²	50.4	13%	0.125	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.1	177.4	-59.4	0	0	0	0	109.8	I1344 V1345 I1346 F1577 V1595 I1596	I1344-T1575 PolarHBondContact O-N 3.17Å; V1345-T1575 WeakPolarHBondContact CA-O 3.32Å; I1346-T1575 PolarHBondContact N-O 3.02Å; T1575-F1577 HydrophobicContact CG2-CE2 4.21Å; T1575-F1577 HydrophobicContact CG2-CZ 4.43Å; T1575-V1595 WeakPolarHBondContact CA-O 3.44Å; T1575-I1596 HydrophobicContact CG2-CD1 4.47Å; T1575-I1596 HydrophobicContact CG2-CG1 4.11Å
1576	T	88.4	Confident	76.2	Confident	0.4 Å²	0.4	52.8 Å²	52.8	0%	0.002	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.3	-179.4	-67.7	0	0	0	0	110.4	I1346 T1594 V1595 F1785 L1788 Y1789	I1346-T1576 HydrophobicContact CB-CG2 4.39Å; I1346-T1576 HydrophobicContact CG2-CG2 4.33Å; I1346-T1576 WeakPolarHBondContact O-CA 3.43Å; T1576-T1594 CarbonylContact O-C 3.54Å; T1576-T1594 VanDerWaalsContact O-CA 3.31Å; T1576-T1594 WeakPolarHBondContact O-CA 3.35Å; T1576-V1595 HydrophobicContact CG2-CB 3.9Å; T1576-V1595 PolarHBondContact N-O 3.05Å; T1576-V1595 PolarHBondContact O-N 2.85Å; T1576-F1785 HydrophobicContact CG2-CD2 4.25Å; T1576-F1785 HydrophobicContact CG2-CE2 4.24Å; T1576-L1788 HydrophobicContact CG2-CD1 3.31Å; T1576-Y1789 HydrophobicContact CG2-CE2 4.1Å; T1576-Y1789 PolarHBondContact OG1-OH 3.13Å; T1576-Y1789 VanDerWaalsContact OG1-OH 3.13Å
1577	F	85.6	Confident	73.7	Confident	72 Å²	72	55.4 Å²	55.4	32%	0.316	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128	175.4	-65.1	-96.5	0	0	0	110	V1345 I1346 E1347 T1575 T1594 L1788	V1345-F1577 HydrophobicContact CG1-CD2 4.42Å; V1345-F1577 HydrophobicContact CG1-CE2 3.84Å; I1346-F1577 WeakPolarHBondContact O-CD2 3.33Å; I1346-F1577 PolarHBondContact O-N 3.03Å; I1346-F1577 VanDerWaalsContact O-N 3.14Å; E1347-F1577 HydrophobicContact CB-CD2 4.39Å; E1347-F1577 HydrophobicContact CG-CD2 4.13Å; E1347-F1577 HydrophobicContact CG-CE2 4.29Å; T1575-F1577 HydrophobicContact CG2-CE2 4.21Å; T1575-F1577 HydrophobicContact CG2-CZ 4.43Å; F1577-T1594 HydrophobicContact CD1-CG2 3.48Å; F1577-T1594 VanDerWaalsContact CD1-CG2 3.47Å; F1577-T1594 HydrophobicContact CE1-CG2 3.6Å; F1577-T1594 HydrophobicContact CG-CG2 4.19Å; F1577-T1594 HydrophobicContact CZ-CG2 4.36Å; F1577-L1788 WeakPolarHBondContact O-CD1 3.14Å
1578	L	80.6	Confident	71.1	Confident	15.8 Å²	15.8	57.1 Å²	57.1	8%	0.083	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-80.5	143.2	-179.1	-62.2	-177.1	0	0	0	111.2	E1580 E1593 V1595 Y1630 W1781 R1784 F1785 L1788	L1578-E1580 PolarHBondContact O-N 3.49Å; L1578-E1593 HydrophobicContact CB-CB 4.12Å; L1578-E1593 HydrophobicContact CD1-CB 4.2Å; L1578-E1593 HydrophobicContact CG-CB 4.42Å; L1578-E1593 PolarHBondContact N-O 3.06Å; L1578-V1595 HydrophobicContact CD1-CG2 4.12Å; L1578-V1595 HydrophobicContact CD2-CG2 4.07Å; L1578-V1595 HydrophobicContact CG-CG2 4.21Å; L1578-Y1630 HydrophobicContact CD1-CD2 4.46Å; L1578-Y1630 HydrophobicContact CD1-CE2 3.94Å; L1578-W1781 HydrophobicContact CD1-CB 3.95Å; L1578-R1784 HydrophobicContact CD1-CB 4.16Å; L1578-R1784 HydrophobicContact CD2-CB 4.33Å; L1578-F1785 HydrophobicContact CD2-CB 3.95Å; L1578-F1785 HydrophobicContact CD2-CD2 4.36Å; L1578-L1788 HydrophobicContact CD2-CD1 3.95Å
1579	P	71	Confident	68.8	Low	58.2 Å²	58.2	59.9 Å²	59.9	38%	0.378	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-64	140.2	178.9	7.7	-6.4	0	0	0	111.2	S1581 R1784 L1788	P1579-S1581 PolarHBondContact O-N 3.19Å; P1579-S1581 VanDerWaalsContact O-N 3.16Å; P1579-R1784 HydrophobicContact CG-CB 4.43Å; P1579-R1784 VanDerWaalsContact O-CZ 3.28Å; P1579-R1784 PolarHBondContact O-NE 2.99Å; P1579-R1784 PolarHBondContact O-NH1 3.22Å; P1579-R1784 PolarHBondContact O-NH2 3.47Å; P1579-L1788 HydrophobicContact CG-CD2 4.1Å; P1579-L1788 HydrophobicContact CG-CG 4.22Å
1580	E	64.3	Low	66.8	Low	136.6 Å²	136.6	67.3 Å²	67.3	64%	0.638	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-53.8	127.1	179.8	-70.9	-171.5	168.3	0	0	110.7	L1578 S1582 R1590	L1578-E1580 PolarHBondContact O-N 3.49Å; E1580-S1582 PolarHBondContact O-N 2.8Å; E1580-R1590 IonicContact OE1-NH1 2.65Å; E1580-R1590 PolarHBondContact OE1-NH1 3.2Å; E1580-R1590 IonicContact OE2-NH1 3.62Å
1581	S	55.8	Low	65.1	Low	18.6 Å²	18.6	66.6 Å²	66.6	13%	0.13	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-71.5	133.5	172.5	67.1	0	0	0	0	110	P1579 S1583 S1584 R1784	P1579-S1581 PolarHBondContact O-N 3.19Å; P1579-S1581 VanDerWaalsContact O-N 3.16Å; S1581-S1583 WeakPolarHBondContact CB-OG 3.32Å; S1581-S1583 PolarHBondContact O-N 3.16Å; S1581-S1583 PolarHBondContact OG-N 3.06Å; S1581-S1583 PolarHBondContact OG-OG 3.2Å; S1581-S1584 PolarHBondContact O-N 2.95Å; S1581-S1584 VanDerWaalsContact O-N 3.11Å; S1581-S1584 PolarHBondContact O-OG 2.91Å; S1581-S1584 VanDerWaalsContact OG-CB 3.25Å; S1581-S1584 WeakPolarHBondContact OG-CB 3.44Å; S1581-S1584 PolarHBondContact OG-N 2.88Å; S1581-S1584 PolarHBondContact OG-OG 3.24Å; S1581-R1784 VanDerWaalsContact CB-NH2 3.33Å
1582	S	48.2	Very low	63.9	Low	131 Å²	131	66.3 Å²	66.3	92%	0.916	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-3.2	177.8	56.2	0	0	0	0	114.8	E1580	E1580-S1582 PolarHBondContact O-N 2.8Å
1583	S	45.8	Very low	63.1	Low	58.2 Å²	58.2	65.9 Å²	65.9	41%	0.407	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-7.5	178.1	51.8	0	0	0	0	115	S1581 S1585 N1739	S1581-S1583 WeakPolarHBondContact CB-OG 3.32Å; S1581-S1583 PolarHBondContact O-N 3.16Å; S1581-S1583 PolarHBondContact OG-N 3.06Å; S1581-S1583 PolarHBondContact OG-OG 3.2Å; S1583-S1585 VanDerWaalsContact C-N 3.31Å; S1583-S1585 PolarHBondContact O-N 3.02Å; S1583-N1739 PolarHBondContact OG-ND2 2.84Å; S1583-N1739 PolarHBondContact OG-OD1 3.02Å
1584	S	44.8	Very low	62.7	Low	36.4 Å²	36.4	63 Å²	63	26%	0.255	39%	0.386	S	S	.	.			trans	-84.2	3	-171.8	52	0	0	0	0	115.5	S1581 V1586	S1581-S1584 PolarHBondContact O-N 2.95Å; S1581-S1584 VanDerWaalsContact O-N 3.11Å; S1581-S1584 PolarHBondContact O-OG 2.91Å; S1581-S1584 VanDerWaalsContact OG-CB 3.25Å; S1581-S1584 WeakPolarHBondContact OG-CB 3.44Å; S1581-S1584 PolarHBondContact OG-N 2.88Å; S1581-S1584 PolarHBondContact OG-OG 3.24Å; S1584-V1586 VanDerWaalsContact C-N 3.33Å; S1584-V1586 PolarHBondContact O-N 3.17Å; S1584-V1586 VanDerWaalsContact O-N 3.07Å
1585	S	39.6	Very low	62.5	Low	99.6 Å²	99.6	61.4 Å²	61.4	70%	0.697	38%	0.377	S	S	*	.			trans	-82.3	37.1	-178.5	63.3	0	0	0	0	113.8	S1583 G1587	S1583-S1585 VanDerWaalsContact C-N 3.31Å; S1583-S1585 PolarHBondContact O-N 3.02Å; S1585-G1587 PolarHBondContact O-N 2.97Å; S1585-G1587 VanDerWaalsContact O-N 3.11Å
1586	V	41.7	Very low	62.5	Low	113.2 Å²	113.2	61.5 Å²	61.5	69%	0.686	38%	0.377	S	S	*	.	S	Bend	trans	-87.2	101	175.4	-173.9	0	0	0	0	109.6	S1584 G1588 I1589	S1584-V1586 VanDerWaalsContact C-N 3.33Å; S1584-V1586 PolarHBondContact O-N 3.17Å; S1584-V1586 VanDerWaalsContact O-N 3.07Å; V1586-G1588 PolarHBondContact O-N 3.45Å; V1586-I1589 PolarHBondContact O-N 2.88Å
1587	G	42.7	Very low	62.6	Low	74.6 Å²	74.6	62.4 Å²	62.4	77%	0.769	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.8	9.5	174.1	0	0	0	0	0	116.5	S1585 I1589	S1585-G1587 PolarHBondContact O-N 2.97Å; S1585-G1587 VanDerWaalsContact O-N 3.11Å; G1587-I1589 VanDerWaalsContact C-N 3.29Å; G1587-I1589 PolarHBondContact O-N 3.09Å
1588	G	42	Very low	63	Low	71.6 Å²	71.6	61.8 Å²	61.8	74%	0.738	38%	0.382	S	S	*	.	S	Bend	trans	79.2	-0.8	175.4	0	0	0	0	0	115.9	V1586 R1590	V1586-G1588 PolarHBondContact O-N 3.45Å; G1588-R1590 PolarHBondContact O-N 3.11Å
1589	I	45	Very low	63.5	Low	84.2 Å²	84.2	61.4 Å²	61.4	43%	0.432	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-80.9	118.9	175.5	-58.3	173.1	0	0	0	108.8	V1586 G1587 L1591 Q1634	V1586-I1589 PolarHBondContact O-N 2.88Å; G1587-I1589 VanDerWaalsContact C-N 3.29Å; G1587-I1589 PolarHBondContact O-N 3.09Å; I1589-L1591 HydrophobicContact CG2-CD2 4.34Å; I1589-Q1634 HydrophobicContact CG2-CG 3.91Å
1590	R	52	Low	64.5	Low	169 Å²	169	59.5 Å²	59.5	64%	0.638	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-85.8	119.5	171.2	-66.3	-169.5	-175.4	-165.7	2	110	E1580 G1588 N1635	E1580-R1590 IonicContact OE1-NH1 2.65Å; E1580-R1590 PolarHBondContact OE1-NH1 3.2Å; E1580-R1590 IonicContact OE2-NH1 3.62Å; G1588-R1590 PolarHBondContact O-N 3.11Å; R1590-N1635 HydrophobicContact CB-CB 4.28Å; R1590-N1635 PolarHBondContact O-N 3.27Å
1591	L	58.4	Low	65.9	Low	55 Å²	55	57.8 Å²	57.8	29%	0.288	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.8	172.6	-67.4	169.6	0	0	0	109.6	I1589 S1633 Q1634 I1922	I1589-L1591 HydrophobicContact CG2-CD2 4.34Å; L1591-S1633 CarbonylContact C-O 3.55Å; L1591-S1633 WeakPolarHBondContact CA-O 3.43Å; L1591-Q1634 HydrophobicContact CD2-CG 3.76Å; L1591-I1922 HydrophobicContact CD2-CD1 3.95Å
1592	T	66.7	Low	67.7	Low	44.6 Å²	44.6	57.2 Å²	57.2	27%	0.274	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	112.3	171	42.9	0	0	0	0	108.8	C1632 S1633 N1635	T1592-C1632 WeakPolarHBondContact O-CA 3.33Å; T1592-S1633 PolarHBondContact N-O 3Å; T1592-S1633 PolarHBondContact O-N 3.02Å; T1592-S1633 PolarHBondContact O-OG 2.97Å; T1592-S1633 PolarHBondContact OG1-O 2.88Å; T1592-S1633 VanDerWaalsContact OG1-O 3.07Å; T1592-S1633 PolarHBondContact OG1-OG 3.04Å; T1592-N1635 HydrophobicContact CG2-CB 4.14Å
1593	E	77.5	Confident	70	Confident	18.8 Å²	18.8	52.1 Å²	52.1	9%	0.088	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.4	176.1	-64.7	179.5	168.4	0	0	109.6	L1578 Y1630 S1631 C1632 N1738 R1784	L1578-E1593 HydrophobicContact CB-CB 4.12Å; L1578-E1593 HydrophobicContact CD1-CB 4.2Å; L1578-E1593 HydrophobicContact CG-CB 4.42Å; L1578-E1593 PolarHBondContact N-O 3.06Å; E1593-Y1630 HydrophobicContact CB-CE2 4.18Å; E1593-Y1630 VanDerWaalsContact CD-OH 3.25Å; E1593-Y1630 HydrophobicContact CG-CE2 4.44Å; E1593-Y1630 VanDerWaalsContact CG-OH 3.27Å; E1593-Y1630 WeakPolarHBondContact CG-OH 3.34Å; E1593-Y1630 PolarHBondContact OE1-OH 3.05Å; E1593-Y1630 PolarHBondContact OE2-OH 2.92Å; E1593-S1631 WeakPolarHBondContact CA-O 3.3Å; E1593-C1632 HydrophobicContact CG-CB 4.36Å; E1593-N1738 PolarHBondContact OE1-ND2 3.3Å; E1593-R1784 IonicContact OE1-CZ 3.23Å; E1593-R1784 IonicContact OE1-NH1 2.99Å; E1593-R1784 PolarHBondContact OE1-NH1 3Å; E1593-R1784 IonicContact OE1-NH2 3.01Å; E1593-R1784 IonicContact OE2-CZ 2.93Å; E1593-R1784 IonicContact OE2-NH1 3.59Å; E1593-R1784 PolarHBondContact OE2-NH1 2.99Å; E1593-R1784 IonicContact OE2-NH2 3.74Å; E1593-R1784 PolarHBondContact OE2-NH2 3.05Å
1594	T	84.6	Confident	72.3	Confident	10.8 Å²	10.8	52 Å²	52	7%	0.066	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.7	-178.1	62.6	0	0	0	0	111.8	T1576 F1577 Y1630 S1631	T1576-T1594 CarbonylContact O-C 3.54Å; T1576-T1594 VanDerWaalsContact O-CA 3.31Å; T1576-T1594 WeakPolarHBondContact O-CA 3.35Å; F1577-T1594 HydrophobicContact CD1-CG2 3.48Å; F1577-T1594 VanDerWaalsContact CD1-CG2 3.47Å; F1577-T1594 HydrophobicContact CE1-CG2 3.6Å; F1577-T1594 HydrophobicContact CG-CG2 4.19Å; F1577-T1594 HydrophobicContact CZ-CG2 4.36Å; T1594-Y1630 CarbonylContact O-C 3.51Å; T1594-Y1630 WeakPolarHBondContact O-CA 3.24Å; T1594-Y1630 WeakPolarHBondContact O-CD2 3.34Å; T1594-S1631 PolarHBondContact N-O 2.96Å; T1594-S1631 PolarHBondContact O-N 3.15Å; T1594-S1631 VanDerWaalsContact OG1-CB 3.31Å; T1594-S1631 WeakPolarHBondContact OG1-CB 3.47Å; T1594-S1631 PolarHBondContact OG1-OG 3.03Å
1595	V	87	Confident	74.8	Confident	0.4 Å²	0.4	50.8 Å²	50.8	0%	0.002	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.2	167.5	179.4	0	0	0	0	107.9	T1575 T1576 L1578 I1597 I1628 S1629 Y1630 W1781 F1785	T1575-V1595 WeakPolarHBondContact CA-O 3.44Å; T1576-V1595 HydrophobicContact CG2-CB 3.9Å; T1576-V1595 PolarHBondContact N-O 3.05Å; T1576-V1595 PolarHBondContact O-N 2.85Å; L1578-V1595 HydrophobicContact CD1-CG2 4.12Å; L1578-V1595 HydrophobicContact CD2-CG2 4.07Å; L1578-V1595 HydrophobicContact CG-CG2 4.21Å; V1595-I1597 HydrophobicContact CG1-CG1 4.29Å; V1595-I1628 HydrophobicContact CG1-CG2 3.97Å; V1595-S1629 WeakPolarHBondContact CA-O 3.33Å; V1595-Y1630 HydrophobicContact CG2-CD2 4.17Å; V1595-W1781 HydrophobicContact CG1-CZ3 4.42Å; V1595-W1781 HydrophobicContact CG2-CE3 3.74Å; V1595-W1781 HydrophobicContact CG2-CZ3 4Å; V1595-F1785 HydrophobicContact CB-CD2 3.8Å; V1595-F1785 HydrophobicContact CB-CE2 4.08Å; V1595-F1785 HydrophobicContact CG1-CD2 3.84Å; V1595-F1785 HydrophobicContact CG1-CE2 3.81Å; V1595-F1785 HydrophobicContact CG1-CZ 4.48Å; V1595-F1785 HydrophobicContact CG2-CB 4.41Å; V1595-F1785 HydrophobicContact CG2-CD2 3.85Å; V1595-F1785 HydrophobicContact CG2-CE2 4.47Å; V1595-F1785 HydrophobicContact CG2-CG 4.4Å
1596	I	90.3	Very high	77.4	Confident	21.8 Å²	21.8	47.4 Å²	47.4	11%	0.112	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118	179.6	-64	168.4	0	0	0	107.7	Q1573 L1574 T1575 N1598 S1629 L1658	Q1573-I1596 HydrophobicContact CG-CG2 4.03Å; L1574-I1596 CarbonylContact O-C 3.55Å; L1574-I1596 WeakPolarHBondContact O-CA 3.36Å; T1575-I1596 HydrophobicContact CG2-CD1 4.47Å; T1575-I1596 HydrophobicContact CG2-CG1 4.11Å; I1596-N1598 WeakPolarHBondContact CG2-OD1 3.33Å; I1596-S1629 PolarHBondContact N-O 3.24Å; I1596-S1629 PolarHBondContact O-N 2.9Å; I1596-S1629 PolarHBondContact O-OG 2.8Å; I1596-L1658 HydrophobicContact CB-CD2 4.24Å; I1596-L1658 HydrophobicContact CD1-CD2 3.63Å; I1596-L1658 VanDerWaalsContact CD1-CD2 3.46Å; I1596-L1658 HydrophobicContact CD1-CG 4.41Å; I1596-L1658 HydrophobicContact CG2-CD2 4.44Å
1597	I	91.8	Very high	79.9	Confident	20.8 Å²	20.8	42.4 Å²	42.4	11%	0.107	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.7	176.2	-57.4	-178	0	0	0	107.5	Q1573 L1574 V1595 F1626 D1627 I1628 F1785	Q1573-I1597 CarbonylContact C-O 3.58Å; Q1573-I1597 WeakPolarHBondContact CA-O 3.34Å; L1574-I1597 HydrophobicContact CB-CB 4.28Å; L1574-I1597 HydrophobicContact CD2-CD1 4.3Å; L1574-I1597 PolarHBondContact N-O 3.06Å; L1574-I1597 PolarHBondContact O-N 2.96Å; V1595-I1597 HydrophobicContact CG1-CG1 4.29Å; I1597-F1626 HydrophobicContact CG2-CD2 4.2Å; I1597-F1626 HydrophobicContact CG2-CE2 3.44Å; I1597-F1626 VanDerWaalsContact CG2-CE2 3.44Å; I1597-F1626 HydrophobicContact CG2-CZ 3.94Å; I1597-D1627 WeakPolarHBondContact CA-O 3.35Å; I1597-I1628 HydrophobicContact CD1-CD1 4.44Å; I1597-I1628 HydrophobicContact CG1-CD1 4.41Å; I1597-I1628 HydrophobicContact CG1-CG1 4.13Å; I1597-I1628 HydrophobicContact CG1-CG2 4.22Å; I1597-I1628 HydrophobicContact CG2-CG1 4.42Å; I1597-F1785 HydrophobicContact CD1-CE1 4.39Å; I1597-F1785 HydrophobicContact CD1-CE2 4.22Å; I1597-F1785 HydrophobicContact CD1-CZ 3.66Å
1598	N	92.3	Very high	82.2	Confident	58.4 Å²	58.4	41.8 Å²	41.8	31%	0.312	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.5	175.7	-62.3	-38.3	0	0	0	108.8	L1572 Q1573 I1596 D1627	L1572-N1598 CarbonylContact O-C 3.54Å; L1572-N1598 WeakPolarHBondContact O-CA 3.37Å; Q1573-N1598 WeakPolarHBondContact CG-OD1 3.25Å; Q1573-N1598 PolarHBondContact NE2-OD1 2.81Å; I1596-N1598 WeakPolarHBondContact CG2-OD1 3.33Å; N1598-D1627 HydrophobicContact CB-CB 4.43Å; N1598-D1627 PolarHBondContact N-O 3.06Å; N1598-D1627 PolarHBondContact O-N 3.04Å
1599	A	92.8	Very high	84.4	Confident	7.8 Å²	7.8	39.3 Å²	39.3	6%	0.064	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.9	179.7	0	0	0	0	0	109.9	L1572 V1623 E1625 F1626	L1572-A1599 HydrophobicContact CB-CB 4.13Å; L1572-A1599 HydrophobicContact CD2-CB 4.3Å; L1572-A1599 HydrophobicContact CG-CB 4.46Å; L1572-A1599 PolarHBondContact N-O 2.91Å; L1572-A1599 PolarHBondContact O-N 3.18Å; A1599-V1623 HydrophobicContact CB-CG1 3.67Å; A1599-E1625 CarbonylContact C-O 3.47Å; A1599-E1625 VanDerWaalsContact CA-O 3.28Å; A1599-E1625 WeakPolarHBondContact CA-O 3.36Å; A1599-F1626 HydrophobicContact CB-CD2 4.3Å
1600	S	92.1	Very high	86.4	Confident	18.8 Å²	18.8	36.3 Å²	36.3	13%	0.131	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.9	176.4	87	0	0	0	0	111.3	N1570 T1602 G1624 E1625	N1570-S1600 CarbonylContact O-C 3.5Å; N1570-S1600 VanDerWaalsContact O-CA 3.29Å; N1570-S1600 WeakPolarHBondContact O-CA 3.32Å; S1600-T1602 VanDerWaalsContact C-N 3.31Å; S1600-T1602 PolarHBondContact O-N 3.02Å; S1600-T1602 VanDerWaalsContact O-N 3.13Å; S1600-G1624 WeakPolarHBondContact O-CA 3.39Å; S1600-G1624 PolarHBondContact O-N 3.03Å; S1600-E1625 VanDerWaalsContact CB-OE2 3.24Å; S1600-E1625 WeakPolarHBondContact CB-OE2 3.37Å; S1600-E1625 PolarHBondContact N-O 3.22Å; S1600-E1625 PolarHBondContact O-N 3.08Å; S1600-E1625 WeakPolarHBondContact OG-CB 3.34Å; S1600-E1625 WeakPolarHBondContact OG-CG 3.36Å; S1600-E1625 PolarHBondContact OG-N 2.98Å; S1600-E1625 PolarHBondContact OG-OE2 3.13Å
1601	N	92.7	Very high	87.9	Confident	101 Å²	101	30.8 Å²	30.8	54%	0.54	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.2	49.8	178.6	-53.8	-59	0	0	0	113.1	I1569 N1570 G1624	I1569-N1601 CarbonylContact O-C 3.52Å; I1569-N1601 WeakPolarHBondContact O-CA 3.16Å; I1569-N1601 PolarHBondContact O-N 3.48Å; N1570-N1601 PolarHBondContact O-N 3.15Å; N1601-G1624 PolarHBondContact O-N 3.22Å; N1601-G1624 VanDerWaalsContact O-N 3.07Å
1602	T	94.2	Very high	89	Confident	5.4 Å²	5.4	30.9 Å²	30.9	3%	0.033	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.7	178.2	-58.8	0	0	0	0	110.1	D1568 I1569 L1572 S1600 M1621 E1622 V1623	D1568-T1602 CarbonylContact C-O 3.52Å; D1568-T1602 WeakPolarHBondContact CA-O 3.41Å; I1569-T1602 PolarHBondContact N-O 3.11Å; I1569-T1602 PolarHBondContact O-N 3.34Å; L1572-T1602 HydrophobicContact CD2-CG2 4.48Å; S1600-T1602 VanDerWaalsContact C-N 3.31Å; S1600-T1602 PolarHBondContact O-N 3.02Å; S1600-T1602 VanDerWaalsContact O-N 3.13Å; T1602-M1621 HydrophobicContact CG2-CE 3.98Å; T1602-M1621 HydrophobicContact CG2-CG 4.14Å; T1602-M1621 HydrophobicContact CG2-SD 4.38Å; T1602-E1622 CarbonylContact C-O 3.49Å; T1602-E1622 VanDerWaalsContact CA-O 3.26Å; T1602-E1622 WeakPolarHBondContact CA-O 3.35Å; T1602-V1623 HydrophobicContact CG2-CG2 4.08Å
1603	T	95.2	Very high	89.8	Confident	24 Å²	24	32.1 Å²	32.1	15%	0.147	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.2	166.2	-36.4	0	0	0	0	109	R1324 Q1566 L1567 D1568 M1621 E1622	R1324-T1603 VanDerWaalsContact NH1-CG2 3.26Å; R1324-T1603 PolarHBondContact NH1-OG1 3.07Å; Q1566-T1603 HydrophobicContact CG-CG2 4.15Å; L1567-T1603 CarbonylContact O-C 3.55Å; L1567-T1603 WeakPolarHBondContact O-CA 3.37Å; D1568-T1603 WeakPolarHBondContact OD1-CG2 3.47Å; T1603-M1621 CarbonylContact O-C 3.56Å; T1603-M1621 VanDerWaalsContact O-CA 3.24Å; T1603-M1621 WeakPolarHBondContact O-CA 3.46Å; T1603-M1621 WeakPolarHBondContact O-CG 3.24Å; T1603-E1622 PolarHBondContact N-O 3.06Å; T1603-E1622 PolarHBondContact O-N 2.91Å
1604	L	95.4	Very high	90.1	Very high	54.8 Å²	54.8	34.7 Å²	34.7	29%	0.287	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.6	167.8	175.5	74.2	0	0	0	108	Q1566 L1567 T1606 V1619 E1620 M1621	Q1566-L1604 CarbonylContact C-O 3.54Å; Q1566-L1604 WeakPolarHBondContact CA-O 3.32Å; L1567-L1604 HydrophobicContact CB-CB 4.28Å; L1567-L1604 HydrophobicContact CD2-CD2 4.3Å; L1567-L1604 PolarHBondContact N-O 3.16Å; L1567-L1604 PolarHBondContact O-N 3.01Å; L1604-T1606 HydrophobicContact CG-CG2 4.43Å; L1604-V1619 HydrophobicContact CD1-CG1 4.06Å; L1604-E1620 WeakPolarHBondContact CA-O 3.32Å; L1604-M1621 HydrophobicContact CD1-CB 4.16Å; L1604-M1621 HydrophobicContact CD1-CG 4.29Å; L1604-M1621 HydrophobicContact CD1-SD 4.47Å
1605	F	96.2	Very high	90.2	Very high	12 Å²	12	36.6 Å²	36.6	5%	0.053	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.5	176.3	179.3	-87.9	0	0	0	110.4	Y1323 R1324 A1327 F1334 C1564 L1565 Q1566 E1607 V1619 E1620	Y1323-F1605 AromaticContact CE1-CD1 3.93Å; Y1323-F1605 HydrophobicContact CE1-CD1 3.93Å; Y1323-F1605 AromaticContact CE1-CE1 3.81Å; Y1323-F1605 HydrophobicContact CE1-CE1 3.81Å; Y1323-F1605 AromaticContact CZ-CE1 3.99Å; R1324-F1605 HydrophobicContact CB-CD2 4.3Å; R1324-F1605 HydrophobicContact CB-CE2 4.3Å; R1324-F1605 HydrophobicContact CG-CB 3.97Å; R1324-F1605 HydrophobicContact CG-CD1 4.01Å; R1324-F1605 HydrophobicContact CG-CD2 3.7Å; R1324-F1605 HydrophobicContact CG-CE1 4.41Å; R1324-F1605 HydrophobicContact CG-CE2 4.13Å; R1324-F1605 HydrophobicContact CG-CG 3.65Å; R1324-F1605 HydrophobicContact CG-CZ 4.44Å; A1327-F1605 HydrophobicContact CB-CE1 3.96Å; A1327-F1605 HydrophobicContact CB-CZ 3.71Å; F1334-F1605 HydrophobicContact CE2-CE2 4.14Å; C1564-F1605 HydrophobicContact CB-CE2 4.12Å; C1564-F1605 HydrophobicContact CB-CZ 3.85Å; L1565-F1605 CarbonylContact O-C 3.53Å; L1565-F1605 VanDerWaalsContact O-CA 3.3Å; L1565-F1605 WeakPolarHBondContact O-CA 3.4Å; Q1566-F1605 HydrophobicContact CB-CD2 3.87Å; Q1566-F1605 HydrophobicContact CB-CE2 4.47Å; Q1566-F1605 HydrophobicContact CG-CD2 4.12Å; F1605-E1607 HydrophobicContact CE1-CB 4.08Å; F1605-E1607 HydrophobicContact CZ-CB 4.38Å; F1605-V1619 CarbonylContact O-C 3.58Å; F1605-V1619 WeakPolarHBondContact O-CA 3.35Å; F1605-E1620 HydrophobicContact CB-CB 4.27Å; F1605-E1620 HydrophobicContact CB-CG 3.86Å; F1605-E1620 HydrophobicContact CD1-CG 4.13Å; F1605-E1620 HydrophobicContact CG-CG 4.37Å; F1605-E1620 PolarHBondContact N-O 3.03Å; F1605-E1620 PolarHBondContact O-N 3Å
1606	T	94.7	Very high	90.3	Very high	28.6 Å²	28.6	37.6 Å²	37.6	18%	0.175	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	127.7	-179.4	-48.7	0	0	0	0	109.7	C1564 L1565 L1604 L1608 Y1618 V1619	C1564-T1606 CarbonylContact C-O 3.51Å; C1564-T1606 VanDerWaalsContact CA-O 3.27Å; C1564-T1606 WeakPolarHBondContact CA-O 3.37Å; L1565-T1606 PolarHBondContact N-O 2.99Å; L1565-T1606 PolarHBondContact O-N 3.11Å; L1604-T1606 HydrophobicContact CG-CG2 4.43Å; T1606-L1608 HydrophobicContact CG2-CD2 3.81Å; T1606-L1608 HydrophobicContact CG2-CG 4.18Å; T1606-Y1618 CarbonylContact C-O 3.54Å; T1606-Y1618 WeakPolarHBondContact CA-O 3.41Å; T1606-V1619 HydrophobicContact CG2-CB 4.46Å; T1606-V1619 HydrophobicContact CG2-CG1 4.08Å; T1606-V1619 HydrophobicContact CG2-CG2 4.02Å
1607	E	93.6	Very high	90.4	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.033	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.2	173.5	179.6	178.6	-154.8	0	0	109.5	Y1323 S1561 F1605 H1610 N1617 Y1618	Y1323-E1607 WeakPolarHBondContact CE2-OE2 3.33Å; Y1323-E1607 VanDerWaalsContact OH-CB 3.31Å; Y1323-E1607 WeakPolarHBondContact OH-CB 3.38Å; Y1323-E1607 PolarHBondContact OH-OE2 3.15Å; Y1323-E1607 VanDerWaalsContact OH-OE2 3.06Å; S1561-E1607 VanDerWaalsContact CB-OE1 3.27Å; S1561-E1607 WeakPolarHBondContact CB-OE1 3.37Å; S1561-E1607 PolarHBondContact OG-OE1 3.19Å; F1605-E1607 HydrophobicContact CE1-CB 4.08Å; F1605-E1607 HydrophobicContact CZ-CB 4.38Å; E1607-H1610 VanDerWaalsContact CD-ND1 3.27Å; E1607-H1610 HydrophobicContact CG-CB 4.36Å; E1607-H1610 IonicContact OE1-CE1 3.13Å; E1607-H1610 IonicContact OE1-CG 2.73Å; E1607-H1610 IonicContact OE1-ND1 3.14Å; E1607-H1610 PolarHBondContact OE1-ND1 3.08Å; E1607-H1610 IonicContact OE2-CE1 3.41Å; E1607-H1610 IonicContact OE2-CG 3.17Å; E1607-H1610 IonicContact OE2-ND1 3.2Å; E1607-H1610 PolarHBondContact OE2-ND1 2.96Å; E1607-N1617 WeakPolarHBondContact O-CA 3.41Å; E1607-Y1618 PolarHBondContact N-O 3.03Å; E1607-Y1618 PolarHBondContact O-N 3.09Å
1608	L	91.7	Very high	90.5	Very high	63.4 Å²	63.4	37.9 Å²	37.9	33%	0.332	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.6	178.2	-58.8	-179.5	0	0	0	110.8	S1562 I1563 T1606 N1617	S1562-L1608 WeakPolarHBondContact CB-O 3.48Å; S1562-L1608 PolarHBondContact N-O 2.94Å; S1562-L1608 VanDerWaalsContact N-O 3.1Å; I1563-L1608 HydrophobicContact CB-CB 4.37Å; I1563-L1608 HydrophobicContact CB-CD1 4.34Å; I1563-L1608 HydrophobicContact CD1-CD1 4.5Å; I1563-L1608 PolarHBondContact N-O 2.9Å; I1563-L1608 PolarHBondContact O-N 2.96Å; T1606-L1608 HydrophobicContact CG2-CD2 3.81Å; T1606-L1608 HydrophobicContact CG2-CG 4.18Å; L1608-N1617 VanDerWaalsContact CA-OD1 3.31Å; L1608-N1617 WeakPolarHBondContact CA-OD1 3.39Å; L1608-N1617 HydrophobicContact CD2-CB 4.25Å
1609	S	88.7	Confident	90.7	Very high	19.6 Å²	19.6	37 Å²	37	14%	0.137	21%	0.21	C	C	.	.	S	Bend	trans	55.9	57.2	-176.9	-41.8	0	0	0	0	113.8	S1561 S1562 N1611 S1612 N1613 L1616 N1617	S1561-S1609 WeakPolarHBondContact CA-O 3.35Å; S1562-S1609 WeakPolarHBondContact CB-OG 3.47Å; S1562-S1609 VanDerWaalsContact OG-CB 3.27Å; S1562-S1609 WeakPolarHBondContact OG-CB 3.36Å; S1562-S1609 PolarHBondContact OG-OG 3.08Å; S1609-N1611 PolarHBondContact O-N 3.17Å; S1609-S1612 WeakPolarHBondContact O-CA 3.41Å; S1609-S1612 PolarHBondContact O-N 3.13Å; S1609-S1612 VanDerWaalsContact O-N 3.08Å; S1609-N1613 CarbonylContact C-O 3.54Å; S1609-N1613 VanDerWaalsContact CA-O 3.24Å; S1609-N1613 WeakPolarHBondContact CA-O 3.37Å; S1609-L1616 CarbonylContact C-O 3.53Å; S1609-L1616 WeakPolarHBondContact CA-O 3.45Å; S1609-L1616 PolarHBondContact N-O 2.91Å; S1609-N1617 PolarHBondContact N-OD1 3.07Å
1610	H	86.7	Confident	90.7	Very high	20.6 Å²	20.6	37.6 Å²	37.6	10%	0.095	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-53.6	132	-177.5	176.5	83.8	0	0	0	111.8	F1289 S1561 E1607 S1612 N1613 L1616 Y1618	F1289-H1610 PolarHBondContact O-CE1 3.17Å; S1561-H1610 WeakPolarHBondContact OG-CA 3.36Å; E1607-H1610 VanDerWaalsContact CD-ND1 3.27Å; E1607-H1610 HydrophobicContact CG-CB 4.36Å; E1607-H1610 IonicContact OE1-CE1 3.13Å; E1607-H1610 IonicContact OE1-CG 2.73Å; E1607-H1610 IonicContact OE1-ND1 3.14Å; E1607-H1610 PolarHBondContact OE1-ND1 3.08Å; E1607-H1610 IonicContact OE2-CE1 3.41Å; E1607-H1610 IonicContact OE2-CG 3.17Å; E1607-H1610 IonicContact OE2-ND1 3.2Å; E1607-H1610 PolarHBondContact OE2-ND1 2.96Å; H1610-S1612 VanDerWaalsContact C-N 3.27Å; H1610-S1612 PolarHBondContact O-N 3.16Å; H1610-N1613 WeakPolarHBondContact O-CB 3.31Å; H1610-N1613 PolarHBondContact O-N 3.01Å; H1610-L1616 HydrophobicContact CB-CD2 4.23Å; H1610-L1616 HydrophobicContact CB-CG 4.23Å; H1610-L1616 PolarHBondContact N-O 3.2Å; H1610-Y1618 HydrophobicContact CB-CD2 3.87Å; H1610-Y1618 HydrophobicContact CB-CE2 3.85Å; H1610-Y1618 AromaticContact CD2-CE2 3.87Å; H1610-Y1618 AromaticContact CG-CD2 3.9Å; H1610-Y1618 AromaticContact CG-CE2 3.61Å; H1610-Y1618 AromaticContact ND1-CD2 3.97Å; H1610-Y1618 AromaticContact ND1-CE2 3.9Å
1611	N	83.6	Confident	90.9	Very high	52.6 Å²	52.6	39 Å²	39	28%	0.281	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	51.9	40.2	-175.3	-83.5	-48.1	0	0	0	113.2	Q1558 F1559 S1561 S1609 N1613	Q1558-N1611 VanDerWaalsContact CA-OD1 3.22Å; Q1558-N1611 WeakPolarHBondContact CA-OD1 3.3Å; Q1558-N1611 WeakPolarHBondContact CB-OD1 3.39Å; Q1558-N1611 WeakPolarHBondContact CG-OD1 3.43Å; Q1558-N1611 PolarHBondContact NE2-OD1 3.23Å; F1559-N1611 PolarHBondContact N-OD1 3.08Å; F1559-N1611 WeakPolarHBondContact O-CA 3.43Å; F1559-N1611 PolarHBondContact O-OD1 3.09Å; S1561-N1611 PolarHBondContact OG-N 2.95Å; S1561-N1611 VanDerWaalsContact OG-N 3.15Å; S1609-N1611 PolarHBondContact O-N 3.17Å; N1611-N1613 PolarHBondContact O-N 2.89Å; N1611-N1613 VanDerWaalsContact O-N 3.11Å
1612	S	81.3	Confident	91	Very high	57.6 Å²	57.6	35.5 Å²	35.5	40%	0.403	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	59.6	11.5	-175.1	-11.1	0	0	0	0	116	F1559 Q1560 S1609 H1610 P1614	F1559-S1612 WeakPolarHBondContact CB-OG 3.32Å; Q1560-S1612 PolarHBondContact O-N 2.9Å; Q1560-S1612 PolarHBondContact O-OG 3.07Å; S1609-S1612 WeakPolarHBondContact O-CA 3.41Å; S1609-S1612 PolarHBondContact O-N 3.13Å; S1609-S1612 VanDerWaalsContact O-N 3.08Å; H1610-S1612 VanDerWaalsContact C-N 3.27Å; H1610-S1612 PolarHBondContact O-N 3.16Å; S1612-P1614 VanDerWaalsContact O-CD 3.27Å; S1612-P1614 WeakPolarHBondContact O-CD 3.33Å
1613	N	84.2	Confident	91	Very high	69 Å²	69	35.4 Å²	35.4	37%	0.369	20%	0.196	S	C	.	.			trans	-86.5	105.8	175.1	177.9	8	0	0	0	110.2	S1609 H1610 N1611 N1615 L1616	S1609-N1613 CarbonylContact C-O 3.54Å; S1609-N1613 VanDerWaalsContact CA-O 3.24Å; S1609-N1613 WeakPolarHBondContact CA-O 3.37Å; H1610-N1613 WeakPolarHBondContact O-CB 3.31Å; H1610-N1613 PolarHBondContact O-N 3.01Å; N1611-N1613 PolarHBondContact O-N 2.89Å; N1611-N1613 VanDerWaalsContact O-N 3.11Å; N1613-N1615 PolarHBondContact O-N 3.09Å; N1613-N1615 VanDerWaalsContact O-N 3.08Å; N1613-N1615 WeakPolarHBondContact OD1-CB 3.36Å; N1613-N1615 PolarHBondContact OD1-N 3Å; N1613-N1615 VanDerWaalsContact OD1-N 3.08Å; N1613-L1616 HydrophobicContact CB-CB 4.3Å; N1613-L1616 WeakPolarHBondContact ND2-CB 3.42Å; N1613-L1616 PolarHBondContact O-N 2.96Å; N1613-L1616 VanDerWaalsContact O-N 3.12Å
1614	P	83.2	Confident	90.8	Very high	74.4 Å²	74.4	35.3 Å²	35.3	48%	0.483	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.7	-175.5	27.7	-35.9	0	0	0	113.8	S1612 L1616 N1617	S1612-P1614 VanDerWaalsContact O-CD 3.27Å; S1612-P1614 WeakPolarHBondContact O-CD 3.33Å; P1614-L1616 VanDerWaalsContact C-N 3.33Å; P1614-N1617 PolarHBondContact O-ND2 3.06Å
1615	N	86.6	Confident	90.5	Very high	50.4 Å²	50.4	37.7 Å²	37.7	27%	0.27	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.5	-178	-65.1	13.9	0	0	0	113.3	N1613 R1701 Q1702	N1613-N1615 PolarHBondContact O-N 3.09Å; N1613-N1615 VanDerWaalsContact O-N 3.08Å; N1613-N1615 WeakPolarHBondContact OD1-CB 3.36Å; N1613-N1615 PolarHBondContact OD1-N 3Å; N1613-N1615 VanDerWaalsContact OD1-N 3.08Å; N1615-R1701 CarbonylContact O-C 3.5Å; N1615-R1701 VanDerWaalsContact O-CA 3.28Å; N1615-R1701 WeakPolarHBondContact O-CA 3.39Å; N1615-Q1702 HydrophobicContact CB-CB 4.13Å; N1615-Q1702 WeakPolarHBondContact CB-O 3.44Å; N1615-Q1702 PolarHBondContact ND2-O 2.82Å; N1615-Q1702 PolarHBondContact O-N 3.07Å
1616	L	89	Confident	90.2	Very high	21.4 Å²	21.4	38.8 Å²	38.8	11%	0.112	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.3	-176.6	-178.2	64.7	0	0	0	111	S1609 H1610 N1613 P1614 Y1618 E1699 H1700 R1701	S1609-L1616 CarbonylContact C-O 3.53Å; S1609-L1616 WeakPolarHBondContact CA-O 3.45Å; S1609-L1616 PolarHBondContact N-O 2.91Å; H1610-L1616 HydrophobicContact CB-CD2 4.23Å; H1610-L1616 HydrophobicContact CB-CG 4.23Å; H1610-L1616 PolarHBondContact N-O 3.2Å; N1613-L1616 HydrophobicContact CB-CB 4.3Å; N1613-L1616 WeakPolarHBondContact ND2-CB 3.42Å; N1613-L1616 PolarHBondContact O-N 2.96Å; N1613-L1616 VanDerWaalsContact O-N 3.12Å; P1614-L1616 VanDerWaalsContact C-N 3.33Å; L1616-Y1618 HydrophobicContact CD1-CE2 4.39Å; L1616-Y1618 HydrophobicContact CD2-CE2 4.15Å; L1616-Y1618 HydrophobicContact CG-CE2 4.1Å; L1616-E1699 HydrophobicContact CD1-CG 3.76Å; L1616-H1700 WeakPolarHBondContact CA-O 3.37Å; L1616-R1701 HydrophobicContact CD1-CB 4.27Å; L1616-R1701 HydrophobicContact CD1-CG 4.13Å; L1616-R1701 VanDerWaalsContact CD1-CG 3.42Å
1617	N	92.8	Very high	90	Very high	28.6 Å²	28.6	39.9 Å²	39.9	15%	0.153	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.3	-177.5	-54.3	-71.5	0	0	0	110.2	E1607 L1608 S1609 P1614 H1700	E1607-N1617 WeakPolarHBondContact O-CA 3.41Å; L1608-N1617 VanDerWaalsContact CA-OD1 3.31Å; L1608-N1617 WeakPolarHBondContact CA-OD1 3.39Å; L1608-N1617 HydrophobicContact CD2-CB 4.25Å; S1609-N1617 PolarHBondContact N-OD1 3.07Å; P1614-N1617 PolarHBondContact O-ND2 3.06Å; N1617-H1700 HydrophobicContact CB-CB 4.48Å; N1617-H1700 PolarHBondContact N-O 3.02Å; N1617-H1700 PolarHBondContact O-N 3.05Å
1618	Y	94.3	Very high	89.9	Confident	20.8 Å²	20.8	40.9 Å²	40.9	8%	0.082	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.1	178.3	-69.3	-69.2	0	0	0	111	I1290 P1291 L1292 Y1323 T1606 E1607 H1610 L1616 L1698 E1699	I1290-Y1618 HydrophobicContact CB-CE1 4.46Å; I1290-Y1618 HydrophobicContact CG2-CE1 4.33Å; I1290-Y1618 HydrophobicContact CG2-CE2 3.91Å; I1290-Y1618 VanDerWaalsContact CG2-OH 3.32Å; I1290-Y1618 WeakPolarHBondContact CG2-OH 3.19Å; P1291-Y1618 HydrophobicContact CG-CD1 3.94Å; P1291-Y1618 HydrophobicContact CG-CG 4.26Å; L1292-Y1618 HydrophobicContact CD1-CE1 4.32Å; Y1323-Y1618 WeakPolarHBondContact OH-CB 3.44Å; T1606-Y1618 CarbonylContact C-O 3.54Å; T1606-Y1618 WeakPolarHBondContact CA-O 3.41Å; E1607-Y1618 PolarHBondContact N-O 3.03Å; E1607-Y1618 PolarHBondContact O-N 3.09Å; H1610-Y1618 HydrophobicContact CB-CD2 3.87Å; H1610-Y1618 HydrophobicContact CB-CE2 3.85Å; H1610-Y1618 AromaticContact CD2-CE2 3.87Å; H1610-Y1618 AromaticContact CG-CD2 3.9Å; H1610-Y1618 AromaticContact CG-CE2 3.61Å; H1610-Y1618 AromaticContact ND1-CD2 3.97Å; H1610-Y1618 AromaticContact ND1-CE2 3.9Å; L1616-Y1618 HydrophobicContact CD1-CE2 4.39Å; L1616-Y1618 HydrophobicContact CD2-CE2 4.15Å; L1616-Y1618 HydrophobicContact CG-CE2 4.1Å; Y1618-L1698 WeakPolarHBondContact CA-O 3.38Å; Y1618-E1699 HydrophobicContact CD1-CB 4.01Å; Y1618-E1699 HydrophobicContact CD1-CG 4.17Å; Y1618-E1699 HydrophobicContact CE1-CB 3.67Å; Y1618-E1699 HydrophobicContact CE1-CG 3.52Å; Y1618-E1699 VanDerWaalsContact CE1-CG 3.47Å; Y1618-E1699 WeakPolarHBondContact CE1-OE2 3.32Å; Y1618-E1699 VanDerWaalsContact CZ-OE2 3.31Å; Y1618-E1699 PolarHBondContact OH-OE2 2.99Å
1619	V	94.7	Very high	89.7	Confident	39 Å²	39	38.5 Å²	38.5	24%	0.236	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.2	171.2	-178.8	0	0	0	0	108.5	L1604 F1605 T1606 A1697 L1698	L1604-V1619 HydrophobicContact CD1-CG1 4.06Å; F1605-V1619 CarbonylContact O-C 3.58Å; F1605-V1619 WeakPolarHBondContact O-CA 3.35Å; T1606-V1619 HydrophobicContact CG2-CB 4.46Å; T1606-V1619 HydrophobicContact CG2-CG1 4.08Å; T1606-V1619 HydrophobicContact CG2-CG2 4.02Å; V1619-A1697 CarbonylContact O-C 3.54Å; V1619-A1697 WeakPolarHBondContact O-CA 3.29Å; V1619-L1698 HydrophobicContact CB-CB 4.27Å; V1619-L1698 HydrophobicContact CB-CD2 4.44Å; V1619-L1698 HydrophobicContact CG2-CD2 4.46Å; V1619-L1698 PolarHBondContact N-O 3.21Å; V1619-L1698 PolarHBondContact O-N 2.84Å
1620	E	94.8	Very high	89.5	Confident	20.2 Å²	20.2	37.8 Å²	37.8	9%	0.094	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.9	174.3	65.9	162.4	-159.4	0	0	111.1	P1291 M1320 Y1323 R1324 L1604 F1605 M1696 A1697	P1291-E1620 HydrophobicContact CB-CB 4.21Å; M1320-E1620 HydrophobicContact CE-CB 3.57Å; M1320-E1620 HydrophobicContact CE-CG 4.14Å; M1320-E1620 VanDerWaalsContact CE-OE2 3.27Å; M1320-E1620 WeakPolarHBondContact CE-OE2 3.42Å; Y1323-E1620 WeakPolarHBondContact CD1-OE2 3.3Å; Y1323-E1620 HydrophobicContact CE1-CG 4.35Å; R1324-E1620 WeakPolarHBondContact CD-OE1 3.35Å; R1324-E1620 VanDerWaalsContact CG-OE1 3.28Å; R1324-E1620 WeakPolarHBondContact CG-OE1 3.34Å; R1324-E1620 IonicContact CZ-OE1 3.13Å; R1324-E1620 IonicContact NE-OE1 3.2Å; R1324-E1620 PolarHBondContact NE-OE1 2.93Å; R1324-E1620 IonicContact NH1-OE1 3.22Å; R1324-E1620 PolarHBondContact NH1-OE1 2.82Å; L1604-E1620 WeakPolarHBondContact CA-O 3.32Å; F1605-E1620 HydrophobicContact CB-CB 4.27Å; F1605-E1620 HydrophobicContact CB-CG 3.86Å; F1605-E1620 HydrophobicContact CD1-CG 4.13Å; F1605-E1620 HydrophobicContact CG-CG 4.37Å; F1605-E1620 PolarHBondContact N-O 3.03Å; F1605-E1620 PolarHBondContact O-N 3Å; E1620-M1696 CarbonylContact C-O 3.53Å; E1620-M1696 VanDerWaalsContact CA-O 3.24Å; E1620-M1696 WeakPolarHBondContact CA-O 3.45Å; E1620-A1697 HydrophobicContact CB-CB 4.5Å; E1620-A1697 HydrophobicContact CG-CB 4.17Å
1621	M	95.2	Very high	89.2	Confident	49.6 Å²	49.6	37.6 Å²	37.6	24%	0.244	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	130.8	174.9	-178.8	176.7	157.4	0	0	110.4	T1602 T1603 L1604 V1623 F1694 S1695 M1696	T1602-M1621 HydrophobicContact CG2-CE 3.98Å; T1602-M1621 HydrophobicContact CG2-CG 4.14Å; T1602-M1621 HydrophobicContact CG2-SD 4.38Å; T1603-M1621 CarbonylContact O-C 3.56Å; T1603-M1621 VanDerWaalsContact O-CA 3.24Å; T1603-M1621 WeakPolarHBondContact O-CA 3.46Å; T1603-M1621 WeakPolarHBondContact O-CG 3.24Å; L1604-M1621 HydrophobicContact CD1-CB 4.16Å; L1604-M1621 HydrophobicContact CD1-CG 4.29Å; L1604-M1621 HydrophobicContact CD1-SD 4.47Å; M1621-V1623 HydrophobicContact CE-CG2 3.59Å; M1621-V1623 VanDerWaalsContact CE-CG2 3.5Å; M1621-V1623 HydrophobicContact CG-CG2 4.44Å; M1621-F1694 HydrophobicContact CB-CE1 4.47Å; M1621-F1694 HydrophobicContact CE-CD1 4.39Å; M1621-F1694 HydrophobicContact CE-CE1 3.98Å; M1621-F1694 HydrophobicContact CE-CZ 4.19Å; M1621-F1694 HydrophobicContact CG-CE1 4.15Å; M1621-F1694 HydrophobicContact SD-CE1 4.04Å; M1621-S1695 CarbonylContact O-C 3.54Å; M1621-S1695 VanDerWaalsContact O-CA 3.28Å; M1621-S1695 WeakPolarHBondContact O-CA 3.43Å; M1621-M1696 HydrophobicContact CB-CB 4.31Å; M1621-M1696 PolarHBondContact N-O 3.18Å; M1621-M1696 PolarHBondContact O-N 3.03Å
1622	E	94.9	Very high	88.5	Confident	27.2 Å²	27.2	36.7 Å²	36.7	13%	0.127	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.2	171.3	-63.1	-174.4	130.1	0	0	109.5	K1317 M1320 R1324 T1602 T1603 P1692 F1694 S1695	K1317-E1622 WeakPolarHBondContact CA-OE1 3.44Å; M1320-E1622 VanDerWaalsContact CB-OE1 3.25Å; M1320-E1622 WeakPolarHBondContact CB-OE1 3.43Å; M1320-E1622 HydrophobicContact CE-CG 3.71Å; M1320-E1622 HydrophobicContact SD-CG 3.84Å; M1320-E1622 VanDerWaalsContact SD-OE1 3.41Å; R1324-E1622 IonicContact CZ-OE2 3.11Å; R1324-E1622 IonicContact NH1-OE2 3.77Å; R1324-E1622 PolarHBondContact NH1-OE2 3.07Å; R1324-E1622 IonicContact NH2-OE1 3.7Å; R1324-E1622 PolarHBondContact NH2-OE1 3.03Å; R1324-E1622 VanDerWaalsContact NH2-OE1 3.12Å; R1324-E1622 IonicContact NH2-OE2 3.4Å; R1324-E1622 PolarHBondContact NH2-OE2 2.82Å; T1602-E1622 CarbonylContact C-O 3.49Å; T1602-E1622 VanDerWaalsContact CA-O 3.26Å; T1602-E1622 WeakPolarHBondContact CA-O 3.35Å; T1603-E1622 PolarHBondContact N-O 3.06Å; T1603-E1622 PolarHBondContact O-N 2.91Å; E1622-P1692 HydrophobicContact CB-CB 4.3Å; E1622-P1692 HydrophobicContact CB-CG 4.41Å; E1622-P1692 HydrophobicContact CG-CG 4.41Å; E1622-F1694 CarbonylContact C-O 3.55Å; E1622-F1694 WeakPolarHBondContact CA-O 3.33Å; E1622-S1695 PolarHBondContact OE1-OG 2.96Å
1623	V	94.4	Very high	87.6	Confident	2 Å²	2	36 Å²	36	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	125.7	173.7	-177.1	0	0	0	0	109.1	A1599 T1602 M1621 E1625 F1626 P1692 T1693 F1694	A1599-V1623 HydrophobicContact CB-CG1 3.67Å; T1602-V1623 HydrophobicContact CG2-CG2 4.08Å; M1621-V1623 HydrophobicContact CE-CG2 3.59Å; M1621-V1623 VanDerWaalsContact CE-CG2 3.5Å; M1621-V1623 HydrophobicContact CG-CG2 4.44Å; V1623-E1625 VanDerWaalsContact CG1-O 3.27Å; V1623-E1625 WeakPolarHBondContact CG1-O 3.29Å; V1623-F1626 HydrophobicContact CG1-CB 4.11Å; V1623-F1626 HydrophobicContact CG1-CD2 4.42Å; V1623-P1692 CarbonylContact O-C 3.51Å; V1623-P1692 VanDerWaalsContact O-CA 3.3Å; V1623-P1692 WeakPolarHBondContact O-CA 3.32Å; V1623-P1692 WeakPolarHBondContact O-CB 3.37Å; V1623-T1693 PolarHBondContact O-N 3.23Å; V1623-F1694 HydrophobicContact CB-CB 4.14Å; V1623-F1694 HydrophobicContact CB-CD1 4.47Å; V1623-F1694 HydrophobicContact CG2-CB 4.35Å; V1623-F1694 HydrophobicContact CG2-CD1 3.99Å; V1623-F1694 HydrophobicContact CG2-CG 4.44Å; V1623-F1694 PolarHBondContact N-O 3.19Å; V1623-F1694 PolarHBondContact O-N 3.15Å; V1623-F1694 VanDerWaalsContact O-N 3.16Å
1624	G	91.2	Very high	86.1	Confident	22.4 Å²	22.4	36.4 Å²	36.4	23%	0.231	20%	0.201	C	C	.	.	S	Bend	trans	-61.6	-66.7	179.1	0	0	0	0	0	112.6	S1600 N1601 T1693	S1600-G1624 WeakPolarHBondContact O-CA 3.39Å; S1600-G1624 PolarHBondContact O-N 3.03Å; N1601-G1624 PolarHBondContact O-N 3.22Å; N1601-G1624 VanDerWaalsContact O-N 3.07Å; G1624-T1693 VanDerWaalsContact O-CB 3.27Å; G1624-T1693 WeakPolarHBondContact O-CB 3.39Å; G1624-T1693 PolarHBondContact O-N 2.95Å; G1624-T1693 VanDerWaalsContact O-N 3.09Å; G1624-T1693 PolarHBondContact O-OG1 2.99Å
1625	E	89.3	Confident	84.4	Confident	105 Å²	105	35.8 Å²	35.8	49%	0.491	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.5	175.3	-55.6	162	131.9	0	0	109.5	A1599 S1600 V1623	A1599-E1625 CarbonylContact C-O 3.47Å; A1599-E1625 VanDerWaalsContact CA-O 3.28Å; A1599-E1625 WeakPolarHBondContact CA-O 3.36Å; S1600-E1625 VanDerWaalsContact CB-OE2 3.24Å; S1600-E1625 WeakPolarHBondContact CB-OE2 3.37Å; S1600-E1625 PolarHBondContact N-O 3.22Å; S1600-E1625 PolarHBondContact O-N 3.08Å; S1600-E1625 WeakPolarHBondContact OG-CB 3.34Å; S1600-E1625 WeakPolarHBondContact OG-CG 3.36Å; S1600-E1625 PolarHBondContact OG-N 2.98Å; S1600-E1625 PolarHBondContact OG-OE2 3.13Å; V1623-E1625 VanDerWaalsContact CG1-O 3.27Å; V1623-E1625 WeakPolarHBondContact CG1-O 3.29Å
1626	F	89.3	Confident	82.2	Confident	35 Å²	35	38.4 Å²	38.4	15%	0.154	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	110.5	-175	-178.2	-106.7	0	0	0	111.8	I1597 A1599 V1623 I1628 L1662 T1693 F1694	I1597-F1626 HydrophobicContact CG2-CD2 4.2Å; I1597-F1626 HydrophobicContact CG2-CE2 3.44Å; I1597-F1626 VanDerWaalsContact CG2-CE2 3.44Å; I1597-F1626 HydrophobicContact CG2-CZ 3.94Å; A1599-F1626 HydrophobicContact CB-CD2 4.3Å; V1623-F1626 HydrophobicContact CG1-CB 4.11Å; V1623-F1626 HydrophobicContact CG1-CD2 4.42Å; F1626-I1628 HydrophobicContact CE1-CD1 3.89Å; F1626-I1628 HydrophobicContact CE1-CG1 4.05Å; F1626-I1628 HydrophobicContact CZ-CD1 3.99Å; F1626-I1628 HydrophobicContact CZ-CG1 4.12Å; F1626-L1662 HydrophobicContact CD1-CD2 3.61Å; F1626-L1662 HydrophobicContact CE1-CD2 3.53Å; F1626-L1662 VanDerWaalsContact CE1-CD2 3.45Å; F1626-T1693 HydrophobicContact CB-CG2 3.9Å; F1626-F1694 HydrophobicContact CB-CB 4.48Å
1627	D	90.5	Very high	79.9	Confident	51.2 Å²	51.2	42.9 Å²	42.9	27%	0.274	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.1	-176.8	-81.8	-1.6	0	0	0	110.9	I1597 N1598 L1662 I1663 H1664 R1933	I1597-D1627 WeakPolarHBondContact CA-O 3.35Å; N1598-D1627 HydrophobicContact CB-CB 4.43Å; N1598-D1627 PolarHBondContact N-O 3.06Å; N1598-D1627 PolarHBondContact O-N 3.04Å; D1627-L1662 CarbonylContact C-O 3.51Å; D1627-L1662 WeakPolarHBondContact CA-O 3.34Å; D1627-I1663 VanDerWaalsContact OD1-CA 3.3Å; D1627-I1663 WeakPolarHBondContact OD1-CA 3.36Å; D1627-H1664 PolarHBondContact OD1-N 3.08Å; D1627-R1933 IonicContact OD1-NH2 3.74Å; D1627-R1933 IonicContact OD2-CZ 2.74Å; D1627-R1933 IonicContact OD2-NH1 3.87Å; D1627-R1933 IonicContact OD2-NH2 2.63Å; D1627-R1933 PolarHBondContact OD2-NH2 3.07Å
1628	I	91.1	Very high	77.4	Confident	28.2 Å²	28.2	46.1 Å²	46.1	15%	0.145	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130	173.7	-53.6	-179.2	0	0	0	109.3	V1595 I1597 F1626 V1661 L1662	V1595-I1628 HydrophobicContact CG1-CG2 3.97Å; I1597-I1628 HydrophobicContact CD1-CD1 4.44Å; I1597-I1628 HydrophobicContact CG1-CD1 4.41Å; I1597-I1628 HydrophobicContact CG1-CG1 4.13Å; I1597-I1628 HydrophobicContact CG1-CG2 4.22Å; I1597-I1628 HydrophobicContact CG2-CG1 4.42Å; F1626-I1628 HydrophobicContact CE1-CD1 3.89Å; F1626-I1628 HydrophobicContact CE1-CG1 4.05Å; F1626-I1628 HydrophobicContact CZ-CD1 3.99Å; F1626-I1628 HydrophobicContact CZ-CG1 4.12Å; I1628-V1661 HydrophobicContact CB-CB 4.45Å; I1628-V1661 HydrophobicContact CG2-CB 4.37Å; I1628-V1661 PolarHBondContact O-N 2.91Å; I1628-L1662 HydrophobicContact CB-CB 3.71Å; I1628-L1662 HydrophobicContact CD1-CB 4.14Å; I1628-L1662 HydrophobicContact CD1-CD2 3.86Å; I1628-L1662 HydrophobicContact CG1-CB 3.85Å; I1628-L1662 HydrophobicContact CG1-CD2 4.02Å; I1628-L1662 HydrophobicContact CG1-CG 4.48Å; I1628-L1662 PolarHBondContact N-O 3.1Å; I1628-L1662 PolarHBondContact O-N 2.98Å; I1628-L1662 VanDerWaalsContact O-N 3.09Å; I1628-L1662 VanDerWaalsContact O-O 3.12Å
1629	S	88.2	Confident	74.6	Confident	13.6 Å²	13.6	51.9 Å²	51.9	10%	0.095	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.9	176.5	-27.2	0	0	0	0	111.9	V1595 I1596 L1658 W1659	V1595-S1629 WeakPolarHBondContact CA-O 3.33Å; I1596-S1629 PolarHBondContact N-O 3.24Å; I1596-S1629 PolarHBondContact O-N 2.9Å; I1596-S1629 PolarHBondContact O-OG 2.8Å; S1629-L1658 WeakPolarHBondContact OG-CD2 3.4Å; S1629-W1659 CarbonylContact C-O 3.51Å; S1629-W1659 VanDerWaalsContact CA-O 3.29Å; S1629-W1659 WeakPolarHBondContact CA-O 3.3Å; S1629-W1659 WeakPolarHBondContact CB-O 3.47Å
1630	Y	84.1	Confident	71.7	Confident	4.8 Å²	4.8	58.2 Å²	58.2	2%	0.019	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.7	178.6	172.4	-102.6	0	0	0	110	L1578 E1593 T1594 V1595 C1632 W1659 F1735 W1781	L1578-Y1630 HydrophobicContact CD1-CD2 4.46Å; L1578-Y1630 HydrophobicContact CD1-CE2 3.94Å; E1593-Y1630 HydrophobicContact CB-CE2 4.18Å; E1593-Y1630 VanDerWaalsContact CD-OH 3.25Å; E1593-Y1630 HydrophobicContact CG-CE2 4.44Å; E1593-Y1630 VanDerWaalsContact CG-OH 3.27Å; E1593-Y1630 WeakPolarHBondContact CG-OH 3.34Å; E1593-Y1630 PolarHBondContact OE1-OH 3.05Å; E1593-Y1630 PolarHBondContact OE2-OH 2.92Å; T1594-Y1630 CarbonylContact O-C 3.51Å; T1594-Y1630 WeakPolarHBondContact O-CA 3.24Å; T1594-Y1630 WeakPolarHBondContact O-CD2 3.34Å; V1595-Y1630 HydrophobicContact CG2-CD2 4.17Å; Y1630-C1632 HydrophobicContact CE1-CB 4.32Å; Y1630-W1659 PolarHBondContact N-O 2.99Å; Y1630-W1659 WeakPolarHBondContact O-CB 3.37Å; Y1630-W1659 PolarHBondContact O-N 3.05Å; Y1630-F1735 HydrophobicContact CD1-CD1 4.28Å; Y1630-F1735 AromaticContact CD1-CD2 3.86Å; Y1630-F1735 HydrophobicContact CD1-CD2 3.91Å; Y1630-F1735 AromaticContact CD1-CE1 3.9Å; Y1630-F1735 HydrophobicContact CD1-CE1 4.12Å; Y1630-F1735 AromaticContact CD1-CE2 3.67Å; Y1630-F1735 HydrophobicContact CD1-CE2 3.77Å; Y1630-F1735 HydrophobicContact CD1-CG 4.22Å; Y1630-F1735 AromaticContact CD1-CZ 3.83Å; Y1630-F1735 HydrophobicContact CD1-CZ 4Å; Y1630-F1735 AromaticContact CE1-CD1 3.78Å; Y1630-F1735 HydrophobicContact CE1-CD1 3.83Å; Y1630-F1735 AromaticContact CE1-CD2 3.92Å; Y1630-F1735 HydrophobicContact CE1-CD2 4Å; Y1630-F1735 AromaticContact CE1-CE1 3.8Å; Y1630-F1735 HydrophobicContact CE1-CE1 3.92Å; Y1630-F1735 HydrophobicContact CE1-CE2 4.07Å; Y1630-F1735 AromaticContact CE1-CG 3.9Å; Y1630-F1735 HydrophobicContact CE1-CG 3.9Å; Y1630-F1735 AromaticContact CE1-CZ 3.88Å; Y1630-F1735 HydrophobicContact CE1-CZ 4.02Å; Y1630-F1735 HydrophobicContact CG-CE2 4.38Å; Y1630-W1781 HydrophobicContact CD2-CB 4.2Å; Y1630-W1781 HydrophobicContact CD2-CD2 4.25Å; Y1630-W1781 HydrophobicContact CD2-CE3 4.27Å; Y1630-W1781 HydrophobicContact CD2-CG 4.17Å; Y1630-W1781 HydrophobicContact CE1-CB 4.42Å; Y1630-W1781 HydrophobicContact CE2-CB 3.72Å; Y1630-W1781 HydrophobicContact CE2-CD2 4.39Å; Y1630-W1781 AromaticContact CE2-CG 3.95Å; Y1630-W1781 HydrophobicContact CE2-CG 4.13Å; Y1630-W1781 HydrophobicContact CG-CD2 4.49Å; Y1630-W1781 HydrophobicContact CG-CG 4.29Å
1631	S	79.6	Confident	68.8	Low	17 Å²	17	66.6 Å²	66.6	12%	0.119	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.6	173.5	100.7	0	0	0	0	111.4	E1593 T1594 N1657	E1593-S1631 WeakPolarHBondContact CA-O 3.3Å; T1594-S1631 PolarHBondContact N-O 2.96Å; T1594-S1631 PolarHBondContact O-N 3.15Å; T1594-S1631 VanDerWaalsContact OG1-CB 3.31Å; T1594-S1631 WeakPolarHBondContact OG1-CB 3.47Å; T1594-S1631 PolarHBondContact OG1-OG 3.03Å; S1631-N1657 WeakPolarHBondContact CA-O 3.25Å; S1631-N1657 WeakPolarHBondContact CB-O 3.23Å
1632	C	69.8	Low	65.9	Low	33.2 Å²	33.2	69.3 Å²	69.3	22%	0.224	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	119.8	174.1	-179.3	0	0	0	0	107.8	T1592 E1593 Y1630	T1592-C1632 WeakPolarHBondContact O-CA 3.33Å; E1593-C1632 HydrophobicContact CG-CB 4.36Å; Y1630-C1632 HydrophobicContact CE1-CB 4.32Å
1633	S	61.8	Low	63	Low	43 Å²	43	73.3 Å²	73.3	30%	0.301	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153	-175.5	55	0	0	0	0	111.4	L1591 T1592	L1591-S1633 CarbonylContact C-O 3.55Å; L1591-S1633 WeakPolarHBondContact CA-O 3.43Å; T1592-S1633 PolarHBondContact N-O 3Å; T1592-S1633 PolarHBondContact O-N 3.02Å; T1592-S1633 PolarHBondContact O-OG 2.97Å; T1592-S1633 PolarHBondContact OG1-O 2.88Å; T1592-S1633 VanDerWaalsContact OG1-O 3.07Å; T1592-S1633 PolarHBondContact OG1-OG 3.04Å
1634	Q	53.8	Low	60	Low	78.2 Å²	78.2	77.5 Å²	77.5	37%	0.365	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.9	170.7	-72.4	179.6	-5.8	0	0	109.9	I1589 L1591 P1636 I1922	I1589-Q1634 HydrophobicContact CG2-CG 3.91Å; L1591-Q1634 HydrophobicContact CD2-CG 3.76Å; Q1634-P1636 WeakPolarHBondContact O-CD 3.4Å; Q1634-I1922 HydrophobicContact CG-CD1 3.95Å; Q1634-I1922 HydrophobicContact CG-CG2 4.43Å
1635	N	46.7	Very low	57.2	Low	60.6 Å²	60.6	83.3 Å²	83.3	32%	0.324	47%	0.473	S	S	.	.			trans	-80.3	123.8	173.5	-156.8	-34.4	0	0	0	111.1	R1590 T1592 N1637 S1638	R1590-N1635 HydrophobicContact CB-CB 4.28Å; R1590-N1635 PolarHBondContact O-N 3.27Å; T1592-N1635 HydrophobicContact CG2-CB 4.14Å; N1635-N1637 PolarHBondContact O-N 3.19Å; N1635-N1637 WeakPolarHBondContact OD1-CB 3.42Å; N1635-N1637 PolarHBondContact OD1-N 2.97Å; N1635-N1637 PolarHBondContact OD1-ND2 3.07Å; N1635-N1637 VanDerWaalsContact OD1-ND2 3.1Å; N1635-S1638 PolarHBondContact O-OG 2.67Å
1636	P	40.9	Very low	54.4	Low	105.6 Å²	105.6	85.8 Å²	85.8	69%	0.686	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	8.4	179.4	31	-35.5	0	0	0	114.3	Q1634 S1638	Q1634-P1636 WeakPolarHBondContact O-CD 3.4Å; P1636-S1638 PolarHBondContact O-N 3.18Å
1637	N	41.3	Very low	51.5	Low	115.6 Å²	115.6	88.5 Å²	88.5	62%	0.618	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	6.1	-173.8	-69.2	-54	0	0	0	114.9	N1635 D1639 K1640	N1635-N1637 PolarHBondContact O-N 3.19Å; N1635-N1637 WeakPolarHBondContact OD1-CB 3.42Å; N1635-N1637 PolarHBondContact OD1-N 2.97Å; N1635-N1637 PolarHBondContact OD1-ND2 3.07Å; N1635-N1637 VanDerWaalsContact OD1-ND2 3.1Å; N1637-D1639 PolarHBondContact O-N 2.73Å; N1637-K1640 PolarHBondContact OD1-NZ 2.98Å; N1637-K1640 VanDerWaalsContact OD1-NZ 3.17Å
1638	S	40.1	Very low	48.7	Very low	96.4 Å²	96.4	94.6 Å²	94.6	67%	0.674	55%	0.546	S	S	*	.	S	Bend	trans	-82.7	-12.3	175.9	56.2	0	0	0	0	113.8	N1635 P1636 K1640	N1635-S1638 PolarHBondContact O-OG 2.67Å; P1636-S1638 PolarHBondContact O-N 3.18Å; S1638-K1640 VanDerWaalsContact C-N 3.32Å; S1638-K1640 PolarHBondContact O-N 3.2Å
1639	D	34.7	Very low	45.8	Very low	141.6 Å²	141.6	102.5 Å²	102.5	76%	0.757	58%	0.582	S	S	*	*			trans	-122.9	75	-179.9	-76.1	-26.6	0	0	0	112.5	N1637 H1641	N1637-D1639 PolarHBondContact O-N 2.73Å; D1639-H1641 PolarHBondContact O-N 3.2Å; D1639-H1641 VanDerWaalsContact O-N 3.08Å
1640	K	34.9	Very low	42.9	Very low	172.6 Å²	172.6	106.4 Å²	106.4	75%	0.75	61%	0.609	S	S	*	*			trans	-107.1	80.7	165.3	-77.4	-175.2	177.5	171	0	111.2	N1637 S1638	N1637-K1640 PolarHBondContact OD1-NZ 2.98Å; N1637-K1640 VanDerWaalsContact OD1-NZ 3.17Å; S1638-K1640 VanDerWaalsContact C-N 3.32Å; S1638-K1640 PolarHBondContact O-N 3.2Å
1641	H	34.1	Very low	40.4	Very low	195.2 Å²	195.2	111.7 Å²	111.7	90%	0.904	65%	0.647	S	S	*	*			trans	-161.7	59.4	163.8	-82.5	-58.8	0	0	0	113.9	D1639	D1639-H1641 PolarHBondContact O-N 3.2Å; D1639-H1641 VanDerWaalsContact O-N 3.08Å
1642	S	33.4	Very low	38.1	Very low	106 Å²	106	114.6 Å²	114.6	74%	0.741	67%	0.668	S	S	*	*	S	Bend	trans	-155.5	136.7	150.2	49	0	0	0	0	111.9
1643	S	34	Very low	36.3	Very low	112.4 Å²	112.4	119 Å²	119	79%	0.786	69%	0.689	S	S	*	*			trans	30.9	116.4	170.1	55.7	0	0	0	0	117.7	D1645	S1643-D1645 PolarHBondContact O-N 2.86Å
1644	A	31.2	Very low	35.3	Very low	90.8 Å²	90.8	122.1 Å²	122.1	75%	0.75	71%	0.711	S	S	*	*			trans	-57.3	139.1	153.7	0	0	0	0	0	111.7
1645	D	31.6	Very low	34.9	Very low	143 Å²	143	121.8 Å²	121.8	77%	0.765	72%	0.717	S	S	*	*			trans	121.1	124.9	154.9	-70.8	-22.1	0	0	0	114.9	S1643	S1643-D1645 PolarHBondContact O-N 2.86Å
1646	N	30.8	Very low	35.2	Very low	157.2 Å²	157.2	121.6 Å²	121.6	84%	0.841	72%	0.718	S	S	*	*			trans	85.6	94.1	161.2	-53.6	-55.5	0	0	0	118.3	H1648	N1646-H1648 PolarHBondContact O-N 3.27Å
1647	A	28.5	Very low	36.2	Very low	92.6 Å²	92.6	118.4 Å²	118.4	77%	0.765	70%	0.695	S	S	*	*			trans	-159.7	111.8	147	0	0	0	0	0	114.9	Q1649	A1647-Q1649 PolarHBondContact O-N 3.17Å; A1647-Q1649 VanDerWaalsContact O-N 3.13Å
1648	H	31.7	Very low	37.8	Very low	179.8 Å²	179.8	114.7 Å²	114.7	83%	0.832	68%	0.675	S	S	*	*			trans	-44.1	116	154.4	-76.5	-75.4	0	0	0	112.4	N1646 S1650	N1646-H1648 PolarHBondContact O-N 3.27Å; H1648-S1650 PolarHBondContact O-N 3Å
1649	Q	30.5	Very low	39.6	Very low	192.8 Å²	192.8	111.7 Å²	111.7	90%	0.901	65%	0.649	S	S	*	*			trans	-68.5	106.2	169.4	-77.5	172.4	-46.4	0	0	110.1	A1647 S1651	A1647-Q1649 PolarHBondContact O-N 3.17Å; A1647-Q1649 VanDerWaalsContact O-N 3.13Å; Q1649-S1651 VanDerWaalsContact C-N 3.32Å; Q1649-S1651 PolarHBondContact O-N 2.89Å; Q1649-S1651 VanDerWaalsContact O-N 3.11Å
1650	S	28.4	Very low	41.9	Very low	95.2 Å²	95.2	105.4 Å²	105.4	67%	0.666	62%	0.616	S	S	*	*			trans	-70.4	109.6	168.1	48.9	0	0	0	0	110.4	H1648 S1652	H1648-S1650 PolarHBondContact O-N 3Å; S1650-S1652 VanDerWaalsContact C-N 3.31Å; S1650-S1652 PolarHBondContact O-N 3.02Å; S1650-S1652 VanDerWaalsContact O-N 3.13Å
1651	S	30.4	Very low	44.3	Very low	117.2 Å²	117.2	97.5 Å²	97.5	82%	0.82	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	54.4	-175.7	57.5	0	0	0	0	113.5	Q1649	Q1649-S1651 VanDerWaalsContact C-N 3.32Å; Q1649-S1651 PolarHBondContact O-N 2.89Å; Q1649-S1651 VanDerWaalsContact O-N 3.11Å
1652	S	31.4	Very low	46.8	Very low	78.6 Å²	78.6	89.2 Å²	89.2	55%	0.55	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-32.5	-178.4	41.5	0	0	0	0	114.8	S1650 S1654	S1650-S1652 VanDerWaalsContact C-N 3.31Å; S1650-S1652 PolarHBondContact O-N 3.02Å; S1650-S1652 VanDerWaalsContact O-N 3.13Å; S1652-S1654 PolarHBondContact O-N 2.95Å
1653	D	32.6	Very low	49.4	Very low	124 Å²	124	85.3 Å²	85.3	66%	0.663	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-105.4	14	-167.3	-62.3	-7.7	0	0	0	115.9	S1655 V1656	D1653-S1655 VanDerWaalsContact C-N 3.27Å; D1653-S1655 PolarHBondContact O-N 3.13Å; D1653-V1656 HydrophobicContact CB-CG2 4.39Å; D1653-V1656 WeakPolarHBondContact O-CG2 3.3Å
1654	S	40.5	Very low	51.9	Low	109.2 Å²	109.2	83.6 Å²	83.6	76%	0.764	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-78.9	-4.7	176.5	60.2	0	0	0	0	114.7	S1652 V1656 L1658	S1652-S1654 PolarHBondContact O-N 2.95Å; S1654-V1656 VanDerWaalsContact C-N 3.32Å; S1654-V1656 PolarHBondContact O-N 2.94Å; S1654-V1656 VanDerWaalsContact O-N 3.12Å; S1654-L1658 VanDerWaalsContact O-CD1 3.31Å; S1654-L1658 WeakPolarHBondContact O-CD1 3.23Å
1655	S	46.2	Very low	54.4	Low	70.8 Å²	70.8	80.2 Å²	80.2	50%	0.495	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-76.1	-5.1	-171.8	59	0	0	0	0	115.5	D1653 N1657	D1653-S1655 VanDerWaalsContact C-N 3.27Å; D1653-S1655 PolarHBondContact O-N 3.13Å; S1655-N1657 VanDerWaalsContact C-N 3.33Å; S1655-N1657 PolarHBondContact O-N 3.1Å; S1655-N1657 VanDerWaalsContact O-N 3.14Å
1656	V	51.9	Low	56.9	Low	56.8 Å²	56.8	75.1 Å²	75.1	34%	0.344	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-69.9	-23.9	-162.9	-178.4	0	0	0	0	113.9	D1653 S1654 S1925	D1653-V1656 HydrophobicContact CB-CG2 4.39Å; D1653-V1656 WeakPolarHBondContact O-CG2 3.3Å; S1654-V1656 VanDerWaalsContact C-N 3.32Å; S1654-V1656 PolarHBondContact O-N 2.94Å; S1654-V1656 VanDerWaalsContact O-N 3.12Å; V1656-S1925 VanDerWaalsContact CG1-CB 3.45Å; V1656-S1925 VanDerWaalsContact O-CB 3.28Å; V1656-S1925 WeakPolarHBondContact O-CB 3.48Å; V1656-S1925 PolarHBondContact O-OG 3.04Å
1657	N	62.4	Low	59.3	Low	38.8 Å²	38.8	67.7 Å²	67.7	21%	0.207	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-127	22.7	-170.7	-74.9	-29.5	0	0	0	115.7	S1631 S1655 W1659 I1922 S1924 S1925	S1631-N1657 WeakPolarHBondContact CA-O 3.25Å; S1631-N1657 WeakPolarHBondContact CB-O 3.23Å; S1655-N1657 VanDerWaalsContact C-N 3.33Å; S1655-N1657 PolarHBondContact O-N 3.1Å; S1655-N1657 VanDerWaalsContact O-N 3.14Å; N1657-W1659 PolarHBondContact O-N 3.07Å; N1657-I1922 PolarHBondContact ND2-O 2.78Å; N1657-S1924 PolarHBondContact OD1-O 2.93Å; N1657-S1925 WeakPolarHBondContact OD1-CB 3.47Å; N1657-S1925 PolarHBondContact OD1-OG 3.22Å
1658	L	73.5	Confident	61.6	Low	37.2 Å²	37.2	66.6 Å²	66.6	20%	0.195	38%	0.381	C	S	.	.			trans	-85.5	109.2	177.6	-68.8	122.4	0	0	0	112	I1596 S1629 S1654 P1660 L1929 R1933	I1596-L1658 HydrophobicContact CB-CD2 4.24Å; I1596-L1658 HydrophobicContact CD1-CD2 3.63Å; I1596-L1658 VanDerWaalsContact CD1-CD2 3.46Å; I1596-L1658 HydrophobicContact CD1-CG 4.41Å; I1596-L1658 HydrophobicContact CG2-CD2 4.44Å; S1629-L1658 WeakPolarHBondContact OG-CD2 3.4Å; S1654-L1658 VanDerWaalsContact O-CD1 3.31Å; S1654-L1658 WeakPolarHBondContact O-CD1 3.23Å; L1658-P1660 WeakPolarHBondContact O-CD 3.44Å; L1658-L1929 VanDerWaalsContact O-CD1 3.27Å; L1658-L1929 WeakPolarHBondContact O-CD1 3.46Å; L1658-L1929 WeakPolarHBondContact O-CD2 3.41Å; L1658-R1933 PolarHBondContact O-NH1 2.92Å; L1658-R1933 PolarHBondContact O-NH2 3.19Å
1659	W	78.7	Confident	63.8	Low	34.2 Å²	34.2	61.7 Å²	61.7	13%	0.13	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	118.6	174.8	-62.1	83.1	0	0	0	110.1	S1629 Y1630 N1657 V1661 W1732 F1735 H1926 L1928 L1929	S1629-W1659 CarbonylContact C-O 3.51Å; S1629-W1659 VanDerWaalsContact CA-O 3.29Å; S1629-W1659 WeakPolarHBondContact CA-O 3.3Å; S1629-W1659 WeakPolarHBondContact CB-O 3.47Å; Y1630-W1659 PolarHBondContact N-O 2.99Å; Y1630-W1659 WeakPolarHBondContact O-CB 3.37Å; Y1630-W1659 PolarHBondContact O-N 3.05Å; N1657-W1659 PolarHBondContact O-N 3.07Å; W1659-V1661 PolarHBondContact O-N 3.09Å; W1659-W1732 AromaticContact CE3-CD2 3.89Å; W1659-W1732 HydrophobicContact CE3-CD2 3.89Å; W1659-W1732 AromaticContact CE3-CE2 3.9Å; W1659-W1732 AromaticContact CE3-CE3 3.82Å; W1659-W1732 HydrophobicContact CE3-CE3 3.87Å; W1659-W1732 AromaticContact CE3-CH2 3.86Å; W1659-W1732 HydrophobicContact CE3-CH2 3.99Å; W1659-W1732 AromaticContact CE3-CZ2 3.96Å; W1659-W1732 HydrophobicContact CE3-CZ2 4Å; W1659-W1732 AromaticContact CE3-CZ3 3.75Å; W1659-W1732 HydrophobicContact CE3-CZ3 3.92Å; W1659-W1732 HydrophobicContact CZ3-CD2 4.33Å; W1659-W1732 AromaticContact CZ3-CE3 3.83Å; W1659-W1732 HydrophobicContact CZ3-CE3 3.83Å; W1659-W1732 AromaticContact CZ3-CH2 4Å; W1659-W1732 HydrophobicContact CZ3-CH2 4.08Å; W1659-W1732 HydrophobicContact CZ3-CZ2 4.46Å; W1659-W1732 AromaticContact CZ3-CZ3 3.69Å; W1659-W1732 HydrophobicContact CZ3-CZ3 3.69Å; W1659-W1732 VanDerWaalsContact CZ3-CZ3 3.46Å; W1659-F1735 HydrophobicContact CB-CE2 4.07Å; W1659-F1735 HydrophobicContact CB-CZ 4.16Å; W1659-F1735 AromaticContact CD1-CZ 3.88Å; W1659-F1735 AromaticContact CD2-CE2 3.81Å; W1659-F1735 HydrophobicContact CD2-CE2 4.06Å; W1659-F1735 AromaticContact CD2-CZ 3.62Å; W1659-F1735 HydrophobicContact CD2-CZ 3.75Å; W1659-F1735 AromaticContact CE2-CZ 3.76Å; W1659-F1735 HydrophobicContact CE3-CE2 4.2Å; W1659-F1735 HydrophobicContact CE3-CZ 4.08Å; W1659-F1735 HydrophobicContact CG-CE1 4.33Å; W1659-F1735 AromaticContact CG-CE2 3.92Å; W1659-F1735 HydrophobicContact CG-CE2 3.96Å; W1659-F1735 AromaticContact CG-CZ 3.74Å; W1659-F1735 HydrophobicContact CG-CZ 3.74Å; W1659-F1735 HydrophobicContact CH2-CZ 4.37Å; W1659-F1735 HydrophobicContact CZ2-CZ 4.31Å; W1659-F1735 HydrophobicContact CZ3-CZ 4.37Å; W1659-F1735 AromaticContact NE1-CZ 3.91Å; W1659-H1926 HydrophobicContact CH2-CB 4.02Å; W1659-H1926 AromaticContact CH2-CE1 3.99Å; W1659-H1926 AromaticContact CH2-CG 3.81Å; W1659-H1926 AromaticContact CH2-ND1 3.54Å; W1659-H1926 WeakPolarHBondContact CH2-ND1 3.35Å; W1659-H1926 HydrophobicContact CZ2-CB 3.75Å; W1659-H1926 AromaticContact CZ2-CG 3.82Å; W1659-H1926 AromaticContact CZ2-ND1 3.88Å; W1659-L1928 HydrophobicContact CH2-CB 4.46Å; W1659-L1928 HydrophobicContact CZ3-CB 4.43Å; W1659-L1929 HydrophobicContact CD2-CD1 4.04Å; W1659-L1929 HydrophobicContact CD2-CD2 4.33Å; W1659-L1929 HydrophobicContact CE3-CB 4.39Å; W1659-L1929 HydrophobicContact CE3-CD1 4Å; W1659-L1929 HydrophobicContact CE3-CG 4.09Å; W1659-L1929 HydrophobicContact CG-CD1 4.28Å; W1659-L1929 HydrophobicContact CH2-CB 4.41Å; W1659-L1929 HydrophobicContact CZ3-CB 4.21Å; W1659-L1929 HydrophobicContact CZ3-CD1 4.12Å; W1659-L1929 HydrophobicContact CZ3-CG 4.19Å
1660	P	82.7	Confident	66	Low	9.2 Å²	9.2	52.8 Å²	52.8	6%	0.06	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135	177.5	29	-33.7	0	0	0	110.2	L1658 I1663 V1730 W1732 L1929 F1932	L1658-P1660 WeakPolarHBondContact O-CD 3.44Å; P1660-I1663 HydrophobicContact CB-CD1 3.68Å; P1660-I1663 HydrophobicContact CB-CG1 3.8Å; P1660-I1663 HydrophobicContact CB-CG2 3.58Å; P1660-I1663 HydrophobicContact CG-CD1 4.07Å; P1660-V1730 WeakPolarHBondContact O-CB 3.36Å; P1660-W1732 HydrophobicContact CG-CZ2 4.35Å; P1660-W1732 PolarHBondContact O-NE1 3.1Å; P1660-L1929 HydrophobicContact CG-CD2 4.35Å; P1660-F1932 HydrophobicContact CG-CD1 4.26Å; P1660-F1932 HydrophobicContact CG-CE1 3.93Å
1661	V	84.9	Confident	68.1	Low	7 Å²	7	49.4 Å²	49.4	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-39.3	176.4	173.6	0	0	0	0	110.6	I1628 W1659 F1729 V1730 W1781	I1628-V1661 HydrophobicContact CB-CB 4.45Å; I1628-V1661 HydrophobicContact CG2-CB 4.37Å; I1628-V1661 PolarHBondContact O-N 2.91Å; W1659-V1661 PolarHBondContact O-N 3.09Å; V1661-F1729 HydrophobicContact CG1-CD2 4.3Å; V1661-F1729 HydrophobicContact CG1-CE2 3.78Å; V1661-F1729 CarbonylContact O-C 3.56Å; V1661-F1729 WeakPolarHBondContact O-CA 3.38Å; V1661-F1729 VanDerWaalsContact O-CD2 3.27Å; V1661-F1729 WeakPolarHBondContact O-CD2 3.38Å; V1661-V1730 PolarHBondContact O-N 3.05Å; V1661-W1781 HydrophobicContact CB-CH2 4.43Å; V1661-W1781 HydrophobicContact CB-CZ2 4.32Å; V1661-W1781 HydrophobicContact CG1-CH2 3.7Å; V1661-W1781 HydrophobicContact CG1-CZ2 3.46Å; V1661-W1781 VanDerWaalsContact CG1-CZ2 3.42Å; V1661-W1781 HydrophobicContact CG2-CH2 4.31Å; V1661-W1781 HydrophobicContact CG2-CZ2 3.94Å
1662	L	88.3	Confident	70.3	Confident	19.6 Å²	19.6	44.2 Å²	44.2	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.5	174.6	-162.5	75.3	0	0	0	107.1	F1626 D1627 I1628 V1727 C1728 F1729	F1626-L1662 HydrophobicContact CD1-CD2 3.61Å; F1626-L1662 HydrophobicContact CE1-CD2 3.53Å; F1626-L1662 VanDerWaalsContact CE1-CD2 3.45Å; D1627-L1662 CarbonylContact C-O 3.51Å; D1627-L1662 WeakPolarHBondContact CA-O 3.34Å; I1628-L1662 HydrophobicContact CB-CB 3.71Å; I1628-L1662 HydrophobicContact CD1-CB 4.14Å; I1628-L1662 HydrophobicContact CD1-CD2 3.86Å; I1628-L1662 HydrophobicContact CG1-CB 3.85Å; I1628-L1662 HydrophobicContact CG1-CD2 4.02Å; I1628-L1662 HydrophobicContact CG1-CG 4.48Å; I1628-L1662 PolarHBondContact N-O 3.1Å; I1628-L1662 PolarHBondContact O-N 2.98Å; I1628-L1662 VanDerWaalsContact O-N 3.09Å; I1628-L1662 VanDerWaalsContact O-O 3.12Å; L1662-V1727 HydrophobicContact CD1-CB 4.02Å; L1662-V1727 HydrophobicContact CD1-CG1 3.42Å; L1662-V1727 HydrophobicContact CD1-CG2 3.96Å; L1662-V1727 HydrophobicContact CD2-CG1 4.06Å; L1662-V1727 HydrophobicContact CG-CB 4.35Å; L1662-V1727 HydrophobicContact CG-CG1 3.48Å; L1662-V1727 VanDerWaalsContact CG-CG1 3.45Å; L1662-C1728 WeakPolarHBondContact CA-O 3.45Å; L1662-F1729 HydrophobicContact CD1-CB 4.32Å; L1662-F1729 HydrophobicContact CD1-CD1 3.4Å; L1662-F1729 VanDerWaalsContact CD1-CD1 3.4Å; L1662-F1729 HydrophobicContact CD1-CD2 4.17Å; L1662-F1729 HydrophobicContact CD1-CE1 3.39Å; L1662-F1729 HydrophobicContact CD1-CE2 3.85Å; L1662-F1729 HydrophobicContact CD1-CG 3.65Å; L1662-F1729 HydrophobicContact CD1-CZ 3.62Å
1663	I	87.5	Confident	72	Confident	25.4 Å²	25.4	43 Å²	43	13%	0.13	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.9	178.8	22.7	179.5	0	0	0	109.7	D1627 P1660 L1665 V1727 C1728 V1730 R1933 L1936	D1627-I1663 VanDerWaalsContact OD1-CA 3.3Å; D1627-I1663 WeakPolarHBondContact OD1-CA 3.36Å; P1660-I1663 HydrophobicContact CB-CD1 3.68Å; P1660-I1663 HydrophobicContact CB-CG1 3.8Å; P1660-I1663 HydrophobicContact CB-CG2 3.58Å; P1660-I1663 HydrophobicContact CG-CD1 4.07Å; I1663-L1665 PolarHBondContact O-N 3.14Å; I1663-V1727 CarbonylContact O-C 3.59Å; I1663-V1727 WeakPolarHBondContact O-CA 3.04Å; I1663-V1727 WeakPolarHBondContact O-CG1 3.43Å; I1663-C1728 HydrophobicContact CD1-CB 4.33Å; I1663-C1728 HydrophobicContact CG1-CB 3.78Å; I1663-C1728 PolarHBondContact N-O 3.07Å; I1663-C1728 PolarHBondContact O-N 3.18Å; I1663-V1730 HydrophobicContact CD1-CG2 4.22Å; I1663-V1730 HydrophobicContact CG1-CG2 4.24Å; I1663-R1933 HydrophobicContact CD1-CG 4.39Å; I1663-L1936 HydrophobicContact CD1-CD1 3.62Å; I1663-L1936 VanDerWaalsContact CD1-CD1 3.46Å; I1663-L1936 HydrophobicContact CD1-CD2 3.71Å; I1663-L1936 HydrophobicContact CD1-CG 4.24Å
1664	H	86.4	Confident	73.7	Confident	75.2 Å²	75.2	40.1 Å²	40.1	35%	0.348	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	128.7	166.3	173.7	-112.8	0	0	0	110.7	D1627 T1693 D1726	D1627-H1664 PolarHBondContact OD1-N 3.08Å; H1664-T1693 PolarHBondContact CD2-OG1 3.16Å; H1664-T1693 VanDerWaalsContact CD2-OG1 3.31Å; H1664-D1726 CarbonylContact C-O 3.57Å; H1664-D1726 WeakPolarHBondContact CA-O 3.16Å; H1664-D1726 PolarHBondContact CD2-O 3.16Å
1665	L	83.8	Confident	74.5	Confident	20.8 Å²	20.8	35.7 Å²	35.7	11%	0.109	21%	0.21	C	C	.	.			trans	-145.6	97.5	-177.1	-173.5	71.9	0	0	0	110.8	I1663 W1667 I1670 D1726 C1728 T1821 M1852 L1936	I1663-L1665 PolarHBondContact O-N 3.14Å; L1665-W1667 PolarHBondContact O-N 3.08Å; L1665-W1667 VanDerWaalsContact O-N 3.15Å; L1665-I1670 HydrophobicContact CD1-CD1 3.72Å; L1665-I1670 HydrophobicContact CD1-CG2 3.86Å; L1665-I1670 HydrophobicContact CD2-CD1 3.75Å; L1665-I1670 HydrophobicContact CD2-CG2 4.15Å; L1665-I1670 HydrophobicContact CG-CD1 4.02Å; L1665-I1670 HydrophobicContact CG-CG2 4.09Å; L1665-D1726 CarbonylContact C-O 3.49Å; L1665-D1726 PolarHBondContact N-O 3.17Å; L1665-D1726 CarbonylContact O-C 3.56Å; L1665-C1728 HydrophobicContact CB-CB 3.81Å; L1665-C1728 HydrophobicContact CD1-CB 4.24Å; L1665-C1728 HydrophobicContact CD2-CB 3.71Å; L1665-C1728 HydrophobicContact CG-CB 4.34Å; L1665-T1821 VanDerWaalsContact CD2-OG1 3.28Å; L1665-T1821 WeakPolarHBondContact CD2-OG1 3.39Å; L1665-M1852 HydrophobicContact CD2-CE 4.36Å; L1665-L1936 HydrophobicContact CD1-CD2 4.1Å
1666	S	83	Confident	74.5	Confident	36.4 Å²	36.4	37.2 Å²	37.2	26%	0.255	22%	0.22	S	C	.	.			trans	-61.2	126.7	176.7	169.5	0	0	0	0	112.5	D1668 S1669 I1670 D1726	S1666-D1668 VanDerWaalsContact C-N 3.28Å; S1666-D1668 PolarHBondContact O-N 3.08Å; S1666-S1669 VanDerWaalsContact CB-OG 3.31Å; S1666-S1669 WeakPolarHBondContact CB-OG 3.33Å; S1666-S1669 WeakPolarHBondContact O-CB 3.29Å; S1666-S1669 PolarHBondContact O-N 2.86Å; S1666-S1669 VanDerWaalsContact O-N 3.12Å; S1666-S1669 PolarHBondContact O-OG 3.3Å; S1666-S1669 PolarHBondContact OG-N 3.04Å; S1666-S1669 PolarHBondContact OG-OG 3.13Å; S1666-I1670 PolarHBondContact O-N 2.82Å; S1666-D1726 VanDerWaalsContact CA-OD1 3.27Å; S1666-D1726 WeakPolarHBondContact CA-OD1 3.32Å
1667	W	81.3	Confident	74	Confident	1.4 Å²	1.4	39.3 Å²	39.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-36.8	179.4	-113.9	-7.1	0	0	0	113.7	L1665 S1669 I1670 G1671 Y1672 Y1674 D1726 H1819 L1820 T1821 C1855 E1856	L1665-W1667 PolarHBondContact O-N 3.08Å; L1665-W1667 VanDerWaalsContact O-N 3.15Å; W1667-S1669 VanDerWaalsContact C-N 3.3Å; W1667-S1669 PolarHBondContact O-N 2.95Å; W1667-I1670 HydrophobicContact CE3-CD1 4.25Å; W1667-I1670 HydrophobicContact CG-CD1 4.44Å; W1667-I1670 VanDerWaalsContact O-CG1 3.25Å; W1667-I1670 WeakPolarHBondContact O-CG1 3.34Å; W1667-I1670 PolarHBondContact O-N 2.94Å; W1667-G1671 PolarHBondContact O-N 3.07Å; W1667-G1671 VanDerWaalsContact O-N 3.13Å; W1667-Y1672 AromaticContact CD2-CD1 3.87Å; W1667-Y1672 HydrophobicContact CD2-CD1 4.03Å; W1667-Y1672 HydrophobicContact CD2-CD2 4.25Å; W1667-Y1672 HydrophobicContact CD2-CE1 4.45Å; W1667-Y1672 AromaticContact CD2-CG 3.8Å; W1667-Y1672 HydrophobicContact CD2-CG 4.08Å; W1667-Y1672 AromaticContact CE2-CD1 3.73Å; W1667-Y1672 AromaticContact CE2-CD2 3.94Å; W1667-Y1672 AromaticContact CE2-CG 3.63Å; W1667-Y1672 AromaticContact CE3-CD1 3.33Å; W1667-Y1672 HydrophobicContact CE3-CD1 3.33Å; W1667-Y1672 AromaticContact CE3-CD2 3.85Å; W1667-Y1672 HydrophobicContact CE3-CD2 4.15Å; W1667-Y1672 AromaticContact CE3-CE1 3.93Å; W1667-Y1672 HydrophobicContact CE3-CE1 3.93Å; W1667-Y1672 HydrophobicContact CE3-CE2 4.31Å; W1667-Y1672 AromaticContact CE3-CG 3.58Å; W1667-Y1672 HydrophobicContact CE3-CG 3.58Å; W1667-Y1672 HydrophobicContact CG-CG 4.33Å; W1667-Y1672 AromaticContact CH2-CD1 3.67Å; W1667-Y1672 HydrophobicContact CH2-CD1 3.86Å; W1667-Y1672 AromaticContact CH2-CD2 3.97Å; W1667-Y1672 HydrophobicContact CH2-CD2 4.1Å; W1667-Y1672 AromaticContact CH2-CE1 3.48Å; W1667-Y1672 HydrophobicContact CH2-CE1 3.65Å; W1667-Y1672 VanDerWaalsContact CH2-CE1 3.47Å; W1667-Y1672 AromaticContact CH2-CE2 3.81Å; W1667-Y1672 HydrophobicContact CH2-CE2 4.05Å; W1667-Y1672 AromaticContact CH2-CG 3.98Å; W1667-Y1672 HydrophobicContact CH2-CG 4.16Å; W1667-Y1672 AromaticContact CH2-CZ 3.63Å; W1667-Y1672 VanDerWaalsContact CH2-CZ 3.48Å; W1667-Y1672 AromaticContact CZ2-CD1 3.49Å; W1667-Y1672 HydrophobicContact CZ2-CD1 3.85Å; W1667-Y1672 AromaticContact CZ2-CD2 3.72Å; W1667-Y1672 HydrophobicContact CZ2-CD2 4.06Å; W1667-Y1672 AromaticContact CZ2-CE1 3.77Å; W1667-Y1672 HydrophobicContact CZ2-CE1 3.88Å; W1667-Y1672 AromaticContact CZ2-CE2 3.7Å; W1667-Y1672 HydrophobicContact CZ2-CE2 4.05Å; W1667-Y1672 AromaticContact CZ2-CG 3.52Å; W1667-Y1672 HydrophobicContact CZ2-CG 3.92Å; W1667-Y1672 VanDerWaalsContact CZ2-CG 3.44Å; W1667-Y1672 AromaticContact CZ2-CZ 3.87Å; W1667-Y1672 AromaticContact CZ3-CD1 3.2Å; W1667-Y1672 HydrophobicContact CZ3-CD1 3.2Å; W1667-Y1672 AromaticContact CZ3-CD2 3.82Å; W1667-Y1672 HydrophobicContact CZ3-CD2 3.82Å; W1667-Y1672 AromaticContact CZ3-CE1 3.28Å; W1667-Y1672 HydrophobicContact CZ3-CE1 3.28Å; W1667-Y1672 AromaticContact CZ3-CE2 3.81Å; W1667-Y1672 HydrophobicContact CZ3-CE2 3.81Å; W1667-Y1672 AromaticContact CZ3-CG 3.7Å; W1667-Y1672 HydrophobicContact CZ3-CG 3.82Å; W1667-Y1672 AromaticContact CZ3-CZ 3.5Å; W1667-Y1672 AromaticContact NE1-CD1 3.65Å; W1667-Y1672 AromaticContact NE1-CG 3.52Å; W1667-Y1672 PolarHBondContact O-N 2.83Å; W1667-Y1674 HydrophobicContact CB-CE1 3.87Å; W1667-Y1674 WeakPolarHBondContact CB-OH 3.29Å; W1667-Y1674 AromaticContact CD1-CE1 3.67Å; W1667-Y1674 VanDerWaalsContact CD1-CE1 3.48Å; W1667-Y1674 AromaticContact CD1-CZ 3.74Å; W1667-Y1674 HydrophobicContact CD2-CE1 4.48Å; W1667-Y1674 AromaticContact CE3-CD1 3.93Å; W1667-Y1674 HydrophobicContact CE3-CD1 3.93Å; W1667-Y1674 AromaticContact CE3-CE1 3.86Å; W1667-Y1674 HydrophobicContact CE3-CE1 4.12Å; W1667-Y1674 HydrophobicContact CG-CE1 4.44Å; W1667-Y1674 HydrophobicContact CZ3-CD1 4.42Å; W1667-Y1674 AromaticContact NE1-CE1 3.67Å; W1667-D1726 WeakPolarHBondContact CB-OD1 3.45Å; W1667-D1726 PolarHBondContact N-OD1 3.28Å; W1667-D1726 VanDerWaalsContact N-OD1 3.07Å; W1667-H1819 HydrophobicContact CB-CB 3.93Å; W1667-H1819 AromaticContact CD1-CD2 3.8Å; W1667-H1819 HydrophobicContact CD2-CB 3.73Å; W1667-H1819 AromaticContact CD2-CD2 3.82Å; W1667-H1819 AromaticContact CD2-CG 3.98Å; W1667-H1819 VanDerWaalsContact CE2-CA 3.5Å; W1667-H1819 AromaticContact CE2-CD2 3.91Å; W1667-H1819 VanDerWaalsContact CE3-C 3.49Å; W1667-H1819 VanDerWaalsContact CE3-CA 3.41Å; W1667-H1819 HydrophobicContact CE3-CB 3.98Å; W1667-H1819 AromaticContact CE3-CD2 3.9Å; W1667-H1819 HydrophobicContact CG-CB 3.87Å; W1667-H1819 AromaticContact CG-CD2 3.63Å; W1667-H1819 AromaticContact CG-CG 3.78Å; W1667-H1819 HydrophobicContact CZ2-CB 4.44Å; W1667-H1819 HydrophobicContact CZ3-CB 4.17Å; W1667-H1819 WeakPolarHBondContact CZ3-O 3.33Å; W1667-H1819 AromaticContact NE1-CD2 3.82Å; W1667-H1819 PolarHBondContact NE1-O 3.04Å; W1667-L1820 VanDerWaalsContact CH2-O 3.3Å; W1667-L1820 WeakPolarHBondContact CH2-O 3.38Å; W1667-L1820 WeakPolarHBondContact CZ3-O 3.32Å; W1667-T1821 HydrophobicContact CE3-CG2 4.31Å; W1667-T1821 HydrophobicContact CH2-CG2 3.69Å; W1667-T1821 HydrophobicContact CZ3-CG2 3.53Å; W1667-C1855 WeakPolarHBondContact CH2-O 3.1Å; W1667-C1855 WeakPolarHBondContact CZ2-O 3.44Å; W1667-E1856 VanDerWaalsContact CH2-CA 3.43Å; W1667-E1856 HydrophobicContact CH2-CB 3.8Å; W1667-E1856 HydrophobicContact CH2-CG 4.34Å; W1667-E1856 HydrophobicContact CZ2-CB 4.26Å; W1667-E1856 HydrophobicContact CZ3-CB 4.01Å; W1667-E1856 HydrophobicContact CZ3-CG 4.21Å
1668	D	78.3	Confident	72.8	Confident	69.8 Å²	69.8	41.5 Å²	41.5	37%	0.373	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-36.1	175.1	-71.9	-41.8	0	0	0	111.8	S1666 I1670 G1671 Y1674 S1688	S1666-D1668 VanDerWaalsContact C-N 3.28Å; S1666-D1668 PolarHBondContact O-N 3.08Å; D1668-I1670 VanDerWaalsContact C-N 3.31Å; D1668-I1670 PolarHBondContact O-N 2.96Å; D1668-G1671 PolarHBondContact O-N 2.92Å; D1668-Y1674 VanDerWaalsContact OD1-CE2 3.25Å; D1668-Y1674 WeakPolarHBondContact OD1-CE2 3.14Å; D1668-Y1674 PolarHBondContact OD1-OH 3.24Å; D1668-Y1674 VanDerWaalsContact OD2-CE2 3.27Å; D1668-Y1674 WeakPolarHBondContact OD2-CE2 3.5Å; D1668-Y1674 PolarHBondContact OD2-OH 2.83Å; D1668-S1688 PolarHBondContact OD2-OG 2.87Å
1669	S	76.7	Confident	71.1	Confident	77 Å²	77	43.4 Å²	43.4	54%	0.538	25%	0.253	S	S	.	.	H	α-helix	trans	-69.2	-28.4	-176.8	34	0	0	0	0	113.4	S1666 W1667 K2477	S1666-S1669 VanDerWaalsContact CB-OG 3.31Å; S1666-S1669 WeakPolarHBondContact CB-OG 3.33Å; S1666-S1669 WeakPolarHBondContact O-CB 3.29Å; S1666-S1669 PolarHBondContact O-N 2.86Å; S1666-S1669 VanDerWaalsContact O-N 3.12Å; S1666-S1669 PolarHBondContact O-OG 3.3Å; S1666-S1669 PolarHBondContact OG-N 3.04Å; S1666-S1669 PolarHBondContact OG-OG 3.13Å; W1667-S1669 VanDerWaalsContact C-N 3.3Å; W1667-S1669 PolarHBondContact O-N 2.95Å; S1669-K2477 PolarHBondContact O-NZ 3.3Å
1670	I	76.3	Confident	68.9	Low	6 Å²	6	49.8 Å²	49.8	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-96.3	-12	-178	51.6	172.1	0	0	0	113.1	L1665 S1666 W1667 D1668 Y1672 T1821 M1852 F1939 L1941	L1665-I1670 HydrophobicContact CD1-CD1 3.72Å; L1665-I1670 HydrophobicContact CD1-CG2 3.86Å; L1665-I1670 HydrophobicContact CD2-CD1 3.75Å; L1665-I1670 HydrophobicContact CD2-CG2 4.15Å; L1665-I1670 HydrophobicContact CG-CD1 4.02Å; L1665-I1670 HydrophobicContact CG-CG2 4.09Å; S1666-I1670 PolarHBondContact O-N 2.82Å; W1667-I1670 HydrophobicContact CE3-CD1 4.25Å; W1667-I1670 HydrophobicContact CG-CD1 4.44Å; W1667-I1670 VanDerWaalsContact O-CG1 3.25Å; W1667-I1670 WeakPolarHBondContact O-CG1 3.34Å; W1667-I1670 PolarHBondContact O-N 2.94Å; D1668-I1670 VanDerWaalsContact C-N 3.31Å; D1668-I1670 PolarHBondContact O-N 2.96Å; I1670-Y1672 HydrophobicContact CD1-CD2 4.32Å; I1670-T1821 HydrophobicContact CD1-CG2 4.13Å; I1670-M1852 HydrophobicContact CD1-CE 4.37Å; I1670-M1852 HydrophobicContact CG2-CE 4.4Å; I1670-F1939 HydrophobicContact CB-CD1 3.78Å; I1670-F1939 HydrophobicContact CB-CE1 3.91Å; I1670-F1939 HydrophobicContact CD1-CE1 4.39Å; I1670-F1939 HydrophobicContact CG2-CD1 3.63Å; I1670-F1939 HydrophobicContact CG2-CE1 4.07Å; I1670-F1939 HydrophobicContact CG2-CG 4.46Å; I1670-L1941 HydrophobicContact CB-CD1 3.86Å; I1670-L1941 HydrophobicContact CD1-CD1 3.73Å; I1670-L1941 HydrophobicContact CG1-CD1 3.73Å; I1670-L1941 HydrophobicContact CG2-CB 4.44Å; I1670-L1941 HydrophobicContact CG2-CD1 3.7Å; I1670-L1941 HydrophobicContact CG2-CG 3.68Å; I1670-L1941 WeakPolarHBondContact O-CB 3.38Å; I1670-L1941 VanDerWaalsContact O-CD1 3.29Å; I1670-L1941 WeakPolarHBondContact O-CD1 3.27Å; I1670-L1941 PolarHBondContact O-N 2.98Å
1671	G	73.2	Confident	66.6	Low	22.8 Å²	22.8	52.9 Å²	52.9	24%	0.235	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	36.8	179.2	0	0	0	0	0	113.9	W1667 D1668 P1673	W1667-G1671 PolarHBondContact O-N 3.07Å; W1667-G1671 VanDerWaalsContact O-N 3.13Å; D1668-G1671 PolarHBondContact O-N 2.92Å; G1671-P1673 WeakPolarHBondContact O-CD 3.26Å
1672	Y	76.1	Confident	64	Low	8 Å²	8	55.2 Å²	55.2	3%	0.031	33%	0.328	C	S	.	.			trans	-69.9	130.9	176.3	-161.5	-76	0	0	0	110.5	W1667 I1670 Y1674 M1852 G1854 N1897 A1899 F1901 L1941	W1667-Y1672 AromaticContact CD2-CD1 3.87Å; W1667-Y1672 HydrophobicContact CD2-CD1 4.03Å; W1667-Y1672 HydrophobicContact CD2-CD2 4.25Å; W1667-Y1672 HydrophobicContact CD2-CE1 4.45Å; W1667-Y1672 AromaticContact CD2-CG 3.8Å; W1667-Y1672 HydrophobicContact CD2-CG 4.08Å; W1667-Y1672 AromaticContact CE2-CD1 3.73Å; W1667-Y1672 AromaticContact CE2-CD2 3.94Å; W1667-Y1672 AromaticContact CE2-CG 3.63Å; W1667-Y1672 AromaticContact CE3-CD1 3.33Å; W1667-Y1672 HydrophobicContact CE3-CD1 3.33Å; W1667-Y1672 AromaticContact CE3-CD2 3.85Å; W1667-Y1672 HydrophobicContact CE3-CD2 4.15Å; W1667-Y1672 AromaticContact CE3-CE1 3.93Å; W1667-Y1672 HydrophobicContact CE3-CE1 3.93Å; W1667-Y1672 HydrophobicContact CE3-CE2 4.31Å; W1667-Y1672 AromaticContact CE3-CG 3.58Å; W1667-Y1672 HydrophobicContact CE3-CG 3.58Å; W1667-Y1672 HydrophobicContact CG-CG 4.33Å; W1667-Y1672 AromaticContact CH2-CD1 3.67Å; W1667-Y1672 HydrophobicContact CH2-CD1 3.86Å; W1667-Y1672 AromaticContact CH2-CD2 3.97Å; W1667-Y1672 HydrophobicContact CH2-CD2 4.1Å; W1667-Y1672 AromaticContact CH2-CE1 3.48Å; W1667-Y1672 HydrophobicContact CH2-CE1 3.65Å; W1667-Y1672 VanDerWaalsContact CH2-CE1 3.47Å; W1667-Y1672 AromaticContact CH2-CE2 3.81Å; W1667-Y1672 HydrophobicContact CH2-CE2 4.05Å; W1667-Y1672 AromaticContact CH2-CG 3.98Å; W1667-Y1672 HydrophobicContact CH2-CG 4.16Å; W1667-Y1672 AromaticContact CH2-CZ 3.63Å; W1667-Y1672 VanDerWaalsContact CH2-CZ 3.48Å; W1667-Y1672 AromaticContact CZ2-CD1 3.49Å; W1667-Y1672 HydrophobicContact CZ2-CD1 3.85Å; W1667-Y1672 AromaticContact CZ2-CD2 3.72Å; W1667-Y1672 HydrophobicContact CZ2-CD2 4.06Å; W1667-Y1672 AromaticContact CZ2-CE1 3.77Å; W1667-Y1672 HydrophobicContact CZ2-CE1 3.88Å; W1667-Y1672 AromaticContact CZ2-CE2 3.7Å; W1667-Y1672 HydrophobicContact CZ2-CE2 4.05Å; W1667-Y1672 AromaticContact CZ2-CG 3.52Å; W1667-Y1672 HydrophobicContact CZ2-CG 3.92Å; W1667-Y1672 VanDerWaalsContact CZ2-CG 3.44Å; W1667-Y1672 AromaticContact CZ2-CZ 3.87Å; W1667-Y1672 AromaticContact CZ3-CD1 3.2Å; W1667-Y1672 HydrophobicContact CZ3-CD1 3.2Å; W1667-Y1672 AromaticContact CZ3-CD2 3.82Å; W1667-Y1672 HydrophobicContact CZ3-CD2 3.82Å; W1667-Y1672 AromaticContact CZ3-CE1 3.28Å; W1667-Y1672 HydrophobicContact CZ3-CE1 3.28Å; W1667-Y1672 AromaticContact CZ3-CE2 3.81Å; W1667-Y1672 HydrophobicContact CZ3-CE2 3.81Å; W1667-Y1672 AromaticContact CZ3-CG 3.7Å; W1667-Y1672 HydrophobicContact CZ3-CG 3.82Å; W1667-Y1672 AromaticContact CZ3-CZ 3.5Å; W1667-Y1672 AromaticContact NE1-CD1 3.65Å; W1667-Y1672 AromaticContact NE1-CG 3.52Å; W1667-Y1672 PolarHBondContact O-N 2.83Å; I1670-Y1672 HydrophobicContact CD1-CD2 4.32Å; Y1672-Y1674 PolarHBondContact O-N 3.07Å; Y1672-Y1674 VanDerWaalsContact O-N 3.12Å; Y1672-M1852 HydrophobicContact CD2-CE 4.28Å; Y1672-M1852 HydrophobicContact CE2-CE 4.31Å; Y1672-G1854 PolarHBondContact OH-O 3.21Å; Y1672-N1897 PolarHBondContact OH-O 3.25Å; Y1672-A1899 WeakPolarHBondContact OH-CB 3.47Å; Y1672-A1899 PolarHBondContact OH-N 2.94Å; Y1672-F1901 HydrophobicContact CD2-CE2 4.29Å; Y1672-F1901 AromaticContact CE2-CE2 3.68Å; Y1672-F1901 HydrophobicContact CE2-CE2 3.68Å; Y1672-F1901 AromaticContact CE2-CZ 3.99Å; Y1672-F1901 HydrophobicContact CE2-CZ 4.11Å; Y1672-L1941 HydrophobicContact CD2-CD1 3.81Å; Y1672-L1941 HydrophobicContact CD2-CD2 3.57Å; Y1672-L1941 HydrophobicContact CE2-CD1 4.45Å; Y1672-L1941 HydrophobicContact CE2-CD2 3.95Å; Y1672-L1941 HydrophobicContact CG-CD1 4.14Å; Y1672-L1941 HydrophobicContact CG-CD2 3.73Å
1673	P	67.6	Low	61.4	Low	53.4 Å²	53.4	58.1 Å²	58.1	35%	0.347	35%	0.346	S	S	.	.			trans	-75.1	110.7	178.7	29.4	-33.6	0	0	0	111	G1671 G1675 N1897 F1901 I2479 R2482 L2485	G1671-P1673 WeakPolarHBondContact O-CD 3.26Å; P1673-G1675 PolarHBondContact O-N 2.91Å; P1673-N1897 PolarHBondContact O-ND2 3.17Å; P1673-F1901 HydrophobicContact CG-CZ 4.16Å; P1673-I2479 HydrophobicContact CB-CG2 4.11Å; P1673-R2482 HydrophobicContact CB-CB 4.11Å; P1673-R2482 HydrophobicContact CG-CB 3.95Å; P1673-R2482 HydrophobicContact CG-CG 4.32Å; P1673-R2482 VanDerWaalsContact O-CZ 3.25Å; P1673-R2482 PolarHBondContact O-NE 3.5Å; P1673-R2482 PolarHBondContact O-NH2 3.47Å; P1673-L2485 HydrophobicContact CG-CD1 3.73Å
1674	Y	67.6	Low	58.5	Low	62.2 Å²	62.2	60.2 Å²	60.2	24%	0.244	36%	0.363	C	S	.	.			trans	-59.7	147.3	170	-62.5	-77.1	0	0	0	111.9	W1667 D1668 Y1672 S1676 H1679 H1819 R2482	W1667-Y1674 HydrophobicContact CB-CE1 3.87Å; W1667-Y1674 WeakPolarHBondContact CB-OH 3.29Å; W1667-Y1674 AromaticContact CD1-CE1 3.67Å; W1667-Y1674 VanDerWaalsContact CD1-CE1 3.48Å; W1667-Y1674 AromaticContact CD1-CZ 3.74Å; W1667-Y1674 HydrophobicContact CD2-CE1 4.48Å; W1667-Y1674 AromaticContact CE3-CD1 3.93Å; W1667-Y1674 HydrophobicContact CE3-CD1 3.93Å; W1667-Y1674 AromaticContact CE3-CE1 3.86Å; W1667-Y1674 HydrophobicContact CE3-CE1 4.12Å; W1667-Y1674 HydrophobicContact CG-CE1 4.44Å; W1667-Y1674 HydrophobicContact CZ3-CD1 4.42Å; W1667-Y1674 AromaticContact NE1-CE1 3.67Å; D1668-Y1674 VanDerWaalsContact OD1-CE2 3.25Å; D1668-Y1674 WeakPolarHBondContact OD1-CE2 3.14Å; D1668-Y1674 PolarHBondContact OD1-OH 3.24Å; D1668-Y1674 VanDerWaalsContact OD2-CE2 3.27Å; D1668-Y1674 WeakPolarHBondContact OD2-CE2 3.5Å; D1668-Y1674 PolarHBondContact OD2-OH 2.83Å; Y1672-Y1674 PolarHBondContact O-N 3.07Å; Y1672-Y1674 VanDerWaalsContact O-N 3.12Å; Y1674-S1676 PolarHBondContact O-N 3.16Å; Y1674-H1679 WeakPolarHBondContact CB-CD2 3.28Å; Y1674-H1679 WeakPolarHBondContact CB-NE2 3.19Å; Y1674-H1679 HydrophobicContact CD1-CB 4.46Å; Y1674-H1679 AromaticContact CD1-CD2 3.62Å; Y1674-H1679 WeakPolarHBondContact CD1-CD2 3.4Å; Y1674-H1679 AromaticContact CD1-CE1 3.66Å; Y1674-H1679 AromaticContact CD1-CG 3.57Å; Y1674-H1679 AromaticContact CD1-ND1 3.81Å; Y1674-H1679 AromaticContact CD1-NE2 3.56Å; Y1674-H1679 WeakPolarHBondContact CD1-NE2 3.48Å; Y1674-H1679 AromaticContact CD2-NE2 3.33Å; Y1674-H1679 VanDerWaalsContact CD2-NE2 3.33Å; Y1674-H1679 WeakPolarHBondContact CD2-NE2 3.34Å; Y1674-H1679 AromaticContact CE1-CD2 3.82Å; Y1674-H1679 AromaticContact CE1-CE1 3.41Å; Y1674-H1679 VanDerWaalsContact CE1-CE1 3.41Å; Y1674-H1679 WeakPolarHBondContact CE1-CE1 3.36Å; Y1674-H1679 AromaticContact CE1-ND1 3.92Å; Y1674-H1679 AromaticContact CE1-NE2 3.34Å; Y1674-H1679 VanDerWaalsContact CE1-NE2 3.34Å; Y1674-H1679 WeakPolarHBondContact CE1-NE2 3.49Å; Y1674-H1679 HydrophobicContact CG-CB 4.47Å; Y1674-H1679 AromaticContact CG-CD2 3.82Å; Y1674-H1679 AromaticContact CG-CG 3.98Å; Y1674-H1679 AromaticContact CG-NE2 3.14Å; Y1674-H1819 AromaticContact CD1-CD2 3.9Å; Y1674-H1819 AromaticContact CD1-NE2 3.65Å; Y1674-H1819 AromaticContact CE1-CD2 3.74Å; Y1674-H1819 AromaticContact CE1-CE1 3.92Å; Y1674-H1819 AromaticContact CE1-NE2 3.7Å; Y1674-R2482 VanDerWaalsContact C-NH2 3.29Å
1675	G	58.7	Low	56	Low	18 Å²	18	61.4 Å²	61.4	19%	0.186	38%	0.375	C	S	.	.			trans	-74.3	113.7	178.9	0	0	0	0	0	111.5	P1673 T1677 L1678 E1856 N1897 R2482	P1673-G1675 PolarHBondContact O-N 2.91Å; G1675-T1677 PolarHBondContact O-N 3.1Å; G1675-L1678 PolarHBondContact O-N 3.29Å; G1675-L1678 VanDerWaalsContact O-N 3.09Å; G1675-E1856 VanDerWaalsContact CA-OE1 3.32Å; G1675-E1856 WeakPolarHBondContact CA-OE1 3.33Å; G1675-E1856 WeakPolarHBondContact CA-OE2 3.07Å; G1675-E1856 VanDerWaalsContact N-CD 3.27Å; G1675-E1856 PolarHBondContact N-OE1 3.19Å; G1675-E1856 PolarHBondContact N-OE2 3.12Å; G1675-E1856 VanDerWaalsContact N-OE2 3.15Å; G1675-N1897 PolarHBondContact N-ND2 3.37Å; G1675-N1897 VanDerWaalsContact N-ND2 3.16Å; G1675-R2482 VanDerWaalsContact CA-CZ 3.42Å
1676	S	45.9	Very low	53.6	Low	101 Å²	101	65.3 Å²	65.3	71%	0.706	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	22.8	-178	70.2	0	0	0	0	114.1	Y1674 L1678 E1856	Y1674-S1676 PolarHBondContact O-N 3.16Å; S1676-L1678 PolarHBondContact O-N 2.82Å; S1676-L1678 PolarHBondContact OG-N 3.1Å; S1676-E1856 PolarHBondContact N-OE1 3.26Å
1677	T	40.6	Very low	51.4	Low	101.8 Å²	101.8	69.1 Å²	69.1	63%	0.625	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-10.7	178.4	50.8	0	0	0	0	113.4	G1675 V1681	G1675-T1677 PolarHBondContact O-N 3.1Å; T1677-V1681 WeakPolarHBondContact O-CG2 3.21Å
1678	L	38.1	Very low	49.7	Very low	85.4 Å²	85.4	72 Å²	72	45%	0.447	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-32.5	-177.8	-141.6	75.1	0	0	0	112.5	E1244 G1675 S1676 Q1680 V1681 S1857	E1244-L1678 HydrophobicContact CB-CD1 4.27Å; G1675-L1678 PolarHBondContact O-N 3.29Å; G1675-L1678 VanDerWaalsContact O-N 3.09Å; S1676-L1678 PolarHBondContact O-N 2.82Å; S1676-L1678 PolarHBondContact OG-N 3.1Å; L1678-Q1680 PolarHBondContact O-N 3.05Å; L1678-V1681 HydrophobicContact CG-CB 4.3Å; L1678-V1681 HydrophobicContact CG-CG2 4.47Å; L1678-V1681 PolarHBondContact O-N 3.26Å; L1678-V1681 VanDerWaalsContact O-N 3.07Å; L1678-S1857 WeakPolarHBondContact CD2-OG 3.42Å
1679	H	37.4	Very low	48.5	Very low	77.6 Å²	77.6	73.8 Å²	73.8	36%	0.359	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.5	-176.3	-102.8	-82.6	0	0	0	115.6	Y1674 V1681 V1683 T1685 H1819 E1856	Y1674-H1679 WeakPolarHBondContact CB-CD2 3.28Å; Y1674-H1679 WeakPolarHBondContact CB-NE2 3.19Å; Y1674-H1679 HydrophobicContact CD1-CB 4.46Å; Y1674-H1679 AromaticContact CD1-CD2 3.62Å; Y1674-H1679 WeakPolarHBondContact CD1-CD2 3.4Å; Y1674-H1679 AromaticContact CD1-CE1 3.66Å; Y1674-H1679 AromaticContact CD1-CG 3.57Å; Y1674-H1679 AromaticContact CD1-ND1 3.81Å; Y1674-H1679 AromaticContact CD1-NE2 3.56Å; Y1674-H1679 WeakPolarHBondContact CD1-NE2 3.48Å; Y1674-H1679 AromaticContact CD2-NE2 3.33Å; Y1674-H1679 VanDerWaalsContact CD2-NE2 3.33Å; Y1674-H1679 WeakPolarHBondContact CD2-NE2 3.34Å; Y1674-H1679 AromaticContact CE1-CD2 3.82Å; Y1674-H1679 AromaticContact CE1-CE1 3.41Å; Y1674-H1679 VanDerWaalsContact CE1-CE1 3.41Å; Y1674-H1679 WeakPolarHBondContact CE1-CE1 3.36Å; Y1674-H1679 AromaticContact CE1-ND1 3.92Å; Y1674-H1679 AromaticContact CE1-NE2 3.34Å; Y1674-H1679 VanDerWaalsContact CE1-NE2 3.34Å; Y1674-H1679 WeakPolarHBondContact CE1-NE2 3.49Å; Y1674-H1679 HydrophobicContact CG-CB 4.47Å; Y1674-H1679 AromaticContact CG-CD2 3.82Å; Y1674-H1679 AromaticContact CG-CG 3.98Å; Y1674-H1679 AromaticContact CG-NE2 3.14Å; H1679-V1681 VanDerWaalsContact C-N 3.3Å; H1679-V1681 PolarHBondContact O-N 3.07Å; H1679-V1683 VanDerWaalsContact CE1-CG1 3.43Å; H1679-V1683 WeakPolarHBondContact CE1-CG1 3.39Å; H1679-V1683 PolarHBondContact CE1-O 2.95Å; H1679-T1685 WeakPolarHBondContact O-CG2 3.41Å; H1679-H1819 AromaticContact CE1-CE1 3.76Å; H1679-H1819 AromaticContact CE1-NE2 3.73Å; H1679-H1819 AromaticContact NE2-CE1 3.43Å; H1679-H1819 PolarHBondContact NE2-CE1 2.98Å; H1679-H1819 AromaticContact NE2-NE2 3.44Å; H1679-H1819 PolarHBondContact NE2-NE2 3.48Å; H1679-E1856 IonicContact CD2-OE1 2.68Å; H1679-E1856 PolarHBondContact CD2-OE1 3.48Å
1680	Q	33.5	Very low	48	Very low	168.2 Å²	168.2	75.3 Å²	75.3	79%	0.786	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-2	174.7	-99.2	-178.5	-7.2	0	0	113.6	L1678 G1682	L1678-Q1680 PolarHBondContact O-N 3.05Å; Q1680-G1682 PolarHBondContact O-N 3Å
1681	V	32.8	Very low	48.3	Very low	74.2 Å²	74.2	78 Å²	78	45%	0.45	47%	0.471	S	S	.	.	S	Bend	trans	-116.7	87.6	-175.4	-163.1	0	0	0	0	111.1	A1241 Q1242 E1244 T1677 L1678 H1679 V1683	A1241-V1681 HydrophobicContact CB-CG1 4.48Å; Q1242-V1681 HydrophobicContact CB-CG1 4.26Å; Q1242-V1681 WeakPolarHBondContact O-CG1 3.46Å; Q1242-V1681 PolarHBondContact OE1-O 2.92Å; E1244-V1681 HydrophobicContact CB-CG1 4.03Å; E1244-V1681 HydrophobicContact CB-CG2 4.3Å; T1677-V1681 WeakPolarHBondContact O-CG2 3.21Å; L1678-V1681 HydrophobicContact CG-CB 4.3Å; L1678-V1681 HydrophobicContact CG-CG2 4.47Å; L1678-V1681 PolarHBondContact O-N 3.26Å; L1678-V1681 VanDerWaalsContact O-N 3.07Å; H1679-V1681 VanDerWaalsContact C-N 3.3Å; H1679-V1681 PolarHBondContact O-N 3.07Å; V1681-V1683 VanDerWaalsContact C-N 3.31Å; V1681-V1683 PolarHBondContact O-N 3.13Å; V1681-V1683 VanDerWaalsContact O-N 3.13Å
1682	G	31.2	Very low	49	Very low	56 Å²	56	77.4 Å²	77.4	58%	0.577	46%	0.463	S	S	*	.	S	Bend	trans	95	-13.5	152.1	0	0	0	0	0	118.6	Q1680 S1684	Q1680-G1682 PolarHBondContact O-N 3Å; G1682-S1684 PolarHBondContact O-N 3.38Å
1683	V	32.5	Very low	49.7	Very low	79.2 Å²	79.2	77.2 Å²	77.2	48%	0.48	46%	0.462	S	S	.	.	S	Bend	trans	-95.1	113.7	170.4	-162.2	0	0	0	0	108.6	H1679 V1681 T1685	H1679-V1683 VanDerWaalsContact CE1-CG1 3.43Å; H1679-V1683 WeakPolarHBondContact CE1-CG1 3.39Å; H1679-V1683 PolarHBondContact CE1-O 2.95Å; V1681-V1683 VanDerWaalsContact C-N 3.31Å; V1681-V1683 PolarHBondContact O-N 3.13Å; V1681-V1683 VanDerWaalsContact O-N 3.13Å; V1683-T1685 VanDerWaalsContact C-N 3.25Å; V1683-T1685 PolarHBondContact O-N 2.95Å; V1683-T1685 VanDerWaalsContact O-N 3.14Å
1684	S	28.4	Very low	51	Low	70.2 Å²	70.2	75.9 Å²	75.9	49%	0.491	45%	0.451	S	S	.	.			trans	-65.8	115.9	175.1	50.3	0	0	0	0	110.5	G1682 T1686 N1687	G1682-S1684 PolarHBondContact O-N 3.38Å; S1684-T1686 PolarHBondContact O-N 3.1Å; S1684-T1686 PolarHBondContact O-OG1 3.13Å; S1684-T1686 PolarHBondContact OG-OG1 3.17Å; S1684-N1687 PolarHBondContact O-N 3.47Å
1685	T	33.5	Very low	52.2	Low	99.4 Å²	99.4	73.1 Å²	73.1	61%	0.61	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	37.5	-179.2	52	0	0	0	0	113.1	H1679 V1683 N1687	H1679-T1685 WeakPolarHBondContact O-CG2 3.41Å; V1683-T1685 VanDerWaalsContact C-N 3.25Å; V1683-T1685 PolarHBondContact O-N 2.95Å; V1683-T1685 VanDerWaalsContact O-N 3.14Å; T1685-N1687 PolarHBondContact O-N 3.21Å
1686	T	32.8	Very low	54	Low	103.4 Å²	103.4	74.4 Å²	74.4	63%	0.634	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	5.2	-178.8	51.6	0	0	0	0	112.4	S1684	S1684-T1686 PolarHBondContact O-N 3.1Å; S1684-T1686 PolarHBondContact O-OG1 3.13Å; S1684-T1686 PolarHBondContact OG-OG1 3.17Å
1687	N	36	Very low	56.3	Low	116.8 Å²	116.8	69.9 Å²	69.9	63%	0.625	41%	0.411	S	S	*	.	S	Bend	trans	-145	34.9	-177.9	-73.2	-12.7	0	0	0	114.2	E1238 S1684 T1685 S1689	E1238-N1687 PolarHBondContact OE1-ND2 2.91Å; S1684-N1687 PolarHBondContact O-N 3.47Å; T1685-N1687 PolarHBondContact O-N 3.21Å; N1687-S1689 VanDerWaalsContact C-N 3.28Å; N1687-S1689 PolarHBondContact O-N 3.15Å; N1687-S1689 VanDerWaalsContact O-N 3.12Å
1688	S	46.4	Very low	58.9	Low	60.8 Å²	60.8	66.7 Å²	66.7	43%	0.425	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-61	-24	174	48	0	0	0	0	113.8	D1668 N1690 E1691	D1668-S1688 PolarHBondContact OD2-OG 2.87Å; S1688-N1690 VanDerWaalsContact C-N 3.28Å; S1688-N1690 PolarHBondContact O-N 3.03Å; S1688-N1690 VanDerWaalsContact O-N 3.17Å; S1688-E1691 PolarHBondContact O-N 3.31Å
1689	S	53.1	Low	61.5	Low	107.6 Å²	107.6	63.7 Å²	63.7	75%	0.752	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-70.6	8.5	-171.9	68.4	0	0	0	0	117.1	N1687	N1687-S1689 VanDerWaalsContact C-N 3.28Å; N1687-S1689 PolarHBondContact O-N 3.15Å; N1687-S1689 VanDerWaalsContact O-N 3.12Å
1690	N	66.5	Low	64.1	Low	109.2 Å²	109.2	61.9 Å²	61.9	58%	0.584	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-133	-2.5	-167.3	-130.8	7.9	0	0	0	114.8	K1317 S1688	K1317-N1690 WeakPolarHBondContact CD-O 3.34Å; K1317-N1690 WeakPolarHBondContact CE-O 3.32Å; K1317-N1690 PolarHBondContact NZ-O 3.09Å; K1317-N1690 PolarHBondContact NZ-OD1 3.35Å; S1688-N1690 VanDerWaalsContact C-N 3.28Å; S1688-N1690 PolarHBondContact O-N 3.03Å; S1688-N1690 VanDerWaalsContact O-N 3.17Å
1691	E	82.3	Confident	66.7	Low	63.4 Å²	63.4	58.2 Å²	58.2	30%	0.296	35%	0.345	S	S	.	.	S	Bend	trans	-76.9	151.2	169.3	-74.5	-89	135.4	0	0	110.9	N1316 K1317 S1688 R1723 Q1725	N1316-E1691 WeakPolarHBondContact CB-OE2 3.4Å; K1317-E1691 VanDerWaalsContact CB-OE1 3.29Å; K1317-E1691 WeakPolarHBondContact CB-OE1 3.32Å; K1317-E1691 PolarHBondContact N-OE1 3.03Å; K1317-E1691 VanDerWaalsContact N-OE1 3.14Å; K1317-E1691 PolarHBondContact N-OE2 3.34Å; S1688-E1691 PolarHBondContact O-N 3.31Å; E1691-R1723 IonicContact OE2-CZ 2.98Å; E1691-R1723 VanDerWaalsContact OE2-CZ 3.27Å; E1691-R1723 IonicContact OE2-NH1 3.63Å; E1691-R1723 PolarHBondContact OE2-NH1 2.93Å; E1691-R1723 IonicContact OE2-NH2 2.99Å; E1691-R1723 PolarHBondContact OE2-NH2 3.02Å; E1691-Q1725 VanDerWaalsContact CB-OE1 3.31Å; E1691-Q1725 PolarHBondContact O-NE2 3.01Å; E1691-Q1725 PolarHBondContact OE2-NE2 3.19Å
1692	P	88.4	Confident	69.1	Low	9.4 Å²	9.4	58 Å²	58	6%	0.061	34%	0.339	C	S	.	.			trans	-72.3	139.2	179.3	29.3	-35.3	0	0	0	112.4	E1622 V1623 F1694 S1695 Q1725	E1622-P1692 HydrophobicContact CB-CB 4.3Å; E1622-P1692 HydrophobicContact CB-CG 4.41Å; E1622-P1692 HydrophobicContact CG-CG 4.41Å; V1623-P1692 CarbonylContact O-C 3.51Å; V1623-P1692 VanDerWaalsContact O-CA 3.3Å; V1623-P1692 WeakPolarHBondContact O-CA 3.32Å; V1623-P1692 WeakPolarHBondContact O-CB 3.37Å; P1692-F1694 PolarHBondContact O-N 3.32Å; P1692-F1694 VanDerWaalsContact O-N 3.16Å; P1692-S1695 VanDerWaalsContact CG-OG 3.26Å; P1692-S1695 WeakPolarHBondContact CG-OG 3.22Å; P1692-Q1725 VanDerWaalsContact O-CG 3.29Å; P1692-Q1725 WeakPolarHBondContact O-CG 3.37Å; P1692-Q1725 PolarHBondContact O-NE2 3Å; P1692-Q1725 VanDerWaalsContact O-NE2 3.11Å
1693	T	90.9	Very high	71.3	Confident	3.8 Å²	3.8	57.3 Å²	57.3	2%	0.023	32%	0.322	C	S	.	.	S	Bend	trans	-58.4	-32.4	172.9	-61.7	0	0	0	0	111.9	V1623 G1624 F1626 H1664 I1724 Q1725 V1727	V1623-T1693 PolarHBondContact O-N 3.23Å; G1624-T1693 VanDerWaalsContact O-CB 3.27Å; G1624-T1693 WeakPolarHBondContact O-CB 3.39Å; G1624-T1693 PolarHBondContact O-N 2.95Å; G1624-T1693 VanDerWaalsContact O-N 3.09Å; G1624-T1693 PolarHBondContact O-OG1 2.99Å; F1626-T1693 HydrophobicContact CB-CG2 3.9Å; H1664-T1693 PolarHBondContact CD2-OG1 3.16Å; H1664-T1693 VanDerWaalsContact CD2-OG1 3.31Å; T1693-I1724 CarbonylContact O-C 3.54Å; T1693-I1724 WeakPolarHBondContact O-CA 3.24Å; T1693-Q1725 WeakPolarHBondContact CG2-O 3.4Å; T1693-Q1725 PolarHBondContact O-N 3.12Å; T1693-V1727 HydrophobicContact CG2-CG1 3.88Å; T1693-V1727 VanDerWaalsContact CG2-CG1 3.42Å; T1693-V1727 HydrophobicContact CG2-CG2 3.58Å; T1693-V1727 VanDerWaalsContact CG2-CG2 3.49Å
1694	F	93.5	Very high	73	Confident	25.8 Å²	25.8	58 Å²	58	11%	0.113	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132	176.9	171.8	-75.1	0	0	0	110.1	M1621 E1622 V1623 F1626 P1692 M1696 L1722 R1723 I1724	M1621-F1694 HydrophobicContact CB-CE1 4.47Å; M1621-F1694 HydrophobicContact CE-CD1 4.39Å; M1621-F1694 HydrophobicContact CE-CE1 3.98Å; M1621-F1694 HydrophobicContact CE-CZ 4.19Å; M1621-F1694 HydrophobicContact CG-CE1 4.15Å; M1621-F1694 HydrophobicContact SD-CE1 4.04Å; E1622-F1694 CarbonylContact C-O 3.55Å; E1622-F1694 WeakPolarHBondContact CA-O 3.33Å; V1623-F1694 HydrophobicContact CB-CB 4.14Å; V1623-F1694 HydrophobicContact CB-CD1 4.47Å; V1623-F1694 HydrophobicContact CG2-CB 4.35Å; V1623-F1694 HydrophobicContact CG2-CD1 3.99Å; V1623-F1694 HydrophobicContact CG2-CG 4.44Å; V1623-F1694 PolarHBondContact N-O 3.19Å; V1623-F1694 PolarHBondContact O-N 3.15Å; V1623-F1694 VanDerWaalsContact O-N 3.16Å; F1626-F1694 HydrophobicContact CB-CB 4.48Å; P1692-F1694 PolarHBondContact O-N 3.32Å; P1692-F1694 VanDerWaalsContact O-N 3.16Å; F1694-M1696 HydrophobicContact CE1-CB 3.7Å; F1694-M1696 HydrophobicContact CZ-CB 3.96Å; F1694-M1696 HydrophobicContact CZ-SD 4.41Å; F1694-L1722 HydrophobicContact CE1-CD2 4.27Å; F1694-L1722 HydrophobicContact CE2-CD1 3.65Å; F1694-L1722 HydrophobicContact CE2-CD2 4.22Å; F1694-L1722 HydrophobicContact CE2-CG 3.93Å; F1694-L1722 HydrophobicContact CZ-CD1 3.96Å; F1694-L1722 HydrophobicContact CZ-CD2 3.43Å; F1694-L1722 VanDerWaalsContact CZ-CD2 3.43Å; F1694-L1722 HydrophobicContact CZ-CG 4.28Å; F1694-R1723 CarbonylContact C-O 3.55Å; F1694-R1723 WeakPolarHBondContact CA-O 3.38Å; F1694-I1724 HydrophobicContact CB-CG1 4.48Å; F1694-I1724 HydrophobicContact CD2-CD1 4.07Å; F1694-I1724 HydrophobicContact CD2-CG1 3.74Å; F1694-I1724 HydrophobicContact CE2-CD1 4.4Å; F1694-I1724 HydrophobicContact CE2-CG1 4.42Å; F1694-I1724 HydrophobicContact CG-CG1 4.47Å
1695	S	94.3	Very high	74.6	Confident	3.8 Å²	3.8	60.3 Å²	60.3	3%	0.027	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.7	167.6	-1.5	0	0	0	0	110.7	P1314 M1621 E1622 P1692 L1722 R1723	P1314-S1695 WeakPolarHBondContact CG-OG 3.36Å; M1621-S1695 CarbonylContact O-C 3.54Å; M1621-S1695 VanDerWaalsContact O-CA 3.28Å; M1621-S1695 WeakPolarHBondContact O-CA 3.43Å; E1622-S1695 PolarHBondContact OE1-OG 2.96Å; P1692-S1695 VanDerWaalsContact CG-OG 3.26Å; P1692-S1695 WeakPolarHBondContact CG-OG 3.22Å; S1695-L1722 CarbonylContact O-C 3.54Å; S1695-L1722 WeakPolarHBondContact O-CA 3.29Å; S1695-R1723 PolarHBondContact N-O 3.1Å; S1695-R1723 PolarHBondContact O-N 3.13Å; S1695-R1723 PolarHBondContact OG-NE 2.91Å; S1695-R1723 PolarHBondContact OG-NH2 3Å
1696	M	95.4	Very high	75.6	Confident	44.6 Å²	44.6	62.1 Å²	62.1	22%	0.22	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140	179	168	179.8	159.9	0	0	109.3	E1620 M1621 F1694 L1698 L1720 T1721 L1722	E1620-M1696 CarbonylContact C-O 3.53Å; E1620-M1696 VanDerWaalsContact CA-O 3.24Å; E1620-M1696 WeakPolarHBondContact CA-O 3.45Å; M1621-M1696 HydrophobicContact CB-CB 4.31Å; M1621-M1696 PolarHBondContact N-O 3.18Å; M1621-M1696 PolarHBondContact O-N 3.03Å; F1694-M1696 HydrophobicContact CE1-CB 3.7Å; F1694-M1696 HydrophobicContact CZ-CB 3.96Å; F1694-M1696 HydrophobicContact CZ-SD 4.41Å; M1696-L1698 HydrophobicContact CE-CB 4.33Å; M1696-L1698 HydrophobicContact CE-CD2 4.36Å; M1696-L1720 HydrophobicContact CE-CD1 3.64Å; M1696-L1720 HydrophobicContact CG-CD1 3.81Å; M1696-L1720 HydrophobicContact SD-CD1 4.05Å; M1696-T1721 CarbonylContact C-O 3.43Å; M1696-T1721 VanDerWaalsContact CA-O 3.27Å; M1696-T1721 WeakPolarHBondContact CA-O 3.41Å; M1696-T1721 WeakPolarHBondContact CG-O 3.4Å; M1696-L1722 HydrophobicContact CB-CD2 3.63Å; M1696-L1722 HydrophobicContact CG-CD2 3.73Å; M1696-L1722 HydrophobicContact SD-CD2 4.09Å
1697	A	94.9	Very high	76.6	Confident	6.6 Å²	6.6	59 Å²	59	6%	0.055	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	132.4	170.4	0	0	0	0	0	109.6	P1291 L1292 P1314 V1619 E1620 L1720 T1721	P1291-A1697 HydrophobicContact CB-CB 3.89Å; P1291-A1697 HydrophobicContact CG-CB 4.08Å; L1292-A1697 HydrophobicContact CD2-CB 3.71Å; L1292-A1697 HydrophobicContact CG-CB 4.41Å; P1314-A1697 HydrophobicContact CB-CB 4.19Å; V1619-A1697 CarbonylContact O-C 3.54Å; V1619-A1697 WeakPolarHBondContact O-CA 3.29Å; E1620-A1697 HydrophobicContact CB-CB 4.5Å; E1620-A1697 HydrophobicContact CG-CB 4.17Å; A1697-L1720 CarbonylContact O-C 3.51Å; A1697-T1721 WeakPolarHBondContact CB-OG1 3.36Å; A1697-T1721 PolarHBondContact N-O 2.96Å; A1697-T1721 PolarHBondContact N-OG1 2.82Å; A1697-T1721 PolarHBondContact O-N 3.16Å; A1697-T1721 PolarHBondContact O-OG1 3.02Å; A1697-T1721 VanDerWaalsContact O-OG1 3.1Å
1698	L	94.3	Very high	77.4	Confident	34.6 Å²	34.6	62 Å²	62	18%	0.181	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.9	-176.6	174.4	68.6	0	0	0	109.3	Y1618 V1619 M1696 F1718 I1719 L1720	Y1618-L1698 WeakPolarHBondContact CA-O 3.38Å; V1619-L1698 HydrophobicContact CB-CB 4.27Å; V1619-L1698 HydrophobicContact CB-CD2 4.44Å; V1619-L1698 HydrophobicContact CG2-CD2 4.46Å; V1619-L1698 PolarHBondContact N-O 3.21Å; V1619-L1698 PolarHBondContact O-N 2.84Å; M1696-L1698 HydrophobicContact CE-CB 4.33Å; M1696-L1698 HydrophobicContact CE-CD2 4.36Å; L1698-F1718 HydrophobicContact CD1-CB 4.33Å; L1698-F1718 HydrophobicContact CD1-CD1 4.29Å; L1698-I1719 WeakPolarHBondContact CA-O 3.33Å; L1698-L1720 HydrophobicContact CB-CD1 4.39Å; L1698-L1720 HydrophobicContact CD1-CB 4.02Å; L1698-L1720 HydrophobicContact CD1-CD1 4.37Å
1699	E	93.7	Very high	77.7	Confident	23.2 Å²	23.2	63 Å²	63	11%	0.108	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.1	162.3	-175.5	174.4	131.8	0	0	108.9	L1292 L1616 Y1618 R1701 F1718 I1719	L1292-E1699 HydrophobicContact CD1-CB 3.98Å; L1616-E1699 HydrophobicContact CD1-CG 3.76Å; Y1618-E1699 HydrophobicContact CD1-CB 4.01Å; Y1618-E1699 HydrophobicContact CD1-CG 4.17Å; Y1618-E1699 HydrophobicContact CE1-CB 3.67Å; Y1618-E1699 HydrophobicContact CE1-CG 3.52Å; Y1618-E1699 VanDerWaalsContact CE1-CG 3.47Å; Y1618-E1699 WeakPolarHBondContact CE1-OE2 3.32Å; Y1618-E1699 VanDerWaalsContact CZ-OE2 3.31Å; Y1618-E1699 PolarHBondContact OH-OE2 2.99Å; E1699-R1701 VanDerWaalsContact CD-CZ 3.42Å; E1699-R1701 HydrophobicContact CG-CG 4.21Å; E1699-R1701 WeakPolarHBondContact OE1-CD 3.33Å; E1699-R1701 IonicContact OE1-CZ 2.7Å; E1699-R1701 IonicContact OE1-NE 3.44Å; E1699-R1701 PolarHBondContact OE1-NE 3.29Å; E1699-R1701 IonicContact OE1-NH1 3.56Å; E1699-R1701 PolarHBondContact OE1-NH1 3.02Å; E1699-R1701 IonicContact OE1-NH2 3.89Å; E1699-R1701 PolarHBondContact OE1-NH2 3.04Å; E1699-R1701 IonicContact OE2-CZ 2.92Å; E1699-R1701 IonicContact OE2-NE 3.47Å; E1699-R1701 IonicContact OE2-NH2 3.34Å; E1699-R1701 PolarHBondContact OE2-NH2 2.7Å; E1699-F1718 VanDerWaalsContact O-CA 3.3Å; E1699-F1718 WeakPolarHBondContact O-CA 3.36Å; E1699-I1719 HydrophobicContact CB-CB 4.24Å; E1699-I1719 PolarHBondContact N-O 2.96Å; E1699-I1719 PolarHBondContact O-N 3.11Å
1700	H	91.8	Very high	77.5	Confident	39 Å²	39	60.9 Å²	60.9	18%	0.181	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.5	167	169.3	-128.3	0	0	0	109.3	L1616 N1617 D1716 F1718	L1616-H1700 WeakPolarHBondContact CA-O 3.37Å; N1617-H1700 HydrophobicContact CB-CB 4.48Å; N1617-H1700 PolarHBondContact N-O 3.02Å; N1617-H1700 PolarHBondContact O-N 3.05Å; H1700-D1716 IonicContact NE2-OD1 2.81Å; H1700-F1718 HydrophobicContact CB-CD1 3.93Å; H1700-F1718 HydrophobicContact CB-CE1 3.86Å; H1700-F1718 AromaticContact CD2-CD1 3.74Å; H1700-F1718 AromaticContact CD2-CE1 3.23Å; H1700-F1718 WeakPolarHBondContact CD2-CE1 3.33Å; H1700-F1718 AromaticContact CD2-CE2 3.89Å; H1700-F1718 AromaticContact CD2-CZ 3.33Å; H1700-F1718 WeakPolarHBondContact CD2-CZ 3.4Å; H1700-F1718 AromaticContact CG-CD1 3.97Å; H1700-F1718 AromaticContact CG-CE1 3.57Å; H1700-F1718 VanDerWaalsContact CG-CE1 3.46Å; H1700-F1718 AromaticContact CG-CZ 3.96Å; H1700-F1718 AromaticContact NE2-CE1 3.96Å; H1700-F1718 AromaticContact NE2-CZ 3.69Å
1701	R	88	Confident	76.6	Confident	90.8 Å²	90.8	60.6 Å²	60.6	34%	0.343	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120.5	-178	-160.9	179.4	145.8	177.7	9.4	111.7	N1615 L1616 E1699 I1703 E1717	N1615-R1701 CarbonylContact O-C 3.5Å; N1615-R1701 VanDerWaalsContact O-CA 3.28Å; N1615-R1701 WeakPolarHBondContact O-CA 3.39Å; L1616-R1701 HydrophobicContact CD1-CB 4.27Å; L1616-R1701 HydrophobicContact CD1-CG 4.13Å; L1616-R1701 VanDerWaalsContact CD1-CG 3.42Å; E1699-R1701 VanDerWaalsContact CD-CZ 3.42Å; E1699-R1701 HydrophobicContact CG-CG 4.21Å; E1699-R1701 WeakPolarHBondContact OE1-CD 3.33Å; E1699-R1701 IonicContact OE1-CZ 2.7Å; E1699-R1701 IonicContact OE1-NE 3.44Å; E1699-R1701 PolarHBondContact OE1-NE 3.29Å; E1699-R1701 IonicContact OE1-NH1 3.56Å; E1699-R1701 PolarHBondContact OE1-NH1 3.02Å; E1699-R1701 IonicContact OE1-NH2 3.89Å; E1699-R1701 PolarHBondContact OE1-NH2 3.04Å; E1699-R1701 IonicContact OE2-CZ 2.92Å; E1699-R1701 IonicContact OE2-NE 3.47Å; E1699-R1701 IonicContact OE2-NH2 3.34Å; E1699-R1701 PolarHBondContact OE2-NH2 2.7Å; R1701-I1703 HydrophobicContact CG-CG1 4.31Å; R1701-E1717 HydrophobicContact CB-CB 4.35Å; R1701-E1717 WeakPolarHBondContact CD-OE2 3.45Å; R1701-E1717 IonicContact CZ-OE2 3.11Å; R1701-E1717 PolarHBondContact N-O 2.91Å; R1701-E1717 IonicContact NE-OE2 3.18Å; R1701-E1717 PolarHBondContact NE-OE2 2.83Å; R1701-E1717 VanDerWaalsContact NE-OE2 3.13Å; R1701-E1717 IonicContact NH1-OE2 3.21Å; R1701-E1717 PolarHBondContact NH1-OE2 3.13Å; R1701-E1717 IonicContact NH2-OE1 3.3Å; R1701-E1717 IonicContact NH2-OE2 3.35Å; R1701-E1717 PolarHBondContact NH2-OE2 2.85Å; R1701-E1717 PolarHBondContact O-N 2.98Å
1702	Q	83.3	Confident	75.1	Confident	70.2 Å²	70.2	60.6 Å²	60.6	33%	0.328	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	117	173.7	-177.3	163.7	65.3	0	0	111.2	N1615 Y1714 D1715 D1716	N1615-Q1702 HydrophobicContact CB-CB 4.13Å; N1615-Q1702 WeakPolarHBondContact CB-O 3.44Å; N1615-Q1702 PolarHBondContact ND2-O 2.82Å; N1615-Q1702 PolarHBondContact O-N 3.07Å; Q1702-Y1714 HydrophobicContact CG-CD1 3.83Å; Q1702-Y1714 HydrophobicContact CG-CG 4.4Å; Q1702-D1715 CarbonylContact C-O 3.57Å; Q1702-D1715 WeakPolarHBondContact CA-O 3.33Å; Q1702-D1715 WeakPolarHBondContact CG-O 3.46Å; Q1702-D1716 VanDerWaalsContact CG-OD1 3.3Å; Q1702-D1716 WeakPolarHBondContact CG-OD1 3.32Å; Q1702-D1716 PolarHBondContact NE2-OD1 2.86Å
1703	I	77.7	Confident	73.7	Confident	42 Å²	42	63.1 Å²	63.1	22%	0.215	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.2	-175.9	-54.2	179.1	0	0	0	110.1	R1701 R1705 Y1714 D1715 E1717	R1701-I1703 HydrophobicContact CG-CG1 4.31Å; I1703-R1705 VanDerWaalsContact C-N 3.34Å; I1703-R1705 HydrophobicContact CG2-CG 4.15Å; I1703-R1705 PolarHBondContact O-N 2.85Å; I1703-Y1714 WeakPolarHBondContact O-CA 3.43Å; I1703-D1715 WeakPolarHBondContact CA-O 3.47Å; I1703-D1715 HydrophobicContact CB-CB 4.45Å; I1703-D1715 WeakPolarHBondContact CB-O 3.41Å; I1703-D1715 PolarHBondContact N-O 2.98Å; I1703-D1715 PolarHBondContact O-N 2.91Å; I1703-E1717 HydrophobicContact CD1-CB 4.1Å; I1703-E1717 HydrophobicContact CD1-CG 4.34Å; I1703-E1717 WeakPolarHBondContact CD1-OE2 3.42Å; I1703-E1717 HydrophobicContact CG1-CB 4.12Å
1704	H	68.8	Low	72.3	Confident	93.8 Å²	93.8	66.9 Å²	66.9	43%	0.434	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	107.8	174.7	-175.6	-101.4	0	0	0	111.6	L1706 S1712 Y1714	H1704-L1706 VanDerWaalsContact CE1-CD1 3.43Å; H1704-L1706 WeakPolarHBondContact CE1-CD1 3.38Å; H1704-L1706 PolarHBondContact O-N 2.9Å; H1704-S1712 WeakPolarHBondContact NE2-CB 3.31Å; H1704-Y1714 HydrophobicContact CB-CD1 4.12Å; H1704-Y1714 HydrophobicContact CB-CE1 3.94Å; H1704-Y1714 AromaticContact CD2-CD1 3.98Å; H1704-Y1714 AromaticContact CD2-CE1 3.54Å; H1704-Y1714 VanDerWaalsContact CD2-CE1 3.49Å; H1704-Y1714 WeakPolarHBondContact CD2-CE1 3.46Å; H1704-Y1714 AromaticContact CD2-CE2 3.98Å; H1704-Y1714 AromaticContact CD2-CZ 3.59Å; H1704-Y1714 VanDerWaalsContact CD2-CZ 3.49Å; H1704-Y1714 AromaticContact CG-CE1 3.95Å
1705	R	60.7	Low	71.3	Confident	118.4 Å²	118.4	66.8 Å²	66.8	45%	0.447	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.7	173.2	-67.7	-176	178.7	159	1.9	110.4	I1703 S1707 T1713 D1715	I1703-R1705 VanDerWaalsContact C-N 3.34Å; I1703-R1705 HydrophobicContact CG2-CG 4.15Å; I1703-R1705 PolarHBondContact O-N 2.85Å; R1705-S1707 PolarHBondContact O-N 3.23Å; R1705-T1713 WeakPolarHBondContact CD-O 3.43Å; R1705-T1713 PolarHBondContact N-O 3.11Å; R1705-T1713 PolarHBondContact O-N 3.06Å; R1705-T1713 VanDerWaalsContact O-O 3.12Å; R1705-D1715 VanDerWaalsContact CD-OD2 3.27Å; R1705-D1715 WeakPolarHBondContact CD-OD2 3.31Å; R1705-D1715 IonicContact CZ-OD2 2.98Å; R1705-D1715 VanDerWaalsContact CZ-OD2 3.28Å; R1705-D1715 IonicContact NE-OD2 3.23Å; R1705-D1715 PolarHBondContact NE-OD2 3.43Å; R1705-D1715 VanDerWaalsContact NE-OD2 3.11Å; R1705-D1715 IonicContact NH1-OD2 3.34Å; R1705-D1715 PolarHBondContact NH1-OD2 3.09Å; R1705-D1715 IonicContact NH2-OD2 3.27Å; R1705-D1715 PolarHBondContact NH2-OD2 2.85Å
1706	L	54.2	Low	70.8	Confident	136.2 Å²	136.2	67.7 Å²	67.7	71%	0.713	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	122	161.4	-76.6	88.8	0	0	0	108.1	H1704	H1704-L1706 VanDerWaalsContact CE1-CD1 3.43Å; H1704-L1706 WeakPolarHBondContact CE1-CD1 3.38Å; H1704-L1706 PolarHBondContact O-N 2.9Å
1707	S	54.5	Low	70.4	Confident	38.2 Å²	38.2	67.4 Å²	67.4	27%	0.267	36%	0.362	S	S	.	.			trans	-79.4	152.5	166.8	73	0	0	0	0	110.6	R1705 S1709 G1710 N1711	R1705-S1707 PolarHBondContact O-N 3.23Å; S1707-S1709 PolarHBondContact O-N 2.95Å; S1707-S1709 PolarHBondContact OG-N 2.81Å; S1707-S1709 PolarHBondContact OG-OG 2.99Å; S1707-G1710 PolarHBondContact O-N 3.02Å; S1707-N1711 WeakPolarHBondContact CB-O 3.44Å; S1707-N1711 PolarHBondContact N-O 3.01Å; S1707-N1711 VanDerWaalsContact N-O 3.1Å; S1707-N1711 PolarHBondContact OG-N 3.05Å; S1707-N1711 PolarHBondContact OG-O 2.93Å
1708	D	52.3	Low	70.2	Confident	180.8 Å²	180.8	69.5 Å²	69.5	97%	0.967	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-9.5	174.6	-63.4	-39.9	0	0	0	113.4	G1710	D1708-G1710 VanDerWaalsContact C-N 3.31Å; D1708-G1710 PolarHBondContact O-N 3.31Å
1709	S	53.3	Low	70.1	Confident	81 Å²	81	68.6 Å²	68.6	57%	0.566	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.9	176.6	67.9	0	0	0	0	114.7	S1707 N1711	S1707-S1709 PolarHBondContact O-N 2.95Å; S1707-S1709 PolarHBondContact OG-N 2.81Å; S1707-S1709 PolarHBondContact OG-OG 2.99Å; S1709-N1711 VanDerWaalsContact C-N 3.31Å; S1709-N1711 PolarHBondContact O-N 3.1Å; S1709-N1711 WeakPolarHBondContact OG-CB 3.12Å; S1709-N1711 PolarHBondContact OG-N 2.99Å; S1709-N1711 PolarHBondContact OG-ND2 2.82Å
1710	G	47.8	Very low	70.1	Confident	64.4 Å²	64.4	68.8 Å²	68.8	66%	0.664	37%	0.366	S	S	*	.	S	Bend	trans	82.2	-5.5	-177.8	0	0	0	0	0	115	S1707 D1708	S1707-G1710 PolarHBondContact O-N 3.02Å; D1708-G1710 VanDerWaalsContact C-N 3.31Å; D1708-G1710 PolarHBondContact O-N 3.31Å
1711	N	48.5	Very low	70.2	Confident	102.6 Å²	102.6	67.5 Å²	67.5	55%	0.549	36%	0.362	S	S	.	.			trans	-82.3	131	170.2	-65.2	-23.7	0	0	0	109.7	K1073 S1707 S1709 T1713	K1073-N1711 PolarHBondContact NZ-OD1 3.1Å; S1707-N1711 WeakPolarHBondContact CB-O 3.44Å; S1707-N1711 PolarHBondContact N-O 3.01Å; S1707-N1711 VanDerWaalsContact N-O 3.1Å; S1707-N1711 PolarHBondContact OG-N 3.05Å; S1707-N1711 PolarHBondContact OG-O 2.93Å; S1709-N1711 VanDerWaalsContact C-N 3.31Å; S1709-N1711 PolarHBondContact O-N 3.1Å; S1709-N1711 WeakPolarHBondContact OG-CB 3.12Å; S1709-N1711 PolarHBondContact OG-N 2.99Å; S1709-N1711 PolarHBondContact OG-ND2 2.82Å; N1711-T1713 PolarHBondContact O-N 2.79Å
1712	S	50.2	Low	70.5	Confident	63.6 Å²	63.6	64.6 Å²	64.6	45%	0.445	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	133.6	168.1	50.9	0	0	0	0	110.5	H1704 D1715	H1704-S1712 WeakPolarHBondContact NE2-CB 3.31Å; S1712-D1715 WeakPolarHBondContact CB-OD1 3.45Å; S1712-D1715 PolarHBondContact OG-OD2 3.35Å
1713	T	58.6	Low	71	Confident	61.8 Å²	61.8	62.6 Å²	62.6	38%	0.379	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.9	168.5	58.5	0	0	0	0	109.2	R1705 N1711	R1705-T1713 WeakPolarHBondContact CD-O 3.43Å; R1705-T1713 PolarHBondContact N-O 3.11Å; R1705-T1713 PolarHBondContact O-N 3.06Å; R1705-T1713 VanDerWaalsContact O-O 3.12Å; N1711-T1713 PolarHBondContact O-N 2.79Å
1714	Y	61.6	Low	71.7	Confident	83.6 Å²	83.6	61.9 Å²	61.9	33%	0.328	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.7	173.8	-64.4	-88.6	0	0	0	108.9	N1439 Q1702 I1703 H1704 P1807 A1808 A1865	N1439-Y1714 PolarHBondContact ND2-OH 2.76Å; Q1702-Y1714 HydrophobicContact CG-CD1 3.83Å; Q1702-Y1714 HydrophobicContact CG-CG 4.4Å; I1703-Y1714 WeakPolarHBondContact O-CA 3.43Å; H1704-Y1714 HydrophobicContact CB-CD1 4.12Å; H1704-Y1714 HydrophobicContact CB-CE1 3.94Å; H1704-Y1714 AromaticContact CD2-CD1 3.98Å; H1704-Y1714 AromaticContact CD2-CE1 3.54Å; H1704-Y1714 VanDerWaalsContact CD2-CE1 3.49Å; H1704-Y1714 WeakPolarHBondContact CD2-CE1 3.46Å; H1704-Y1714 AromaticContact CD2-CE2 3.98Å; H1704-Y1714 AromaticContact CD2-CZ 3.59Å; H1704-Y1714 VanDerWaalsContact CD2-CZ 3.49Å; H1704-Y1714 AromaticContact CG-CE1 3.95Å; Y1714-P1807 VanDerWaalsContact O-CB 3.28Å; Y1714-P1807 WeakPolarHBondContact O-CB 3.41Å; Y1714-A1808 WeakPolarHBondContact CA-O 3.24Å; Y1714-A1808 HydrophobicContact CD1-CB 3.84Å; Y1714-A1808 HydrophobicContact CE1-CB 4.11Å; Y1714-A1808 HydrophobicContact CG-CB 4.24Å; Y1714-A1865 HydrophobicContact CE1-CB 4.44Å
1715	D	74	Confident	72.8	Confident	23.2 Å²	23.2	58 Å²	58	12%	0.124	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.6	174.4	-62.8	-10.5	0	0	0	107.9	Q1702 I1703 R1705 S1712 P1807 A1808	Q1702-D1715 CarbonylContact C-O 3.57Å; Q1702-D1715 WeakPolarHBondContact CA-O 3.33Å; Q1702-D1715 WeakPolarHBondContact CG-O 3.46Å; I1703-D1715 WeakPolarHBondContact CA-O 3.47Å; I1703-D1715 HydrophobicContact CB-CB 4.45Å; I1703-D1715 WeakPolarHBondContact CB-O 3.41Å; I1703-D1715 PolarHBondContact N-O 2.98Å; I1703-D1715 PolarHBondContact O-N 2.91Å; R1705-D1715 VanDerWaalsContact CD-OD2 3.27Å; R1705-D1715 WeakPolarHBondContact CD-OD2 3.31Å; R1705-D1715 IonicContact CZ-OD2 2.98Å; R1705-D1715 VanDerWaalsContact CZ-OD2 3.28Å; R1705-D1715 IonicContact NE-OD2 3.23Å; R1705-D1715 PolarHBondContact NE-OD2 3.43Å; R1705-D1715 VanDerWaalsContact NE-OD2 3.11Å; R1705-D1715 IonicContact NH1-OD2 3.34Å; R1705-D1715 PolarHBondContact NH1-OD2 3.09Å; R1705-D1715 IonicContact NH2-OD2 3.27Å; R1705-D1715 PolarHBondContact NH2-OD2 2.85Å; S1712-D1715 WeakPolarHBondContact CB-OD1 3.45Å; S1712-D1715 PolarHBondContact OG-OD2 3.35Å; D1715-P1807 HydrophobicContact CB-CB 4.03Å; D1715-A1808 CarbonylContact C-O 3.55Å; D1715-A1808 VanDerWaalsContact CA-O 3.24Å; D1715-A1808 WeakPolarHBondContact CA-O 3.44Å; D1715-A1808 HydrophobicContact CB-CB 4.49Å; D1715-A1808 PolarHBondContact N-O 3.33Å; D1715-A1808 VanDerWaalsContact N-O 3.07Å
1716	D	83	Confident	74.2	Confident	22.4 Å²	22.4	53.2 Å²	53.2	12%	0.12	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.3	177.1	-64.3	-25.4	0	0	0	110.2	H1700 Q1702 F1718 P1807 A1808 C1809 L1810	H1700-D1716 IonicContact NE2-OD1 2.81Å; Q1702-D1716 VanDerWaalsContact CG-OD1 3.3Å; Q1702-D1716 WeakPolarHBondContact CG-OD1 3.32Å; Q1702-D1716 PolarHBondContact NE2-OD1 2.86Å; D1716-F1718 HydrophobicContact CB-CD2 4.36Å; D1716-F1718 HydrophobicContact CB-CE2 3.74Å; D1716-F1718 HydrophobicContact CB-CZ 4.37Å; D1716-P1807 HydrophobicContact CB-CG 4.41Å; D1716-P1807 WeakPolarHBondContact OD2-CG 3.38Å; D1716-A1808 PolarHBondContact N-O 3.16Å; D1716-C1809 CarbonylContact O-C 3.56Å; D1716-C1809 WeakPolarHBondContact O-CA 3.29Å; D1716-L1810 PolarHBondContact O-N 3.02Å
1717	E	87.6	Confident	75.9	Confident	39.2 Å²	39.2	46.8 Å²	46.8	18%	0.183	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128	175.6	-179.2	175.2	-140.5	0	0	109.4	R1701 I1703 I1719 L1810	R1701-E1717 HydrophobicContact CB-CB 4.35Å; R1701-E1717 WeakPolarHBondContact CD-OE2 3.45Å; R1701-E1717 IonicContact CZ-OE2 3.11Å; R1701-E1717 PolarHBondContact N-O 2.91Å; R1701-E1717 IonicContact NE-OE2 3.18Å; R1701-E1717 PolarHBondContact NE-OE2 2.83Å; R1701-E1717 VanDerWaalsContact NE-OE2 3.13Å; R1701-E1717 IonicContact NH1-OE2 3.21Å; R1701-E1717 PolarHBondContact NH1-OE2 3.13Å; R1701-E1717 IonicContact NH2-OE1 3.3Å; R1701-E1717 IonicContact NH2-OE2 3.35Å; R1701-E1717 PolarHBondContact NH2-OE2 2.85Å; R1701-E1717 PolarHBondContact O-N 2.98Å; I1703-E1717 HydrophobicContact CD1-CB 4.1Å; I1703-E1717 HydrophobicContact CD1-CG 4.34Å; I1703-E1717 WeakPolarHBondContact CD1-OE2 3.42Å; I1703-E1717 HydrophobicContact CG1-CB 4.12Å; E1717-I1719 HydrophobicContact CG-CG1 4.44Å; E1717-L1810 WeakPolarHBondContact CA-O 3.38Å; E1717-L1810 HydrophobicContact CB-CB 4.45Å; E1717-L1810 HydrophobicContact CG-CB 4.31Å
1718	F	89.8	Confident	77.6	Confident	51.2 Å²	51.2	45 Å²	45	23%	0.225	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.6	177.7	-66.4	-92	0	0	0	109.7	L1698 E1699 H1700 D1716 L1810 F1811 S1812	L1698-F1718 HydrophobicContact CD1-CB 4.33Å; L1698-F1718 HydrophobicContact CD1-CD1 4.29Å; E1699-F1718 VanDerWaalsContact O-CA 3.3Å; E1699-F1718 WeakPolarHBondContact O-CA 3.36Å; H1700-F1718 HydrophobicContact CB-CD1 3.93Å; H1700-F1718 HydrophobicContact CB-CE1 3.86Å; H1700-F1718 AromaticContact CD2-CD1 3.74Å; H1700-F1718 AromaticContact CD2-CE1 3.23Å; H1700-F1718 WeakPolarHBondContact CD2-CE1 3.33Å; H1700-F1718 AromaticContact CD2-CE2 3.89Å; H1700-F1718 AromaticContact CD2-CZ 3.33Å; H1700-F1718 WeakPolarHBondContact CD2-CZ 3.4Å; H1700-F1718 AromaticContact CG-CD1 3.97Å; H1700-F1718 AromaticContact CG-CE1 3.57Å; H1700-F1718 VanDerWaalsContact CG-CE1 3.46Å; H1700-F1718 AromaticContact CG-CZ 3.96Å; H1700-F1718 AromaticContact NE2-CE1 3.96Å; H1700-F1718 AromaticContact NE2-CZ 3.69Å; D1716-F1718 HydrophobicContact CB-CD2 4.36Å; D1716-F1718 HydrophobicContact CB-CE2 3.74Å; D1716-F1718 HydrophobicContact CB-CZ 4.37Å; F1718-L1810 PolarHBondContact N-O 3.21Å; F1718-F1811 HydrophobicContact CB-CB 4.44Å; F1718-F1811 HydrophobicContact CB-CD2 3.59Å; F1718-F1811 HydrophobicContact CB-CE2 4.05Å; F1718-F1811 HydrophobicContact CB-CG 4.4Å; F1718-F1811 HydrophobicContact CD2-CD2 4.25Å; F1718-F1811 HydrophobicContact CG-CD2 4.18Å; F1718-F1811 HydrophobicContact CG-CE2 4.28Å; F1718-F1811 WeakPolarHBondContact O-CA 3.05Å; F1718-S1812 PolarHBondContact O-N 3.14Å
1719	I	91.7	Very high	79.4	Confident	16 Å²	16	40.1 Å²	40.1	8%	0.082	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	101	173.4	-53.4	175.6	0	0	0	107.6	Y1312 L1698 E1699 E1717 T1721 S1812	Y1312-I1719 HydrophobicContact CD1-CG2 4.34Å; Y1312-I1719 HydrophobicContact CD2-CG2 3.88Å; Y1312-I1719 HydrophobicContact CE1-CD1 4.35Å; Y1312-I1719 HydrophobicContact CE2-CD1 4.26Å; Y1312-I1719 HydrophobicContact CE2-CG2 4.24Å; Y1312-I1719 HydrophobicContact CG-CG2 3.93Å; L1698-I1719 WeakPolarHBondContact CA-O 3.33Å; E1699-I1719 HydrophobicContact CB-CB 4.24Å; E1699-I1719 PolarHBondContact N-O 2.96Å; E1699-I1719 PolarHBondContact O-N 3.11Å; E1717-I1719 HydrophobicContact CG-CG1 4.44Å; I1719-T1721 HydrophobicContact CG2-CG2 4.47Å; I1719-S1812 CarbonylContact C-O 3.42Å; I1719-S1812 WeakPolarHBondContact CA-O 3.43Å
1720	L	93.8	Very high	80.9	Confident	26 Å²	26	36.6 Å²	36.6	14%	0.136	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.9	176.1	174.9	60.7	0	0	0	109.9	M1696 A1697 L1698 L1722 F1811 S1812 Q1813 H1814	M1696-L1720 HydrophobicContact CE-CD1 3.64Å; M1696-L1720 HydrophobicContact CG-CD1 3.81Å; M1696-L1720 HydrophobicContact SD-CD1 4.05Å; A1697-L1720 CarbonylContact O-C 3.51Å; L1698-L1720 HydrophobicContact CB-CD1 4.39Å; L1698-L1720 HydrophobicContact CD1-CB 4.02Å; L1698-L1720 HydrophobicContact CD1-CD1 4.37Å; L1720-L1722 HydrophobicContact CD1-CD1 4.3Å; L1720-L1722 HydrophobicContact CD1-CD2 4.33Å; L1720-L1722 HydrophobicContact CD1-CG 3.95Å; L1720-L1722 HydrophobicContact CD2-CD1 3.88Å; L1720-L1722 HydrophobicContact CD2-CG 4.42Å; L1720-L1722 HydrophobicContact CG-CD1 4.04Å; L1720-L1722 HydrophobicContact CG-CG 4.06Å; L1720-F1811 HydrophobicContact CB-CE2 3.69Å; L1720-F1811 HydrophobicContact CB-CZ 4.29Å; L1720-F1811 HydrophobicContact CD2-CE1 4.5Å; L1720-F1811 HydrophobicContact CD2-CE2 4.2Å; L1720-F1811 HydrophobicContact CD2-CZ 3.97Å; L1720-S1812 PolarHBondContact N-O 3.28Å; L1720-Q1813 HydrophobicContact CB-CG 4.47Å; L1720-Q1813 HydrophobicContact CD2-CG 4.42Å; L1720-Q1813 CarbonylContact O-C 3.53Å; L1720-Q1813 VanDerWaalsContact O-CA 3.29Å; L1720-Q1813 WeakPolarHBondContact O-CA 3.34Å; L1720-H1814 PolarHBondContact O-N 3.28Å
1721	T	94.2	Very high	82.3	Confident	13 Å²	13	36.7 Å²	36.7	8%	0.08	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.5	168.2	55.9	0	0	0	0	109.7	L1292 Y1312 M1696 A1697 I1719 H1814	L1292-T1721 HydrophobicContact CD2-CG2 3.5Å; L1292-T1721 VanDerWaalsContact CD2-CG2 3.47Å; L1292-T1721 WeakPolarHBondContact CD2-OG1 3.42Å; Y1312-T1721 VanDerWaalsContact CB-CG2 3.47Å; Y1312-T1721 VanDerWaalsContact O-CG2 3.29Å; Y1312-T1721 WeakPolarHBondContact O-CG2 3.36Å; M1696-T1721 CarbonylContact C-O 3.43Å; M1696-T1721 VanDerWaalsContact CA-O 3.27Å; M1696-T1721 WeakPolarHBondContact CA-O 3.41Å; M1696-T1721 WeakPolarHBondContact CG-O 3.4Å; A1697-T1721 WeakPolarHBondContact CB-OG1 3.36Å; A1697-T1721 PolarHBondContact N-O 2.96Å; A1697-T1721 PolarHBondContact N-OG1 2.82Å; A1697-T1721 PolarHBondContact O-N 3.16Å; A1697-T1721 PolarHBondContact O-OG1 3.02Å; A1697-T1721 VanDerWaalsContact O-OG1 3.1Å; I1719-T1721 HydrophobicContact CG2-CG2 4.47Å; T1721-H1814 CarbonylContact C-O 3.53Å; T1721-H1814 WeakPolarHBondContact CA-O 3.43Å; T1721-H1814 HydrophobicContact CG2-CB 4.24Å
1722	L	94.7	Very high	83.4	Confident	29.6 Å²	29.6	33.2 Å²	33.2	16%	0.155	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.6	-178.7	-168.7	157.7	0	0	0	108.4	F1694 S1695 M1696 L1720 I1724 H1814 L1815 H1816	F1694-L1722 HydrophobicContact CE1-CD2 4.27Å; F1694-L1722 HydrophobicContact CE2-CD1 3.65Å; F1694-L1722 HydrophobicContact CE2-CD2 4.22Å; F1694-L1722 HydrophobicContact CE2-CG 3.93Å; F1694-L1722 HydrophobicContact CZ-CD1 3.96Å; F1694-L1722 HydrophobicContact CZ-CD2 3.43Å; F1694-L1722 VanDerWaalsContact CZ-CD2 3.43Å; F1694-L1722 HydrophobicContact CZ-CG 4.28Å; S1695-L1722 CarbonylContact O-C 3.54Å; S1695-L1722 WeakPolarHBondContact O-CA 3.29Å; M1696-L1722 HydrophobicContact CB-CD2 3.63Å; M1696-L1722 HydrophobicContact CG-CD2 3.73Å; M1696-L1722 HydrophobicContact SD-CD2 4.09Å; L1720-L1722 HydrophobicContact CD1-CD1 4.3Å; L1720-L1722 HydrophobicContact CD1-CD2 4.33Å; L1720-L1722 HydrophobicContact CD1-CG 3.95Å; L1720-L1722 HydrophobicContact CD2-CD1 3.88Å; L1720-L1722 HydrophobicContact CD2-CG 4.42Å; L1720-L1722 HydrophobicContact CG-CD1 4.04Å; L1720-L1722 HydrophobicContact CG-CG 4.06Å; L1722-I1724 HydrophobicContact CD2-CD1 3.89Å; L1722-I1724 HydrophobicContact CD2-CG1 3.85Å; L1722-H1814 PolarHBondContact N-O 2.99Å; L1722-L1815 HydrophobicContact CB-CD2 4Å; L1722-L1815 HydrophobicContact CD1-CD2 4.21Å; L1722-L1815 HydrophobicContact CD2-CD2 4.36Å; L1722-L1815 HydrophobicContact CG-CD2 4.28Å; L1722-L1815 CarbonylContact O-C 3.51Å; L1722-H1816 WeakPolarHBondContact O-CB 3.39Å; L1722-H1816 PolarHBondContact O-CD2 2.88Å; L1722-H1816 PolarHBondContact O-N 3.03Å
1723	R	94	Very high	84	Confident	28.4 Å²	28.4	30.9 Å²	30.9	11%	0.107	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.3	174.1	-179.8	177.6	132.4	-158.8	-1.2	108.8	P1314 E1691 F1694 S1695 Q1725 H1816 E1818	P1314-R1723 HydrophobicContact CG-CB 3.53Å; E1691-R1723 IonicContact OE2-CZ 2.98Å; E1691-R1723 VanDerWaalsContact OE2-CZ 3.27Å; E1691-R1723 IonicContact OE2-NH1 3.63Å; E1691-R1723 PolarHBondContact OE2-NH1 2.93Å; E1691-R1723 IonicContact OE2-NH2 2.99Å; E1691-R1723 PolarHBondContact OE2-NH2 3.02Å; F1694-R1723 CarbonylContact C-O 3.55Å; F1694-R1723 WeakPolarHBondContact CA-O 3.38Å; S1695-R1723 PolarHBondContact N-O 3.1Å; S1695-R1723 PolarHBondContact O-N 3.13Å; S1695-R1723 PolarHBondContact OG-NE 2.91Å; S1695-R1723 PolarHBondContact OG-NH2 3Å; R1723-Q1725 VanDerWaalsContact NH1-NE2 3.19Å; R1723-Q1725 VanDerWaalsContact NH1-OE1 3.12Å; R1723-H1816 CarbonylContact C-O 3.52Å; R1723-H1816 VanDerWaalsContact CA-O 3.27Å; R1723-H1816 WeakPolarHBondContact CA-O 3.33Å; R1723-H1816 HydrophobicContact CB-CB 4.29Å; R1723-H1816 HydrophobicContact CG-CB 4.3Å; R1723-E1818 WeakPolarHBondContact CD-OE2 3.32Å; R1723-E1818 IonicContact CZ-OE1 3.62Å; R1723-E1818 IonicContact CZ-OE2 2.91Å; R1723-E1818 VanDerWaalsContact NE-CD 3.3Å; R1723-E1818 IonicContact NE-OE1 3.07Å; R1723-E1818 PolarHBondContact NE-OE1 2.9Å; R1723-E1818 IonicContact NE-OE2 3.1Å; R1723-E1818 PolarHBondContact NE-OE2 3.15Å; R1723-E1818 IonicContact NH1-OE2 3.48Å; R1723-E1818 IonicContact NH2-OE1 3.53Å; R1723-E1818 IonicContact NH2-OE2 3.1Å; R1723-E1818 PolarHBondContact NH2-OE2 3.22Å
1724	I	92.9	Very high	84	Confident	26 Å²	26	30.6 Å²	30.6	13%	0.133	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.7	170.3	-67.4	174	0	0	0	107.9	T1693 F1694 L1722 V1727 H1816 F1817 E1818 L1820	T1693-I1724 CarbonylContact O-C 3.54Å; T1693-I1724 WeakPolarHBondContact O-CA 3.24Å; F1694-I1724 HydrophobicContact CB-CG1 4.48Å; F1694-I1724 HydrophobicContact CD2-CD1 4.07Å; F1694-I1724 HydrophobicContact CD2-CG1 3.74Å; F1694-I1724 HydrophobicContact CE2-CD1 4.4Å; F1694-I1724 HydrophobicContact CE2-CG1 4.42Å; F1694-I1724 HydrophobicContact CG-CG1 4.47Å; L1722-I1724 HydrophobicContact CD2-CD1 3.89Å; L1722-I1724 HydrophobicContact CD2-CG1 3.85Å; I1724-V1727 HydrophobicContact CG2-CB 4.22Å; I1724-V1727 HydrophobicContact CG2-CG1 3.81Å; I1724-V1727 HydrophobicContact CG2-CG2 3.59Å; I1724-V1727 VanDerWaalsContact CG2-CG2 3.5Å; I1724-H1816 PolarHBondContact N-O 2.99Å; I1724-F1817 HydrophobicContact CB-CD1 4.11Å; I1724-F1817 HydrophobicContact CB-CE1 4.43Å; I1724-F1817 HydrophobicContact CD1-CE1 4.19Å; I1724-F1817 HydrophobicContact CG1-CD1 4.5Å; I1724-F1817 HydrophobicContact CG1-CE1 4.46Å; I1724-F1817 HydrophobicContact CG2-CD1 4.46Å; I1724-F1817 CarbonylContact O-C 3.48Å; I1724-F1817 VanDerWaalsContact O-CA 3.31Å; I1724-F1817 WeakPolarHBondContact O-CA 3.33Å; I1724-E1818 PolarHBondContact O-N 3.37Å; I1724-L1820 HydrophobicContact CG2-CD2 4.13Å
1725	Q	91.7	Very high	83.9	Confident	12.2 Å²	12.2	28.3 Å²	28.3	6%	0.057	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.5	-178.5	65.8	171.4	31.2	0	0	114.5	E1691 P1692 T1693 R1723 V1727 E1818	E1691-Q1725 VanDerWaalsContact CB-OE1 3.31Å; E1691-Q1725 PolarHBondContact O-NE2 3.01Å; E1691-Q1725 PolarHBondContact OE2-NE2 3.19Å; P1692-Q1725 VanDerWaalsContact O-CG 3.29Å; P1692-Q1725 WeakPolarHBondContact O-CG 3.37Å; P1692-Q1725 PolarHBondContact O-NE2 3Å; P1692-Q1725 VanDerWaalsContact O-NE2 3.11Å; T1693-Q1725 WeakPolarHBondContact CG2-O 3.4Å; T1693-Q1725 PolarHBondContact O-N 3.12Å; R1723-Q1725 VanDerWaalsContact NH1-NE2 3.19Å; R1723-Q1725 VanDerWaalsContact NH1-OE1 3.12Å; Q1725-V1727 VanDerWaalsContact C-N 3.34Å; Q1725-V1727 WeakPolarHBondContact O-CG1 3.3Å; Q1725-V1727 VanDerWaalsContact O-CG2 3.27Å; Q1725-V1727 WeakPolarHBondContact O-CG2 3.33Å; Q1725-V1727 PolarHBondContact O-N 3.15Å; Q1725-E1818 VanDerWaalsContact CA-O 3.25Å; Q1725-E1818 WeakPolarHBondContact CA-O 3.36Å; Q1725-E1818 HydrophobicContact CB-CB 4.02Å
1726	D	90.1	Very high	82.8	Confident	18.2 Å²	18.2	29.1 Å²	29.1	10%	0.097	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.6	51.2	176.6	-69	-75.9	0	0	0	113	H1664 L1665 S1666 W1667 E1818 H1819	H1664-D1726 CarbonylContact C-O 3.57Å; H1664-D1726 WeakPolarHBondContact CA-O 3.16Å; H1664-D1726 PolarHBondContact CD2-O 3.16Å; L1665-D1726 CarbonylContact C-O 3.49Å; L1665-D1726 PolarHBondContact N-O 3.17Å; L1665-D1726 CarbonylContact O-C 3.56Å; S1666-D1726 VanDerWaalsContact CA-OD1 3.27Å; S1666-D1726 WeakPolarHBondContact CA-OD1 3.32Å; W1667-D1726 WeakPolarHBondContact CB-OD1 3.45Å; W1667-D1726 PolarHBondContact N-OD1 3.28Å; W1667-D1726 VanDerWaalsContact N-OD1 3.07Å; D1726-E1818 PolarHBondContact N-O 3.03Å; D1726-H1819 HydrophobicContact CB-CB 4.45Å; D1726-H1819 WeakPolarHBondContact OD1-CB 3.19Å; D1726-H1819 IonicContact OD1-CE1 3.16Å; D1726-H1819 IonicContact OD1-CG 3.25Å; D1726-H1819 IonicContact OD1-ND1 3.12Å; D1726-H1819 PolarHBondContact OD1-ND1 3.27Å; D1726-H1819 IonicContact OD2-CE1 3.08Å; D1726-H1819 IonicContact OD2-CG 3.55Å; D1726-H1819 IonicContact OD2-ND1 3.45Å; D1726-H1819 PolarHBondContact OD2-ND1 3.07Å
1727	V	90	Very high	81.1	Confident	1.6 Å²	1.6	30.1 Å²	30.1	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.7	-176.3	-156.8	0	0	0	0	112.9	L1662 I1663 T1693 I1724 Q1725 F1729 H1819 L1820 T1821	L1662-V1727 HydrophobicContact CD1-CB 4.02Å; L1662-V1727 HydrophobicContact CD1-CG1 3.42Å; L1662-V1727 HydrophobicContact CD1-CG2 3.96Å; L1662-V1727 HydrophobicContact CD2-CG1 4.06Å; L1662-V1727 HydrophobicContact CG-CB 4.35Å; L1662-V1727 HydrophobicContact CG-CG1 3.48Å; L1662-V1727 VanDerWaalsContact CG-CG1 3.45Å; I1663-V1727 CarbonylContact O-C 3.59Å; I1663-V1727 WeakPolarHBondContact O-CA 3.04Å; I1663-V1727 WeakPolarHBondContact O-CG1 3.43Å; T1693-V1727 HydrophobicContact CG2-CG1 3.88Å; T1693-V1727 VanDerWaalsContact CG2-CG1 3.42Å; T1693-V1727 HydrophobicContact CG2-CG2 3.58Å; T1693-V1727 VanDerWaalsContact CG2-CG2 3.49Å; I1724-V1727 HydrophobicContact CG2-CB 4.22Å; I1724-V1727 HydrophobicContact CG2-CG1 3.81Å; I1724-V1727 HydrophobicContact CG2-CG2 3.59Å; I1724-V1727 VanDerWaalsContact CG2-CG2 3.5Å; Q1725-V1727 VanDerWaalsContact C-N 3.34Å; Q1725-V1727 WeakPolarHBondContact O-CG1 3.3Å; Q1725-V1727 VanDerWaalsContact O-CG2 3.27Å; Q1725-V1727 WeakPolarHBondContact O-CG2 3.33Å; Q1725-V1727 PolarHBondContact O-N 3.15Å; V1727-F1729 HydrophobicContact CG1-CE2 4.45Å; V1727-H1819 PolarHBondContact N-O 3.26Å; V1727-L1820 HydrophobicContact CB-CD2 4.11Å; V1727-L1820 HydrophobicContact CG2-CD2 4.05Å; V1727-T1821 PolarHBondContact O-N 3.08Å; V1727-T1821 PolarHBondContact O-OG1 3.02Å
1728	C	90.1	Very high	78.9	Confident	0.6 Å²	0.6	31.8 Å²	31.8	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.4	169.1	-168.6	0	0	0	0	111.6	L1662 I1663 L1665 T1821 T1823	L1662-C1728 WeakPolarHBondContact CA-O 3.45Å; I1663-C1728 HydrophobicContact CD1-CB 4.33Å; I1663-C1728 HydrophobicContact CG1-CB 3.78Å; I1663-C1728 PolarHBondContact N-O 3.07Å; I1663-C1728 PolarHBondContact O-N 3.18Å; L1665-C1728 HydrophobicContact CB-CB 3.81Å; L1665-C1728 HydrophobicContact CD1-CB 4.24Å; L1665-C1728 HydrophobicContact CD2-CB 3.71Å; L1665-C1728 HydrophobicContact CG-CB 4.34Å; C1728-T1821 CarbonylContact C-O 3.54Å; C1728-T1821 WeakPolarHBondContact CA-O 3.22Å; C1728-T1821 VanDerWaalsContact CA-OG1 3.28Å; C1728-T1821 WeakPolarHBondContact CA-OG1 3.33Å; C1728-T1821 VanDerWaalsContact CB-OG1 3.29Å; C1728-T1821 WeakPolarHBondContact CB-OG1 3.33Å; C1728-T1821 PolarHBondContact SG-OG1 3.37Å; C1728-T1821 VanDerWaalsContact SG-OG1 3.36Å; C1728-T1823 PolarHBondContact SG-OG1 3Å
1729	F	89.1	Confident	76.6	Confident	77.8 Å²	77.8	34.5 Å²	34.5	34%	0.341	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.4	165.6	-162.4	-104.8	0	0	0	110.3	V1661 L1662 V1727 Y1731 L1820 T1821 A1822 T1823	V1661-F1729 HydrophobicContact CG1-CD2 4.3Å; V1661-F1729 HydrophobicContact CG1-CE2 3.78Å; V1661-F1729 CarbonylContact O-C 3.56Å; V1661-F1729 WeakPolarHBondContact O-CA 3.38Å; V1661-F1729 VanDerWaalsContact O-CD2 3.27Å; V1661-F1729 WeakPolarHBondContact O-CD2 3.38Å; L1662-F1729 HydrophobicContact CD1-CB 4.32Å; L1662-F1729 HydrophobicContact CD1-CD1 3.4Å; L1662-F1729 VanDerWaalsContact CD1-CD1 3.4Å; L1662-F1729 HydrophobicContact CD1-CD2 4.17Å; L1662-F1729 HydrophobicContact CD1-CE1 3.39Å; L1662-F1729 HydrophobicContact CD1-CE2 3.85Å; L1662-F1729 HydrophobicContact CD1-CG 3.65Å; L1662-F1729 HydrophobicContact CD1-CZ 3.62Å; V1727-F1729 HydrophobicContact CG1-CE2 4.45Å; F1729-Y1731 HydrophobicContact CE1-CD2 4.35Å; F1729-L1820 HydrophobicContact CE2-CD1 3.9Å; F1729-L1820 HydrophobicContact CE2-CD2 3.96Å; F1729-T1821 PolarHBondContact N-O 3.02Å; F1729-A1822 HydrophobicContact CB-CB 4.23Å; F1729-A1822 HydrophobicContact CD1-CB 4.45Å; F1729-A1822 CarbonylContact O-C 3.55Å; F1729-A1822 VanDerWaalsContact O-CA 3.25Å; F1729-A1822 WeakPolarHBondContact O-CA 3.45Å; F1729-T1823 PolarHBondContact O-N 3.13Å; F1729-T1823 PolarHBondContact O-OG1 3.22Å
1730	V	85.1	Confident	73.9	Confident	6.6 Å²	6.6	40.3 Å²	40.3	4%	0.04	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	103.4	-179.5	-173.8	0	0	0	0	109.2	P1660 V1661 I1663 W1732 T1823 F1932 L1936	P1660-V1730 WeakPolarHBondContact O-CB 3.36Å; V1661-V1730 PolarHBondContact O-N 3.05Å; I1663-V1730 HydrophobicContact CD1-CG2 4.22Å; I1663-V1730 HydrophobicContact CG1-CG2 4.24Å; V1730-W1732 HydrophobicContact CG1-CD2 4.39Å; V1730-W1732 HydrophobicContact CG1-CZ2 3.74Å; V1730-T1823 HydrophobicContact CB-CG2 4.37Å; V1730-T1823 HydrophobicContact CG1-CG2 4.18Å; V1730-T1823 HydrophobicContact CG2-CG2 4.05Å; V1730-F1932 HydrophobicContact CB-CE1 4.37Å; V1730-F1932 HydrophobicContact CB-CZ 4.3Å; V1730-F1932 HydrophobicContact CG1-CD1 4.43Å; V1730-F1932 HydrophobicContact CG1-CE1 3.71Å; V1730-F1932 VanDerWaalsContact CG1-CE1 3.46Å; V1730-F1932 HydrophobicContact CG1-CE2 4.15Å; V1730-F1932 HydrophobicContact CG1-CZ 3.49Å; V1730-F1932 VanDerWaalsContact CG1-CZ 3.44Å; V1730-F1932 HydrophobicContact CG2-CE1 4.1Å; V1730-F1932 HydrophobicContact CG2-CZ 3.98Å; V1730-L1936 HydrophobicContact CG2-CD1 4.23Å
1731	Y	78.4	Confident	71.1	Confident	67 Å²	67	44.9 Å²	44.9	26%	0.263	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.5	179.1	-180	-110.2	0	0	0	111.6	F1729 P1733 S1736 P1779 T1823 F1824	F1729-Y1731 HydrophobicContact CE1-CD2 4.35Å; Y1731-P1733 HydrophobicContact CD1-CG 4.03Å; Y1731-P1733 HydrophobicContact CE1-CB 4.16Å; Y1731-P1733 HydrophobicContact CE1-CG 3.78Å; Y1731-P1733 WeakPolarHBondContact O-CD 3.36Å; Y1731-S1736 VanDerWaalsContact CE2-OG 3.28Å; Y1731-S1736 WeakPolarHBondContact CE2-OG 3.3Å; Y1731-S1736 WeakPolarHBondContact OH-CB 3.29Å; Y1731-S1736 PolarHBondContact OH-OG 3.06Å; Y1731-P1779 HydrophobicContact CD2-CG 4.19Å; Y1731-P1779 HydrophobicContact CE2-CB 4.12Å; Y1731-P1779 HydrophobicContact CE2-CG 3.94Å; Y1731-T1823 CarbonylContact C-O 3.43Å; Y1731-T1823 WeakPolarHBondContact CA-O 3.21Å; Y1731-T1823 WeakPolarHBondContact CB-O 3.16Å; Y1731-T1823 PolarHBondContact N-O 2.97Å; Y1731-F1824 HydrophobicContact CD1-CB 4.1Å; Y1731-F1824 VanDerWaalsContact O-CA 3.25Å; Y1731-F1824 WeakPolarHBondContact O-CA 3.38Å; Y1731-F1824 VanDerWaalsContact O-CB 3.24Å; Y1731-F1824 WeakPolarHBondContact O-CB 3.4Å
1732	W	71.3	Confident	68.3	Low	30 Å²	30	49.4 Å²	49.4	11%	0.114	23%	0.234	C	C	.	.			trans	-105.3	102.8	176.1	-77.5	98.9	0	0	0	110.8	W1659 P1660 V1730 L1734 F1735 S1825 V1848 H1850 F1932	W1659-W1732 AromaticContact CE3-CD2 3.89Å; W1659-W1732 HydrophobicContact CE3-CD2 3.89Å; W1659-W1732 AromaticContact CE3-CE2 3.9Å; W1659-W1732 AromaticContact CE3-CE3 3.82Å; W1659-W1732 HydrophobicContact CE3-CE3 3.87Å; W1659-W1732 AromaticContact CE3-CH2 3.86Å; W1659-W1732 HydrophobicContact CE3-CH2 3.99Å; W1659-W1732 AromaticContact CE3-CZ2 3.96Å; W1659-W1732 HydrophobicContact CE3-CZ2 4Å; W1659-W1732 AromaticContact CE3-CZ3 3.75Å; W1659-W1732 HydrophobicContact CE3-CZ3 3.92Å; W1659-W1732 HydrophobicContact CZ3-CD2 4.33Å; W1659-W1732 AromaticContact CZ3-CE3 3.83Å; W1659-W1732 HydrophobicContact CZ3-CE3 3.83Å; W1659-W1732 AromaticContact CZ3-CH2 4Å; W1659-W1732 HydrophobicContact CZ3-CH2 4.08Å; W1659-W1732 HydrophobicContact CZ3-CZ2 4.46Å; W1659-W1732 AromaticContact CZ3-CZ3 3.69Å; W1659-W1732 HydrophobicContact CZ3-CZ3 3.69Å; W1659-W1732 VanDerWaalsContact CZ3-CZ3 3.46Å; P1660-W1732 HydrophobicContact CG-CZ2 4.35Å; P1660-W1732 PolarHBondContact O-NE1 3.1Å; V1730-W1732 HydrophobicContact CG1-CD2 4.39Å; V1730-W1732 HydrophobicContact CG1-CZ2 3.74Å; W1732-L1734 PolarHBondContact O-N 3.33Å; W1732-L1734 VanDerWaalsContact O-N 3.1Å; W1732-F1735 HydrophobicContact CB-CD2 3.71Å; W1732-F1735 HydrophobicContact CB-CE2 3.79Å; W1732-F1735 VanDerWaalsContact CB-CE2 3.47Å; W1732-F1735 HydrophobicContact CB-CG 4.37Å; W1732-F1735 HydrophobicContact CB-CZ 4.45Å; W1732-F1735 AromaticContact CD1-CE2 3.97Å; W1732-F1735 HydrophobicContact CD2-CE2 4.39Å; W1732-F1735 HydrophobicContact CG-CD2 4.14Å; W1732-F1735 AromaticContact CG-CE2 3.83Å; W1732-F1735 HydrophobicContact CG-CE2 3.88Å; W1732-F1735 WeakPolarHBondContact O-CD2 3.41Å; W1732-F1735 PolarHBondContact O-N 2.96Å; W1732-F1735 VanDerWaalsContact O-N 3.09Å; W1732-S1825 VanDerWaalsContact CH2-CB 3.44Å; W1732-S1825 VanDerWaalsContact CZ3-CB 3.47Å; W1732-S1825 WeakPolarHBondContact CZ3-OG 3.25Å; W1732-V1848 HydrophobicContact CH2-CG1 4.31Å; W1732-H1850 AromaticContact CH2-CE1 3.76Å; W1732-H1850 AromaticContact CH2-NE2 3.63Å; W1732-H1850 AromaticContact CZ3-CE1 3.51Å; W1732-H1850 AromaticContact CZ3-NE2 3.86Å; W1732-F1932 HydrophobicContact CH2-CB 3.95Å; W1732-F1932 AromaticContact CH2-CD1 3.77Å; W1732-F1932 HydrophobicContact CH2-CD1 3.77Å; W1732-F1932 HydrophobicContact CH2-CD2 4.09Å; W1732-F1932 HydrophobicContact CH2-CE1 4.28Å; W1732-F1932 AromaticContact CH2-CG 3.65Å; W1732-F1932 HydrophobicContact CH2-CG 3.65Å; W1732-F1932 AromaticContact CZ2-CD1 3.72Å; W1732-F1932 HydrophobicContact CZ2-CD1 3.72Å; W1732-F1932 HydrophobicContact CZ2-CD2 4.49Å; W1732-F1932 AromaticContact CZ2-CE1 3.82Å; W1732-F1932 HydrophobicContact CZ2-CE1 3.89Å; W1732-F1932 HydrophobicContact CZ2-CG 4.1Å; W1732-F1932 HydrophobicContact CZ2-CZ 4.39Å
1733	P	62.3	Low	65.5	Low	15.2 Å²	15.2	53.4 Å²	53.4	10%	0.099	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-62.1	-14.6	-177.4	-13.1	19.2	0	0	0	114.2	Y1731 F1735 S1736 L1737 S1825 P1827	Y1731-P1733 HydrophobicContact CD1-CG 4.03Å; Y1731-P1733 HydrophobicContact CE1-CB 4.16Å; Y1731-P1733 HydrophobicContact CE1-CG 3.78Å; Y1731-P1733 WeakPolarHBondContact O-CD 3.36Å; P1733-F1735 VanDerWaalsContact C-N 3.32Å; P1733-F1735 PolarHBondContact O-N 3.41Å; P1733-S1736 WeakPolarHBondContact O-CB 3.47Å; P1733-S1736 PolarHBondContact O-N 3.28Å; P1733-S1736 VanDerWaalsContact O-N 3.11Å; P1733-S1736 PolarHBondContact O-OG 3.19Å; P1733-L1737 WeakPolarHBondContact O-CD1 3.29Å; P1733-L1737 WeakPolarHBondContact O-CG 3.4Å; P1733-L1737 PolarHBondContact O-N 2.92Å; P1733-S1825 WeakPolarHBondContact CD-O 3.4Å; P1733-S1825 VanDerWaalsContact CG-O 3.3Å; P1733-S1825 WeakPolarHBondContact CG-O 3.32Å; P1733-P1827 HydrophobicContact CB-CB 4.06Å; P1733-P1827 HydrophobicContact CB-CG 4.32Å; P1733-P1827 HydrophobicContact CG-CB 4.43Å; P1733-P1827 HydrophobicContact CG-CG 4.36Å
1734	L	58.7	Low	62.6	Low	55.2 Å²	55.2	58.8 Å²	58.8	29%	0.289	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-67	-31.8	177.2	-70.2	155.7	0	0	0	112.8	W1732 S1736 L1737 W1741 P1827 L1928	W1732-L1734 PolarHBondContact O-N 3.33Å; W1732-L1734 VanDerWaalsContact O-N 3.1Å; L1734-S1736 VanDerWaalsContact C-N 3.33Å; L1734-S1736 PolarHBondContact O-N 3.24Å; L1734-L1737 PolarHBondContact O-N 3.29Å; L1734-W1741 HydrophobicContact CD2-CZ2 4.32Å; L1734-P1827 HydrophobicContact CD1-CB 3.86Å; L1734-L1928 HydrophobicContact CD1-CD1 3.87Å
1735	F	58.9	Low	59.9	Low	35 Å²	35	60.9 Å²	60.9	15%	0.154	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-80.2	-6.9	-179.5	-56.3	-49.9	0	0	0	114.1	Y1630 W1659 W1732 P1733 L1737	Y1630-F1735 HydrophobicContact CD1-CD1 4.28Å; Y1630-F1735 AromaticContact CD1-CD2 3.86Å; Y1630-F1735 HydrophobicContact CD1-CD2 3.91Å; Y1630-F1735 AromaticContact CD1-CE1 3.9Å; Y1630-F1735 HydrophobicContact CD1-CE1 4.12Å; Y1630-F1735 AromaticContact CD1-CE2 3.67Å; Y1630-F1735 HydrophobicContact CD1-CE2 3.77Å; Y1630-F1735 HydrophobicContact CD1-CG 4.22Å; Y1630-F1735 AromaticContact CD1-CZ 3.83Å; Y1630-F1735 HydrophobicContact CD1-CZ 4Å; Y1630-F1735 AromaticContact CE1-CD1 3.78Å; Y1630-F1735 HydrophobicContact CE1-CD1 3.83Å; Y1630-F1735 AromaticContact CE1-CD2 3.92Å; Y1630-F1735 HydrophobicContact CE1-CD2 4Å; Y1630-F1735 AromaticContact CE1-CE1 3.8Å; Y1630-F1735 HydrophobicContact CE1-CE1 3.92Å; Y1630-F1735 HydrophobicContact CE1-CE2 4.07Å; Y1630-F1735 AromaticContact CE1-CG 3.9Å; Y1630-F1735 HydrophobicContact CE1-CG 3.9Å; Y1630-F1735 AromaticContact CE1-CZ 3.88Å; Y1630-F1735 HydrophobicContact CE1-CZ 4.02Å; Y1630-F1735 HydrophobicContact CG-CE2 4.38Å; W1659-F1735 HydrophobicContact CB-CE2 4.07Å; W1659-F1735 HydrophobicContact CB-CZ 4.16Å; W1659-F1735 AromaticContact CD1-CZ 3.88Å; W1659-F1735 AromaticContact CD2-CE2 3.81Å; W1659-F1735 HydrophobicContact CD2-CE2 4.06Å; W1659-F1735 AromaticContact CD2-CZ 3.62Å; W1659-F1735 HydrophobicContact CD2-CZ 3.75Å; W1659-F1735 AromaticContact CE2-CZ 3.76Å; W1659-F1735 HydrophobicContact CE3-CE2 4.2Å; W1659-F1735 HydrophobicContact CE3-CZ 4.08Å; W1659-F1735 HydrophobicContact CG-CE1 4.33Å; W1659-F1735 AromaticContact CG-CE2 3.92Å; W1659-F1735 HydrophobicContact CG-CE2 3.96Å; W1659-F1735 AromaticContact CG-CZ 3.74Å; W1659-F1735 HydrophobicContact CG-CZ 3.74Å; W1659-F1735 HydrophobicContact CH2-CZ 4.37Å; W1659-F1735 HydrophobicContact CZ2-CZ 4.31Å; W1659-F1735 HydrophobicContact CZ3-CZ 4.37Å; W1659-F1735 AromaticContact NE1-CZ 3.91Å; W1732-F1735 HydrophobicContact CB-CD2 3.71Å; W1732-F1735 HydrophobicContact CB-CE2 3.79Å; W1732-F1735 VanDerWaalsContact CB-CE2 3.47Å; W1732-F1735 HydrophobicContact CB-CG 4.37Å; W1732-F1735 HydrophobicContact CB-CZ 4.45Å; W1732-F1735 AromaticContact CD1-CE2 3.97Å; W1732-F1735 HydrophobicContact CD2-CE2 4.39Å; W1732-F1735 HydrophobicContact CG-CD2 4.14Å; W1732-F1735 AromaticContact CG-CE2 3.83Å; W1732-F1735 HydrophobicContact CG-CE2 3.88Å; W1732-F1735 WeakPolarHBondContact O-CD2 3.41Å; W1732-F1735 PolarHBondContact O-N 2.96Å; W1732-F1735 VanDerWaalsContact O-N 3.09Å; P1733-F1735 VanDerWaalsContact C-N 3.32Å; P1733-F1735 PolarHBondContact O-N 3.41Å; F1735-L1737 VanDerWaalsContact C-N 3.26Å
1736	S	51.4	Low	57.2	Low	40.4 Å²	40.4	67 Å²	67	28%	0.283	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-94.1	-12.3	174.5	-16.8	0	0	0	0	113.5	Y1731 P1733 L1734 N1738	Y1731-S1736 VanDerWaalsContact CE2-OG 3.28Å; Y1731-S1736 WeakPolarHBondContact CE2-OG 3.3Å; Y1731-S1736 WeakPolarHBondContact OH-CB 3.29Å; Y1731-S1736 PolarHBondContact OH-OG 3.06Å; P1733-S1736 WeakPolarHBondContact O-CB 3.47Å; P1733-S1736 PolarHBondContact O-N 3.28Å; P1733-S1736 VanDerWaalsContact O-N 3.11Å; P1733-S1736 PolarHBondContact O-OG 3.19Å; L1734-S1736 VanDerWaalsContact C-N 3.33Å; L1734-S1736 PolarHBondContact O-N 3.24Å; S1736-N1738 PolarHBondContact O-N 2.92Å
1737	L	47.1	Very low	54.6	Low	42.2 Å²	42.2	72.2 Å²	72.2	22%	0.221	36%	0.355	C	S	.	.			trans	-96.4	-0	-171.5	-76.9	163.8	0	0	0	115.1	P1733 L1734 F1735 N1739 R1740 Y1828 Y2035	P1733-L1737 WeakPolarHBondContact O-CD1 3.29Å; P1733-L1737 WeakPolarHBondContact O-CG 3.4Å; P1733-L1737 PolarHBondContact O-N 2.92Å; L1734-L1737 PolarHBondContact O-N 3.29Å; F1735-L1737 VanDerWaalsContact C-N 3.26Å; L1737-N1739 PolarHBondContact O-N 3.13Å; L1737-R1740 PolarHBondContact O-N 3.31Å; L1737-R1740 VanDerWaalsContact O-N 3.13Å; L1737-Y1828 HydrophobicContact CD1-CE2 4.17Å; L1737-Y1828 WeakPolarHBondContact CD1-OH 3.24Å; L1737-Y2035 HydrophobicContact CD2-CE1 4.15Å
1738	N	42.2	Very low	52	Low	74.6 Å²	74.6	75.6 Å²	75.6	40%	0.399	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	3	-173.6	-86.9	2.7	0	0	0	115.3	E1593 S1736 R1740 L1919	E1593-N1738 PolarHBondContact OE1-ND2 3.3Å; S1736-N1738 PolarHBondContact O-N 2.92Å; N1738-R1740 VanDerWaalsContact C-N 3.25Å; N1738-R1740 PolarHBondContact O-N 3.27Å; N1738-L1919 WeakPolarHBondContact ND2-CD2 3.47Å; N1738-L1919 WeakPolarHBondContact OD1-CD1 3.34Å
1739	N	39.9	Very low	49.3	Very low	108.8 Å²	108.8	80.6 Å²	80.6	58%	0.582	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	6.4	169.9	-75.4	-4.8	0	0	0	114.8	S1583 L1737 N1780	S1583-N1739 PolarHBondContact OG-ND2 2.84Å; S1583-N1739 PolarHBondContact OG-OD1 3.02Å; L1737-N1739 PolarHBondContact O-N 3.13Å; N1739-N1780 PolarHBondContact ND2-ND2 2.99Å
1740	R	36.3	Very low	46.8	Very low	138.6 Å²	138.6	82.3 Å²	82.3	52%	0.523	44%	0.436	S	S	.	.	S	Bend	trans	-119.5	-7.6	-174.4	-92.2	-170.1	179.8	-176.8	2.9	117.8	L1737 N1738 D1742 I1743 N2038 N2039	L1737-R1740 PolarHBondContact O-N 3.31Å; L1737-R1740 VanDerWaalsContact O-N 3.13Å; N1738-R1740 VanDerWaalsContact C-N 3.25Å; N1738-R1740 PolarHBondContact O-N 3.27Å; R1740-D1742 VanDerWaalsContact C-N 3.3Å; R1740-D1742 PolarHBondContact O-N 3.06Å; R1740-I1743 PolarHBondContact O-N 3.18Å; R1740-N2038 PolarHBondContact NH2-O 2.87Å; R1740-N2039 PolarHBondContact NH2-OD1 3.12Å
1741	W	35.7	Very low	44.4	Very low	122.6 Å²	122.6	88.4 Å²	88.4	46%	0.464	47%	0.468	S	S	.	.	H	α-helix	trans	-74.2	-24	-173.5	-72.4	103.3	0	0	0	114.9	L1734 I1743 F1744 S1745 Y1828 P1917 L1919	L1734-W1741 HydrophobicContact CD2-CZ2 4.32Å; W1741-I1743 VanDerWaalsContact C-N 3.27Å; W1741-I1743 PolarHBondContact O-N 3.08Å; W1741-I1743 VanDerWaalsContact O-N 3.16Å; W1741-F1744 PolarHBondContact O-N 2.97Å; W1741-F1744 VanDerWaalsContact O-N 3.12Å; W1741-S1745 WeakPolarHBondContact O-CB 3.26Å; W1741-S1745 PolarHBondContact O-N 3.04Å; W1741-S1745 PolarHBondContact O-OG 3.18Å; W1741-Y1828 HydrophobicContact CZ2-CE1 4.45Å; W1741-P1917 WeakPolarHBondContact CH2-O 3.26Å; W1741-P1917 WeakPolarHBondContact CZ3-O 3.3Å; W1741-L1919 HydrophobicContact CH2-CD1 4.28Å; W1741-L1919 HydrophobicContact CZ2-CD1 3.52Å; W1741-L1919 HydrophobicContact CZ2-CG 4.26Å
1742	D	34.3	Very low	42.3	Very low	107.6 Å²	107.6	92 Å²	92	58%	0.575	49%	0.491	S	S	*	.	H	α-helix	trans	-73.4	-11.7	-178.8	-68.7	-43	0	0	0	114.9	R1740 F1744 S1745 N1746 R1918	R1740-D1742 VanDerWaalsContact C-N 3.3Å; R1740-D1742 PolarHBondContact O-N 3.06Å; D1742-F1744 VanDerWaalsContact C-N 3.26Å; D1742-F1744 PolarHBondContact O-N 2.86Å; D1742-S1745 WeakPolarHBondContact CA-OG 3.49Å; D1742-S1745 PolarHBondContact O-OG 3.11Å; D1742-S1745 VanDerWaalsContact O-OG 3.11Å; D1742-S1745 PolarHBondContact OD1-OG 2.98Å; D1742-N1746 PolarHBondContact O-ND2 3.01Å; D1742-R1918 IonicContact OD1-CZ 3.67Å; D1742-R1918 IonicContact OD1-NH1 3.98Å; D1742-R1918 IonicContact OD1-NH2 2.68Å; D1742-R1918 PolarHBondContact OD1-NH2 2.96Å
1743	I	36	Very low	40.4	Very low	112 Å²	112	96.8 Å²	96.8	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-77.7	-30.1	175.8	-62.3	177.5	0	0	0	111	R1740 W1741 I1747	R1740-I1743 PolarHBondContact O-N 3.18Å; W1741-I1743 VanDerWaalsContact C-N 3.27Å; W1741-I1743 PolarHBondContact O-N 3.08Å; W1741-I1743 VanDerWaalsContact O-N 3.16Å; I1743-I1747 WeakPolarHBondContact O-CD1 3.24Å; I1743-I1747 WeakPolarHBondContact O-CG1 3.37Å
1744	F	33.3	Very low	39	Very low	142.6 Å²	142.6	101.4 Å²	101.4	63%	0.625	55%	0.552	S	S	*	*	H	α-helix	trans	-94.8	-15.3	-177.4	-71	-79	0	0	0	114.1	W1741 D1742 N1746 I1747	W1741-F1744 PolarHBondContact O-N 2.97Å; W1741-F1744 VanDerWaalsContact O-N 3.12Å; D1742-F1744 VanDerWaalsContact C-N 3.26Å; D1742-F1744 PolarHBondContact O-N 2.86Å; F1744-N1746 VanDerWaalsContact C-N 3.32Å; F1744-N1746 PolarHBondContact O-N 2.89Å; F1744-I1747 HydrophobicContact CD1-CD1 4.05Å; F1744-I1747 HydrophobicContact CE1-CD1 4.44Å; F1744-I1747 PolarHBondContact O-N 3.25Å
1745	S	37	Very low	37.7	Very low	70 Å²	70	104.4 Å²	104.4	49%	0.49	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	-24.4	175.3	55.3	0	0	0	0	113.5	W1741 D1742 I1747 G1748	W1741-S1745 WeakPolarHBondContact O-CB 3.26Å; W1741-S1745 PolarHBondContact O-N 3.04Å; W1741-S1745 PolarHBondContact O-OG 3.18Å; D1742-S1745 WeakPolarHBondContact CA-OG 3.49Å; D1742-S1745 PolarHBondContact O-OG 3.11Å; D1742-S1745 VanDerWaalsContact O-OG 3.11Å; D1742-S1745 PolarHBondContact OD1-OG 2.98Å; S1745-I1747 VanDerWaalsContact C-N 3.29Å; S1745-I1747 PolarHBondContact O-N 3.45Å; S1745-G1748 PolarHBondContact O-N 3.48Å
1746	N	33	Very low	36.5	Very low	139.6 Å²	139.6	108.8 Å²	108.8	75%	0.747	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-2.8	-176	-96	-33.2	0	0	0	116	D1742 F1744 G1748	D1742-N1746 PolarHBondContact O-ND2 3.01Å; F1744-N1746 VanDerWaalsContact C-N 3.32Å; F1744-N1746 PolarHBondContact O-N 2.89Å; N1746-G1748 VanDerWaalsContact C-N 3.29Å; N1746-G1748 PolarHBondContact O-N 2.81Å
1747	I	36.7	Very low	35.5	Very low	129 Å²	129	114.3 Å²	114.3	66%	0.662	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-86.8	2	178.1	-60.5	176.5	0	0	0	111.7	I1743 F1744 S1745 N1749	I1743-I1747 WeakPolarHBondContact O-CD1 3.24Å; I1743-I1747 WeakPolarHBondContact O-CG1 3.37Å; F1744-I1747 HydrophobicContact CD1-CD1 4.05Å; F1744-I1747 HydrophobicContact CE1-CD1 4.44Å; F1744-I1747 PolarHBondContact O-N 3.25Å; S1745-I1747 VanDerWaalsContact C-N 3.29Å; S1745-I1747 PolarHBondContact O-N 3.45Å; I1747-N1749 PolarHBondContact O-N 2.79Å
1748	G	34.3	Very low	34.8	Very low	71.6 Å²	71.6	117.6 Å²	117.6	74%	0.738	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-87.4	1.9	-177.5	0	0	0	0	0	117.1	S1745 N1746	S1745-G1748 PolarHBondContact O-N 3.48Å; N1746-G1748 VanDerWaalsContact C-N 3.29Å; N1746-G1748 PolarHBondContact O-N 2.81Å
1749	N	34	Very low	34.2	Very low	105.2 Å²	105.2	118.8 Å²	118.8	56%	0.563	67%	0.671	S	S	*	*			trans	-148.4	93.3	-176	-164.1	-0.7	0	0	0	113.8	I1747 N1751	I1747-N1749 PolarHBondContact O-N 2.79Å; N1749-N1751 VanDerWaalsContact C-N 3.31Å; N1749-N1751 PolarHBondContact O-N 3.12Å; N1749-N1751 VanDerWaalsContact O-N 3.09Å; N1749-N1751 PolarHBondContact OD1-N 3.03Å
1750	P	37	Very low	33.8	Very low	115.2 Å²	115.2	122.1 Å²	122.1	75%	0.748	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	15.8	-177.3	31.6	-35.4	0	0	0	114.6
1751	N	35.2	Very low	33.4	Very low	133.6 Å²	133.6	120.6 Å²	120.6	71%	0.714	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	22.9	-167.7	-80.5	-18.9	0	0	0	115.7	N1749	N1749-N1751 VanDerWaalsContact C-N 3.31Å; N1749-N1751 PolarHBondContact O-N 3.12Å; N1749-N1751 VanDerWaalsContact O-N 3.09Å; N1749-N1751 PolarHBondContact OD1-N 3.03Å
1752	L	33.1	Very low	33.1	Very low	143.2 Å²	143.2	121.1 Å²	121.1	75%	0.75	71%	0.711	S	S	*	*			trans	-121.7	92.5	167.2	-109.5	81.1	0	0	0	111.9	T1754	L1752-T1754 PolarHBondContact O-N 2.95Å
1753	T	31.6	Very low	32.8	Very low	131.4 Å²	131.4	121.5 Å²	121.5	81%	0.806	72%	0.717	S	S	*	*			trans	-100.4	89.6	171.9	48.8	0	0	0	0	111.1	P1755	T1753-P1755 VanDerWaalsContact O-CD 3.22Å; T1753-P1755 WeakPolarHBondContact O-CD 3.33Å
1754	T	33.9	Very low	32.3	Very low	110.8 Å²	110.8	122.7 Å²	122.7	68%	0.68	73%	0.729	S	S	*	*			trans	-131.3	102.9	165.8	46.3	0	0	0	0	110.3	L1752 V1756	L1752-T1754 PolarHBondContact O-N 2.95Å; T1754-V1756 PolarHBondContact O-N 3.14Å; T1754-V1756 VanDerWaalsContact O-N 3.15Å
1755	P	31.3	Very low	32.1	Very low	118 Å²	118	121.5 Å²	121.5	77%	0.766	73%	0.734	S	S	*	*			trans	-77	113.4	174.7	30.8	-31.3	0	0	0	109.7	T1753 N1757	T1753-P1755 VanDerWaalsContact O-CD 3.22Å; T1753-P1755 WeakPolarHBondContact O-CD 3.33Å; P1755-N1757 VanDerWaalsContact C-N 3.33Å; P1755-N1757 PolarHBondContact O-N 3.14Å
1756	V	33.9	Very low	31.6	Very low	127.4 Å²	127.4	124.1 Å²	124.1	77%	0.772	75%	0.747	S	S	*	*			trans	-91	109.8	170.5	179.6	0	0	0	0	108.5	T1754 S1758	T1754-V1756 PolarHBondContact O-N 3.14Å; T1754-V1756 VanDerWaalsContact O-N 3.15Å; V1756-S1758 PolarHBondContact O-N 2.95Å; V1756-S1758 VanDerWaalsContact O-N 3.13Å
1757	N	29.3	Very low	31.5	Very low	156 Å²	156	123.8 Å²	123.8	83%	0.834	75%	0.745	S	S	*	*			trans	-71.6	111.5	170.5	-69.4	-30.9	0	0	0	110.2	P1755	P1755-N1757 VanDerWaalsContact C-N 3.33Å; P1755-N1757 PolarHBondContact O-N 3.14Å
1758	S	33.7	Very low	31.2	Very low	111 Å²	111	123.1 Å²	123.1	78%	0.776	75%	0.747	S	S	*	*			trans	-125	108	156.6	57.6	0	0	0	0	109.9	V1756	V1756-S1758 PolarHBondContact O-N 2.95Å; V1756-S1758 VanDerWaalsContact O-N 3.13Å
1759	S	29.7	Very low	31.2	Very low	101.2 Å²	101.2	125.2 Å²	125.2	71%	0.708	74%	0.742	S	S	*	*			trans	-79	156.7	176.3	48.4	0	0	0	0	113.1	S1761	S1759-S1761 PolarHBondContact O-N 3.18Å
1760	H	29.7	Very low	31.2	Very low	177.8 Å²	177.8	125.4 Å²	125.4	82%	0.823	74%	0.743	S	S	*	*			trans	44.5	108.9	170.9	-54.6	-50.9	0	0	0	117.1
1761	S	29.6	Very low	31.3	Very low	107.8 Å²	107.8	125.5 Å²	125.5	75%	0.754	74%	0.737	S	S	*	*			trans	-143.8	89.4	134.5	55.9	0	0	0	0	109.9	S1759 T1763	S1759-S1761 PolarHBondContact O-N 3.18Å; S1761-T1763 VanDerWaalsContact C-N 3.29Å; S1761-T1763 PolarHBondContact O-N 2.96Å
1762	T	27.7	Very low	31.4	Very low	133 Å²	133	122.6 Å²	122.6	82%	0.816	72%	0.718	S	S	*	*			trans	-76.1	92.4	169.5	39.1	0	0	0	0	110.1	T1764	T1762-T1764 PolarHBondContact O-N 3.36Å
1763	T	28.3	Very low	31.6	Very low	115.6 Å²	115.6	121.5 Å²	121.5	71%	0.709	71%	0.713	S	S	*	*			trans	-103.3	104.4	162.2	42.3	0	0	0	0	108.8	S1761 T1765	S1761-T1763 VanDerWaalsContact C-N 3.29Å; S1761-T1763 PolarHBondContact O-N 2.96Å; T1763-T1765 VanDerWaalsContact C-N 3.33Å; T1763-T1765 PolarHBondContact O-N 3.03Å
1764	T	26.6	Very low	32	Very low	136 Å²	136	124.5 Å²	124.5	83%	0.834	71%	0.711	S	S	*	*			trans	-69.6	91.7	173.4	45.6	0	0	0	0	110.2	T1762 T1766	T1762-T1764 PolarHBondContact O-N 3.36Å; T1764-T1766 PolarHBondContact O-N 3.25Å; T1764-T1766 VanDerWaalsContact O-N 3.09Å
1765	T	27.7	Very low	32.3	Very low	118.8 Å²	118.8	123.2 Å²	123.2	73%	0.729	70%	0.699	S	S	*	*			trans	-89.3	108.1	162.9	43.8	0	0	0	0	108.3	T1763 N1767	T1763-T1765 VanDerWaalsContact C-N 3.33Å; T1763-T1765 PolarHBondContact O-N 3.03Å; T1765-N1767 VanDerWaalsContact C-N 3.34Å; T1765-N1767 PolarHBondContact O-N 2.93Å
1766	T	28.2	Very low	33.1	Very low	123.4 Å²	123.4	122.5 Å²	122.5	76%	0.757	69%	0.693	S	S	*	*			trans	-67.1	96.4	174.4	44.4	0	0	0	0	109.5	T1764 T1768	T1764-T1766 PolarHBondContact O-N 3.25Å; T1764-T1766 VanDerWaalsContact O-N 3.09Å; T1766-T1768 VanDerWaalsContact C-N 3.33Å; T1766-T1768 PolarHBondContact O-N 3.11Å
1767	N	30.1	Very low	34	Very low	133.8 Å²	133.8	119.3 Å²	119.3	72%	0.716	69%	0.686	S	S	*	*			trans	-85.5	79.2	178.8	-127.8	-7.9	0	0	0	110.1	T1765 N1769	T1765-N1767 VanDerWaalsContact C-N 3.34Å; T1765-N1767 PolarHBondContact O-N 2.93Å; N1767-N1769 VanDerWaalsContact C-N 3.3Å; N1767-N1769 PolarHBondContact O-N 3.12Å
1768	T	30.5	Very low	35.7	Very low	114.4 Å²	114.4	115.5 Å²	115.5	70%	0.702	67%	0.665	S	S	*	*			trans	-76.1	74.1	175	48.7	0	0	0	0	110.9	T1766 N1770	T1766-T1768 VanDerWaalsContact C-N 3.33Å; T1766-T1768 PolarHBondContact O-N 3.11Å; T1768-N1770 VanDerWaalsContact C-N 3.32Å; T1768-N1770 PolarHBondContact O-N 3Å
1769	N	34.1	Very low	37.3	Very low	115.6 Å²	115.6	110.7 Å²	110.7	62%	0.618	63%	0.631	S	S	*	*			trans	-119.9	31.3	180	-87.5	-33.4	0	0	0	114.7	N1767 N1771	N1767-N1769 VanDerWaalsContact C-N 3.3Å; N1767-N1769 PolarHBondContact O-N 3.12Å; N1769-N1771 PolarHBondContact O-N 2.8Å
1770	N	34.6	Very low	39.3	Very low	108.6 Å²	108.6	108.4 Å²	108.4	58%	0.581	61%	0.611	S	S	*	*			trans	-91.9	36.2	-177.3	-75.1	-15.5	0	0	0	114.3	T1768 F1772 N1773	T1768-N1770 VanDerWaalsContact C-N 3.32Å; T1768-N1770 PolarHBondContact O-N 3Å; N1770-F1772 VanDerWaalsContact C-N 3.28Å; N1770-F1772 PolarHBondContact O-N 2.97Å; N1770-F1772 VanDerWaalsContact O-N 3.11Å; N1770-N1773 WeakPolarHBondContact O-CB 3.29Å; N1770-N1773 PolarHBondContact O-N 3.09Å; N1770-N1773 VanDerWaalsContact O-N 3.16Å; N1770-N1773 PolarHBondContact O-ND2 3.17Å; N1770-N1773 PolarHBondContact OD1-ND2 3.28Å; N1770-N1773 VanDerWaalsContact OD1-ND2 3.11Å
1771	N	38.5	Very low	41.6	Very low	118.6 Å²	118.6	100.6 Å²	100.6	63%	0.634	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-69.7	-7.2	178.8	-76.4	-8.4	0	0	0	114.1	N1769 N1773	N1769-N1771 PolarHBondContact O-N 2.8Å; N1771-N1773 VanDerWaalsContact C-N 3.33Å
1772	F	38	Very low	44	Very low	72 Å²	72	98.4 Å²	98.4	32%	0.316	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-84.1	-5.4	177.6	-89.7	-89.9	0	0	0	115.3	N1770 Y1774 L1775 I1783 C1786 Q1790	N1770-F1772 VanDerWaalsContact C-N 3.28Å; N1770-F1772 PolarHBondContact O-N 2.97Å; N1770-F1772 VanDerWaalsContact O-N 3.11Å; F1772-Y1774 PolarHBondContact O-N 2.89Å; F1772-Y1774 VanDerWaalsContact O-N 3.08Å; F1772-L1775 HydrophobicContact CD1-CD1 3.58Å; F1772-L1775 HydrophobicContact CD1-CG 4.24Å; F1772-L1775 HydrophobicContact CE1-CD1 3.66Å; F1772-L1775 HydrophobicContact CG-CD1 4.3Å; F1772-L1775 PolarHBondContact O-N 3.03Å; F1772-L1775 VanDerWaalsContact O-N 3.08Å; F1772-I1783 HydrophobicContact CB-CG2 4.08Å; F1772-I1783 HydrophobicContact CD1-CG2 4.08Å; F1772-I1783 HydrophobicContact CE1-CG2 4.28Å; F1772-I1783 HydrophobicContact CG-CG2 4.11Å; F1772-C1786 HydrophobicContact CE1-CB 4.29Å; F1772-C1786 HydrophobicContact CZ-CB 4.4Å; F1772-Q1790 VanDerWaalsContact CE2-OE1 3.29Å
1773	N	37	Very low	46.3	Very low	121.2 Å²	121.2	93.8 Å²	93.8	65%	0.648	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-65.8	-4.1	-179	-75.6	-14.2	0	0	0	114.6	N1770 N1771	N1770-N1773 WeakPolarHBondContact O-CB 3.29Å; N1770-N1773 PolarHBondContact O-N 3.09Å; N1770-N1773 VanDerWaalsContact O-N 3.16Å; N1770-N1773 PolarHBondContact O-ND2 3.17Å; N1770-N1773 PolarHBondContact OD1-ND2 3.28Å; N1770-N1773 VanDerWaalsContact OD1-ND2 3.11Å; N1771-N1773 VanDerWaalsContact C-N 3.33Å
1774	Y	39.6	Very low	48.8	Very low	193 Å²	193	89.5 Å²	89.5	76%	0.757	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-101.7	0.2	-179.4	-61	-72.7	0	0	0	114.7	F1772 T1776	F1772-Y1774 PolarHBondContact O-N 2.89Å; F1772-Y1774 VanDerWaalsContact O-N 3.08Å; Y1774-T1776 VanDerWaalsContact C-N 3.33Å; Y1774-T1776 PolarHBondContact O-N 3.11Å; Y1774-T1776 VanDerWaalsContact O-N 3.1Å
1775	L	40.3	Very low	51.6	Low	83.4 Å²	83.4	84.5 Å²	84.5	44%	0.437	46%	0.459	S	S	.	.			trans	-85.1	63.2	173	-79.4	165.4	0	0	0	111.4	F1772 G1777 L1778 I1783	F1772-L1775 HydrophobicContact CD1-CD1 3.58Å; F1772-L1775 HydrophobicContact CD1-CG 4.24Å; F1772-L1775 HydrophobicContact CE1-CD1 3.66Å; F1772-L1775 HydrophobicContact CG-CD1 4.3Å; F1772-L1775 PolarHBondContact O-N 3.03Å; F1772-L1775 VanDerWaalsContact O-N 3.08Å; L1775-G1777 VanDerWaalsContact C-N 3.31Å; L1775-G1777 PolarHBondContact O-N 3.19Å; L1775-L1778 HydrophobicContact CB-CD1 4.32Å; L1775-L1778 HydrophobicContact CD1-CD1 3.75Å; L1775-L1778 HydrophobicContact CD2-CD1 4.24Å; L1775-L1778 HydrophobicContact CG-CD1 4.47Å; L1775-L1778 PolarHBondContact O-N 3.11Å; L1775-I1783 HydrophobicContact CB-CD1 4.33Å
1776	T	47.7	Very low	54.1	Low	104.6 Å²	104.6	80.8 Å²	80.8	64%	0.642	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	60.6	-174.6	52.8	0	0	0	0	113.2	Y1774 Y2035 N2039	Y1774-T1776 VanDerWaalsContact C-N 3.33Å; Y1774-T1776 PolarHBondContact O-N 3.11Å; Y1774-T1776 VanDerWaalsContact O-N 3.1Å; T1776-Y2035 VanDerWaalsContact C-CZ 3.46Å; T1776-Y2035 HydrophobicContact CG2-CD1 4.01Å; T1776-Y2035 HydrophobicContact CG2-CE1 4.24Å; T1776-Y2035 VanDerWaalsContact O-CE2 3.23Å; T1776-Y2035 WeakPolarHBondContact O-CE2 3.47Å; T1776-N2039 WeakPolarHBondContact CG2-ND2 3.45Å
1777	G	52.5	Low	56.6	Low	59.4 Å²	59.4	76.6 Å²	76.6	61%	0.612	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-177	-18.4	177.6	0	0	0	0	0	116.1	L1775 Y2035	L1775-G1777 VanDerWaalsContact C-N 3.31Å; L1775-G1777 PolarHBondContact O-N 3.19Å; G1777-Y2035 PolarHBondContact N-OH 3.01Å
1778	L	64.8	Low	59	Low	76.6 Å²	76.6	71.1 Å²	71.1	40%	0.401	38%	0.383	S	S	.	.	S	Bend	trans	-84.6	149.2	178.9	-68.9	173	0	0	0	111.9	L1775 N1780 F1782 I1783	L1775-L1778 HydrophobicContact CB-CD1 4.32Å; L1775-L1778 HydrophobicContact CD1-CD1 3.75Å; L1775-L1778 HydrophobicContact CD2-CD1 4.24Å; L1775-L1778 HydrophobicContact CG-CD1 4.47Å; L1775-L1778 PolarHBondContact O-N 3.11Å; L1778-N1780 PolarHBondContact O-N 2.79Å; L1778-F1782 HydrophobicContact CB-CD1 4.36Å; L1778-F1782 HydrophobicContact CD1-CD1 4.13Å; L1778-F1782 HydrophobicContact CD1-CE1 4.15Å; L1778-F1782 HydrophobicContact CD2-CD1 4.16Å; L1778-F1782 HydrophobicContact CD2-CE1 4.26Å; L1778-F1782 HydrophobicContact CG-CD1 4.4Å; L1778-I1783 HydrophobicContact CB-CD1 4.08Å; L1778-I1783 HydrophobicContact CB-CG1 3.86Å; L1778-I1783 HydrophobicContact CD1-CG1 4.5Å; L1778-I1783 WeakPolarHBondContact O-CD1 3.24Å
1779	P	69	Low	61.3	Low	10.2 Å²	10.2	70.1 Å²	70.1	7%	0.066	37%	0.367	C	S	.	.			trans	-61	138.7	174.8	-10.8	18.3	0	0	0	111.9	Y1731 W1781 F1782 I1783	Y1731-P1779 HydrophobicContact CD2-CG 4.19Å; Y1731-P1779 HydrophobicContact CE2-CB 4.12Å; Y1731-P1779 HydrophobicContact CE2-CG 3.94Å; P1779-W1781 VanDerWaalsContact C-N 3.29Å; P1779-W1781 VanDerWaalsContact CB-CD1 3.49Å; P1779-W1781 HydrophobicContact CB-CG 4.35Å; P1779-W1781 VanDerWaalsContact CB-NE1 3.32Å; P1779-W1781 HydrophobicContact CG-CZ2 4.08Å; P1779-W1781 PolarHBondContact O-N 2.81Å; P1779-F1782 HydrophobicContact CB-CB 4.19Å; P1779-F1782 HydrophobicContact CG-CB 4.25Å; P1779-F1782 WeakPolarHBondContact O-CA 3.27Å; P1779-F1782 WeakPolarHBondContact O-CB 3.3Å; P1779-F1782 PolarHBondContact O-N 3.01Å; P1779-I1783 PolarHBondContact O-N 3.16Å; P1779-I1783 VanDerWaalsContact O-N 3.07Å
1780	N	70.4	Confident	63.3	Low	52 Å²	52	68.3 Å²	68.3	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-59.1	-35.5	-178.2	177.4	50.7	0	0	0	113.4	N1739 L1778 F1782 I1783 R1784	N1739-N1780 PolarHBondContact ND2-ND2 2.99Å; L1778-N1780 PolarHBondContact O-N 2.79Å; N1780-F1782 VanDerWaalsContact C-N 3.29Å; N1780-F1782 PolarHBondContact O-N 2.96Å; N1780-I1783 PolarHBondContact O-N 3.09Å; N1780-R1784 PolarHBondContact ND2-NE 3.35Å; N1780-R1784 PolarHBondContact ND2-NH2 3.09Å; N1780-R1784 WeakPolarHBondContact O-CB 3.4Å; N1780-R1784 WeakPolarHBondContact O-CG 3.35Å; N1780-R1784 PolarHBondContact O-N 3.14Å; N1780-R1784 VanDerWaalsContact O-N 3.08Å; N1780-R1784 PolarHBondContact O-NE 2.87Å; N1780-R1784 PolarHBondContact OD1-NE 3.03Å; N1780-R1784 PolarHBondContact OD1-NH2 3.43Å; N1780-R1784 VanDerWaalsContact OD1-NH2 3.14Å
1781	W	78.9	Confident	65	Low	13.8 Å²	13.8	67.7 Å²	67.7	5%	0.052	36%	0.355	C	S	.	.	H	α-helix	trans	-63.1	-35.8	174.2	74.2	-99.2	0	0	0	111.7	L1578 V1595 Y1630 V1661 P1779 R1784 F1785	L1578-W1781 HydrophobicContact CD1-CB 3.95Å; V1595-W1781 HydrophobicContact CG1-CZ3 4.42Å; V1595-W1781 HydrophobicContact CG2-CE3 3.74Å; V1595-W1781 HydrophobicContact CG2-CZ3 4Å; Y1630-W1781 HydrophobicContact CD2-CB 4.2Å; Y1630-W1781 HydrophobicContact CD2-CD2 4.25Å; Y1630-W1781 HydrophobicContact CD2-CE3 4.27Å; Y1630-W1781 HydrophobicContact CD2-CG 4.17Å; Y1630-W1781 HydrophobicContact CE1-CB 4.42Å; Y1630-W1781 HydrophobicContact CE2-CB 3.72Å; Y1630-W1781 HydrophobicContact CE2-CD2 4.39Å; Y1630-W1781 AromaticContact CE2-CG 3.95Å; Y1630-W1781 HydrophobicContact CE2-CG 4.13Å; Y1630-W1781 HydrophobicContact CG-CD2 4.49Å; Y1630-W1781 HydrophobicContact CG-CG 4.29Å; V1661-W1781 HydrophobicContact CB-CH2 4.43Å; V1661-W1781 HydrophobicContact CB-CZ2 4.32Å; V1661-W1781 HydrophobicContact CG1-CH2 3.7Å; V1661-W1781 HydrophobicContact CG1-CZ2 3.46Å; V1661-W1781 VanDerWaalsContact CG1-CZ2 3.42Å; V1661-W1781 HydrophobicContact CG2-CH2 4.31Å; V1661-W1781 HydrophobicContact CG2-CZ2 3.94Å; P1779-W1781 VanDerWaalsContact C-N 3.29Å; P1779-W1781 VanDerWaalsContact CB-CD1 3.49Å; P1779-W1781 HydrophobicContact CB-CG 4.35Å; P1779-W1781 VanDerWaalsContact CB-NE1 3.32Å; P1779-W1781 HydrophobicContact CG-CZ2 4.08Å; P1779-W1781 PolarHBondContact O-N 2.81Å; W1781-R1784 PolarHBondContact O-N 3.03Å; W1781-F1785 HydrophobicContact CE3-CB 4.45Å; W1781-F1785 HydrophobicContact CZ3-CB 4.46Å; W1781-F1785 VanDerWaalsContact O-CB 3.3Å; W1781-F1785 WeakPolarHBondContact O-CB 3.27Å; W1781-F1785 PolarHBondContact O-N 2.99Å
1782	F	79.3	Confident	66.7	Low	63.4 Å²	63.4	62.9 Å²	62.9	28%	0.278	33%	0.331	S	S	.	.	H	α-helix	trans	-74.6	-40.5	180	-177.2	-106.6	0	0	0	111.3	L1778 P1779 N1780 R1784 F1785 C1786	L1778-F1782 HydrophobicContact CB-CD1 4.36Å; L1778-F1782 HydrophobicContact CD1-CD1 4.13Å; L1778-F1782 HydrophobicContact CD1-CE1 4.15Å; L1778-F1782 HydrophobicContact CD2-CD1 4.16Å; L1778-F1782 HydrophobicContact CD2-CE1 4.26Å; L1778-F1782 HydrophobicContact CG-CD1 4.4Å; P1779-F1782 HydrophobicContact CB-CB 4.19Å; P1779-F1782 HydrophobicContact CG-CB 4.25Å; P1779-F1782 WeakPolarHBondContact O-CA 3.27Å; P1779-F1782 WeakPolarHBondContact O-CB 3.3Å; P1779-F1782 PolarHBondContact O-N 3.01Å; N1780-F1782 VanDerWaalsContact C-N 3.29Å; N1780-F1782 PolarHBondContact O-N 2.96Å; F1782-R1784 VanDerWaalsContact C-N 3.31Å; F1782-R1784 PolarHBondContact O-N 3Å; F1782-F1785 HydrophobicContact CD2-CD1 4.47Å; F1782-F1785 HydrophobicContact CE2-CD1 4.5Å; F1782-F1785 WeakPolarHBondContact O-CB 3.42Å; F1782-F1785 PolarHBondContact O-N 3.18Å; F1782-F1785 VanDerWaalsContact O-N 3.15Å; F1782-C1786 VanDerWaalsContact CZ-SG 3.6Å; F1782-C1786 WeakPolarHBondContact O-CB 3.33Å; F1782-C1786 PolarHBondContact O-N 2.86Å; F1782-C1786 PolarHBondContact O-SG 3.18Å; F1782-C1786 VanDerWaalsContact O-SG 3.35Å
1783	I	76.7	Confident	68.4	Low	34.4 Å²	34.4	61.8 Å²	61.8	18%	0.176	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-44	172.7	-62.1	171.3	0	0	0	110.3	F1772 L1775 L1778 P1779 N1780 C1786 S1787	F1772-I1783 HydrophobicContact CB-CG2 4.08Å; F1772-I1783 HydrophobicContact CD1-CG2 4.08Å; F1772-I1783 HydrophobicContact CE1-CG2 4.28Å; F1772-I1783 HydrophobicContact CG-CG2 4.11Å; L1775-I1783 HydrophobicContact CB-CD1 4.33Å; L1778-I1783 HydrophobicContact CB-CD1 4.08Å; L1778-I1783 HydrophobicContact CB-CG1 3.86Å; L1778-I1783 HydrophobicContact CD1-CG1 4.5Å; L1778-I1783 WeakPolarHBondContact O-CD1 3.24Å; P1779-I1783 PolarHBondContact O-N 3.16Å; P1779-I1783 VanDerWaalsContact O-N 3.07Å; N1780-I1783 PolarHBondContact O-N 3.09Å; I1783-C1786 PolarHBondContact O-N 2.83Å; I1783-S1787 WeakPolarHBondContact O-CB 3.3Å; I1783-S1787 PolarHBondContact O-N 3.22Å
1784	R	80.5	Confident	70	Confident	27.2 Å²	27.2	58.8 Å²	58.8	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-38.2	174.7	-73.7	-179.7	-56	-169.5	-2.6	112.8	L1578 P1579 S1581 E1593 N1780 W1781 F1782 S1787 L1788	L1578-R1784 HydrophobicContact CD1-CB 4.16Å; L1578-R1784 HydrophobicContact CD2-CB 4.33Å; P1579-R1784 HydrophobicContact CG-CB 4.43Å; P1579-R1784 VanDerWaalsContact O-CZ 3.28Å; P1579-R1784 PolarHBondContact O-NE 2.99Å; P1579-R1784 PolarHBondContact O-NH1 3.22Å; P1579-R1784 PolarHBondContact O-NH2 3.47Å; S1581-R1784 VanDerWaalsContact CB-NH2 3.33Å; E1593-R1784 IonicContact OE1-CZ 3.23Å; E1593-R1784 IonicContact OE1-NH1 2.99Å; E1593-R1784 PolarHBondContact OE1-NH1 3Å; E1593-R1784 IonicContact OE1-NH2 3.01Å; E1593-R1784 IonicContact OE2-CZ 2.93Å; E1593-R1784 IonicContact OE2-NH1 3.59Å; E1593-R1784 PolarHBondContact OE2-NH1 2.99Å; E1593-R1784 IonicContact OE2-NH2 3.74Å; E1593-R1784 PolarHBondContact OE2-NH2 3.05Å; N1780-R1784 PolarHBondContact ND2-NE 3.35Å; N1780-R1784 PolarHBondContact ND2-NH2 3.09Å; N1780-R1784 WeakPolarHBondContact O-CB 3.4Å; N1780-R1784 WeakPolarHBondContact O-CG 3.35Å; N1780-R1784 PolarHBondContact O-N 3.14Å; N1780-R1784 VanDerWaalsContact O-N 3.08Å; N1780-R1784 PolarHBondContact O-NE 2.87Å; N1780-R1784 PolarHBondContact OD1-NE 3.03Å; N1780-R1784 PolarHBondContact OD1-NH2 3.43Å; N1780-R1784 VanDerWaalsContact OD1-NH2 3.14Å; W1781-R1784 PolarHBondContact O-N 3.03Å; F1782-R1784 VanDerWaalsContact C-N 3.31Å; F1782-R1784 PolarHBondContact O-N 3Å; R1784-S1787 WeakPolarHBondContact CA-OG 3.38Å; R1784-S1787 WeakPolarHBondContact O-CB 3.35Å; R1784-S1787 PolarHBondContact O-N 3Å; R1784-S1787 PolarHBondContact O-OG 2.95Å; R1784-L1788 WeakPolarHBondContact O-CG 3.22Å; R1784-L1788 PolarHBondContact O-N 3.01Å
1785	F	84.3	Confident	71.6	Confident	29.4 Å²	29.4	53.5 Å²	53.5	13%	0.129	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-49.8	173.5	178.1	-97	0	0	0	111.3	T1576 L1578 V1595 I1597 W1781 F1782 S1787 L1788 Y1789	T1576-F1785 HydrophobicContact CG2-CD2 4.25Å; T1576-F1785 HydrophobicContact CG2-CE2 4.24Å; L1578-F1785 HydrophobicContact CD2-CB 3.95Å; L1578-F1785 HydrophobicContact CD2-CD2 4.36Å; V1595-F1785 HydrophobicContact CB-CD2 3.8Å; V1595-F1785 HydrophobicContact CB-CE2 4.08Å; V1595-F1785 HydrophobicContact CG1-CD2 3.84Å; V1595-F1785 HydrophobicContact CG1-CE2 3.81Å; V1595-F1785 HydrophobicContact CG1-CZ 4.48Å; V1595-F1785 HydrophobicContact CG2-CB 4.41Å; V1595-F1785 HydrophobicContact CG2-CD2 3.85Å; V1595-F1785 HydrophobicContact CG2-CE2 4.47Å; V1595-F1785 HydrophobicContact CG2-CG 4.4Å; I1597-F1785 HydrophobicContact CD1-CE1 4.39Å; I1597-F1785 HydrophobicContact CD1-CE2 4.22Å; I1597-F1785 HydrophobicContact CD1-CZ 3.66Å; W1781-F1785 HydrophobicContact CE3-CB 4.45Å; W1781-F1785 HydrophobicContact CZ3-CB 4.46Å; W1781-F1785 VanDerWaalsContact O-CB 3.3Å; W1781-F1785 WeakPolarHBondContact O-CB 3.27Å; W1781-F1785 PolarHBondContact O-N 2.99Å; F1782-F1785 HydrophobicContact CD2-CD1 4.47Å; F1782-F1785 HydrophobicContact CE2-CD1 4.5Å; F1782-F1785 WeakPolarHBondContact O-CB 3.42Å; F1782-F1785 PolarHBondContact O-N 3.18Å; F1782-F1785 VanDerWaalsContact O-N 3.15Å; F1785-S1787 VanDerWaalsContact C-N 3.3Å; F1785-S1787 PolarHBondContact O-N 2.97Å; F1785-L1788 WeakPolarHBondContact O-CB 3.34Å; F1785-L1788 PolarHBondContact O-N 2.97Å; F1785-L1788 VanDerWaalsContact O-N 3.09Å; F1785-Y1789 HydrophobicContact CD2-CE2 4.2Å; F1785-Y1789 HydrophobicContact CE1-CD2 4.31Å; F1785-Y1789 HydrophobicContact CE1-CE2 4.25Å; F1785-Y1789 HydrophobicContact CE2-CD2 4.31Å; F1785-Y1789 AromaticContact CE2-CE2 3.61Å; F1785-Y1789 HydrophobicContact CE2-CE2 3.61Å; F1785-Y1789 VanDerWaalsContact CE2-CE2 3.48Å; F1785-Y1789 AromaticContact CZ-CD2 3.91Å; F1785-Y1789 HydrophobicContact CZ-CD2 4.13Å; F1785-Y1789 AromaticContact CZ-CE2 3.62Å; F1785-Y1789 HydrophobicContact CZ-CE2 3.62Å; F1785-Y1789 WeakPolarHBondContact O-CD2 3.36Å
1786	C	82	Confident	73.2	Confident	40.8 Å²	40.8	53.4 Å²	53.4	28%	0.276	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-38.2	175.4	-68.4	0	0	0	0	112.4	F1772 F1782 I1783 L1788 Y1789 Q1790	F1772-C1786 HydrophobicContact CE1-CB 4.29Å; F1772-C1786 HydrophobicContact CZ-CB 4.4Å; F1782-C1786 VanDerWaalsContact CZ-SG 3.6Å; F1782-C1786 WeakPolarHBondContact O-CB 3.33Å; F1782-C1786 PolarHBondContact O-N 2.86Å; F1782-C1786 PolarHBondContact O-SG 3.18Å; F1782-C1786 VanDerWaalsContact O-SG 3.35Å; I1783-C1786 PolarHBondContact O-N 2.83Å; C1786-L1788 PolarHBondContact O-N 3.07Å; C1786-Y1789 CarbonylContact O-C 3.56Å; C1786-Y1789 PolarHBondContact O-N 3Å; C1786-Y1789 VanDerWaalsContact O-N 3.14Å; C1786-Q1790 PolarHBondContact O-N 3.12Å; C1786-Q1790 VanDerWaalsContact O-N 3.1Å
1787	S	78.9	Confident	74.7	Confident	36 Å²	36	49.2 Å²	49.2	25%	0.252	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-20.9	178.6	76.8	0	0	0	0	113.9	K1349 I1783 R1784 F1785 Y1789	K1349-S1787 WeakPolarHBondContact CD-O 3.32Å; K1349-S1787 WeakPolarHBondContact CE-O 3.37Å; K1349-S1787 PolarHBondContact NZ-O 3.34Å; I1783-S1787 WeakPolarHBondContact O-CB 3.3Å; I1783-S1787 PolarHBondContact O-N 3.22Å; R1784-S1787 WeakPolarHBondContact CA-OG 3.38Å; R1784-S1787 WeakPolarHBondContact O-CB 3.35Å; R1784-S1787 PolarHBondContact O-N 3Å; R1784-S1787 PolarHBondContact O-OG 2.95Å; F1785-S1787 VanDerWaalsContact C-N 3.3Å; F1785-S1787 PolarHBondContact O-N 2.97Å; S1787-Y1789 VanDerWaalsContact C-N 3.25Å; S1787-Y1789 PolarHBondContact O-N 3.46Å
1788	L	81	Confident	75.8	Confident	17.6 Å²	17.6	48.3 Å²	48.3	9%	0.092	26%	0.264	C	S	.	.	H	α-helix	trans	-71.5	-33.9	172.6	-72.4	172.5	0	0	0	113	K1349 T1576 F1577 L1578 P1579 R1784 F1785 C1786 Q1790	K1349-L1788 HydrophobicContact CB-CD2 3.69Å; K1349-L1788 HydrophobicContact CG-CD2 4.07Å; T1576-L1788 HydrophobicContact CG2-CD1 3.31Å; F1577-L1788 WeakPolarHBondContact O-CD1 3.14Å; L1578-L1788 HydrophobicContact CD2-CD1 3.95Å; P1579-L1788 HydrophobicContact CG-CD2 4.1Å; P1579-L1788 HydrophobicContact CG-CG 4.22Å; R1784-L1788 WeakPolarHBondContact O-CG 3.22Å; R1784-L1788 PolarHBondContact O-N 3.01Å; F1785-L1788 WeakPolarHBondContact O-CB 3.34Å; F1785-L1788 PolarHBondContact O-N 2.97Å; F1785-L1788 VanDerWaalsContact O-N 3.09Å; C1786-L1788 PolarHBondContact O-N 3.07Å; L1788-Q1790 VanDerWaalsContact C-N 3.34Å
1789	Y	79.4	Confident	76.4	Confident	93.4 Å²	93.4	50.7 Å²	50.7	37%	0.366	27%	0.273	S	S	.	.	H	α-helix	trans	-100.7	4.7	-179	-63	-80.7	0	0	0	113.2	I1346 V1352 T1576 F1785 C1786 S1787 T1791	I1346-Y1789 HydrophobicContact CD1-CE1 3.9Å; I1346-Y1789 WeakPolarHBondContact CD1-OH 3.43Å; I1346-Y1789 HydrophobicContact CG1-CE1 4.49Å; V1352-Y1789 HydrophobicContact CG1-CD1 4.12Å; V1352-Y1789 HydrophobicContact CG2-CE1 4.44Å; T1576-Y1789 HydrophobicContact CG2-CE2 4.1Å; T1576-Y1789 PolarHBondContact OG1-OH 3.13Å; T1576-Y1789 VanDerWaalsContact OG1-OH 3.13Å; F1785-Y1789 HydrophobicContact CD2-CE2 4.2Å; F1785-Y1789 HydrophobicContact CE1-CD2 4.31Å; F1785-Y1789 HydrophobicContact CE1-CE2 4.25Å; F1785-Y1789 HydrophobicContact CE2-CD2 4.31Å; F1785-Y1789 AromaticContact CE2-CE2 3.61Å; F1785-Y1789 HydrophobicContact CE2-CE2 3.61Å; F1785-Y1789 VanDerWaalsContact CE2-CE2 3.48Å; F1785-Y1789 AromaticContact CZ-CD2 3.91Å; F1785-Y1789 HydrophobicContact CZ-CD2 4.13Å; F1785-Y1789 AromaticContact CZ-CE2 3.62Å; F1785-Y1789 HydrophobicContact CZ-CE2 3.62Å; F1785-Y1789 WeakPolarHBondContact O-CD2 3.36Å; C1786-Y1789 CarbonylContact O-C 3.56Å; C1786-Y1789 PolarHBondContact O-N 3Å; C1786-Y1789 VanDerWaalsContact O-N 3.14Å; S1787-Y1789 VanDerWaalsContact C-N 3.25Å; S1787-Y1789 PolarHBondContact O-N 3.46Å; Y1789-T1791 PolarHBondContact O-N 3.01Å
1790	Q	75.6	Confident	77	Confident	79.4 Å²	79.4	53 Å²	53	37%	0.371	28%	0.282	S	S	.	.	S	Bend	trans	-63.7	133.7	171.6	-173.3	-179.5	-6	0	0	109.5	F1772 C1786 L1788	F1772-Q1790 VanDerWaalsContact CE2-OE1 3.29Å; C1786-Q1790 PolarHBondContact O-N 3.12Å; C1786-Q1790 VanDerWaalsContact O-N 3.1Å; L1788-Q1790 VanDerWaalsContact C-N 3.34Å
1791	T	71.5	Confident	77.3	Confident	94.4 Å²	94.4	53.5 Å²	53.5	58%	0.579	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-53.9	142.6	174.5	48.5	0	0	0	0	111	Y1789 S1793	Y1789-T1791 PolarHBondContact O-N 3.01Å; T1791-S1793 PolarHBondContact O-N 2.81Å
1792	P	74.4	Confident	76.9	Confident	19 Å²	19	56.6 Å²	56.6	12%	0.123	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-54	146.7	175.9	-14.7	20.9	0	0	0	111.5	E1353 C1356 L1357 F1796 I1797	E1353-P1792 HydrophobicContact CB-CG 4.28Å; E1353-P1792 HydrophobicContact CG-CG 4.36Å; C1356-P1792 HydrophobicContact CB-CG 4.38Å; L1357-P1792 HydrophobicContact CD1-CG 4.36Å; L1357-P1792 HydrophobicContact CD2-CB 4.27Å; L1357-P1792 HydrophobicContact CD2-CG 4.02Å; L1357-P1792 HydrophobicContact CG-CG 4.11Å; P1792-F1796 HydrophobicContact CB-CB 4.47Å; P1792-F1796 HydrophobicContact CB-CD1 4.11Å; P1792-F1796 HydrophobicContact CG-CD1 4.5Å; P1792-I1797 HydrophobicContact CB-CD1 4.35Å; P1792-I1797 HydrophobicContact CB-CG1 4.23Å; P1792-I1797 HydrophobicContact CG-CD1 4.07Å; P1792-I1797 HydrophobicContact CG-CG1 3.86Å; P1792-I1797 VanDerWaalsContact O-CD1 3.25Å; P1792-I1797 WeakPolarHBondContact O-CD1 3.3Å
1793	S	72.6	Confident	76.4	Confident	47.6 Å²	47.6	56.7 Å²	56.7	33%	0.333	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-61	145.8	180	60.2	0	0	0	0	111.1	T1791 S1795 F1796 I1797	T1791-S1793 PolarHBondContact O-N 2.81Å; S1793-S1795 PolarHBondContact O-N 3.15Å; S1793-S1795 VanDerWaalsContact O-N 3.13Å; S1793-S1795 PolarHBondContact OG-OG 3.12Å; S1793-S1795 VanDerWaalsContact OG-OG 3.13Å; S1793-F1796 WeakPolarHBondContact O-CA 3.37Å; S1793-F1796 WeakPolarHBondContact O-CB 3.22Å; S1793-F1796 PolarHBondContact O-N 3.07Å; S1793-F1796 PolarHBondContact OG-N 2.8Å; S1793-I1797 PolarHBondContact O-N 3.05Å; S1793-I1797 VanDerWaalsContact O-N 3.13Å
1794	L	69.9	Low	76	Confident	60 Å²	60	58.8 Å²	58.8	31%	0.314	32%	0.318	S	S	.	.	H	α-helix	trans	-57.3	-31.6	-178.8	-173.2	64	0	0	0	112.2	F1796 I1797 A1798 Y1804 A1806 M1868 L1869	L1794-F1796 VanDerWaalsContact C-N 3.33Å; L1794-F1796 PolarHBondContact O-N 2.92Å; L1794-I1797 PolarHBondContact O-N 2.87Å; L1794-A1798 VanDerWaalsContact O-CB 3.26Å; L1794-A1798 WeakPolarHBondContact O-CB 3.4Å; L1794-A1798 PolarHBondContact O-N 3.04Å; L1794-Y1804 HydrophobicContact CD1-CD1 4.09Å; L1794-Y1804 HydrophobicContact CD1-CE1 3.9Å; L1794-A1806 HydrophobicContact CD1-CB 4.07Å; L1794-M1868 HydrophobicContact CD2-CE 3.8Å; L1794-M1868 HydrophobicContact CD2-SD 4.47Å; L1794-L1869 HydrophobicContact CD2-CD1 3.79Å
1795	S	72.9	Confident	75.3	Confident	81.4 Å²	81.4	65.4 Å²	65.4	57%	0.569	34%	0.344	S	S	*	.	H	α-helix	trans	-59.7	-39.5	172.4	55.7	0	0	0	0	113.6	S1793 A1798 E1799	S1793-S1795 PolarHBondContact O-N 3.15Å; S1793-S1795 VanDerWaalsContact O-N 3.13Å; S1793-S1795 PolarHBondContact OG-OG 3.12Å; S1793-S1795 VanDerWaalsContact OG-OG 3.13Å; S1795-A1798 PolarHBondContact O-N 2.98Å; S1795-E1799 WeakPolarHBondContact O-CB 3.41Å; S1795-E1799 PolarHBondContact O-N 3.04Å; S1795-E1799 VanDerWaalsContact O-N 3.12Å
1796	F	74.8	Confident	74.4	Confident	80.8 Å²	80.8	65.6 Å²	65.6	35%	0.354	35%	0.351	S	S	.	.	H	α-helix	trans	-75.4	-38.9	179.2	-171.5	-112.9	0	0	0	111.2	L1357 P1792 S1793 L1794 A1798 E1799 E1800	L1357-F1796 HydrophobicContact CD1-CD1 3.77Å; L1357-F1796 HydrophobicContact CD1-CE1 3.36Å; L1357-F1796 VanDerWaalsContact CD1-CE1 3.47Å; L1357-F1796 HydrophobicContact CD1-CZ 4.3Å; L1357-F1796 HydrophobicContact CG-CE1 4.41Å; P1792-F1796 HydrophobicContact CB-CB 4.47Å; P1792-F1796 HydrophobicContact CB-CD1 4.11Å; P1792-F1796 HydrophobicContact CG-CD1 4.5Å; S1793-F1796 WeakPolarHBondContact O-CA 3.37Å; S1793-F1796 WeakPolarHBondContact O-CB 3.22Å; S1793-F1796 PolarHBondContact O-N 3.07Å; S1793-F1796 PolarHBondContact OG-N 2.8Å; L1794-F1796 VanDerWaalsContact C-N 3.33Å; L1794-F1796 PolarHBondContact O-N 2.92Å; F1796-A1798 VanDerWaalsContact C-N 3.31Å; F1796-A1798 PolarHBondContact O-N 2.89Å; F1796-E1799 PolarHBondContact O-N 3.11Å; F1796-E1800 HydrophobicContact CE2-CG 4.5Å; F1796-E1800 HydrophobicContact CZ-CG 4.47Å; F1796-E1800 PolarHBondContact O-N 3.11Å; F1796-E1800 VanDerWaalsContact O-N 3.09Å
1797	I	78.3	Confident	73.7	Confident	15.6 Å²	15.6	65.7 Å²	65.7	8%	0.08	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-42.1	172.9	-60.2	167.6	0	0	0	110.3	L1357 Y1361 P1792 S1793 L1794 E1799 E1800 Y1801 Y1804	L1357-I1797 HydrophobicContact CD2-CG1 4.22Å; Y1361-I1797 HydrophobicContact CD1-CG2 4.4Å; Y1361-I1797 HydrophobicContact CE1-CD1 4.4Å; Y1361-I1797 HydrophobicContact CE1-CG1 4.49Å; Y1361-I1797 HydrophobicContact CE1-CG2 3.9Å; Y1361-I1797 WeakPolarHBondContact OH-CD1 3.27Å; P1792-I1797 HydrophobicContact CB-CD1 4.35Å; P1792-I1797 HydrophobicContact CB-CG1 4.23Å; P1792-I1797 HydrophobicContact CG-CD1 4.07Å; P1792-I1797 HydrophobicContact CG-CG1 3.86Å; P1792-I1797 VanDerWaalsContact O-CD1 3.25Å; P1792-I1797 WeakPolarHBondContact O-CD1 3.3Å; S1793-I1797 PolarHBondContact O-N 3.05Å; S1793-I1797 VanDerWaalsContact O-N 3.13Å; L1794-I1797 PolarHBondContact O-N 2.87Å; I1797-E1799 VanDerWaalsContact C-N 3.31Å; I1797-E1799 PolarHBondContact O-N 3.23Å; I1797-E1800 PolarHBondContact O-N 3.04Å; I1797-Y1801 HydrophobicContact CG2-CD2 4.31Å; I1797-Y1801 WeakPolarHBondContact O-CA 3.38Å; I1797-Y1801 WeakPolarHBondContact O-CB 3.32Å; I1797-Y1801 WeakPolarHBondContact O-CD2 3.41Å; I1797-Y1801 PolarHBondContact O-N 3.08Å; I1797-Y1804 HydrophobicContact CB-CD1 4.39Å; I1797-Y1804 HydrophobicContact CG2-CD1 3.86Å; I1797-Y1804 VanDerWaalsContact CG2-CD1 3.45Å; I1797-Y1804 HydrophobicContact CG2-CE1 3.88Å; I1797-Y1804 HydrophobicContact CG2-CG 4.14Å
1798	A	75.7	Confident	73.3	Confident	41.4 Å²	41.4	65.5 Å²	65.5	34%	0.342	35%	0.352	S	S	.	.	H	α-helix	trans	-71.3	-23.5	177.9	0	0	0	0	0	113.7	L1794 S1795 F1796 Y1801 P1802	L1794-A1798 VanDerWaalsContact O-CB 3.26Å; L1794-A1798 WeakPolarHBondContact O-CB 3.4Å; L1794-A1798 PolarHBondContact O-N 3.04Å; S1795-A1798 PolarHBondContact O-N 2.98Å; F1796-A1798 VanDerWaalsContact C-N 3.31Å; F1796-A1798 PolarHBondContact O-N 2.89Å; A1798-Y1801 CarbonylContact O-C 3.54Å; A1798-P1802 VanDerWaalsContact O-CA 3.28Å; A1798-P1802 WeakPolarHBondContact O-CA 3.36Å; A1798-P1802 WeakPolarHBondContact O-CG 3.5Å
1799	E	78.7	Confident	73	Confident	126.8 Å²	126.8	66 Å²	66	59%	0.593	36%	0.356	S	S	*	.	H	α-helix	trans	-74.6	-46.3	172.5	-173.6	172.3	-170.7	0	0	111.4	N1094 S1795 F1796 I1797	N1094-E1799 PolarHBondContact ND2-O 2.99Å; S1795-E1799 WeakPolarHBondContact O-CB 3.41Å; S1795-E1799 PolarHBondContact O-N 3.04Å; S1795-E1799 VanDerWaalsContact O-N 3.12Å; F1796-E1799 PolarHBondContact O-N 3.11Å; I1797-E1799 VanDerWaalsContact C-N 3.31Å; I1797-E1799 PolarHBondContact O-N 3.23Å
1800	E	80.5	Confident	73.2	Confident	58 Å²	58	64.5 Å²	64.5	27%	0.271	35%	0.354	S	S	.	.	H	α-helix	trans	-74.5	-32	177.5	-95.1	-98.8	157.4	0	0	113.2	S1095 R1107 L1357 R1358 F1796 I1797 P1802	S1095-E1800 PolarHBondContact OG-OE1 2.96Å; R1107-E1800 IonicContact CZ-OE2 3.78Å; R1107-E1800 IonicContact NH1-OE1 3.41Å; R1107-E1800 IonicContact NH1-OE2 3.51Å; R1107-E1800 PolarHBondContact NH1-OE2 3.42Å; R1107-E1800 IonicContact NH2-OE2 3.73Å; R1107-E1800 PolarHBondContact NH2-OE2 2.83Å; L1357-E1800 HydrophobicContact CD1-CB 4.28Å; L1357-E1800 HydrophobicContact CD1-CG 4.01Å; R1358-E1800 IonicContact CZ-OE2 2.84Å; R1358-E1800 IonicContact NH1-OE2 3.19Å; R1358-E1800 PolarHBondContact NH1-OE2 2.91Å; R1358-E1800 IonicContact NH2-OE1 3.74Å; R1358-E1800 IonicContact NH2-OE2 3.51Å; R1358-E1800 PolarHBondContact NH2-OE2 2.9Å; F1796-E1800 HydrophobicContact CE2-CG 4.5Å; F1796-E1800 HydrophobicContact CZ-CG 4.47Å; F1796-E1800 PolarHBondContact O-N 3.11Å; F1796-E1800 VanDerWaalsContact O-N 3.09Å; I1797-E1800 PolarHBondContact O-N 3.04Å; E1800-P1802 VanDerWaalsContact C-CD 3.48Å; E1800-P1802 WeakPolarHBondContact O-CD 3.45Å
1801	Y	76.6	Confident	73.7	Confident	63.4 Å²	63.4	63.8 Å²	63.8	25%	0.249	35%	0.35	C	S	.	.			trans	-130.3	73.2	-178.3	-53.9	-82.8	0	0	0	112.3	P1062 E1064 A1065 L1357 R1358 Y1361 D1362 L1365 I1797 A1798 S1803 Y1804	P1062-Y1801 HydrophobicContact CG-CD1 4.06Å; P1062-Y1801 HydrophobicContact CG-CE1 3.74Å; E1064-Y1801 CarbonylContact O-C 3.59Å; E1064-Y1801 VanDerWaalsContact O-C 3.25Å; E1064-Y1801 WeakPolarHBondContact O-CA 3.22Å; A1065-Y1801 HydrophobicContact CB-CD1 4.2Å; L1357-Y1801 HydrophobicContact CB-CE2 4.5Å; L1357-Y1801 HydrophobicContact CD1-CE2 4.25Å; L1357-Y1801 HydrophobicContact CD2-CE2 3.97Å; L1357-Y1801 PolarHBondContact O-OH 2.82Å; R1358-Y1801 PolarHBondContact NH1-OH 3.07Å; Y1361-Y1801 VanDerWaalsContact CB-CE2 3.48Å; Y1361-Y1801 VanDerWaalsContact CB-CZ 3.43Å; Y1361-Y1801 HydrophobicContact CD1-CD2 4.31Å; Y1361-Y1801 HydrophobicContact CD1-CE2 4.31Å; Y1361-Y1801 HydrophobicContact CG-CD2 4.35Å; Y1361-Y1801 AromaticContact CG-CE2 3.88Å; Y1361-Y1801 HydrophobicContact CG-CE2 4.03Å; D1362-Y1801 WeakPolarHBondContact OD1-CE1 3.47Å; D1362-Y1801 PolarHBondContact OD1-OH 2.75Å; D1362-Y1801 PolarHBondContact OD2-OH 3.33Å; L1365-Y1801 HydrophobicContact CD1-CD1 4.11Å; L1365-Y1801 HydrophobicContact CD1-CE1 4.43Å; I1797-Y1801 HydrophobicContact CG2-CD2 4.31Å; I1797-Y1801 WeakPolarHBondContact O-CA 3.38Å; I1797-Y1801 WeakPolarHBondContact O-CB 3.32Å; I1797-Y1801 WeakPolarHBondContact O-CD2 3.41Å; I1797-Y1801 PolarHBondContact O-N 3.08Å; A1798-Y1801 CarbonylContact O-C 3.54Å; Y1801-S1803 PolarHBondContact O-N 3.07Å; Y1801-Y1804 VanDerWaalsContact O-CB 3.29Å; Y1801-Y1804 WeakPolarHBondContact O-CB 3.39Å; Y1801-Y1804 PolarHBondContact O-N 3.14Å
1802	P	70.5	Confident	74.5	Confident	79 Å²	79	60.1 Å²	60.1	51%	0.513	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-5.9	-175.2	-4.4	7.2	0	0	0	116.1	K1067 A1798 E1800	K1067-P1802 HydrophobicContact CB-CB 3.95Å; K1067-P1802 HydrophobicContact CB-CG 3.79Å; K1067-P1802 HydrophobicContact CD-CB 3.99Å; K1067-P1802 HydrophobicContact CG-CB 4.09Å; K1067-P1802 HydrophobicContact CG-CG 4.47Å; A1798-P1802 VanDerWaalsContact O-CA 3.28Å; A1798-P1802 WeakPolarHBondContact O-CA 3.36Å; A1798-P1802 WeakPolarHBondContact O-CG 3.5Å; E1800-P1802 VanDerWaalsContact C-CD 3.48Å; E1800-P1802 WeakPolarHBondContact O-CD 3.45Å
1803	S	70.3	Confident	75.3	Confident	66 Å²	66	61.3 Å²	61.3	46%	0.462	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	5.5	173.2	-24.6	0	0	0	0	113.6	E1064 I1066 Y1801 Y1805	E1064-S1803 PolarHBondContact O-N 2.88Å; I1066-S1803 PolarHBondContact O-OG 3.13Å; I1066-S1803 VanDerWaalsContact O-OG 3.11Å; Y1801-S1803 PolarHBondContact O-N 3.07Å; S1803-Y1805 WeakPolarHBondContact O-CD2 3.34Å; S1803-Y1805 PolarHBondContact O-N 2.82Å
1804	Y	68.5	Low	76.3	Confident	78.4 Å²	78.4	60.3 Å²	60.3	31%	0.307	32%	0.322	S	S	.	.			trans	-79.3	122.5	173.8	179.8	-104.2	0	0	0	110.8	E1064 Y1361 L1365 L1794 I1797 Y1801 A1806 P1807	E1064-Y1804 HydrophobicContact CG-CD2 4.39Å; Y1361-Y1804 HydrophobicContact CD1-CE1 4.47Å; Y1361-Y1804 HydrophobicContact CE1-CD1 4.43Å; Y1361-Y1804 AromaticContact CE1-CE1 3.97Å; Y1361-Y1804 HydrophobicContact CE1-CE1 4.01Å; L1365-Y1804 HydrophobicContact CD1-CD2 3.73Å; L1365-Y1804 HydrophobicContact CD1-CE2 4.09Å; L1365-Y1804 HydrophobicContact CD1-CG 4.32Å; L1365-Y1804 HydrophobicContact CD2-CD2 3.94Å; L1365-Y1804 HydrophobicContact CD2-CE2 3.71Å; L1365-Y1804 HydrophobicContact CG-CD2 4.48Å; L1794-Y1804 HydrophobicContact CD1-CD1 4.09Å; L1794-Y1804 HydrophobicContact CD1-CE1 3.9Å; I1797-Y1804 HydrophobicContact CB-CD1 4.39Å; I1797-Y1804 HydrophobicContact CG2-CD1 3.86Å; I1797-Y1804 VanDerWaalsContact CG2-CD1 3.45Å; I1797-Y1804 HydrophobicContact CG2-CE1 3.88Å; I1797-Y1804 HydrophobicContact CG2-CG 4.14Å; Y1801-Y1804 VanDerWaalsContact O-CB 3.29Å; Y1801-Y1804 WeakPolarHBondContact O-CB 3.39Å; Y1801-Y1804 PolarHBondContact O-N 3.14Å; Y1804-A1806 HydrophobicContact CE1-CB 4Å; Y1804-P1807 WeakPolarHBondContact OH-CD 3.48Å
1805	Y	65.8	Low	77.4	Confident	165.2 Å²	165.2	59 Å²	59	65%	0.648	32%	0.315	S	S	*	.			trans	-111.4	119.1	168.5	-65.7	-90.1	0	0	0	107.7	S1803 P1807 I1871	S1803-Y1805 WeakPolarHBondContact O-CD2 3.34Å; S1803-Y1805 PolarHBondContact O-N 2.82Å; Y1805-P1807 VanDerWaalsContact O-CD 3.26Å; Y1805-P1807 WeakPolarHBondContact O-CD 3.23Å; Y1805-I1871 HydrophobicContact CE1-CB 4.42Å
1806	A	65.2	Low	78.3	Confident	33.6 Å²	33.6	56.2 Å²	56.2	28%	0.278	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-65.8	125.6	177	0	0	0	0	0	110.1	L1794 Y1804 M1866 M1868	L1794-A1806 HydrophobicContact CD1-CB 4.07Å; Y1804-A1806 HydrophobicContact CE1-CB 4Å; A1806-M1866 HydrophobicContact CB-CE 3.81Å; A1806-M1866 HydrophobicContact CB-SD 4.39Å; A1806-M1868 HydrophobicContact CB-CG 4.43Å; A1806-M1868 HydrophobicContact CB-SD 4.11Å; A1806-M1868 WeakPolarHBondContact O-CG 3.43Å
1807	P	66.3	Low	79.2	Confident	41.8 Å²	41.8	54.4 Å²	54.4	27%	0.271	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-66.8	158.4	173.9	27.8	-32.7	0	0	0	110.8	Y1714 D1715 D1716 Y1804 Y1805 C1809	Y1714-P1807 VanDerWaalsContact O-CB 3.28Å; Y1714-P1807 WeakPolarHBondContact O-CB 3.41Å; D1715-P1807 HydrophobicContact CB-CB 4.03Å; D1716-P1807 HydrophobicContact CB-CG 4.41Å; D1716-P1807 WeakPolarHBondContact OD2-CG 3.38Å; Y1804-P1807 WeakPolarHBondContact OH-CD 3.48Å; Y1805-P1807 VanDerWaalsContact O-CD 3.26Å; Y1805-P1807 WeakPolarHBondContact O-CD 3.23Å; P1807-C1809 VanDerWaalsContact C-N 3.33Å; P1807-C1809 PolarHBondContact O-N 3.22Å
1808	A	70.6	Confident	79.8	Confident	33.6 Å²	33.6	54.8 Å²	54.8	28%	0.278	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	120.8	170	0	0	0	0	0	108.8	Y1714 D1715 D1716 M1866 M1868	Y1714-A1808 WeakPolarHBondContact CA-O 3.24Å; Y1714-A1808 HydrophobicContact CD1-CB 3.84Å; Y1714-A1808 HydrophobicContact CE1-CB 4.11Å; Y1714-A1808 HydrophobicContact CG-CB 4.24Å; D1715-A1808 CarbonylContact C-O 3.55Å; D1715-A1808 VanDerWaalsContact CA-O 3.24Å; D1715-A1808 WeakPolarHBondContact CA-O 3.44Å; D1715-A1808 HydrophobicContact CB-CB 4.49Å; D1715-A1808 PolarHBondContact N-O 3.33Å; D1715-A1808 VanDerWaalsContact N-O 3.07Å; D1716-A1808 PolarHBondContact N-O 3.16Å; A1808-M1866 WeakPolarHBondContact CA-O 3.46Å; A1808-M1868 HydrophobicContact CB-CB 4.36Å
1809	C	75.5	Confident	80.4	Confident	26.4 Å²	26.4	53.8 Å²	53.8	18%	0.178	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130	-169.7	179.6	0	0	0	0	111.5	D1716 P1807 M1866	D1716-C1809 CarbonylContact O-C 3.56Å; D1716-C1809 WeakPolarHBondContact O-CA 3.29Å; P1807-C1809 VanDerWaalsContact C-N 3.33Å; P1807-C1809 PolarHBondContact O-N 3.22Å; C1809-M1866 HydrophobicContact CB-CB 4.25Å; C1809-M1866 HydrophobicContact CB-CE 4.28Å; C1809-M1866 PolarHBondContact N-O 3.35Å; C1809-M1866 VanDerWaalsContact N-O 3.14Å; C1809-M1866 PolarHBondContact O-N 3.18Å
1810	L	82.4	Confident	80.9	Confident	63 Å²	63	49.7 Å²	49.7	33%	0.33	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	110.6	169.2	-81.3	162.9	0	0	0	108.6	D1716 E1717 F1718 A1865	D1716-L1810 PolarHBondContact O-N 3.02Å; E1717-L1810 WeakPolarHBondContact CA-O 3.38Å; E1717-L1810 HydrophobicContact CB-CB 4.45Å; E1717-L1810 HydrophobicContact CG-CB 4.31Å; F1718-L1810 PolarHBondContact N-O 3.21Å; L1810-A1865 HydrophobicContact CD1-CB 4.23Å; L1810-A1865 HydrophobicContact CD2-CB 3.78Å
1811	F	86	Confident	81.4	Confident	63.4 Å²	63.4	47.1 Å²	47.1	28%	0.278	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	112.4	-177.9	-174.3	-124.2	0	0	0	110	F1718 L1720 Q1813 T1864	F1718-F1811 HydrophobicContact CB-CB 4.44Å; F1718-F1811 HydrophobicContact CB-CD2 3.59Å; F1718-F1811 HydrophobicContact CB-CE2 4.05Å; F1718-F1811 HydrophobicContact CB-CG 4.4Å; F1718-F1811 HydrophobicContact CD2-CD2 4.25Å; F1718-F1811 HydrophobicContact CG-CD2 4.18Å; F1718-F1811 HydrophobicContact CG-CE2 4.28Å; F1718-F1811 WeakPolarHBondContact O-CA 3.05Å; L1720-F1811 HydrophobicContact CB-CE2 3.69Å; L1720-F1811 HydrophobicContact CB-CZ 4.29Å; L1720-F1811 HydrophobicContact CD2-CE1 4.5Å; L1720-F1811 HydrophobicContact CD2-CE2 4.2Å; L1720-F1811 HydrophobicContact CD2-CZ 3.97Å; F1811-Q1813 HydrophobicContact CD1-CG 4.01Å; F1811-Q1813 HydrophobicContact CD2-CG 4.16Å; F1811-Q1813 HydrophobicContact CE1-CB 3.74Å; F1811-Q1813 VanDerWaalsContact CE1-CD 3.48Å; F1811-Q1813 HydrophobicContact CE1-CG 3.66Å; F1811-Q1813 HydrophobicContact CE2-CG 3.79Å; F1811-Q1813 HydrophobicContact CG-CG 4.37Å; F1811-Q1813 HydrophobicContact CZ-CB 4.12Å; F1811-Q1813 HydrophobicContact CZ-CG 3.9Å; F1811-T1864 WeakPolarHBondContact CB-OG1 3.43Å; F1811-T1864 PolarHBondContact N-O 2.88Å; F1811-T1864 VanDerWaalsContact N-O 3.14Å; F1811-T1864 PolarHBondContact O-N 3.09Å; F1811-T1864 PolarHBondContact O-OG1 3Å; F1811-T1864 VanDerWaalsContact O-OG1 3.1Å
1812	S	88.8	Confident	82	Confident	18 Å²	18	45.4 Å²	45.4	13%	0.126	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.2	176.7	-167.1	0	0	0	0	109.4	F1718 I1719 L1720 H1814 V1862 N1863	F1718-S1812 PolarHBondContact O-N 3.14Å; I1719-S1812 CarbonylContact C-O 3.42Å; I1719-S1812 WeakPolarHBondContact CA-O 3.43Å; L1720-S1812 PolarHBondContact N-O 3.28Å; S1812-H1814 PolarHBondContact OG-CE1 3.36Å; S1812-H1814 VanDerWaalsContact OG-CE1 3.24Å; S1812-H1814 PolarHBondContact OG-NE2 3.02Å; S1812-V1862 CarbonylContact C-O 3.57Å; S1812-V1862 WeakPolarHBondContact CA-O 3.46Å; S1812-N1863 WeakPolarHBondContact CB-OD1 3.43Å; S1812-N1863 PolarHBondContact OG-OD1 3.05Å
1813	Q	91.6	Very high	82.7	Confident	44.6 Å²	44.6	41.8 Å²	41.8	21%	0.208	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.6	178.9	-69.8	174.3	40.9	0	0	109.9	L1720 F1811 L1815 T1861 V1862	L1720-Q1813 HydrophobicContact CB-CG 4.47Å; L1720-Q1813 HydrophobicContact CD2-CG 4.42Å; L1720-Q1813 CarbonylContact O-C 3.53Å; L1720-Q1813 VanDerWaalsContact O-CA 3.29Å; L1720-Q1813 WeakPolarHBondContact O-CA 3.34Å; F1811-Q1813 HydrophobicContact CD1-CG 4.01Å; F1811-Q1813 HydrophobicContact CD2-CG 4.16Å; F1811-Q1813 HydrophobicContact CE1-CB 3.74Å; F1811-Q1813 VanDerWaalsContact CE1-CD 3.48Å; F1811-Q1813 HydrophobicContact CE1-CG 3.66Å; F1811-Q1813 HydrophobicContact CE2-CG 3.79Å; F1811-Q1813 HydrophobicContact CG-CG 4.37Å; F1811-Q1813 HydrophobicContact CZ-CB 4.12Å; F1811-Q1813 HydrophobicContact CZ-CG 3.9Å; Q1813-L1815 HydrophobicContact CB-CD2 4.26Å; Q1813-L1815 HydrophobicContact CG-CD2 3.85Å; Q1813-L1815 HydrophobicContact CG-CG 4.31Å; Q1813-T1861 CarbonylContact O-C 3.57Å; Q1813-T1861 VanDerWaalsContact O-CA 3.25Å; Q1813-T1861 WeakPolarHBondContact O-CA 3.39Å; Q1813-V1862 HydrophobicContact CB-CB 4.24Å; Q1813-V1862 PolarHBondContact N-O 2.95Å; Q1813-V1862 PolarHBondContact O-N 3.1Å
1814	H	92.6	Very high	83.1	Confident	25 Å²	25	39.9 Å²	39.9	12%	0.116	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	99.1	174.5	-56	-82.6	0	0	0	109.1	Y1312 L1720 T1721 L1722 S1812 I1860 T1861	Y1312-H1814 AromaticContact CD2-CD2 3.94Å; Y1312-H1814 AromaticContact CD2-NE2 3.47Å; Y1312-H1814 WeakPolarHBondContact CD2-NE2 3.35Å; Y1312-H1814 WeakPolarHBondContact O-CB 3.31Å; L1720-H1814 PolarHBondContact O-N 3.28Å; T1721-H1814 CarbonylContact C-O 3.53Å; T1721-H1814 WeakPolarHBondContact CA-O 3.43Å; T1721-H1814 HydrophobicContact CG2-CB 4.24Å; L1722-H1814 PolarHBondContact N-O 2.99Å; S1812-H1814 PolarHBondContact OG-CE1 3.36Å; S1812-H1814 VanDerWaalsContact OG-CE1 3.24Å; S1812-H1814 PolarHBondContact OG-NE2 3.02Å; H1814-I1860 CarbonylContact C-O 3.57Å; H1814-I1860 WeakPolarHBondContact CA-O 3.41Å; H1814-T1861 VanDerWaalsContact CE1-CG2 3.42Å; H1814-T1861 WeakPolarHBondContact CE1-CG2 3.35Å; H1814-T1861 VanDerWaalsContact ND1-CG2 3.34Å; H1814-T1861 WeakPolarHBondContact ND1-CG2 3.35Å; H1814-T1861 PolarHBondContact ND1-OG1 3.28Å
1815	L	93.4	Very high	83.3	Confident	33.2 Å²	33.2	37.2 Å²	37.2	17%	0.174	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.8	179.1	-47.3	178.6	0	0	0	108.9	L1722 Q1813 F1817 S1859 I1860	L1722-L1815 HydrophobicContact CB-CD2 4Å; L1722-L1815 HydrophobicContact CD1-CD2 4.21Å; L1722-L1815 HydrophobicContact CD2-CD2 4.36Å; L1722-L1815 HydrophobicContact CG-CD2 4.28Å; L1722-L1815 CarbonylContact O-C 3.51Å; Q1813-L1815 HydrophobicContact CB-CD2 4.26Å; Q1813-L1815 HydrophobicContact CG-CD2 3.85Å; Q1813-L1815 HydrophobicContact CG-CG 4.31Å; L1815-F1817 HydrophobicContact CB-CD2 4.37Å; L1815-F1817 HydrophobicContact CB-CE2 3.74Å; L1815-F1817 HydrophobicContact CB-CZ 4.13Å; L1815-F1817 HydrophobicContact CD1-CE2 4.34Å; L1815-F1817 HydrophobicContact CD1-CZ 4.34Å; L1815-S1859 CarbonylContact O-C 3.5Å; L1815-S1859 VanDerWaalsContact O-CA 3.23Å; L1815-S1859 WeakPolarHBondContact O-CA 3.33Å; L1815-I1860 HydrophobicContact CB-CB 4.28Å; L1815-I1860 HydrophobicContact CD1-CB 4.39Å; L1815-I1860 HydrophobicContact CD1-CD1 4.48Å; L1815-I1860 HydrophobicContact CG-CB 4.49Å; L1815-I1860 PolarHBondContact N-O 3.17Å; L1815-I1860 PolarHBondContact O-N 3.07Å
1816	H	93	Very high	83.3	Confident	23 Å²	23	30.6 Å²	30.6	11%	0.106	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.1	178.1	-95.7	-76.8	0	0	0	110.2	Y1312 Y1313 L1722 R1723 I1724 E1818 S1859	Y1312-H1816 PolarHBondContact O-NE2 3.01Å; Y1312-H1816 VanDerWaalsContact O-NE2 3.14Å; Y1313-H1816 HydrophobicContact CD1-CB 4.49Å; Y1313-H1816 AromaticContact CD1-CD2 3.81Å; Y1313-H1816 AromaticContact CD1-CE1 3.84Å; Y1313-H1816 AromaticContact CD1-CG 3.75Å; Y1313-H1816 AromaticContact CD1-ND1 3.78Å; Y1313-H1816 AromaticContact CD1-NE2 3.86Å; Y1313-H1816 AromaticContact CD2-CE1 3.94Å; Y1313-H1816 AromaticContact CD2-NE2 3.94Å; Y1313-H1816 HydrophobicContact CE1-CB 4.42Å; Y1313-H1816 AromaticContact CE1-CD2 3.99Å; Y1313-H1816 AromaticContact CE1-CE1 3.42Å; Y1313-H1816 VanDerWaalsContact CE1-CE1 3.45Å; Y1313-H1816 WeakPolarHBondContact CE1-CE1 3.5Å; Y1313-H1816 AromaticContact CE1-CG 3.63Å; Y1313-H1816 AromaticContact CE1-ND1 3.21Å; Y1313-H1816 WeakPolarHBondContact CE1-ND1 3.3Å; Y1313-H1816 AromaticContact CE1-NE2 3.93Å; Y1313-H1816 AromaticContact CE2-CE1 3.55Å; Y1313-H1816 AromaticContact CE2-NE2 3.91Å; Y1313-H1816 AromaticContact CG-NE2 3.86Å; Y1313-H1816 AromaticContact CZ-CE1 3.23Å; Y1313-H1816 AromaticContact CZ-ND1 3.43Å; Y1313-H1816 AromaticContact CZ-NE2 3.88Å; L1722-H1816 WeakPolarHBondContact O-CB 3.39Å; L1722-H1816 PolarHBondContact O-CD2 2.88Å; L1722-H1816 PolarHBondContact O-N 3.03Å; R1723-H1816 CarbonylContact C-O 3.52Å; R1723-H1816 VanDerWaalsContact CA-O 3.27Å; R1723-H1816 WeakPolarHBondContact CA-O 3.33Å; R1723-H1816 HydrophobicContact CB-CB 4.29Å; R1723-H1816 HydrophobicContact CG-CB 4.3Å; I1724-H1816 PolarHBondContact N-O 2.99Å; H1816-E1818 VanDerWaalsContact CE1-CG 3.42Å; H1816-E1818 WeakPolarHBondContact CE1-CG 3.4Å; H1816-E1818 IonicContact CE1-OE1 3.49Å; H1816-E1818 PolarHBondContact CE1-OE1 3.33Å; H1816-E1818 VanDerWaalsContact CE1-OE1 3.24Å; H1816-E1818 IonicContact ND1-OE1 3.06Å; H1816-E1818 PolarHBondContact ND1-OE1 2.87Å; H1816-E1818 VanDerWaalsContact ND1-OE1 3.12Å; H1816-E1818 IonicContact ND1-OE2 3.6Å; H1816-S1859 PolarHBondContact CD2-OG 3.03Å; H1816-S1859 VanDerWaalsContact CD2-OG 3.31Å; H1816-S1859 VanDerWaalsContact ND1-CB 3.26Å; H1816-S1859 WeakPolarHBondContact ND1-CB 3.36Å; H1816-S1859 PolarHBondContact ND1-OG 2.96Å; H1816-S1859 PolarHBondContact NE2-OG 3.26Å; H1816-S1859 VanDerWaalsContact NE2-OG 3.15Å
1817	F	92.3	Very high	82.8	Confident	43.4 Å²	43.4	30.1 Å²	30.1	19%	0.19	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.2	-178.7	-60.2	-79.5	0	0	0	107.9	I1724 L1815 L1820 S1857 A1858 I1860	I1724-F1817 HydrophobicContact CB-CD1 4.11Å; I1724-F1817 HydrophobicContact CB-CE1 4.43Å; I1724-F1817 HydrophobicContact CD1-CE1 4.19Å; I1724-F1817 HydrophobicContact CG1-CD1 4.5Å; I1724-F1817 HydrophobicContact CG1-CE1 4.46Å; I1724-F1817 HydrophobicContact CG2-CD1 4.46Å; I1724-F1817 CarbonylContact O-C 3.48Å; I1724-F1817 VanDerWaalsContact O-CA 3.31Å; I1724-F1817 WeakPolarHBondContact O-CA 3.33Å; L1815-F1817 HydrophobicContact CB-CD2 4.37Å; L1815-F1817 HydrophobicContact CB-CE2 3.74Å; L1815-F1817 HydrophobicContact CB-CZ 4.13Å; L1815-F1817 HydrophobicContact CD1-CE2 4.34Å; L1815-F1817 HydrophobicContact CD1-CZ 4.34Å; F1817-L1820 HydrophobicContact CB-CB 4.27Å; F1817-L1820 HydrophobicContact CB-CD1 3.59Å; F1817-L1820 HydrophobicContact CB-CD2 4.31Å; F1817-L1820 HydrophobicContact CB-CG 3.88Å; F1817-L1820 HydrophobicContact CD1-CD1 3.74Å; F1817-L1820 HydrophobicContact CD1-CD2 4.35Å; F1817-L1820 HydrophobicContact CD1-CG 4.43Å; F1817-L1820 HydrophobicContact CG-CD1 3.86Å; F1817-L1820 HydrophobicContact CG-CD2 4.35Å; F1817-S1857 CarbonylContact O-C 3.56Å; F1817-S1857 VanDerWaalsContact O-CA 3.24Å; F1817-S1857 WeakPolarHBondContact O-CA 3.41Å; F1817-A1858 HydrophobicContact CB-CB 4.28Å; F1817-A1858 HydrophobicContact CD2-CB 4.45Å; F1817-A1858 PolarHBondContact N-O 3.02Å; F1817-A1858 PolarHBondContact O-N 3.16Å; F1817-I1860 HydrophobicContact CE2-CD1 4.04Å; F1817-I1860 HydrophobicContact CE2-CG1 4.37Å
1818	E	90.4	Very high	82.2	Confident	24 Å²	24	32.1 Å²	32.1	11%	0.112	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143	179.2	-67.7	172.9	-177.3	0	0	108.8	R1723 I1724 Q1725 D1726 H1816 L1820 E1856 K2429	R1723-E1818 WeakPolarHBondContact CD-OE2 3.32Å; R1723-E1818 IonicContact CZ-OE1 3.62Å; R1723-E1818 IonicContact CZ-OE2 2.91Å; R1723-E1818 VanDerWaalsContact NE-CD 3.3Å; R1723-E1818 IonicContact NE-OE1 3.07Å; R1723-E1818 PolarHBondContact NE-OE1 2.9Å; R1723-E1818 IonicContact NE-OE2 3.1Å; R1723-E1818 PolarHBondContact NE-OE2 3.15Å; R1723-E1818 IonicContact NH1-OE2 3.48Å; R1723-E1818 IonicContact NH2-OE1 3.53Å; R1723-E1818 IonicContact NH2-OE2 3.1Å; R1723-E1818 PolarHBondContact NH2-OE2 3.22Å; I1724-E1818 PolarHBondContact O-N 3.37Å; Q1725-E1818 VanDerWaalsContact CA-O 3.25Å; Q1725-E1818 WeakPolarHBondContact CA-O 3.36Å; Q1725-E1818 HydrophobicContact CB-CB 4.02Å; D1726-E1818 PolarHBondContact N-O 3.03Å; H1816-E1818 VanDerWaalsContact CE1-CG 3.42Å; H1816-E1818 WeakPolarHBondContact CE1-CG 3.4Å; H1816-E1818 IonicContact CE1-OE1 3.49Å; H1816-E1818 PolarHBondContact CE1-OE1 3.33Å; H1816-E1818 VanDerWaalsContact CE1-OE1 3.24Å; H1816-E1818 IonicContact ND1-OE1 3.06Å; H1816-E1818 PolarHBondContact ND1-OE1 2.87Å; H1816-E1818 VanDerWaalsContact ND1-OE1 3.12Å; H1816-E1818 IonicContact ND1-OE2 3.6Å; E1818-L1820 VanDerWaalsContact C-N 3.3Å; E1818-L1820 PolarHBondContact O-N 3.14Å; E1818-L1820 VanDerWaalsContact O-N 3.16Å; E1818-E1856 CarbonylContact C-O 3.54Å; E1818-E1856 WeakPolarHBondContact CA-O 3.39Å; E1818-K2429 WeakPolarHBondContact OE1-CE 3.26Å; E1818-K2429 IonicContact OE1-NZ 2.77Å; E1818-K2429 PolarHBondContact OE1-NZ 3.07Å
1819	H	89.4	Confident	81.1	Confident	19.8 Å²	19.8	33.5 Å²	33.5	9%	0.092	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.8	42.7	178.1	-48.8	142.9	0	0	0	114.1	W1667 Y1674 H1679 D1726 V1727 E1856	W1667-H1819 HydrophobicContact CB-CB 3.93Å; W1667-H1819 AromaticContact CD1-CD2 3.8Å; W1667-H1819 HydrophobicContact CD2-CB 3.73Å; W1667-H1819 AromaticContact CD2-CD2 3.82Å; W1667-H1819 AromaticContact CD2-CG 3.98Å; W1667-H1819 VanDerWaalsContact CE2-CA 3.5Å; W1667-H1819 AromaticContact CE2-CD2 3.91Å; W1667-H1819 VanDerWaalsContact CE3-C 3.49Å; W1667-H1819 VanDerWaalsContact CE3-CA 3.41Å; W1667-H1819 HydrophobicContact CE3-CB 3.98Å; W1667-H1819 AromaticContact CE3-CD2 3.9Å; W1667-H1819 HydrophobicContact CG-CB 3.87Å; W1667-H1819 AromaticContact CG-CD2 3.63Å; W1667-H1819 AromaticContact CG-CG 3.78Å; W1667-H1819 HydrophobicContact CZ2-CB 4.44Å; W1667-H1819 HydrophobicContact CZ3-CB 4.17Å; W1667-H1819 WeakPolarHBondContact CZ3-O 3.33Å; W1667-H1819 AromaticContact NE1-CD2 3.82Å; W1667-H1819 PolarHBondContact NE1-O 3.04Å; Y1674-H1819 AromaticContact CD1-CD2 3.9Å; Y1674-H1819 AromaticContact CD1-NE2 3.65Å; Y1674-H1819 AromaticContact CE1-CD2 3.74Å; Y1674-H1819 AromaticContact CE1-CE1 3.92Å; Y1674-H1819 AromaticContact CE1-NE2 3.7Å; H1679-H1819 AromaticContact CE1-CE1 3.76Å; H1679-H1819 AromaticContact CE1-NE2 3.73Å; H1679-H1819 AromaticContact NE2-CE1 3.43Å; H1679-H1819 PolarHBondContact NE2-CE1 2.98Å; H1679-H1819 AromaticContact NE2-NE2 3.44Å; H1679-H1819 PolarHBondContact NE2-NE2 3.48Å; D1726-H1819 HydrophobicContact CB-CB 4.45Å; D1726-H1819 WeakPolarHBondContact OD1-CB 3.19Å; D1726-H1819 IonicContact OD1-CE1 3.16Å; D1726-H1819 IonicContact OD1-CG 3.25Å; D1726-H1819 IonicContact OD1-ND1 3.12Å; D1726-H1819 PolarHBondContact OD1-ND1 3.27Å; D1726-H1819 IonicContact OD2-CE1 3.08Å; D1726-H1819 IonicContact OD2-CG 3.55Å; D1726-H1819 IonicContact OD2-ND1 3.45Å; D1726-H1819 PolarHBondContact OD2-ND1 3.07Å; V1727-H1819 PolarHBondContact N-O 3.26Å; H1819-E1856 PolarHBondContact N-O 3.24Å
1820	L	90	Very high	79.7	Confident	40.6 Å²	40.6	38.3 Å²	38.3	21%	0.213	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.6	179.5	-90.2	-177.6	0	0	0	111.6	W1667 I1724 V1727 F1729 F1817 E1818 G1854 C1855	W1667-L1820 VanDerWaalsContact CH2-O 3.3Å; W1667-L1820 WeakPolarHBondContact CH2-O 3.38Å; W1667-L1820 WeakPolarHBondContact CZ3-O 3.32Å; I1724-L1820 HydrophobicContact CG2-CD2 4.13Å; V1727-L1820 HydrophobicContact CB-CD2 4.11Å; V1727-L1820 HydrophobicContact CG2-CD2 4.05Å; F1729-L1820 HydrophobicContact CE2-CD1 3.9Å; F1729-L1820 HydrophobicContact CE2-CD2 3.96Å; F1817-L1820 HydrophobicContact CB-CB 4.27Å; F1817-L1820 HydrophobicContact CB-CD1 3.59Å; F1817-L1820 HydrophobicContact CB-CD2 4.31Å; F1817-L1820 HydrophobicContact CB-CG 3.88Å; F1817-L1820 HydrophobicContact CD1-CD1 3.74Å; F1817-L1820 HydrophobicContact CD1-CD2 4.35Å; F1817-L1820 HydrophobicContact CD1-CG 4.43Å; F1817-L1820 HydrophobicContact CG-CD1 3.86Å; F1817-L1820 HydrophobicContact CG-CD2 4.35Å; E1818-L1820 VanDerWaalsContact C-N 3.3Å; E1818-L1820 PolarHBondContact O-N 3.14Å; E1818-L1820 VanDerWaalsContact O-N 3.16Å; L1820-G1854 CarbonylContact O-C 3.51Å; L1820-G1854 WeakPolarHBondContact O-CA 3.34Å; L1820-C1855 HydrophobicContact CB-CB 4.42Å; L1820-C1855 PolarHBondContact N-O 3.23Å; L1820-C1855 PolarHBondContact O-N 3.03Å
1821	T	89.6	Confident	77.8	Confident	3.8 Å²	3.8	40.7 Å²	40.7	2%	0.023	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.3	161.8	51.8	0	0	0	0	111.5	L1665 W1667 I1670 V1727 C1728 F1729 M1852 I1853	L1665-T1821 VanDerWaalsContact CD2-OG1 3.28Å; L1665-T1821 WeakPolarHBondContact CD2-OG1 3.39Å; W1667-T1821 HydrophobicContact CE3-CG2 4.31Å; W1667-T1821 HydrophobicContact CH2-CG2 3.69Å; W1667-T1821 HydrophobicContact CZ3-CG2 3.53Å; I1670-T1821 HydrophobicContact CD1-CG2 4.13Å; V1727-T1821 PolarHBondContact O-N 3.08Å; V1727-T1821 PolarHBondContact O-OG1 3.02Å; C1728-T1821 CarbonylContact C-O 3.54Å; C1728-T1821 WeakPolarHBondContact CA-O 3.22Å; C1728-T1821 VanDerWaalsContact CA-OG1 3.28Å; C1728-T1821 WeakPolarHBondContact CA-OG1 3.33Å; C1728-T1821 VanDerWaalsContact CB-OG1 3.29Å; C1728-T1821 WeakPolarHBondContact CB-OG1 3.33Å; C1728-T1821 PolarHBondContact SG-OG1 3.37Å; C1728-T1821 VanDerWaalsContact SG-OG1 3.36Å; F1729-T1821 PolarHBondContact N-O 3.02Å; T1821-M1852 HydrophobicContact CG2-CE 3.87Å; T1821-M1852 HydrophobicContact CG2-CG 4.38Å; T1821-M1852 HydrophobicContact CG2-SD 4Å; T1821-I1853 CarbonylContact C-O 3.52Å; T1821-I1853 VanDerWaalsContact CA-O 3.25Å; T1821-I1853 WeakPolarHBondContact CA-O 3.42Å; T1821-I1853 WeakPolarHBondContact CB-O 3.28Å
1822	A	88.7	Confident	75.7	Confident	28.4 Å²	28.4	40.4 Å²	40.4	24%	0.235	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	124.8	171.1	0	0	0	0	0	109.3	F1729 M1852 I1853	F1729-A1822 HydrophobicContact CB-CB 4.23Å; F1729-A1822 HydrophobicContact CD1-CB 4.45Å; F1729-A1822 CarbonylContact O-C 3.55Å; F1729-A1822 VanDerWaalsContact O-CA 3.25Å; F1729-A1822 WeakPolarHBondContact O-CA 3.45Å; A1822-M1852 CarbonylContact O-C 3.55Å; A1822-M1852 VanDerWaalsContact O-CA 3.3Å; A1822-M1852 WeakPolarHBondContact O-CA 3.22Å; A1822-I1853 HydrophobicContact CB-CB 4.45Å; A1822-I1853 PolarHBondContact N-O 3.17Å; A1822-I1853 PolarHBondContact O-N 3.17Å
1823	T	85.4	Confident	73.5	Confident	2.8 Å²	2.8	44.5 Å²	44.5	2%	0.017	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.6	-175.8	61.9	0	0	0	0	111.3	C1728 F1729 V1730 Y1731 H1850 F1851 M1852 F1932 W1935 L1936	C1728-T1823 PolarHBondContact SG-OG1 3Å; F1729-T1823 PolarHBondContact O-N 3.13Å; F1729-T1823 PolarHBondContact O-OG1 3.22Å; V1730-T1823 HydrophobicContact CB-CG2 4.37Å; V1730-T1823 HydrophobicContact CG1-CG2 4.18Å; V1730-T1823 HydrophobicContact CG2-CG2 4.05Å; Y1731-T1823 CarbonylContact C-O 3.43Å; Y1731-T1823 WeakPolarHBondContact CA-O 3.21Å; Y1731-T1823 WeakPolarHBondContact CB-O 3.16Å; Y1731-T1823 PolarHBondContact N-O 2.97Å; T1823-H1850 WeakPolarHBondContact CB-NE2 3.07Å; T1823-H1850 PolarHBondContact OG1-CD2 2.82Å; T1823-H1850 PolarHBondContact OG1-NE2 2.92Å; T1823-F1851 CarbonylContact C-O 3.54Å; T1823-F1851 VanDerWaalsContact CA-O 3.29Å; T1823-F1851 WeakPolarHBondContact CA-O 3.33Å; T1823-F1851 PolarHBondContact OG1-O 2.75Å; T1823-M1852 HydrophobicContact CG2-CB 4.1Å; T1823-M1852 HydrophobicContact CG2-CG 3.8Å; T1823-M1852 HydrophobicContact CG2-SD 4.19Å; T1823-F1932 HydrophobicContact CG2-CE2 4.23Å; T1823-F1932 HydrophobicContact CG2-CZ 4.05Å; T1823-W1935 HydrophobicContact CG2-CH2 4.07Å; T1823-W1935 HydrophobicContact CG2-CZ3 4.41Å; T1823-L1936 HydrophobicContact CG2-CD2 4.38Å
1824	F	80.3	Confident	70.9	Confident	25.6 Å²	25.6	46.7 Å²	46.7	11%	0.112	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	152.7	175.6	63.1	-88.2	0	0	0	112.5	Y1731 M1826 H1850 F1851 I1853 F2028	Y1731-F1824 HydrophobicContact CD1-CB 4.1Å; Y1731-F1824 VanDerWaalsContact O-CA 3.25Å; Y1731-F1824 WeakPolarHBondContact O-CA 3.38Å; Y1731-F1824 VanDerWaalsContact O-CB 3.24Å; Y1731-F1824 WeakPolarHBondContact O-CB 3.4Å; F1824-M1826 HydrophobicContact CD2-CE 3.87Å; F1824-M1826 HydrophobicContact CE2-CE 3.81Å; F1824-H1850 PolarHBondContact N-NE2 2.84Å; F1824-H1850 WeakPolarHBondContact O-CA 3.31Å; F1824-H1850 PolarHBondContact O-ND1 3.39Å; F1824-F1851 HydrophobicContact CD1-CB 3.98Å; F1824-F1851 HydrophobicContact CD2-CB 3.95Å; F1824-F1851 HydrophobicContact CD2-CD2 4.22Å; F1824-F1851 HydrophobicContact CD2-CG 4.24Å; F1824-F1851 HydrophobicContact CE1-CB 3.55Å; F1824-F1851 VanDerWaalsContact CE1-CB 3.49Å; F1824-F1851 HydrophobicContact CE1-CD1 4.35Å; F1824-F1851 HydrophobicContact CE1-CG 4.24Å; F1824-F1851 HydrophobicContact CE2-CB 3.52Å; F1824-F1851 VanDerWaalsContact CE2-CB 3.46Å; F1824-F1851 AromaticContact CE2-CD1 3.72Å; F1824-F1851 HydrophobicContact CE2-CD1 4.07Å; F1824-F1851 AromaticContact CE2-CD2 3.69Å; F1824-F1851 HydrophobicContact CE2-CD2 3.69Å; F1824-F1851 VanDerWaalsContact CE2-CD2 3.5Å; F1824-F1851 HydrophobicContact CE2-CE1 4.25Å; F1824-F1851 HydrophobicContact CE2-CE2 4.23Å; F1824-F1851 AromaticContact CE2-CG 3.5Å; F1824-F1851 HydrophobicContact CE2-CG 3.5Å; F1824-F1851 VanDerWaalsContact CE2-CG 3.41Å; F1824-F1851 HydrophobicContact CE2-CZ 4.4Å; F1824-F1851 HydrophobicContact CG-CB 4.16Å; F1824-F1851 HydrophobicContact CZ-CB 3.3Å; F1824-F1851 VanDerWaalsContact CZ-CB 3.41Å; F1824-F1851 AromaticContact CZ-CD1 3.81Å; F1824-F1851 HydrophobicContact CZ-CD1 3.81Å; F1824-F1851 VanDerWaalsContact CZ-CD1 3.43Å; F1824-F1851 HydrophobicContact CZ-CD2 4.21Å; F1824-F1851 HydrophobicContact CZ-CE1 4.21Å; F1824-F1851 AromaticContact CZ-CG 3.54Å; F1824-F1851 HydrophobicContact CZ-CG 3.54Å; F1824-F1851 VanDerWaalsContact CZ-CG 3.49Å; F1824-F1851 PolarHBondContact N-O 3.18Å; F1824-F1851 PolarHBondContact O-N 3.31Å; F1824-I1853 HydrophobicContact CE1-CD1 4.16Å; F1824-I1853 HydrophobicContact CE1-CG1 4.23Å; F1824-F2028 HydrophobicContact CD2-CE2 4.47Å; F1824-F2028 AromaticContact CE1-CE2 3.93Å; F1824-F2028 HydrophobicContact CE1-CE2 3.93Å; F1824-F2028 HydrophobicContact CE1-CZ 4.07Å; F1824-F2028 AromaticContact CE2-CD2 3.8Å; F1824-F2028 HydrophobicContact CE2-CD2 3.8Å; F1824-F2028 AromaticContact CE2-CE2 3.52Å; F1824-F2028 HydrophobicContact CE2-CE2 3.65Å; F1824-F2028 VanDerWaalsContact CE2-CE2 3.42Å; F1824-F2028 HydrophobicContact CE2-CZ 4.25Å; F1824-F2028 AromaticContact CZ-CD2 3.6Å; F1824-F2028 HydrophobicContact CZ-CD2 3.96Å; F1824-F2028 HydrophobicContact CZ-CE1 4.33Å; F1824-F2028 AromaticContact CZ-CE2 3.46Å; F1824-F2028 HydrophobicContact CZ-CE2 3.46Å; F1824-F2028 VanDerWaalsContact CZ-CE2 3.4Å; F1824-F2028 HydrophobicContact CZ-CG 4.42Å; F1824-F2028 AromaticContact CZ-CZ 3.52Å; F1824-F2028 HydrophobicContact CZ-CZ 3.87Å; F1824-F2028 VanDerWaalsContact CZ-CZ 3.49Å
1825	S	71.4	Confident	68.2	Low	21.6 Å²	21.6	49.4 Å²	49.4	15%	0.151	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.4	174.4	-74.5	0	0	0	0	110.9	W1732 P1733 P1827 V1848 L1849 H1850	W1732-S1825 VanDerWaalsContact CH2-CB 3.44Å; W1732-S1825 VanDerWaalsContact CZ3-CB 3.47Å; W1732-S1825 WeakPolarHBondContact CZ3-OG 3.25Å; P1733-S1825 WeakPolarHBondContact CD-O 3.4Å; P1733-S1825 VanDerWaalsContact CG-O 3.3Å; P1733-S1825 WeakPolarHBondContact CG-O 3.32Å; S1825-P1827 WeakPolarHBondContact O-CD 3.35Å; S1825-V1848 VanDerWaalsContact OG-CG1 3.26Å; S1825-V1848 WeakPolarHBondContact OG-CG1 3.39Å; S1825-L1849 WeakPolarHBondContact CA-O 3.24Å; S1825-H1850 PolarHBondContact N-CE1 2.79Å; S1825-H1850 PolarHBondContact N-ND1 2.89Å; S1825-H1850 PolarHBondContact OG-CD2 2.94Å; S1825-H1850 PolarHBondContact OG-CE1 2.85Å; S1825-H1850 PolarHBondContact OG-ND1 2.84Å
1826	M	65.2	Low	65.5	Low	27.2 Å²	27.2	52.4 Å²	52.4	13%	0.134	27%	0.273	C	S	.	.			trans	-66.6	129.2	167.8	-79.3	-70.9	118.6	0	0	110.8	F1824 Y1828 F1832 L1849 F1851 F2028 L2031	F1824-M1826 HydrophobicContact CD2-CE 3.87Å; F1824-M1826 HydrophobicContact CE2-CE 3.81Å; M1826-Y1828 PolarHBondContact O-N 3.18Å; M1826-Y1828 VanDerWaalsContact O-N 3.1Å; M1826-F1832 HydrophobicContact CG-CE2 4.16Å; M1826-F1832 HydrophobicContact SD-CE2 4.31Å; M1826-L1849 HydrophobicContact CG-CB 4.34Å; M1826-L1849 PolarHBondContact N-O 3.01Å; M1826-L1849 VanDerWaalsContact N-O 3.12Å; M1826-F1851 HydrophobicContact CE-CD2 3.89Å; M1826-F1851 HydrophobicContact CE-CE2 4.15Å; M1826-F1851 HydrophobicContact CE-CZ 4.28Å; M1826-F1851 HydrophobicContact CG-CD2 4.3Å; M1826-F1851 HydrophobicContact CG-CE2 3.7Å; M1826-F1851 HydrophobicContact CG-CZ 4.31Å; M1826-F1851 HydrophobicContact SD-CE2 4.15Å; M1826-F2028 HydrophobicContact CE-CB 4Å; M1826-F2028 HydrophobicContact CE-CD2 3.73Å; M1826-F2028 VanDerWaalsContact CE-CD2 3.49Å; M1826-F2028 HydrophobicContact CE-CE2 3.88Å; M1826-F2028 HydrophobicContact SD-CD2 4.08Å; M1826-L2031 HydrophobicContact CE-CB 3.91Å; M1826-L2031 HydrophobicContact CE-CD2 3.66Å; M1826-L2031 HydrophobicContact CE-CG 4.33Å; M1826-L2031 HydrophobicContact SD-CD1 4.37Å; M1826-L2031 HydrophobicContact SD-CD2 3.76Å
1827	P	54.9	Low	62.7	Low	22.6 Å²	22.6	58.6 Å²	58.6	15%	0.147	31%	0.307	C	S	.	.	S	Bend	trans	-71.5	27.2	-178.2	26.2	-31.7	0	0	0	113	P1733 L1734 S1825 Y1831 L2031	P1733-P1827 HydrophobicContact CB-CB 4.06Å; P1733-P1827 HydrophobicContact CB-CG 4.32Å; P1733-P1827 HydrophobicContact CG-CB 4.43Å; P1733-P1827 HydrophobicContact CG-CG 4.36Å; L1734-P1827 HydrophobicContact CD1-CB 3.86Å; S1825-P1827 WeakPolarHBondContact O-CD 3.35Å; P1827-Y1831 HydrophobicContact CG-CD2 4.41Å; P1827-Y1831 HydrophobicContact CG-CE2 4.28Å; P1827-Y1831 VanDerWaalsContact O-CD2 3.25Å; P1827-Y1831 WeakPolarHBondContact O-CD2 3.19Å; P1827-L2031 HydrophobicContact CG-CD1 4.31Å; P1827-L2031 HydrophobicContact CG-CD2 4.08Å
1828	Y	54.3	Low	60.1	Low	84.2 Å²	84.2	63.8 Å²	63.8	33%	0.33	33%	0.329	S	S	.	.			trans	-145.6	114.6	-178.4	-57	-74	0	0	0	114.3	L1737 W1741 M1826 E1830 Y1831 L1915 L2031	L1737-Y1828 HydrophobicContact CD1-CE2 4.17Å; L1737-Y1828 WeakPolarHBondContact CD1-OH 3.24Å; W1741-Y1828 HydrophobicContact CZ2-CE1 4.45Å; M1826-Y1828 PolarHBondContact O-N 3.18Å; M1826-Y1828 VanDerWaalsContact O-N 3.1Å; Y1828-E1830 VanDerWaalsContact C-N 3.28Å; Y1828-E1830 PolarHBondContact O-N 3.13Å; Y1828-Y1831 VanDerWaalsContact CB-CD2 3.47Å; Y1828-Y1831 HydrophobicContact CD1-CD2 4.41Å; Y1828-Y1831 HydrophobicContact CD1-CE2 4.26Å; Y1828-Y1831 AromaticContact CD2-CD2 3.71Å; Y1828-Y1831 HydrophobicContact CD2-CD2 4.11Å; Y1828-Y1831 AromaticContact CD2-CE2 3.67Å; Y1828-Y1831 HydrophobicContact CD2-CE2 3.67Å; Y1828-Y1831 HydrophobicContact CE1-CE2 4.49Å; Y1828-Y1831 AromaticContact CE2-CE2 3.95Å; Y1828-Y1831 HydrophobicContact CE2-CE2 3.95Å; Y1828-Y1831 AromaticContact CG-CD2 3.65Å; Y1828-Y1831 HydrophobicContact CG-CD2 4.17Å; Y1828-Y1831 AromaticContact CG-CE2 3.66Å; Y1828-Y1831 HydrophobicContact CG-CE2 3.84Å; Y1828-Y1831 PolarHBondContact O-N 3.14Å; Y1828-L1915 HydrophobicContact CD1-CD2 4.4Å; Y1828-L1915 HydrophobicContact CE1-CD2 3.67Å; Y1828-L1915 HydrophobicContact CE2-CD2 4.2Å; Y1828-L2031 HydrophobicContact CD2-CD1 4.4Å; Y1828-L2031 HydrophobicContact CD2-CD2 3.92Å; Y1828-L2031 HydrophobicContact CE2-CD1 4.17Å; Y1828-L2031 HydrophobicContact CE2-CD2 4.1Å
1829	P	48.5	Very low	57.3	Low	62 Å²	62	69.3 Å²	69.3	40%	0.403	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-68.7	-18.4	171.1	19.8	-22.1	0	0	0	113.3	Y1831 F1832 M1846 V1848	P1829-Y1831 VanDerWaalsContact C-N 3.26Å; P1829-Y1831 PolarHBondContact O-N 3.25Å; P1829-F1832 WeakPolarHBondContact O-CB 3.44Å; P1829-F1832 WeakPolarHBondContact O-CD2 3.42Å; P1829-F1832 PolarHBondContact O-N 2.97Å; P1829-F1832 VanDerWaalsContact O-N 3.12Å; P1829-M1846 HydrophobicContact CB-CB 4.5Å; P1829-V1848 HydrophobicContact CB-CG2 4.04Å; P1829-V1848 HydrophobicContact CG-CG2 4.43Å
1830	E	44.7	Very low	54.7	Low	128 Å²	128	73.1 Å²	73.1	60%	0.598	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-68.1	-25.2	-175.3	-62.2	178.6	178.7	0	0	113.6	Y1828 F1832 I1833	Y1828-E1830 VanDerWaalsContact C-N 3.28Å; Y1828-E1830 PolarHBondContact O-N 3.13Å; E1830-F1832 PolarHBondContact O-N 2.98Å; E1830-F1832 VanDerWaalsContact O-N 3.16Å; E1830-I1833 WeakPolarHBondContact O-CB 3.23Å; E1830-I1833 WeakPolarHBondContact O-CG1 3.43Å; E1830-I1833 PolarHBondContact O-N 2.81Å
1831	Y	43.4	Very low	52	Low	112.8 Å²	112.8	77 Å²	77	44%	0.442	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-70	-7.1	176.4	-82.4	-77.9	0	0	0	114.4	P1827 Y1828 P1829 I1833 L1834 S2714	P1827-Y1831 HydrophobicContact CG-CD2 4.41Å; P1827-Y1831 HydrophobicContact CG-CE2 4.28Å; P1827-Y1831 VanDerWaalsContact O-CD2 3.25Å; P1827-Y1831 WeakPolarHBondContact O-CD2 3.19Å; Y1828-Y1831 VanDerWaalsContact CB-CD2 3.47Å; Y1828-Y1831 HydrophobicContact CD1-CD2 4.41Å; Y1828-Y1831 HydrophobicContact CD1-CE2 4.26Å; Y1828-Y1831 AromaticContact CD2-CD2 3.71Å; Y1828-Y1831 HydrophobicContact CD2-CD2 4.11Å; Y1828-Y1831 AromaticContact CD2-CE2 3.67Å; Y1828-Y1831 HydrophobicContact CD2-CE2 3.67Å; Y1828-Y1831 HydrophobicContact CE1-CE2 4.49Å; Y1828-Y1831 AromaticContact CE2-CE2 3.95Å; Y1828-Y1831 HydrophobicContact CE2-CE2 3.95Å; Y1828-Y1831 AromaticContact CG-CD2 3.65Å; Y1828-Y1831 HydrophobicContact CG-CD2 4.17Å; Y1828-Y1831 AromaticContact CG-CE2 3.66Å; Y1828-Y1831 HydrophobicContact CG-CE2 3.84Å; Y1828-Y1831 PolarHBondContact O-N 3.14Å; P1829-Y1831 VanDerWaalsContact C-N 3.26Å; P1829-Y1831 PolarHBondContact O-N 3.25Å; Y1831-I1833 VanDerWaalsContact C-N 3.27Å; Y1831-L1834 HydrophobicContact CD1-CD1 4.14Å; Y1831-L1834 HydrophobicContact CE1-CD1 4.37Å; Y1831-S2714 WeakPolarHBondContact O-CB 3.29Å
1832	F	42.5	Very low	49.3	Very low	58.8 Å²	58.8	80.7 Å²	80.7	26%	0.258	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-100.6	11.4	177.5	-74.4	-80.3	0	0	0	113.7	M1826 P1829 E1830 L1834 M1846 L1849 V2023 I2024 K2027 L2031	M1826-F1832 HydrophobicContact CG-CE2 4.16Å; M1826-F1832 HydrophobicContact SD-CE2 4.31Å; P1829-F1832 WeakPolarHBondContact O-CB 3.44Å; P1829-F1832 WeakPolarHBondContact O-CD2 3.42Å; P1829-F1832 PolarHBondContact O-N 2.97Å; P1829-F1832 VanDerWaalsContact O-N 3.12Å; E1830-F1832 PolarHBondContact O-N 2.98Å; E1830-F1832 VanDerWaalsContact O-N 3.16Å; F1832-L1834 VanDerWaalsContact C-N 3.34Å; F1832-L1834 PolarHBondContact O-N 3.09Å; F1832-M1846 HydrophobicContact CB-CB 3.86Å; F1832-M1846 HydrophobicContact CB-CE 3.77Å; F1832-M1846 HydrophobicContact CB-CG 4.37Å; F1832-M1846 HydrophobicContact CB-SD 4.06Å; F1832-M1846 HydrophobicContact CD1-CE 3.36Å; F1832-M1846 HydrophobicContact CD1-SD 4.08Å; F1832-M1846 HydrophobicContact CD2-CE 4.11Å; F1832-M1846 HydrophobicContact CD2-SD 3.75Å; F1832-M1846 HydrophobicContact CE1-CE 3.9Å; F1832-M1846 HydrophobicContact CE2-CE 3.94Å; F1832-M1846 HydrophobicContact CE2-SD 4.22Å; F1832-M1846 HydrophobicContact CG-CE 3.49Å; F1832-M1846 VanDerWaalsContact CG-CE 3.49Å; F1832-M1846 HydrophobicContact CG-SD 3.98Å; F1832-M1846 HydrophobicContact CZ-CE 4.37Å; F1832-M1846 WeakPolarHBondContact O-CB 3.39Å; F1832-M1846 WeakPolarHBondContact O-CG 3.37Å; F1832-M1846 PolarHBondContact O-N 2.88Å; F1832-L1849 HydrophobicContact CD1-CD1 4.27Å; F1832-L1849 HydrophobicContact CD2-CD1 4.33Å; F1832-L1849 HydrophobicContact CE2-CD1 4.17Å; F1832-L1849 HydrophobicContact CG-CD1 4.36Å; F1832-L1849 HydrophobicContact CZ-CD1 4.18Å; F1832-V2023 HydrophobicContact CE1-CG1 4.26Å; F1832-I2024 HydrophobicContact CD1-CG1 4.33Å; F1832-I2024 HydrophobicContact CE1-CB 4.44Å; F1832-I2024 HydrophobicContact CE1-CG1 4.2Å; F1832-I2024 HydrophobicContact CZ-CG1 3.95Å; F1832-K2027 HydrophobicContact CE1-CB 3.41Å; F1832-K2027 VanDerWaalsContact CE1-CB 3.41Å; F1832-K2027 HydrophobicContact CE1-CG 4.04Å; F1832-K2027 HydrophobicContact CE2-CB 4.5Å; F1832-K2027 HydrophobicContact CZ-CB 3.94Å; F1832-K2027 HydrophobicContact CZ-CG 4.38Å; F1832-L2031 HydrophobicContact CE2-CD1 4.39Å
1833	I	40.9	Very low	46.5	Very low	102.6 Å²	102.6	87.2 Å²	87.2	53%	0.526	48%	0.476	S	S	.	.			trans	-87	59.5	175.8	-54.2	177	0	0	0	110.2	E1830 Y1831 S1835 E2717	E1830-I1833 WeakPolarHBondContact O-CB 3.23Å; E1830-I1833 WeakPolarHBondContact O-CG1 3.43Å; E1830-I1833 PolarHBondContact O-N 2.81Å; Y1831-I1833 VanDerWaalsContact C-N 3.27Å; I1833-S1835 PolarHBondContact O-N 3.09Å; I1833-E2717 VanDerWaalsContact CB-OE2 3.31Å; I1833-E2717 WeakPolarHBondContact CB-OE2 3.42Å; I1833-E2717 WeakPolarHBondContact CD1-OE2 3.3Å; I1833-E2717 VanDerWaalsContact CG2-OE2 3.29Å; I1833-E2717 WeakPolarHBondContact CG2-OE2 3.45Å
1834	L	37.8	Very low	44.1	Very low	91 Å²	91	95 Å²	95	48%	0.476	51%	0.506	S	S	.	.			trans	-71.2	90.8	175.1	-84.3	130.3	0	0	0	111.7	Y1831 F1832 T1836 M1846 V2023 L2347 L2710	Y1831-L1834 HydrophobicContact CD1-CD1 4.14Å; Y1831-L1834 HydrophobicContact CE1-CD1 4.37Å; F1832-L1834 VanDerWaalsContact C-N 3.34Å; F1832-L1834 PolarHBondContact O-N 3.09Å; L1834-T1836 PolarHBondContact O-N 3.05Å; L1834-T1836 PolarHBondContact O-OG1 2.86Å; L1834-M1846 HydrophobicContact CB-SD 4.24Å; L1834-M1846 HydrophobicContact CD1-SD 4.06Å; L1834-V2023 HydrophobicContact CD2-CG1 4.43Å; L1834-L2347 HydrophobicContact CD1-CD1 4.23Å; L1834-L2347 HydrophobicContact CD2-CD2 4.16Å; L1834-L2710 HydrophobicContact CD2-CD2 4.26Å
1835	S	36.6	Very low	42.4	Very low	83 Å²	83	101.8 Å²	101.8	58%	0.58	54%	0.538	S	S	*	.			trans	-72	81.4	174.3	-170.7	0	0	0	0	113.2	I1833 N1837 E2717	I1833-S1835 PolarHBondContact O-N 3.09Å; S1835-N1837 PolarHBondContact O-N 2.84Å; S1835-E2717 WeakPolarHBondContact CB-OE1 3.49Å
1836	T	35.5	Very low	41	Very low	94.6 Å²	94.6	104.1 Å²	104.1	58%	0.58	55%	0.547	S	S	*	.			trans	-119.2	119.5	160.8	53.4	0	0	0	0	110	L1834 K1838 L2347	L1834-T1836 PolarHBondContact O-N 3.05Å; L1834-T1836 PolarHBondContact O-OG1 2.86Å; T1836-K1838 PolarHBondContact O-N 2.9Å; T1836-L2347 HydrophobicContact CG2-CD2 3.77Å
1837	N	35.2	Very low	40.4	Very low	152.8 Å²	152.8	104.5 Å²	104.5	82%	0.817	55%	0.552	S	S	*	*	S	Bend	trans	-68.8	66.8	-179.5	-76.3	-19.6	0	0	0	113.1	S1835	S1835-N1837 PolarHBondContact O-N 2.84Å
1838	K	37.5	Very low	40.8	Very low	153.8 Å²	153.8	104.8 Å²	104.8	67%	0.669	55%	0.554	S	S	*	*			trans	-144.9	121.3	167.7	-83.3	-178.4	-179.4	175.6	0	109.7	T1836 T1840	T1836-K1838 PolarHBondContact O-N 2.9Å; K1838-T1840 VanDerWaalsContact C-N 3.25Å; K1838-T1840 HydrophobicContact CB-CG2 4.39Å; K1838-T1840 PolarHBondContact O-N 3.02Å
1839	P	31.5	Very low	41.6	Very low	139.6 Å²	139.6	101.6 Å²	101.6	91%	0.906	54%	0.542	S	S	*	.			trans	-77.7	65	175.7	33.4	-35.4	0	0	0	110.8	S1841	P1839-S1841 PolarHBondContact O-N 3.36Å
1840	T	35	Very low	43	Very low	99 Å²	99	98.9 Å²	98.9	61%	0.607	52%	0.524	S	S	*	.			trans	-103.6	101.8	172.7	47.4	0	0	0	0	110.1	K1838 V1842	K1838-T1840 VanDerWaalsContact C-N 3.25Å; K1838-T1840 HydrophobicContact CB-CG2 4.39Å; K1838-T1840 PolarHBondContact O-N 3.02Å; T1840-V1842 VanDerWaalsContact C-N 3.32Å; T1840-V1842 PolarHBondContact O-N 2.94Å
1841	S	33.9	Very low	44.9	Very low	122.4 Å²	122.4	93 Å²	93	86%	0.856	50%	0.496	S	S	*	.			trans	-27.2	74.8	166.5	59.5	0	0	0	0	114.5	P1839	P1839-S1841 PolarHBondContact O-N 3.36Å
1842	V	31.4	Very low	47	Very low	82.6 Å²	82.6	87.7 Å²	87.7	50%	0.501	48%	0.476	S	S	.	.			trans	-127.1	112.6	162.2	-174.1	0	0	0	0	108.3	T1840 Y1844	T1840-V1842 VanDerWaalsContact C-N 3.32Å; T1840-V1842 PolarHBondContact O-N 2.94Å; V1842-Y1844 VanDerWaalsContact C-N 3.31Å; V1842-Y1844 HydrophobicContact CB-CD2 3.99Å; V1842-Y1844 HydrophobicContact CB-CE2 3.75Å; V1842-Y1844 HydrophobicContact CG1-CD1 4.35Å; V1842-Y1844 HydrophobicContact CG1-CD2 3.66Å; V1842-Y1844 HydrophobicContact CG1-CE1 4.12Å; V1842-Y1844 HydrophobicContact CG1-CE2 3.4Å; V1842-Y1844 VanDerWaalsContact CG1-CE2 3.42Å; V1842-Y1844 HydrophobicContact CG1-CG 4.19Å; V1842-Y1844 HydrophobicContact CG2-CE2 4.37Å; V1842-Y1844 PolarHBondContact O-N 2.97Å
1843	N	30.9	Very low	49.2	Very low	164.4 Å²	164.4	87.1 Å²	87.1	88%	0.879	48%	0.475	S	S	*	.			trans	-75.2	82	175.4	-91.7	2.9	0	0	0	110	Q1845	N1843-Q1845 VanDerWaalsContact C-N 3.3Å; N1843-Q1845 PolarHBondContact O-N 3Å; N1843-Q1845 VanDerWaalsContact O-N 3.11Å
1844	Y	34.9	Very low	51.5	Low	165.6 Å²	165.6	82.3 Å²	82.3	65%	0.649	45%	0.45	S	S	*	.			trans	-73.9	86.2	170.7	-75.6	-73.5	0	0	0	110	V1842 M1846	V1842-Y1844 VanDerWaalsContact C-N 3.31Å; V1842-Y1844 HydrophobicContact CB-CD2 3.99Å; V1842-Y1844 HydrophobicContact CB-CE2 3.75Å; V1842-Y1844 HydrophobicContact CG1-CD1 4.35Å; V1842-Y1844 HydrophobicContact CG1-CD2 3.66Å; V1842-Y1844 HydrophobicContact CG1-CE1 4.12Å; V1842-Y1844 HydrophobicContact CG1-CE2 3.4Å; V1842-Y1844 VanDerWaalsContact CG1-CE2 3.42Å; V1842-Y1844 HydrophobicContact CG1-CG 4.19Å; V1842-Y1844 HydrophobicContact CG2-CE2 4.37Å; V1842-Y1844 PolarHBondContact O-N 2.97Å; Y1844-M1846 PolarHBondContact O-N 3.13Å; Y1844-M1846 VanDerWaalsContact O-N 3.12Å
1845	Q	43.7	Very low	54.1	Low	168.4 Å²	168.4	78.5 Å²	78.5	79%	0.787	43%	0.431	S	S	*	.			trans	-66	83.3	163.4	-114.1	-179.1	-17.1	0	0	109.2	N1843 P1847	N1843-Q1845 VanDerWaalsContact C-N 3.3Å; N1843-Q1845 PolarHBondContact O-N 3Å; N1843-Q1845 VanDerWaalsContact O-N 3.11Å; Q1845-P1847 WeakPolarHBondContact O-CD 3.47Å
1846	M	42.6	Very low	56.6	Low	70.2 Å²	70.2	75.1 Å²	75.1	35%	0.346	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-67.2	132.6	174.8	-138.8	128.4	83.8	0	0	109	P1829 F1832 L1834 Y1844 V1848 L1849 I2024	P1829-M1846 HydrophobicContact CB-CB 4.5Å; F1832-M1846 HydrophobicContact CB-CB 3.86Å; F1832-M1846 HydrophobicContact CB-CE 3.77Å; F1832-M1846 HydrophobicContact CB-CG 4.37Å; F1832-M1846 HydrophobicContact CB-SD 4.06Å; F1832-M1846 HydrophobicContact CD1-CE 3.36Å; F1832-M1846 HydrophobicContact CD1-SD 4.08Å; F1832-M1846 HydrophobicContact CD2-CE 4.11Å; F1832-M1846 HydrophobicContact CD2-SD 3.75Å; F1832-M1846 HydrophobicContact CE1-CE 3.9Å; F1832-M1846 HydrophobicContact CE2-CE 3.94Å; F1832-M1846 HydrophobicContact CE2-SD 4.22Å; F1832-M1846 HydrophobicContact CG-CE 3.49Å; F1832-M1846 VanDerWaalsContact CG-CE 3.49Å; F1832-M1846 HydrophobicContact CG-SD 3.98Å; F1832-M1846 HydrophobicContact CZ-CE 4.37Å; F1832-M1846 WeakPolarHBondContact O-CB 3.39Å; F1832-M1846 WeakPolarHBondContact O-CG 3.37Å; F1832-M1846 PolarHBondContact O-N 2.88Å; L1834-M1846 HydrophobicContact CB-SD 4.24Å; L1834-M1846 HydrophobicContact CD1-SD 4.06Å; Y1844-M1846 PolarHBondContact O-N 3.13Å; Y1844-M1846 VanDerWaalsContact O-N 3.12Å; M1846-V1848 PolarHBondContact O-N 3.11Å; M1846-L1849 HydrophobicContact CE-CD1 3.9Å; M1846-L1849 HydrophobicContact CE-CD2 4.15Å; M1846-L1849 HydrophobicContact CE-CG 4.08Å; M1846-I2024 HydrophobicContact CE-CD1 4.27Å
1847	P	53	Low	59.2	Low	36 Å²	36	71.2 Å²	71.2	23%	0.234	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-59.2	146.4	173.5	23	-31.8	0	0	0	110.8	Q1845 L1849 P1904 F1905 K1906	Q1845-P1847 WeakPolarHBondContact O-CD 3.47Å; P1847-L1849 PolarHBondContact O-N 3.16Å; P1847-L1849 VanDerWaalsContact O-N 3.13Å; P1847-P1904 VanDerWaalsContact CB-C 3.43Å; P1847-P1904 HydrophobicContact CB-CB 4.14Å; P1847-P1904 HydrophobicContact CG-CB 3.69Å; P1847-P1904 VanDerWaalsContact CG-CB 3.43Å; P1847-F1905 CarbonylContact C-O 3.5Å; P1847-F1905 WeakPolarHBondContact CA-O 3.29Å; P1847-F1905 VanDerWaalsContact CB-O 3.24Å; P1847-F1905 WeakPolarHBondContact CB-O 3.41Å; P1847-K1906 HydrophobicContact CB-CG 3.93Å; P1847-K1906 HydrophobicContact CG-CG 4.19Å
1848	V	63	Low	61.9	Low	29.6 Å²	29.6	64.5 Å²	64.5	18%	0.179	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	119.8	171.9	-179.9	0	0	0	0	107.5	W1732 S1825 P1829 M1846 H1850 F1905 F1907	W1732-V1848 HydrophobicContact CH2-CG1 4.31Å; S1825-V1848 VanDerWaalsContact OG-CG1 3.26Å; S1825-V1848 WeakPolarHBondContact OG-CG1 3.39Å; P1829-V1848 HydrophobicContact CB-CG2 4.04Å; P1829-V1848 HydrophobicContact CG-CG2 4.43Å; M1846-V1848 PolarHBondContact O-N 3.11Å; V1848-H1850 PolarHBondContact O-CD2 3.38Å; V1848-H1850 PolarHBondContact O-N 2.95Å; V1848-H1850 VanDerWaalsContact O-N 3.16Å; V1848-H1850 PolarHBondContact O-ND1 3.15Å; V1848-F1905 PolarHBondContact N-O 2.83Å; V1848-F1905 VanDerWaalsContact O-CB 3.26Å; V1848-F1905 WeakPolarHBondContact O-CB 3.37Å; V1848-F1905 PolarHBondContact O-N 2.96Å; V1848-F1905 VanDerWaalsContact O-N 3.16Å; V1848-F1907 HydrophobicContact CB-CD2 4.25Å; V1848-F1907 HydrophobicContact CB-CE2 4.04Å; V1848-F1907 HydrophobicContact CG1-CE2 4.31Å; V1848-F1907 HydrophobicContact CG2-CD2 3.8Å; V1848-F1907 HydrophobicContact CG2-CE2 3.88Å
1849	L	70.5	Confident	64.5	Low	15.6 Å²	15.6	58 Å²	58	8%	0.082	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	115	177.6	-65.5	172.5	0	0	0	108.8	S1825 M1826 F1832 M1846 P1847 F1851 V1902 I2024 L2346	S1825-L1849 WeakPolarHBondContact CA-O 3.24Å; M1826-L1849 HydrophobicContact CG-CB 4.34Å; M1826-L1849 PolarHBondContact N-O 3.01Å; M1826-L1849 VanDerWaalsContact N-O 3.12Å; F1832-L1849 HydrophobicContact CD1-CD1 4.27Å; F1832-L1849 HydrophobicContact CD2-CD1 4.33Å; F1832-L1849 HydrophobicContact CE2-CD1 4.17Å; F1832-L1849 HydrophobicContact CG-CD1 4.36Å; F1832-L1849 HydrophobicContact CZ-CD1 4.18Å; M1846-L1849 HydrophobicContact CE-CD1 3.9Å; M1846-L1849 HydrophobicContact CE-CD2 4.15Å; M1846-L1849 HydrophobicContact CE-CG 4.08Å; P1847-L1849 PolarHBondContact O-N 3.16Å; P1847-L1849 VanDerWaalsContact O-N 3.13Å; L1849-F1851 HydrophobicContact CB-CE2 4.13Å; L1849-V1902 HydrophobicContact CD2-CG1 4.06Å; L1849-I2024 HydrophobicContact CD1-CB 4.4Å; L1849-I2024 HydrophobicContact CD1-CD1 3.58Å; L1849-I2024 HydrophobicContact CD1-CG1 3.65Å; L1849-I2024 HydrophobicContact CD1-CG2 3.95Å; L1849-I2024 HydrophobicContact CD2-CD1 4.22Å; L1849-L2346 HydrophobicContact CD2-CD1 4.12Å
1850	H	78.1	Confident	67.4	Low	5.2 Å²	5.2	53.4 Å²	53.4	2%	0.024	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.4	171.4	-125.1	93.7	0	0	0	108.7	W1732 T1823 F1824 S1825 V1848 V1902 F1903 F1905 F1932 W1935	W1732-H1850 AromaticContact CH2-CE1 3.76Å; W1732-H1850 AromaticContact CH2-NE2 3.63Å; W1732-H1850 AromaticContact CZ3-CE1 3.51Å; W1732-H1850 AromaticContact CZ3-NE2 3.86Å; T1823-H1850 WeakPolarHBondContact CB-NE2 3.07Å; T1823-H1850 PolarHBondContact OG1-CD2 2.82Å; T1823-H1850 PolarHBondContact OG1-NE2 2.92Å; F1824-H1850 PolarHBondContact N-NE2 2.84Å; F1824-H1850 WeakPolarHBondContact O-CA 3.31Å; F1824-H1850 PolarHBondContact O-ND1 3.39Å; S1825-H1850 PolarHBondContact N-CE1 2.79Å; S1825-H1850 PolarHBondContact N-ND1 2.89Å; S1825-H1850 PolarHBondContact OG-CD2 2.94Å; S1825-H1850 PolarHBondContact OG-CE1 2.85Å; S1825-H1850 PolarHBondContact OG-ND1 2.84Å; V1848-H1850 PolarHBondContact O-CD2 3.38Å; V1848-H1850 PolarHBondContact O-N 2.95Å; V1848-H1850 VanDerWaalsContact O-N 3.16Å; V1848-H1850 PolarHBondContact O-ND1 3.15Å; H1850-V1902 WeakPolarHBondContact O-CA 3.37Å; H1850-F1903 HydrophobicContact CB-CB 4.48Å; H1850-F1903 HydrophobicContact CB-CD2 4.05Å; H1850-F1903 HydrophobicContact CB-CE1 4.24Å; H1850-F1903 HydrophobicContact CB-CE2 3.11Å; H1850-F1903 HydrophobicContact CB-CG 4.49Å; H1850-F1903 HydrophobicContact CB-CZ 3.42Å; H1850-F1903 VanDerWaalsContact CB-CZ 3.42Å; H1850-F1903 AromaticContact CG-CE2 3.91Å; H1850-F1903 PolarHBondContact N-O 2.83Å; H1850-F1903 VanDerWaalsContact N-O 3.14Å; H1850-F1903 WeakPolarHBondContact O-CD2 3.46Å; H1850-F1903 PolarHBondContact O-N 2.99Å; H1850-F1905 HydrophobicContact CB-CB 4.3Å; H1850-F1905 HydrophobicContact CB-CD2 4.24Å; H1850-F1905 VanDerWaalsContact CD2-CB 3.48Å; H1850-F1905 WeakPolarHBondContact CD2-CB 3.45Å; H1850-F1905 AromaticContact CE1-CD1 3.49Å; H1850-F1905 VanDerWaalsContact CE1-CD1 3.49Å; H1850-F1905 WeakPolarHBondContact CE1-CD1 3.43Å; H1850-F1905 AromaticContact CE1-CG 3.63Å; H1850-F1905 WeakPolarHBondContact NE2-CB 3.33Å; H1850-F1905 AromaticContact NE2-CD1 3.56Å; H1850-F1905 AromaticContact NE2-CG 3.77Å; H1850-F1932 AromaticContact CE1-CE2 3.84Å; H1850-F1932 AromaticContact NE2-CE2 3.97Å; H1850-W1935 HydrophobicContact CB-CH2 3.89Å; H1850-W1935 HydrophobicContact CB-CZ2 4.36Å; H1850-W1935 AromaticContact CD2-CH2 3.34Å; H1850-W1935 WeakPolarHBondContact CD2-CH2 3.22Å; H1850-W1935 AromaticContact CD2-CZ2 3.83Å; H1850-W1935 AromaticContact CD2-CZ3 3.82Å; H1850-W1935 AromaticContact CG-CH2 3.97Å; H1850-W1935 AromaticContact NE2-CH2 3.57Å; H1850-W1935 AromaticContact NE2-CZ3 3.67Å
1851	F	84.4	Confident	70.1	Confident	4.2 Å²	4.2	49.3 Å²	49.3	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.3	179.8	-70	-111.4	0	0	0	108.7	T1823 F1824 M1826 L1849 I1900 F1901 V1902 I1947 I2024 F2028	T1823-F1851 CarbonylContact C-O 3.54Å; T1823-F1851 VanDerWaalsContact CA-O 3.29Å; T1823-F1851 WeakPolarHBondContact CA-O 3.33Å; T1823-F1851 PolarHBondContact OG1-O 2.75Å; F1824-F1851 HydrophobicContact CD1-CB 3.98Å; F1824-F1851 HydrophobicContact CD2-CB 3.95Å; F1824-F1851 HydrophobicContact CD2-CD2 4.22Å; F1824-F1851 HydrophobicContact CD2-CG 4.24Å; F1824-F1851 HydrophobicContact CE1-CB 3.55Å; F1824-F1851 VanDerWaalsContact CE1-CB 3.49Å; F1824-F1851 HydrophobicContact CE1-CD1 4.35Å; F1824-F1851 HydrophobicContact CE1-CG 4.24Å; F1824-F1851 HydrophobicContact CE2-CB 3.52Å; F1824-F1851 VanDerWaalsContact CE2-CB 3.46Å; F1824-F1851 AromaticContact CE2-CD1 3.72Å; F1824-F1851 HydrophobicContact CE2-CD1 4.07Å; F1824-F1851 AromaticContact CE2-CD2 3.69Å; F1824-F1851 HydrophobicContact CE2-CD2 3.69Å; F1824-F1851 VanDerWaalsContact CE2-CD2 3.5Å; F1824-F1851 HydrophobicContact CE2-CE1 4.25Å; F1824-F1851 HydrophobicContact CE2-CE2 4.23Å; F1824-F1851 AromaticContact CE2-CG 3.5Å; F1824-F1851 HydrophobicContact CE2-CG 3.5Å; F1824-F1851 VanDerWaalsContact CE2-CG 3.41Å; F1824-F1851 HydrophobicContact CE2-CZ 4.4Å; F1824-F1851 HydrophobicContact CG-CB 4.16Å; F1824-F1851 HydrophobicContact CZ-CB 3.3Å; F1824-F1851 VanDerWaalsContact CZ-CB 3.41Å; F1824-F1851 AromaticContact CZ-CD1 3.81Å; F1824-F1851 HydrophobicContact CZ-CD1 3.81Å; F1824-F1851 VanDerWaalsContact CZ-CD1 3.43Å; F1824-F1851 HydrophobicContact CZ-CD2 4.21Å; F1824-F1851 HydrophobicContact CZ-CE1 4.21Å; F1824-F1851 AromaticContact CZ-CG 3.54Å; F1824-F1851 HydrophobicContact CZ-CG 3.54Å; F1824-F1851 VanDerWaalsContact CZ-CG 3.49Å; F1824-F1851 PolarHBondContact N-O 3.18Å; F1824-F1851 PolarHBondContact O-N 3.31Å; M1826-F1851 HydrophobicContact CE-CD2 3.89Å; M1826-F1851 HydrophobicContact CE-CE2 4.15Å; M1826-F1851 HydrophobicContact CE-CZ 4.28Å; M1826-F1851 HydrophobicContact CG-CD2 4.3Å; M1826-F1851 HydrophobicContact CG-CE2 3.7Å; M1826-F1851 HydrophobicContact CG-CZ 4.31Å; M1826-F1851 HydrophobicContact SD-CE2 4.15Å; L1849-F1851 HydrophobicContact CB-CE2 4.13Å; F1851-I1900 HydrophobicContact CD1-CG2 4.4Å; F1851-F1901 CarbonylContact C-O 3.56Å; F1851-F1901 VanDerWaalsContact CA-O 3.25Å; F1851-F1901 WeakPolarHBondContact CA-O 3.39Å; F1851-V1902 HydrophobicContact CB-CG2 4.47Å; F1851-V1902 HydrophobicContact CD1-CG2 3.32Å; F1851-V1902 HydrophobicContact CD2-CG2 4.15Å; F1851-V1902 HydrophobicContact CE1-CG2 3.38Å; F1851-V1902 VanDerWaalsContact CE1-CG2 3.41Å; F1851-V1902 HydrophobicContact CE2-CG2 4.17Å; F1851-V1902 HydrophobicContact CG-CG2 3.74Å; F1851-V1902 HydrophobicContact CZ-CG2 3.82Å; F1851-I1947 HydrophobicContact CE1-CD1 4.47Å; F1851-I2024 HydrophobicContact CE1-CG2 3.93Å; F1851-I2024 HydrophobicContact CE2-CG2 4.47Å; F1851-I2024 HydrophobicContact CZ-CG2 3.75Å; F1851-F2028 HydrophobicContact CE1-CB 4.38Å; F1851-F2028 HydrophobicContact CE1-CD1 4.44Å; F1851-F2028 HydrophobicContact CE1-CD2 4.43Å; F1851-F2028 HydrophobicContact CE1-CG 4.25Å; F1851-F2028 HydrophobicContact CZ-CB 4.31Å; F1851-F2028 HydrophobicContact CZ-CD2 4.33Å; F1851-F2028 HydrophobicContact CZ-CG 4.21Å
1852	M	87	Confident	72.8	Confident	2.6 Å²	2.6	44.1 Å²	44.1	1%	0.013	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127	168.2	-171.8	179	94.6	0	0	109.3	L1665 I1670 Y1672 T1821 A1822 T1823 I1900 F1901 F1903 F1939 L1941	L1665-M1852 HydrophobicContact CD2-CE 4.36Å; I1670-M1852 HydrophobicContact CD1-CE 4.37Å; I1670-M1852 HydrophobicContact CG2-CE 4.4Å; Y1672-M1852 HydrophobicContact CD2-CE 4.28Å; Y1672-M1852 HydrophobicContact CE2-CE 4.31Å; T1821-M1852 HydrophobicContact CG2-CE 3.87Å; T1821-M1852 HydrophobicContact CG2-CG 4.38Å; T1821-M1852 HydrophobicContact CG2-SD 4Å; A1822-M1852 CarbonylContact O-C 3.55Å; A1822-M1852 VanDerWaalsContact O-CA 3.3Å; A1822-M1852 WeakPolarHBondContact O-CA 3.22Å; T1823-M1852 HydrophobicContact CG2-CB 4.1Å; T1823-M1852 HydrophobicContact CG2-CG 3.8Å; T1823-M1852 HydrophobicContact CG2-SD 4.19Å; M1852-I1900 WeakPolarHBondContact O-CA 3.44Å; M1852-F1901 HydrophobicContact CE-CD2 4.23Å; M1852-F1901 PolarHBondContact N-O 3.11Å; M1852-F1901 PolarHBondContact O-N 3.02Å; M1852-F1903 HydrophobicContact CB-CE1 3.76Å; M1852-F1903 HydrophobicContact CB-CE2 3.71Å; M1852-F1903 VanDerWaalsContact CB-CE2 3.48Å; M1852-F1903 HydrophobicContact CB-CZ 4.17Å; M1852-F1903 HydrophobicContact CE-CZ 4.47Å; M1852-F1903 HydrophobicContact SD-CZ 4.49Å; M1852-F1939 HydrophobicContact CE-CD1 4.3Å; M1852-F1939 HydrophobicContact CE-CE1 4.06Å; M1852-F1939 HydrophobicContact CE-CZ 3.9Å; M1852-F1939 HydrophobicContact SD-CD1 3.93Å; M1852-F1939 HydrophobicContact SD-CE1 3.76Å; M1852-F1939 WeakPolarHBondContact SD-CE1 3.4Å; M1852-F1939 HydrophobicContact SD-CE2 4.4Å; M1852-F1939 HydrophobicContact SD-CZ 3.7Å; M1852-F1939 VanDerWaalsContact SD-CZ 3.53Å; M1852-L1941 HydrophobicContact CE-CD1 3.87Å; M1852-L1941 HydrophobicContact CE-CD2 4.07Å; M1852-L1941 HydrophobicContact CE-CG 4.14Å
1853	I	90.1	Very high	75.4	Confident	46.6 Å²	46.6	43.1 Å²	43.1	24%	0.239	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.1	167.9	-51.5	-179.1	0	0	0	106.4	T1821 A1822 F1824 L1898 A1899 I1900	T1821-I1853 CarbonylContact C-O 3.52Å; T1821-I1853 VanDerWaalsContact CA-O 3.25Å; T1821-I1853 WeakPolarHBondContact CA-O 3.42Å; T1821-I1853 WeakPolarHBondContact CB-O 3.28Å; A1822-I1853 HydrophobicContact CB-CB 4.45Å; A1822-I1853 PolarHBondContact N-O 3.17Å; A1822-I1853 PolarHBondContact O-N 3.17Å; F1824-I1853 HydrophobicContact CE1-CD1 4.16Å; F1824-I1853 HydrophobicContact CE1-CG1 4.23Å; I1853-L1898 HydrophobicContact CG2-CD1 3.98Å; I1853-L1898 HydrophobicContact CG2-CD2 4.28Å; I1853-L1898 HydrophobicContact CG2-CG 4.11Å; I1853-A1899 CarbonylContact C-O 3.51Å; I1853-A1899 WeakPolarHBondContact CA-O 3.4Å; I1853-I1900 HydrophobicContact CD1-CD1 4.42Å; I1853-I1900 HydrophobicContact CG1-CD1 4.38Å; I1853-I1900 HydrophobicContact CG1-CG1 4.11Å; I1853-I1900 HydrophobicContact CG1-CG2 4.32Å; I1853-I1900 HydrophobicContact CG2-CG1 4.29Å
1854	G	89.9	Confident	77.8	Confident	0.2 Å²	0.2	36.3 Å²	36.3	0%	0.002	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146	167.9	0	0	0	0	0	110.5	Y1672 L1820 L1898 A1899	Y1672-G1854 PolarHBondContact OH-O 3.21Å; L1820-G1854 CarbonylContact O-C 3.51Å; L1820-G1854 WeakPolarHBondContact O-CA 3.34Å; G1854-L1898 CarbonylContact O-C 3.57Å; G1854-L1898 VanDerWaalsContact O-CA 3.26Å; G1854-L1898 WeakPolarHBondContact O-CA 3.37Å; G1854-A1899 PolarHBondContact N-O 3.16Å; G1854-A1899 PolarHBondContact O-N 3.12Å
1855	C	90.9	Very high	79.6	Confident	12.2 Å²	12.2	30 Å²	30	8%	0.082	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	121.3	177.7	-179.1	0	0	0	0	109.6	W1667 L1820 S1857 I1895 L1898	W1667-C1855 WeakPolarHBondContact CH2-O 3.1Å; W1667-C1855 WeakPolarHBondContact CZ2-O 3.44Å; L1820-C1855 HydrophobicContact CB-CB 4.42Å; L1820-C1855 PolarHBondContact N-O 3.23Å; L1820-C1855 PolarHBondContact O-N 3.03Å; C1855-S1857 PolarHBondContact SG-O 3.16Å; C1855-S1857 VanDerWaalsContact SG-O 3.41Å; C1855-I1895 VanDerWaalsContact SG-CG2 3.51Å; C1855-L1898 HydrophobicContact CB-CB 4.46Å; C1855-L1898 HydrophobicContact CB-CD1 4.18Å
1856	E	89.7	Confident	80.6	Confident	10.8 Å²	10.8	26.1 Å²	26.1	5%	0.05	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-44.9	-176.1	-175.7	173.4	174.5	0	0	112	W1667 G1675 S1676 H1679 E1818 H1819 N1896 N1897 R2482	W1667-E1856 VanDerWaalsContact CH2-CA 3.43Å; W1667-E1856 HydrophobicContact CH2-CB 3.8Å; W1667-E1856 HydrophobicContact CH2-CG 4.34Å; W1667-E1856 HydrophobicContact CZ2-CB 4.26Å; W1667-E1856 HydrophobicContact CZ3-CB 4.01Å; W1667-E1856 HydrophobicContact CZ3-CG 4.21Å; G1675-E1856 VanDerWaalsContact CA-OE1 3.32Å; G1675-E1856 WeakPolarHBondContact CA-OE1 3.33Å; G1675-E1856 WeakPolarHBondContact CA-OE2 3.07Å; G1675-E1856 VanDerWaalsContact N-CD 3.27Å; G1675-E1856 PolarHBondContact N-OE1 3.19Å; G1675-E1856 PolarHBondContact N-OE2 3.12Å; G1675-E1856 VanDerWaalsContact N-OE2 3.15Å; S1676-E1856 PolarHBondContact N-OE1 3.26Å; H1679-E1856 IonicContact CD2-OE1 2.68Å; H1679-E1856 PolarHBondContact CD2-OE1 3.48Å; E1818-E1856 CarbonylContact C-O 3.54Å; E1818-E1856 WeakPolarHBondContact CA-O 3.39Å; H1819-E1856 PolarHBondContact N-O 3.24Å; E1856-N1896 PolarHBondContact N-O 3.33Å; E1856-N1897 HydrophobicContact CB-CB 3.9Å; E1856-N1897 PolarHBondContact N-O 3.32Å; E1856-N1897 VanDerWaalsContact N-O 3.13Å; E1856-N1897 PolarHBondContact OE1-ND2 2.97Å; E1856-N1897 VanDerWaalsContact OE2-CB 3.31Å; E1856-N1897 WeakPolarHBondContact OE2-CB 3.08Å; E1856-N1897 PolarHBondContact OE2-ND2 3.05Å; E1856-R2482 IonicContact OE1-CZ 2.65Å; E1856-R2482 IonicContact OE1-NH1 2.74Å; E1856-R2482 IonicContact OE1-NH2 3.53Å; E1856-R2482 PolarHBondContact OE1-NH2 3.23Å; E1856-R2482 IonicContact OE2-CZ 3.31Å; E1856-R2482 VanDerWaalsContact OE2-CZ 3.23Å; E1856-R2482 IonicContact OE2-NH1 2.93Å; E1856-R2482 PolarHBondContact OE2-NH1 2.76Å; E1856-R2482 IonicContact OE2-NH2 3.25Å; E1856-R2482 PolarHBondContact OE2-NH2 2.79Å
1857	S	90.5	Very high	81.4	Confident	13.6 Å²	13.6	29.3 Å²	29.3	10%	0.095	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	139.6	167.8	56.3	0	0	0	0	112.3	L1678 F1817 C1855 N1896	L1678-S1857 WeakPolarHBondContact CD2-OG 3.42Å; F1817-S1857 CarbonylContact O-C 3.56Å; F1817-S1857 VanDerWaalsContact O-CA 3.24Å; F1817-S1857 WeakPolarHBondContact O-CA 3.41Å; C1855-S1857 PolarHBondContact SG-O 3.16Å; C1855-S1857 VanDerWaalsContact SG-O 3.41Å; S1857-N1896 PolarHBondContact N-O 3.48Å; S1857-N1896 PolarHBondContact O-N 3.13Å; S1857-N1896 WeakPolarHBondContact OG-CB 3.44Å; S1857-N1896 PolarHBondContact OG-ND2 3.23Å
1858	A	91.4	Very high	81.2	Confident	11.2 Å²	11.2	31.2 Å²	31.2	9%	0.093	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.3	167	0	0	0	0	0	109.9	F1817 F1894 I1895	F1817-A1858 HydrophobicContact CB-CB 4.28Å; F1817-A1858 HydrophobicContact CD2-CB 4.45Å; F1817-A1858 PolarHBondContact N-O 3.02Å; F1817-A1858 PolarHBondContact O-N 3.16Å; A1858-F1894 CarbonylContact C-O 3.55Å; A1858-F1894 VanDerWaalsContact CA-O 3.25Å; A1858-F1894 WeakPolarHBondContact CA-O 3.41Å; A1858-I1895 HydrophobicContact CB-CG1 4.07Å; A1858-I1895 HydrophobicContact CB-CG2 4.36Å
1859	S	92.1	Very high	80.4	Confident	17.4 Å²	17.4	33.6 Å²	33.6	12%	0.122	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.5	177.3	-16.8	0	0	0	0	109.7	Y1313 L1815 H1816 A1893 F1894	Y1313-S1859 PolarHBondContact OH-OG 2.85Å; L1815-S1859 CarbonylContact O-C 3.5Å; L1815-S1859 VanDerWaalsContact O-CA 3.23Å; L1815-S1859 WeakPolarHBondContact O-CA 3.33Å; H1816-S1859 PolarHBondContact CD2-OG 3.03Å; H1816-S1859 VanDerWaalsContact CD2-OG 3.31Å; H1816-S1859 VanDerWaalsContact ND1-CB 3.26Å; H1816-S1859 WeakPolarHBondContact ND1-CB 3.36Å; H1816-S1859 PolarHBondContact ND1-OG 2.96Å; H1816-S1859 PolarHBondContact NE2-OG 3.26Å; H1816-S1859 VanDerWaalsContact NE2-OG 3.15Å; S1859-A1893 CarbonylContact O-C 3.39Å; S1859-A1893 VanDerWaalsContact O-CA 3.28Å; S1859-A1893 WeakPolarHBondContact O-CA 3.42Å; S1859-F1894 PolarHBondContact N-O 3.05Å; S1859-F1894 PolarHBondContact O-N 3Å
1860	I	92.7	Very high	78.9	Confident	43.2 Å²	43.2	37.7 Å²	37.7	22%	0.222	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.6	-179.2	-48.8	-177.7	0	0	0	108.3	H1814 L1815 F1817 V1862 V1891 M1892 A1893	H1814-I1860 CarbonylContact C-O 3.57Å; H1814-I1860 WeakPolarHBondContact CA-O 3.41Å; L1815-I1860 HydrophobicContact CB-CB 4.28Å; L1815-I1860 HydrophobicContact CD1-CB 4.39Å; L1815-I1860 HydrophobicContact CD1-CD1 4.48Å; L1815-I1860 HydrophobicContact CG-CB 4.49Å; L1815-I1860 PolarHBondContact N-O 3.17Å; L1815-I1860 PolarHBondContact O-N 3.07Å; F1817-I1860 HydrophobicContact CE2-CD1 4.04Å; F1817-I1860 HydrophobicContact CE2-CG1 4.37Å; I1860-V1862 HydrophobicContact CG2-CG2 4.04Å; I1860-V1891 HydrophobicContact CG2-CG1 4.01Å; I1860-M1892 CarbonylContact C-O 3.57Å; I1860-M1892 VanDerWaalsContact CA-O 3.28Å; I1860-M1892 WeakPolarHBondContact CA-O 3.39Å; I1860-M1892 WeakPolarHBondContact CG2-O 3.27Å; I1860-A1893 HydrophobicContact CB-CB 4.42Å; I1860-A1893 HydrophobicContact CG1-CB 3.94Å; I1860-A1893 HydrophobicContact CG2-CB 4.29Å
1861	T	91.6	Very high	77	Confident	12.6 Å²	12.6	41.3 Å²	41.3	8%	0.077	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.7	171.7	-21.8	0	0	0	0	109.7	Q1813 H1814 N1863 V1891 M1892	Q1813-T1861 CarbonylContact O-C 3.57Å; Q1813-T1861 VanDerWaalsContact O-CA 3.25Å; Q1813-T1861 WeakPolarHBondContact O-CA 3.39Å; H1814-T1861 VanDerWaalsContact CE1-CG2 3.42Å; H1814-T1861 WeakPolarHBondContact CE1-CG2 3.35Å; H1814-T1861 VanDerWaalsContact ND1-CG2 3.34Å; H1814-T1861 WeakPolarHBondContact ND1-CG2 3.35Å; H1814-T1861 PolarHBondContact ND1-OG1 3.28Å; T1861-N1863 VanDerWaalsContact CG2-OD1 3.22Å; T1861-N1863 WeakPolarHBondContact CG2-OD1 3.34Å; T1861-V1891 CarbonylContact O-C 3.56Å; T1861-V1891 WeakPolarHBondContact O-CA 3.37Å; T1861-M1892 PolarHBondContact N-O 3.09Å; T1861-M1892 PolarHBondContact O-N 2.86Å; T1861-M1892 WeakPolarHBondContact OG1-CB 3.44Å
1862	V	89.6	Confident	74.4	Confident	13 Å²	13	45.3 Å²	45.3	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.5	178.1	-175.4	0	0	0	0	108.9	S1812 Q1813 I1860 T1864 M1889 L1890 V1891	S1812-V1862 CarbonylContact C-O 3.57Å; S1812-V1862 WeakPolarHBondContact CA-O 3.46Å; Q1813-V1862 HydrophobicContact CB-CB 4.24Å; Q1813-V1862 PolarHBondContact N-O 2.95Å; Q1813-V1862 PolarHBondContact O-N 3.1Å; I1860-V1862 HydrophobicContact CG2-CG2 4.04Å; V1862-T1864 HydrophobicContact CG1-CG2 3.87Å; V1862-M1889 HydrophobicContact CG1-CE 4.04Å; V1862-L1890 CarbonylContact C-O 3.54Å; V1862-L1890 WeakPolarHBondContact CA-O 3.27Å; V1862-V1891 HydrophobicContact CG1-CG2 4.15Å; V1862-V1891 HydrophobicContact CG2-CG1 4.22Å; V1862-V1891 HydrophobicContact CG2-CG2 4.19Å
1863	N	86.7	Confident	71.7	Confident	62 Å²	62	49.7 Å²	49.7	33%	0.332	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.4	174.6	-64.7	25	0	0	0	108.2	S1812 T1861 M1889 L1890	S1812-N1863 WeakPolarHBondContact CB-OD1 3.43Å; S1812-N1863 PolarHBondContact OG-OD1 3.05Å; T1861-N1863 VanDerWaalsContact CG2-OD1 3.22Å; T1861-N1863 WeakPolarHBondContact CG2-OD1 3.34Å; N1863-M1889 WeakPolarHBondContact O-CA 3.36Å; N1863-L1890 HydrophobicContact CB-CB 4.43Å; N1863-L1890 HydrophobicContact CB-CD2 4.45Å; N1863-L1890 PolarHBondContact N-O 3.14Å; N1863-L1890 PolarHBondContact O-N 3.2Å
1864	T	81.5	Confident	68.9	Low	22.8 Å²	22.8	52 Å²	52	14%	0.14	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.5	176.1	65.2	0	0	0	0	110.5	F1811 V1862 G1888 M1889	F1811-T1864 WeakPolarHBondContact CB-OG1 3.43Å; F1811-T1864 PolarHBondContact N-O 2.88Å; F1811-T1864 VanDerWaalsContact N-O 3.14Å; F1811-T1864 PolarHBondContact O-N 3.09Å; F1811-T1864 PolarHBondContact O-OG1 3Å; F1811-T1864 VanDerWaalsContact O-OG1 3.1Å; V1862-T1864 HydrophobicContact CG1-CG2 3.87Å; T1864-G1888 WeakPolarHBondContact CA-O 3.28Å; T1864-M1889 HydrophobicContact CG2-CB 4.4Å; T1864-M1889 HydrophobicContact CG2-CE 3.81Å; T1864-M1889 HydrophobicContact CG2-CG 3.87Å; T1864-M1889 HydrophobicContact CG2-SD 4.44Å
1865	A	73.1	Confident	66.2	Low	32.2 Å²	32.2	58.6 Å²	58.6	27%	0.266	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115	175.5	0	0	0	0	0	109.5	Y1714 L1810 E1867 P1887 G1888	Y1714-A1865 HydrophobicContact CE1-CB 4.44Å; L1810-A1865 HydrophobicContact CD1-CB 4.23Å; L1810-A1865 HydrophobicContact CD2-CB 3.78Å; A1865-E1867 PolarHBondContact O-N 2.79Å; A1865-P1887 WeakPolarHBondContact O-CA 3.45Å; A1865-P1887 VanDerWaalsContact O-CB 3.23Å; A1865-P1887 WeakPolarHBondContact O-CB 3.33Å; A1865-G1888 PolarHBondContact N-O 3.1Å; A1865-G1888 PolarHBondContact O-N 3.05Å; A1865-G1888 VanDerWaalsContact O-N 3.17Å
1866	M	65.1	Low	63.4	Low	87.6 Å²	87.6	64.5 Å²	64.5	43%	0.432	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	98.6	178.3	-168.3	129.5	70.8	0	0	109.7	A1806 A1808 C1809 M1868 P1887	A1806-M1866 HydrophobicContact CB-CE 3.81Å; A1806-M1866 HydrophobicContact CB-SD 4.39Å; A1808-M1866 WeakPolarHBondContact CA-O 3.46Å; C1809-M1866 HydrophobicContact CB-CB 4.25Å; C1809-M1866 HydrophobicContact CB-CE 4.28Å; C1809-M1866 PolarHBondContact N-O 3.35Å; C1809-M1866 VanDerWaalsContact N-O 3.14Å; C1809-M1866 PolarHBondContact O-N 3.18Å; M1866-M1868 PolarHBondContact O-N 3.25Å; M1866-P1887 HydrophobicContact CB-CB 4.22Å; M1866-P1887 HydrophobicContact CE-CB 4.29Å; M1866-P1887 HydrophobicContact CE-CG 3.96Å; M1866-P1887 HydrophobicContact SD-CB 3.91Å; M1866-P1887 HydrophobicContact SD-CG 4.05Å
1867	E	57.7	Low	60.8	Low	136 Å²	136	70.2 Å²	70.2	64%	0.636	40%	0.397	S	S	*	.			trans	-95.3	119.9	177.2	-156.8	177.7	-168.8	0	0	110	A1865 L1869	A1865-E1867 PolarHBondContact O-N 2.79Å; E1867-L1869 PolarHBondContact O-N 3.16Å; E1867-L1869 VanDerWaalsContact O-N 3.08Å
1868	M	48.9	Very low	58.2	Low	77.2 Å²	77.2	77.1 Å²	77.1	38%	0.38	43%	0.433	S	S	.	.			trans	-72.6	102.7	-178.9	-137.9	-122.6	132.5	0	0	111.2	L1794 A1806 A1808 M1866 T1870 I1871 Q1882	L1794-M1868 HydrophobicContact CD2-CE 3.8Å; L1794-M1868 HydrophobicContact CD2-SD 4.47Å; A1806-M1868 HydrophobicContact CB-CG 4.43Å; A1806-M1868 HydrophobicContact CB-SD 4.11Å; A1806-M1868 WeakPolarHBondContact O-CG 3.43Å; A1808-M1868 HydrophobicContact CB-CB 4.36Å; M1866-M1868 PolarHBondContact O-N 3.25Å; M1868-T1870 HydrophobicContact CE-CG2 4Å; M1868-T1870 WeakPolarHBondContact CE-OG1 3.26Å; M1868-T1870 PolarHBondContact O-N 3.03Å; M1868-T1870 PolarHBondContact O-OG1 3.14Å; M1868-T1870 VanDerWaalsContact O-OG1 3.1Å; M1868-T1870 HydrophobicContact SD-CG2 4.38Å; M1868-I1871 HydrophobicContact CE-CD1 4.47Å; M1868-I1871 HydrophobicContact CE-CG1 4.46Å; M1868-Q1882 HydrophobicContact CE-CB 3.98Å; M1868-Q1882 HydrophobicContact CE-CG 3.82Å; M1868-Q1882 VanDerWaalsContact CE-NE2 3.28Å; M1868-Q1882 VanDerWaalsContact CE-OE1 3.32Å; M1868-Q1882 PolarHBondContact SD-NE2 3.32Å
1869	L	46.2	Very low	55.6	Low	78.4 Å²	78.4	82.4 Å²	82.4	41%	0.41	46%	0.46	S	S	.	.			trans	-67.2	100.2	172.2	-86.5	165.8	0	0	0	110.8	L1794 E1867 I1871 V1885 P2167	L1794-L1869 HydrophobicContact CD2-CD1 3.79Å; E1867-L1869 PolarHBondContact O-N 3.16Å; E1867-L1869 VanDerWaalsContact O-N 3.08Å; L1869-I1871 VanDerWaalsContact C-N 3.31Å; L1869-I1871 PolarHBondContact O-N 3.14Å; L1869-I1871 VanDerWaalsContact O-N 3.11Å; L1869-V1885 HydrophobicContact CB-CG2 3.84Å; L1869-V1885 HydrophobicContact CD1-CG1 4.31Å; L1869-V1885 HydrophobicContact CD1-CG2 4.15Å; L1869-V1885 HydrophobicContact CG-CG2 4.45Å; L1869-P2167 HydrophobicContact CD2-CG 4.24Å
1870	T	39.6	Very low	52.9	Low	102.6 Å²	102.6	88.2 Å²	88.2	63%	0.629	49%	0.488	S	S	*	.			trans	-68.4	92.1	172.1	15.8	0	0	0	0	110.3	M1868 C1872	M1868-T1870 HydrophobicContact CE-CG2 4Å; M1868-T1870 WeakPolarHBondContact CE-OG1 3.26Å; M1868-T1870 PolarHBondContact O-N 3.03Å; M1868-T1870 PolarHBondContact O-OG1 3.14Å; M1868-T1870 VanDerWaalsContact O-OG1 3.1Å; M1868-T1870 HydrophobicContact SD-CG2 4.38Å; T1870-C1872 VanDerWaalsContact C-N 3.29Å; T1870-C1872 PolarHBondContact O-N 3.23Å
1871	I	37.8	Very low	50.4	Low	80.2 Å²	80.2	92.1 Å²	92.1	41%	0.411	51%	0.509	S	S	.	.			trans	-70.3	84.8	169.2	-54.3	178.7	0	0	0	108	Y1805 M1868 L1869 P1873 V1883 I1963	Y1805-I1871 HydrophobicContact CE1-CB 4.42Å; M1868-I1871 HydrophobicContact CE-CD1 4.47Å; M1868-I1871 HydrophobicContact CE-CG1 4.46Å; L1869-I1871 VanDerWaalsContact C-N 3.31Å; L1869-I1871 PolarHBondContact O-N 3.14Å; L1869-I1871 VanDerWaalsContact O-N 3.11Å; I1871-P1873 VanDerWaalsContact O-CD 3.32Å; I1871-P1873 WeakPolarHBondContact O-CD 3.37Å; I1871-P1873 VanDerWaalsContact O-N 3.12Å; I1871-V1883 HydrophobicContact CD1-CB 4.47Å; I1871-V1883 HydrophobicContact CD1-CG2 4.32Å; I1871-I1963 HydrophobicContact CD1-CD1 4.02Å
1872	C	30.8	Very low	48.2	Very low	88.8 Å²	88.8	96.8 Å²	96.8	60%	0.6	53%	0.531	S	S	*	.			trans	-68.1	114.2	176.2	-73.1	0	0	0	0	110.4	T1870 S1874 C2164	T1870-C1872 VanDerWaalsContact C-N 3.29Å; T1870-C1872 PolarHBondContact O-N 3.23Å; C1872-S1874 VanDerWaalsContact C-N 3.3Å; C1872-S1874 PolarHBondContact O-N 3.11Å; C1872-C2164 HydrophobicContact CB-CB 3.89Å; C1872-C2164 WeakPolarHBondContact CB-SG 3.42Å; C1872-C2164 WeakPolarHBondContact SG-CB 3.36Å; C1872-C2164 CovalentContact SG-SG 2.04Å; C1872-C2164 PolarHBondContact SG-SG 2.82Å
1873	P	29.5	Very low	46.1	Very low	95.2 Å²	95.2	99 Å²	99	62%	0.618	54%	0.544	S	S	*	.			trans	-73.8	94.8	173	23.2	-22.4	0	0	0	109.2	I1871 I1875	I1871-P1873 VanDerWaalsContact O-CD 3.32Å; I1871-P1873 WeakPolarHBondContact O-CD 3.37Å; I1871-P1873 VanDerWaalsContact O-N 3.12Å; P1873-I1875 PolarHBondContact O-N 3.06Å
1874	S	30.5	Very low	44.3	Very low	94.6 Å²	94.6	101 Å²	101	66%	0.662	55%	0.554	S	S	*	*			trans	-69	121.9	173.4	58.6	0	0	0	0	110.3	C1872	C1872-S1874 VanDerWaalsContact C-N 3.3Å; C1872-S1874 PolarHBondContact O-N 3.11Å
1875	I	34.6	Very low	42.9	Very low	138 Å²	138	101.9 Å²	101.9	71%	0.708	56%	0.56	S	S	*	*	S	Bend	trans	51.3	115.9	179.2	-59.5	161	0	0	0	113.2	P1873	P1873-I1875 PolarHBondContact O-N 3.06Å
1876	N	31.8	Very low	42.2	Very low	137.4 Å²	137.4	105 Å²	105	74%	0.735	57%	0.569	S	S	*	*	S	Bend	trans	52.4	88.5	159.6	-56.7	-11.6	0	0	0	118.1
1877	N	34.1	Very low	42.1	Very low	130 Å²	130	102.4 Å²	102.4	70%	0.695	56%	0.559	S	S	*	*				166.5	128.4	123.9	-83.5	-16.2	0	0	0	112.1	D1879 Y1992	N1877-D1879 VanDerWaalsContact C-N 3.27Å; N1877-D1879 PolarHBondContact O-N 3.17Å; N1877-D1879 VanDerWaalsContact O-N 3.11Å; N1877-Y1992 HydrophobicContact CB-CE2 4.46Å; N1877-Y1992 PolarHBondContact O-OH 2.57Å
1878	N	36.3	Very low	42.7	Very low	158.4 Å²	158.4	97 Å²	97	85%	0.847	54%	0.539	S	S	*	.	S	Bend	trans	-0.5	-17.7	165.2	-64.8	-0.7	0	0	0	118.3	I1880	N1878-I1880 PolarHBondContact O-N 2.97Å; N1878-I1880 VanDerWaalsContact O-N 3.08Å
1879	D	36.3	Very low	44.2	Very low	122.2 Å²	122.2	96.1 Å²	96.1	65%	0.653	54%	0.535	S	S	*	.			trans	-85	77.7	-179	-57.8	-38.6	0	0	0	112.3	N1877 N1881 Y1992	N1877-D1879 VanDerWaalsContact C-N 3.27Å; N1877-D1879 PolarHBondContact O-N 3.17Å; N1877-D1879 VanDerWaalsContact O-N 3.11Å; D1879-N1881 VanDerWaalsContact C-N 3.27Å; D1879-N1881 PolarHBondContact O-N 3.18Å; D1879-Y1992 WeakPolarHBondContact OD2-CE2 3.32Å
1880	I	37.1	Very low	46.1	Very low	139.6 Å²	139.6	94.5 Å²	94.5	72%	0.716	53%	0.526	S	S	*	.			trans	-82.7	81.7	167.8	-53.8	177.2	0	0	0	108.8	N1878 Q1882	N1878-I1880 PolarHBondContact O-N 2.97Å; N1878-I1880 VanDerWaalsContact O-N 3.08Å; I1880-Q1882 HydrophobicContact CG2-CG 4.3Å; I1880-Q1882 PolarHBondContact O-N 3.25Å; I1880-Q1882 VanDerWaalsContact O-N 3.09Å
1881	N	39	Very low	48.4	Very low	125.2 Å²	125.2	91.1 Å²	91.1	67%	0.67	51%	0.505	S	S	*	.			trans	-71.7	86.1	170.1	-72.6	-43.4	0	0	0	109.6	D1879 V1883	D1879-N1881 VanDerWaalsContact C-N 3.27Å; D1879-N1881 PolarHBondContact O-N 3.18Å; N1881-V1883 PolarHBondContact O-N 3.23Å
1882	Q	45.3	Very low	50.9	Low	112.2 Å²	112.2	88.1 Å²	88.1	52%	0.524	49%	0.49	S	S	.	.			trans	-59.5	115.9	165.9	-98.8	175.8	-21	0	0	108.5	M1868 I1880 D1884	M1868-Q1882 HydrophobicContact CE-CB 3.98Å; M1868-Q1882 HydrophobicContact CE-CG 3.82Å; M1868-Q1882 VanDerWaalsContact CE-NE2 3.28Å; M1868-Q1882 VanDerWaalsContact CE-OE1 3.32Å; M1868-Q1882 PolarHBondContact SD-NE2 3.32Å; I1880-Q1882 HydrophobicContact CG2-CG 4.3Å; I1880-Q1882 PolarHBondContact O-N 3.25Å; I1880-Q1882 VanDerWaalsContact O-N 3.09Å; Q1882-D1884 PolarHBondContact O-N 3.35Å
1883	V	45.4	Very low	53.8	Low	58 Å²	58	84.1 Å²	84.1	35%	0.352	46%	0.463	S	S	.	.			trans	-89.4	109.3	174.4	-174.9	0	0	0	0	107.4	I1871 N1881 V1885 I2000	I1871-V1883 HydrophobicContact CD1-CB 4.47Å; I1871-V1883 HydrophobicContact CD1-CG2 4.32Å; N1881-V1883 PolarHBondContact O-N 3.23Å; V1883-V1885 VanDerWaalsContact C-N 3.35Å; V1883-V1885 WeakPolarHBondContact O-CG2 3.24Å; V1883-V1885 PolarHBondContact O-N 3.1Å; V1883-V1885 VanDerWaalsContact O-N 3.09Å; V1883-I2000 HydrophobicContact CB-CD1 4.36Å; V1883-I2000 HydrophobicContact CG1-CD1 3.61Å; V1883-I2000 HydrophobicContact CG1-CG1 4.18Å
1884	D	49.3	Very low	56.8	Low	103.4 Å²	103.4	81.1 Å²	81.1	55%	0.553	44%	0.441	S	S	*	.			trans	-60.8	99.3	172.4	-80.2	-20.4	0	0	0	109.6	Q1882 Q1886	Q1882-D1884 PolarHBondContact O-N 3.35Å; D1884-Q1886 PolarHBondContact O-N 3.13Å
1885	V	51.5	Low	59.7	Low	42.2 Å²	42.2	78.6 Å²	78.6	26%	0.256	42%	0.419	S	S	.	.			trans	-77.4	111.8	174	-176.4	0	0	0	0	108	L1869 V1883 P1961 I2000	L1869-V1885 HydrophobicContact CB-CG2 3.84Å; L1869-V1885 HydrophobicContact CD1-CG1 4.31Å; L1869-V1885 HydrophobicContact CD1-CG2 4.15Å; L1869-V1885 HydrophobicContact CG-CG2 4.45Å; V1883-V1885 VanDerWaalsContact C-N 3.35Å; V1883-V1885 WeakPolarHBondContact O-CG2 3.24Å; V1883-V1885 PolarHBondContact O-N 3.1Å; V1883-V1885 VanDerWaalsContact O-N 3.09Å; V1885-P1961 HydrophobicContact CG1-CB 3.91Å; V1885-P1961 HydrophobicContact CG1-CG 3.99Å; V1885-I2000 HydrophobicContact CB-CD1 4.33Å; V1885-I2000 HydrophobicContact CG1-CD1 4.24Å; V1885-I2000 HydrophobicContact CG1-CG2 4.32Å; V1885-I2000 HydrophobicContact CG2-CD1 3.8Å
1886	Q	59.3	Low	62.4	Low	97.2 Å²	97.2	73.8 Å²	73.8	45%	0.454	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-60.7	131	178.4	-130.2	179.1	2.1	0	0	110.1	D1884 P1961 N2002	D1884-Q1886 PolarHBondContact O-N 3.13Å; Q1886-P1961 WeakPolarHBondContact O-CG 3.31Å; Q1886-N2002 WeakPolarHBondContact CB-OD1 3.24Å; Q1886-N2002 WeakPolarHBondContact CG-ND2 3.34Å; Q1886-N2002 PolarHBondContact OE1-ND2 3.04Å; Q1886-N2002 PolarHBondContact OE1-OD1 3.07Å
1887	P	63.5	Low	65.1	Low	34.4 Å²	34.4	69 Å²	69	22%	0.223	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-62.8	149.3	-172.9	23.9	-34.3	0	0	0	112.2	A1865 M1866 M1889 N2002	A1865-P1887 WeakPolarHBondContact O-CA 3.45Å; A1865-P1887 VanDerWaalsContact O-CB 3.23Å; A1865-P1887 WeakPolarHBondContact O-CB 3.33Å; M1866-P1887 HydrophobicContact CB-CB 4.22Å; M1866-P1887 HydrophobicContact CE-CB 4.29Å; M1866-P1887 HydrophobicContact CE-CG 3.96Å; M1866-P1887 HydrophobicContact SD-CB 3.91Å; M1866-P1887 HydrophobicContact SD-CG 4.05Å; P1887-M1889 WeakPolarHBondContact O-CG 3.37Å; P1887-M1889 PolarHBondContact O-N 3.18Å; P1887-N2002 PolarHBondContact O-ND2 3.48Å
1888	G	70.2	Confident	67.9	Low	21.2 Å²	21.2	64.5 Å²	64.5	22%	0.219	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	131.7	168.3	0	0	0	0	0	109.7	T1864 A1865 S1959	T1864-G1888 WeakPolarHBondContact CA-O 3.28Å; A1865-G1888 PolarHBondContact N-O 3.1Å; A1865-G1888 PolarHBondContact O-N 3.05Å; A1865-G1888 VanDerWaalsContact O-N 3.17Å; G1888-S1959 WeakPolarHBondContact CA-O 3.29Å
1889	M	80.2	Confident	70.5	Confident	59.8 Å²	59.8	57 Å²	57	30%	0.295	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.9	-179.3	-54.2	-178.4	62.9	0	0	111.1	V1862 N1863 T1864 P1887 S1959	V1862-M1889 HydrophobicContact CG1-CE 4.04Å; N1863-M1889 WeakPolarHBondContact O-CA 3.36Å; T1864-M1889 HydrophobicContact CG2-CB 4.4Å; T1864-M1889 HydrophobicContact CG2-CE 3.81Å; T1864-M1889 HydrophobicContact CG2-CG 3.87Å; T1864-M1889 HydrophobicContact CG2-SD 4.44Å; P1887-M1889 WeakPolarHBondContact O-CG 3.37Å; P1887-M1889 PolarHBondContact O-N 3.18Å; M1889-S1959 PolarHBondContact N-O 3.03Å; M1889-S1959 WeakPolarHBondContact O-CB 3.49Å; M1889-S1959 PolarHBondContact O-N 3.19Å
1890	L	85.3	Confident	73.1	Confident	43 Å²	43	52.8 Å²	52.8	23%	0.225	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.5	166.6	174.2	94.7	0	0	0	108.1	V1862 N1863 M1892 C1957 F1958	V1862-L1890 CarbonylContact C-O 3.54Å; V1862-L1890 WeakPolarHBondContact CA-O 3.27Å; N1863-L1890 HydrophobicContact CB-CB 4.43Å; N1863-L1890 HydrophobicContact CB-CD2 4.45Å; N1863-L1890 PolarHBondContact N-O 3.14Å; N1863-L1890 PolarHBondContact O-N 3.2Å; L1890-M1892 HydrophobicContact CD1-CG 4.2Å; L1890-M1892 HydrophobicContact CD1-SD 4.28Å; L1890-M1892 HydrophobicContact CD2-CG 4.06Å; L1890-M1892 HydrophobicContact CD2-SD 4.37Å; L1890-M1892 HydrophobicContact CG-CG 4.26Å; L1890-C1957 WeakPolarHBondContact CA-O 3.48Å; L1890-F1958 HydrophobicContact CD1-CD1 3.75Å; L1890-F1958 HydrophobicContact CD1-CE1 3.56Å; L1890-F1958 VanDerWaalsContact CD1-CE1 3.47Å; L1890-F1958 HydrophobicContact CD1-CG 4.33Å; L1890-F1958 HydrophobicContact CD1-CZ 4.13Å; L1890-F1958 HydrophobicContact CG-CD1 4.33Å; L1890-F1958 HydrophobicContact CG-CE1 4.25Å
1891	V	88.8	Confident	75.5	Confident	32.6 Å²	32.6	46.4 Å²	46.4	20%	0.198	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128	172.1	-177.3	0	0	0	0	108.5	I1860 T1861 V1862 K1956 C1957	I1860-V1891 HydrophobicContact CG2-CG1 4.01Å; T1861-V1891 CarbonylContact O-C 3.56Å; T1861-V1891 WeakPolarHBondContact O-CA 3.37Å; V1862-V1891 HydrophobicContact CG1-CG2 4.15Å; V1862-V1891 HydrophobicContact CG2-CG1 4.22Å; V1862-V1891 HydrophobicContact CG2-CG2 4.19Å; V1891-K1956 CarbonylContact O-C 3.54Å; V1891-K1956 WeakPolarHBondContact O-CA 3.35Å; V1891-C1957 HydrophobicContact CB-CB 4.18Å; V1891-C1957 PolarHBondContact N-O 3.04Å; V1891-C1957 PolarHBondContact O-N 3.08Å
1892	M	90	Very high	77.8	Confident	16.2 Å²	16.2	40.7 Å²	40.7	8%	0.08	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.4	170.1	-61.9	-89.2	-57.1	0	0	108.1	Q1309 I1860 T1861 L1890 F1894 L1955 K1956	Q1309-M1892 HydrophobicContact CG-CE 3.73Å; Q1309-M1892 VanDerWaalsContact NE2-CE 3.33Å; Q1309-M1892 PolarHBondContact OE1-SD 2.94Å; I1860-M1892 CarbonylContact C-O 3.57Å; I1860-M1892 VanDerWaalsContact CA-O 3.28Å; I1860-M1892 WeakPolarHBondContact CA-O 3.39Å; I1860-M1892 WeakPolarHBondContact CG2-O 3.27Å; T1861-M1892 PolarHBondContact N-O 3.09Å; T1861-M1892 PolarHBondContact O-N 2.86Å; T1861-M1892 WeakPolarHBondContact OG1-CB 3.44Å; L1890-M1892 HydrophobicContact CD1-CG 4.2Å; L1890-M1892 HydrophobicContact CD1-SD 4.28Å; L1890-M1892 HydrophobicContact CD2-CG 4.06Å; L1890-M1892 HydrophobicContact CD2-SD 4.37Å; L1890-M1892 HydrophobicContact CG-CG 4.26Å; M1892-F1894 HydrophobicContact CB-CE2 4.17Å; M1892-F1894 HydrophobicContact CE-CE1 4.46Å; M1892-F1894 HydrophobicContact CE-CE2 4.21Å; M1892-F1894 HydrophobicContact CE-CZ 4.07Å; M1892-L1955 CarbonylContact C-O 3.52Å; M1892-L1955 VanDerWaalsContact CA-O 3.27Å; M1892-L1955 WeakPolarHBondContact CA-O 3.37Å; M1892-K1956 HydrophobicContact CE-CB 4.46Å; M1892-K1956 HydrophobicContact CE-CD 3.74Å; M1892-K1956 HydrophobicContact CE-CG 3.86Å; M1892-K1956 HydrophobicContact CG-CG 4.24Å; M1892-K1956 HydrophobicContact SD-CB 3.78Å; M1892-K1956 HydrophobicContact SD-CD 3.7Å; M1892-K1956 HydrophobicContact SD-CG 3.72Å; M1892-K1956 VanDerWaalsContact SD-CG 3.55Å
1893	A	91.7	Very high	79.4	Confident	5.8 Å²	5.8	35.9 Å²	35.9	5%	0.048	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	136.5	173	0	0	0	0	0	111.3	S1859 I1860 E1954 L1955	S1859-A1893 CarbonylContact O-C 3.39Å; S1859-A1893 VanDerWaalsContact O-CA 3.28Å; S1859-A1893 WeakPolarHBondContact O-CA 3.42Å; I1860-A1893 HydrophobicContact CB-CB 4.42Å; I1860-A1893 HydrophobicContact CG1-CB 3.94Å; I1860-A1893 HydrophobicContact CG2-CB 4.29Å; A1893-E1954 CarbonylContact O-C 3.55Å; A1893-E1954 WeakPolarHBondContact O-CA 3.32Å; A1893-L1955 HydrophobicContact CB-CB 4.22Å; A1893-L1955 HydrophobicContact CB-CD2 4.27Å; A1893-L1955 HydrophobicContact CB-CG 4.46Å; A1893-L1955 PolarHBondContact N-O 3.01Å; A1893-L1955 PolarHBondContact O-N 3.07Å
1894	F	92	Very high	80.5	Confident	32.6 Å²	32.6	36.4 Å²	36.4	14%	0.143	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.6	172.3	-57.3	-86.2	0	0	0	108.3	A1858 S1859 M1892 H1952 L1953 E1954	A1858-F1894 CarbonylContact C-O 3.55Å; A1858-F1894 VanDerWaalsContact CA-O 3.25Å; A1858-F1894 WeakPolarHBondContact CA-O 3.41Å; S1859-F1894 PolarHBondContact N-O 3.05Å; S1859-F1894 PolarHBondContact O-N 3Å; M1892-F1894 HydrophobicContact CB-CE2 4.17Å; M1892-F1894 HydrophobicContact CE-CE1 4.46Å; M1892-F1894 HydrophobicContact CE-CE2 4.21Å; M1892-F1894 HydrophobicContact CE-CZ 4.07Å; F1894-H1952 AromaticContact CD1-CE1 3.93Å; F1894-L1953 CarbonylContact C-O 3.56Å; F1894-L1953 WeakPolarHBondContact CA-O 3.35Å; F1894-E1954 HydrophobicContact CD1-CB 4.06Å; F1894-E1954 HydrophobicContact CD1-CG 3.97Å; F1894-E1954 HydrophobicContact CE1-CB 4.17Å; F1894-E1954 HydrophobicContact CE1-CG 3.63Å; F1894-E1954 WeakPolarHBondContact CE1-OE1 3.37Å; F1894-E1954 HydrophobicContact CZ-CG 4.38Å
1895	I	91.8	Very high	81.2	Confident	40.6 Å²	40.6	33 Å²	33	21%	0.208	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.4	-179.5	-60.7	179.9	0	0	0	108.3	C1855 A1858 L1898 L1950 H1952 L1953	C1855-I1895 VanDerWaalsContact SG-CG2 3.51Å; A1858-I1895 HydrophobicContact CB-CG1 4.07Å; A1858-I1895 HydrophobicContact CB-CG2 4.36Å; I1895-L1898 HydrophobicContact CG2-CB 3.95Å; I1895-L1898 HydrophobicContact CG2-CD1 3.98Å; I1895-L1950 HydrophobicContact CG2-CD2 4.39Å; I1895-H1952 CarbonylContact O-C 3.43Å; I1895-H1952 VanDerWaalsContact O-CA 3.28Å; I1895-H1952 WeakPolarHBondContact O-CA 3.29Å; I1895-L1953 HydrophobicContact CB-CB 4.32Å; I1895-L1953 HydrophobicContact CB-CD2 4.39Å; I1895-L1953 HydrophobicContact CD1-CD2 4.11Å; I1895-L1953 HydrophobicContact CG1-CD2 4.34Å; I1895-L1953 PolarHBondContact N-O 3.07Å; I1895-L1953 PolarHBondContact O-N 3.05Å
1896	N	90.9	Very high	81.4	Confident	37.8 Å²	37.8	38.6 Å²	38.6	20%	0.202	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.5	-175.9	-56.6	-45.3	0	0	0	111.5	E1856 S1857 L1898 D1951 H1952	E1856-N1896 PolarHBondContact N-O 3.33Å; S1857-N1896 PolarHBondContact N-O 3.48Å; S1857-N1896 PolarHBondContact O-N 3.13Å; S1857-N1896 WeakPolarHBondContact OG-CB 3.44Å; S1857-N1896 PolarHBondContact OG-ND2 3.23Å; N1896-L1898 VanDerWaalsContact C-N 3.32Å; N1896-L1898 PolarHBondContact O-N 3.14Å; N1896-D1951 CarbonylContact C-O 3.57Å; N1896-D1951 WeakPolarHBondContact CA-O 3.23Å; N1896-H1952 PolarHBondContact OD1-ND1 3.14Å
1897	N	89.7	Confident	81.1	Confident	35.8 Å²	35.8	37.2 Å²	37.2	19%	0.191	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	46.6	51.2	174.3	-74.8	-29	0	0	0	113.5	Y1672 P1673 G1675 E1856 L1950 D1951 R2482	Y1672-N1897 PolarHBondContact OH-O 3.25Å; P1673-N1897 PolarHBondContact O-ND2 3.17Å; G1675-N1897 PolarHBondContact N-ND2 3.37Å; G1675-N1897 VanDerWaalsContact N-ND2 3.16Å; E1856-N1897 HydrophobicContact CB-CB 3.9Å; E1856-N1897 PolarHBondContact N-O 3.32Å; E1856-N1897 VanDerWaalsContact N-O 3.13Å; E1856-N1897 PolarHBondContact OE1-ND2 2.97Å; E1856-N1897 VanDerWaalsContact OE2-CB 3.31Å; E1856-N1897 WeakPolarHBondContact OE2-CB 3.08Å; E1856-N1897 PolarHBondContact OE2-ND2 3.05Å; N1897-L1950 CarbonylContact C-O 3.54Å; N1897-L1950 VanDerWaalsContact CA-O 3.29Å; N1897-L1950 WeakPolarHBondContact CA-O 3.3Å; N1897-L1950 PolarHBondContact N-O 3.39Å; N1897-D1951 PolarHBondContact N-O 3.14Å; N1897-D1951 PolarHBondContact OD1-O 3.05Å; N1897-R2482 PolarHBondContact ND2-NH1 3.33Å; N1897-R2482 VanDerWaalsContact ND2-NH1 3.15Å; N1897-R2482 PolarHBondContact OD1-NH1 3.41Å
1898	L	91.9	Very high	80.1	Confident	35.8 Å²	35.8	40.8 Å²	40.8	19%	0.187	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.2	173.2	176.3	141	0	0	0	109.7	I1853 G1854 C1855 I1895 N1896 I1900 S1949 L1950	I1853-L1898 HydrophobicContact CG2-CD1 3.98Å; I1853-L1898 HydrophobicContact CG2-CD2 4.28Å; I1853-L1898 HydrophobicContact CG2-CG 4.11Å; G1854-L1898 CarbonylContact O-C 3.57Å; G1854-L1898 VanDerWaalsContact O-CA 3.26Å; G1854-L1898 WeakPolarHBondContact O-CA 3.37Å; C1855-L1898 HydrophobicContact CB-CB 4.46Å; C1855-L1898 HydrophobicContact CB-CD1 4.18Å; I1895-L1898 HydrophobicContact CG2-CB 3.95Å; I1895-L1898 HydrophobicContact CG2-CD1 3.98Å; N1896-L1898 VanDerWaalsContact C-N 3.32Å; N1896-L1898 PolarHBondContact O-N 3.14Å; L1898-I1900 HydrophobicContact CD2-CG1 4.23Å; L1898-S1949 CarbonylContact O-C 3.55Å; L1898-S1949 VanDerWaalsContact O-CA 3.3Å; L1898-S1949 WeakPolarHBondContact O-CA 3.24Å; L1898-L1950 HydrophobicContact CB-CB 4.25Å; L1898-L1950 HydrophobicContact CB-CD2 4.37Å; L1898-L1950 HydrophobicContact CD2-CB 4.26Å; L1898-L1950 HydrophobicContact CD2-CD2 4.19Å; L1898-L1950 PolarHBondContact N-O 2.88Å; L1898-L1950 PolarHBondContact O-N 3.25Å
1899	A	91	Very high	78.6	Confident	2.2 Å²	2.2	45.1 Å²	45.1	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.4	174.7	0	0	0	0	0	112.1	Y1672 I1853 G1854 F1901 T1948 Y2486	Y1672-A1899 WeakPolarHBondContact OH-CB 3.47Å; Y1672-A1899 PolarHBondContact OH-N 2.94Å; I1853-A1899 CarbonylContact C-O 3.51Å; I1853-A1899 WeakPolarHBondContact CA-O 3.4Å; G1854-A1899 PolarHBondContact N-O 3.16Å; G1854-A1899 PolarHBondContact O-N 3.12Å; A1899-F1901 HydrophobicContact CB-CD2 4.45Å; A1899-F1901 HydrophobicContact CB-CE2 3.6Å; A1899-F1901 HydrophobicContact CB-CZ 3.85Å; A1899-T1948 CarbonylContact C-O 3.46Å; A1899-T1948 VanDerWaalsContact CA-O 3.26Å; A1899-T1948 WeakPolarHBondContact CA-O 3.29Å; A1899-T1948 WeakPolarHBondContact CB-O 3.42Å; A1899-Y2486 HydrophobicContact CB-CE1 3.87Å; A1899-Y2486 HydrophobicContact CB-CE2 4.37Å
1900	I	91	Very high	76.8	Confident	33.4 Å²	33.4	46.1 Å²	46.1	17%	0.171	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.9	178.9	-51.7	-175.2	0	0	0	109.6	F1851 M1852 I1853 L1898 C1946 I1947 T1948 F2028	F1851-I1900 HydrophobicContact CD1-CG2 4.4Å; M1852-I1900 WeakPolarHBondContact O-CA 3.44Å; I1853-I1900 HydrophobicContact CD1-CD1 4.42Å; I1853-I1900 HydrophobicContact CG1-CD1 4.38Å; I1853-I1900 HydrophobicContact CG1-CG1 4.11Å; I1853-I1900 HydrophobicContact CG1-CG2 4.32Å; I1853-I1900 HydrophobicContact CG2-CG1 4.29Å; L1898-I1900 HydrophobicContact CD2-CG1 4.23Å; I1900-C1946 WeakPolarHBondContact O-CA 3.12Å; I1900-I1947 PolarHBondContact O-N 3.24Å; I1900-T1948 HydrophobicContact CB-CG2 3.73Å; I1900-T1948 WeakPolarHBondContact CB-OG1 3.12Å; I1900-T1948 HydrophobicContact CD1-CG2 3.73Å; I1900-T1948 WeakPolarHBondContact CD1-OG1 3.39Å; I1900-T1948 HydrophobicContact CG1-CG2 3.72Å; I1900-T1948 VanDerWaalsContact CG1-OG1 3.31Å; I1900-T1948 WeakPolarHBondContact CG1-OG1 3.44Å; I1900-T1948 PolarHBondContact N-O 2.97Å; I1900-T1948 PolarHBondContact O-N 2.8Å; I1900-F2028 HydrophobicContact CD1-CE1 4.37Å
1901	F	88.6	Confident	74.5	Confident	5.6 Å²	5.6	49.8 Å²	49.8	3%	0.025	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.4	-176.8	-58.9	-91.6	0	0	0	111	Y1672 P1673 F1851 M1852 A1899 F1903 L1941 A1944 V1945 C1946 Y2486	Y1672-F1901 HydrophobicContact CD2-CE2 4.29Å; Y1672-F1901 AromaticContact CE2-CE2 3.68Å; Y1672-F1901 HydrophobicContact CE2-CE2 3.68Å; Y1672-F1901 AromaticContact CE2-CZ 3.99Å; Y1672-F1901 HydrophobicContact CE2-CZ 4.11Å; P1673-F1901 HydrophobicContact CG-CZ 4.16Å; F1851-F1901 CarbonylContact C-O 3.56Å; F1851-F1901 VanDerWaalsContact CA-O 3.25Å; F1851-F1901 WeakPolarHBondContact CA-O 3.39Å; M1852-F1901 HydrophobicContact CE-CD2 4.23Å; M1852-F1901 PolarHBondContact N-O 3.11Å; M1852-F1901 PolarHBondContact O-N 3.02Å; A1899-F1901 HydrophobicContact CB-CD2 4.45Å; A1899-F1901 HydrophobicContact CB-CE2 3.6Å; A1899-F1901 HydrophobicContact CB-CZ 3.85Å; F1901-F1903 HydrophobicContact CB-CE1 4.43Å; F1901-F1903 HydrophobicContact CB-CE2 3.72Å; F1901-F1903 HydrophobicContact CB-CZ 3.78Å; F1901-F1903 HydrophobicContact CG-CZ 4.5Å; F1901-L1941 HydrophobicContact CB-CD2 4.2Å; F1901-L1941 HydrophobicContact CD1-CD1 3.89Å; F1901-L1941 HydrophobicContact CD1-CD2 3.77Å; F1901-L1941 HydrophobicContact CD1-CG 4.46Å; F1901-L1941 HydrophobicContact CD2-CD1 4.14Å; F1901-L1941 HydrophobicContact CD2-CD2 4.01Å; F1901-L1941 HydrophobicContact CE1-CD1 3.95Å; F1901-L1941 HydrophobicContact CE1-CD2 3.98Å; F1901-L1941 VanDerWaalsContact CE1-CD2 3.41Å; F1901-L1941 HydrophobicContact CE1-CG 4.19Å; F1901-L1941 HydrophobicContact CE2-CD1 4.21Å; F1901-L1941 HydrophobicContact CE2-CD2 3.98Å; F1901-L1941 HydrophobicContact CG-CD1 3.97Å; F1901-L1941 HydrophobicContact CG-CD2 3.91Å; F1901-L1941 HydrophobicContact CZ-CD1 4.1Å; F1901-L1941 HydrophobicContact CZ-CD2 3.94Å; F1901-L1941 HydrophobicContact CZ-CG 4.39Å; F1901-A1944 HydrophobicContact CB-CB 4.12Å; F1901-A1944 HydrophobicContact CD1-CB 3.86Å; F1901-A1944 HydrophobicContact CG-CB 4.31Å; F1901-V1945 CarbonylContact C-O 3.42Å; F1901-V1945 VanDerWaalsContact CA-O 3.3Å; F1901-V1945 WeakPolarHBondContact CA-O 3.4Å; F1901-C1946 HydrophobicContact CD1-CB 3.87Å; F1901-C1946 HydrophobicContact CE1-CB 3.77Å; F1901-C1946 HydrophobicContact CZ-CB 4.34Å; F1901-Y2486 HydrophobicContact CE1-CD1 4.49Å; F1901-Y2486 HydrophobicContact CE1-CE1 4.37Å; F1901-Y2486 HydrophobicContact CZ-CD1 4.4Å; F1901-Y2486 AromaticContact CZ-CE1 3.86Å; F1901-Y2486 HydrophobicContact CZ-CE1 4.11Å
1902	V	86.8	Confident	72.2	Confident	5.6 Å²	5.6	52.6 Å²	52.6	3%	0.034	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.4	172.2	160.6	0	0	0	0	111.4	L1849 H1850 F1851 V1945 I1947 L2346	L1849-V1902 HydrophobicContact CD2-CG1 4.06Å; H1850-V1902 WeakPolarHBondContact O-CA 3.37Å; F1851-V1902 HydrophobicContact CB-CG2 4.47Å; F1851-V1902 HydrophobicContact CD1-CG2 3.32Å; F1851-V1902 HydrophobicContact CD2-CG2 4.15Å; F1851-V1902 HydrophobicContact CE1-CG2 3.38Å; F1851-V1902 VanDerWaalsContact CE1-CG2 3.41Å; F1851-V1902 HydrophobicContact CE2-CG2 4.17Å; F1851-V1902 HydrophobicContact CG-CG2 3.74Å; F1851-V1902 HydrophobicContact CZ-CG2 3.82Å; V1902-V1945 PolarHBondContact N-O 3.03Å; V1902-V1945 PolarHBondContact O-N 3.08Å; V1902-V1945 VanDerWaalsContact O-N 3.09Å; V1902-I1947 HydrophobicContact CB-CD1 3.86Å; V1902-I1947 HydrophobicContact CB-CG1 4.46Å; V1902-I1947 HydrophobicContact CG2-CD1 3.38Å; V1902-I1947 VanDerWaalsContact CG2-CD1 3.44Å; V1902-I1947 HydrophobicContact CG2-CG1 4.37Å; V1902-L2346 HydrophobicContact CG1-CD1 4.19Å; V1902-L2346 HydrophobicContact CG1-CD2 4.35Å
1903	F	79.3	Confident	69.7	Low	11.6 Å²	11.6	58.9 Å²	58.9	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.7	-177.3	-36.5	-92.7	0	0	0	110.7	H1850 M1852 F1901 F1905 W1935 F1939 L1941 A1944	H1850-F1903 HydrophobicContact CB-CB 4.48Å; H1850-F1903 HydrophobicContact CB-CD2 4.05Å; H1850-F1903 HydrophobicContact CB-CE1 4.24Å; H1850-F1903 HydrophobicContact CB-CE2 3.11Å; H1850-F1903 HydrophobicContact CB-CG 4.49Å; H1850-F1903 HydrophobicContact CB-CZ 3.42Å; H1850-F1903 VanDerWaalsContact CB-CZ 3.42Å; H1850-F1903 AromaticContact CG-CE2 3.91Å; H1850-F1903 PolarHBondContact N-O 2.83Å; H1850-F1903 VanDerWaalsContact N-O 3.14Å; H1850-F1903 WeakPolarHBondContact O-CD2 3.46Å; H1850-F1903 PolarHBondContact O-N 2.99Å; M1852-F1903 HydrophobicContact CB-CE1 3.76Å; M1852-F1903 HydrophobicContact CB-CE2 3.71Å; M1852-F1903 VanDerWaalsContact CB-CE2 3.48Å; M1852-F1903 HydrophobicContact CB-CZ 4.17Å; M1852-F1903 HydrophobicContact CE-CZ 4.47Å; M1852-F1903 HydrophobicContact SD-CZ 4.49Å; F1901-F1903 HydrophobicContact CB-CE1 4.43Å; F1901-F1903 HydrophobicContact CB-CE2 3.72Å; F1901-F1903 HydrophobicContact CB-CZ 3.78Å; F1901-F1903 HydrophobicContact CG-CZ 4.5Å; F1903-F1905 PolarHBondContact O-N 2.94Å; F1903-F1905 VanDerWaalsContact O-N 3.14Å; F1903-W1935 HydrophobicContact CB-CZ2 4.32Å; F1903-W1935 HydrophobicContact CD1-CZ2 4.35Å; F1903-W1935 HydrophobicContact CD2-CH2 4.18Å; F1903-W1935 AromaticContact CD2-CZ2 3.63Å; F1903-W1935 HydrophobicContact CD2-CZ2 4.17Å; F1903-W1935 HydrophobicContact CE1-CH2 4.46Å; F1903-W1935 AromaticContact CE2-CH2 3.2Å; F1903-W1935 HydrophobicContact CE2-CH2 3.2Å; F1903-W1935 AromaticContact CE2-CZ2 3.1Å; F1903-W1935 HydrophobicContact CE2-CZ2 3.1Å; F1903-W1935 HydrophobicContact CE2-CZ3 4.31Å; F1903-W1935 HydrophobicContact CG-CZ2 4.32Å; F1903-W1935 AromaticContact CZ-CH2 3.4Å; F1903-W1935 HydrophobicContact CZ-CH2 3.4Å; F1903-W1935 VanDerWaalsContact CZ-CH2 3.4Å; F1903-W1935 AromaticContact CZ-CZ2 3.72Å; F1903-W1935 HydrophobicContact CZ-CZ2 3.72Å; F1903-F1939 HydrophobicContact CD1-CD2 4.45Å; F1903-F1939 AromaticContact CD1-CE2 3.86Å; F1903-F1939 HydrophobicContact CD1-CE2 3.91Å; F1903-F1939 HydrophobicContact CD1-CZ 4.24Å; F1903-F1939 AromaticContact CD2-CE2 3.93Å; F1903-F1939 HydrophobicContact CD2-CE2 4.19Å; F1903-F1939 HydrophobicContact CD2-CZ 4.13Å; F1903-F1939 HydrophobicContact CE1-CD2 4.35Å; F1903-F1939 AromaticContact CE1-CE2 3.33Å; F1903-F1939 HydrophobicContact CE1-CE2 3.54Å; F1903-F1939 VanDerWaalsContact CE1-CE2 3.42Å; F1903-F1939 AromaticContact CE1-CZ 3.57Å; F1903-F1939 HydrophobicContact CE1-CZ 3.7Å; F1903-F1939 VanDerWaalsContact CE1-CZ 3.46Å; F1903-F1939 AromaticContact CE2-CE2 3.82Å; F1903-F1939 HydrophobicContact CE2-CE2 4.02Å; F1903-F1939 AromaticContact CE2-CZ 3.74Å; F1903-F1939 HydrophobicContact CE2-CZ 3.91Å; F1903-F1939 AromaticContact CG-CE2 3.86Å; F1903-F1939 HydrophobicContact CG-CE2 4.21Å; F1903-F1939 HydrophobicContact CG-CZ 4.45Å; F1903-F1939 HydrophobicContact CZ-CE1 4.39Å; F1903-F1939 AromaticContact CZ-CE2 3.46Å; F1903-F1939 HydrophobicContact CZ-CE2 3.46Å; F1903-F1939 VanDerWaalsContact CZ-CE2 3.43Å; F1903-F1939 AromaticContact CZ-CZ 3.36Å; F1903-F1939 HydrophobicContact CZ-CZ 3.36Å; F1903-L1941 HydrophobicContact CZ-CD1 4.12Å; F1903-L1941 HydrophobicContact CZ-CD2 4.4Å; F1903-A1944 HydrophobicContact CB-CB 4.27Å; F1903-A1944 HydrophobicContact CD1-CB 4.13Å; F1903-A1944 VanDerWaalsContact CE1-CA 3.42Å; F1903-A1944 HydrophobicContact CE1-CB 3.27Å; F1903-A1944 HydrophobicContact CE2-CB 4.3Å; F1903-A1944 HydrophobicContact CZ-CB 3.55Å
1904	P	68.5	Low	67.2	Low	67.8 Å²	67.8	62.1 Å²	62.1	44%	0.44	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	94.9	172.3	30.7	-31.4	0	0	0	110.5	P1847 L2346	P1847-P1904 VanDerWaalsContact CB-C 3.43Å; P1847-P1904 HydrophobicContact CB-CB 4.14Å; P1847-P1904 HydrophobicContact CG-CB 3.69Å; P1847-P1904 VanDerWaalsContact CG-CB 3.43Å; P1904-L2346 HydrophobicContact CB-CD2 4.42Å; P1904-L2346 HydrophobicContact CG-CD2 4.09Å
1905	F	64.2	Low	64.5	Low	31.2 Å²	31.2	66 Å²	66	14%	0.137	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.6	178.6	-167.2	-104.7	0	0	0	112.2	P1847 V1848 H1850 F1903 F1907 N1931 W1935	P1847-F1905 CarbonylContact C-O 3.5Å; P1847-F1905 WeakPolarHBondContact CA-O 3.29Å; P1847-F1905 VanDerWaalsContact CB-O 3.24Å; P1847-F1905 WeakPolarHBondContact CB-O 3.41Å; V1848-F1905 PolarHBondContact N-O 2.83Å; V1848-F1905 VanDerWaalsContact O-CB 3.26Å; V1848-F1905 WeakPolarHBondContact O-CB 3.37Å; V1848-F1905 PolarHBondContact O-N 2.96Å; V1848-F1905 VanDerWaalsContact O-N 3.16Å; H1850-F1905 HydrophobicContact CB-CB 4.3Å; H1850-F1905 HydrophobicContact CB-CD2 4.24Å; H1850-F1905 VanDerWaalsContact CD2-CB 3.48Å; H1850-F1905 WeakPolarHBondContact CD2-CB 3.45Å; H1850-F1905 AromaticContact CE1-CD1 3.49Å; H1850-F1905 VanDerWaalsContact CE1-CD1 3.49Å; H1850-F1905 WeakPolarHBondContact CE1-CD1 3.43Å; H1850-F1905 AromaticContact CE1-CG 3.63Å; H1850-F1905 WeakPolarHBondContact NE2-CB 3.33Å; H1850-F1905 AromaticContact NE2-CD1 3.56Å; H1850-F1905 AromaticContact NE2-CG 3.77Å; F1903-F1905 PolarHBondContact O-N 2.94Å; F1903-F1905 VanDerWaalsContact O-N 3.14Å; F1905-F1907 HydrophobicContact CD1-CD1 4.44Å; F1905-F1907 AromaticContact CD1-CD2 3.94Å; F1905-F1907 HydrophobicContact CD1-CD2 4.25Å; F1905-F1907 HydrophobicContact CD1-CE1 4.21Å; F1905-F1907 AromaticContact CD1-CE2 3.81Å; F1905-F1907 HydrophobicContact CD1-CE2 3.98Å; F1905-F1907 HydrophobicContact CD1-CG 4.41Å; F1905-F1907 AromaticContact CD1-CZ 3.87Å; F1905-F1907 HydrophobicContact CD1-CZ 3.99Å; F1905-F1907 AromaticContact CE1-CD1 3.9Å; F1905-F1907 HydrophobicContact CE1-CD1 3.94Å; F1905-F1907 HydrophobicContact CE1-CD2 4.17Å; F1905-F1907 AromaticContact CE1-CE1 3.65Å; F1905-F1907 HydrophobicContact CE1-CE1 3.65Å; F1905-F1907 VanDerWaalsContact CE1-CE1 3.5Å; F1905-F1907 AromaticContact CE1-CE2 3.9Å; F1905-F1907 HydrophobicContact CE1-CE2 4.15Å; F1905-F1907 HydrophobicContact CE1-CG 4.2Å; F1905-F1907 AromaticContact CE1-CZ 3.76Å; F1905-F1907 HydrophobicContact CE1-CZ 3.76Å; F1905-N1931 HydrophobicContact CE1-CB 4.22Å; F1905-N1931 HydrophobicContact CZ-CB 4.27Å; F1905-W1935 HydrophobicContact CD2-CB 4.27Å; F1905-W1935 AromaticContact CD2-CD1 3.51Å; F1905-W1935 VanDerWaalsContact CD2-CD1 3.42Å; F1905-W1935 HydrophobicContact CD2-CD2 4.26Å; F1905-W1935 AromaticContact CD2-CG 3.87Å; F1905-W1935 HydrophobicContact CD2-CG 3.96Å; F1905-W1935 AromaticContact CD2-NE1 3.76Å; F1905-W1935 HydrophobicContact CE2-CB 3.72Å; F1905-W1935 VanDerWaalsContact CE2-CB 3.45Å; F1905-W1935 AromaticContact CE2-CD1 3.44Å; F1905-W1935 AromaticContact CE2-CD2 3.76Å; F1905-W1935 HydrophobicContact CE2-CD2 4Å; F1905-W1935 HydrophobicContact CE2-CE3 4.3Å; F1905-W1935 AromaticContact CE2-CG 3.51Å; F1905-W1935 HydrophobicContact CE2-CG 3.51Å; F1905-W1935 AromaticContact CE2-NE1 3.96Å; F1905-W1935 HydrophobicContact CZ-CB 3.88Å; F1905-W1935 HydrophobicContact CZ-CG 4.23Å
1906	K	54.5	Low	61.8	Low	161 Å²	161	69.2 Å²	69.2	70%	0.7	39%	0.385	S	S	*	.			trans	-103.3	110.2	178.6	-68.8	-175.8	179.6	-178.7	0	110.5	P1847 T1908	P1847-K1906 HydrophobicContact CB-CG 3.93Å; P1847-K1906 HydrophobicContact CG-CG 4.19Å; K1906-T1908 PolarHBondContact O-N 2.97Å
1907	F	52.7	Low	59.4	Low	67 Å²	67	71.8 Å²	71.8	29%	0.294	40%	0.404	S	S	.	.			trans	-68	121.9	166.9	-76.1	-74.3	0	0	0	110.6	V1848 F1905 S1909 I1910 L1928 N1931	V1848-F1907 HydrophobicContact CB-CD2 4.25Å; V1848-F1907 HydrophobicContact CB-CE2 4.04Å; V1848-F1907 HydrophobicContact CG1-CE2 4.31Å; V1848-F1907 HydrophobicContact CG2-CD2 3.8Å; V1848-F1907 HydrophobicContact CG2-CE2 3.88Å; F1905-F1907 HydrophobicContact CD1-CD1 4.44Å; F1905-F1907 AromaticContact CD1-CD2 3.94Å; F1905-F1907 HydrophobicContact CD1-CD2 4.25Å; F1905-F1907 HydrophobicContact CD1-CE1 4.21Å; F1905-F1907 AromaticContact CD1-CE2 3.81Å; F1905-F1907 HydrophobicContact CD1-CE2 3.98Å; F1905-F1907 HydrophobicContact CD1-CG 4.41Å; F1905-F1907 AromaticContact CD1-CZ 3.87Å; F1905-F1907 HydrophobicContact CD1-CZ 3.99Å; F1905-F1907 AromaticContact CE1-CD1 3.9Å; F1905-F1907 HydrophobicContact CE1-CD1 3.94Å; F1905-F1907 HydrophobicContact CE1-CD2 4.17Å; F1905-F1907 AromaticContact CE1-CE1 3.65Å; F1905-F1907 HydrophobicContact CE1-CE1 3.65Å; F1905-F1907 VanDerWaalsContact CE1-CE1 3.5Å; F1905-F1907 AromaticContact CE1-CE2 3.9Å; F1905-F1907 HydrophobicContact CE1-CE2 4.15Å; F1905-F1907 HydrophobicContact CE1-CG 4.2Å; F1905-F1907 AromaticContact CE1-CZ 3.76Å; F1905-F1907 HydrophobicContact CE1-CZ 3.76Å; F1907-S1909 PolarHBondContact O-N 2.93Å; F1907-I1910 HydrophobicContact CB-CD1 4.17Å; F1907-I1910 HydrophobicContact CB-CG1 4.39Å; F1907-I1910 HydrophobicContact CD1-CD1 4.27Å; F1907-I1910 HydrophobicContact CG-CD1 4.1Å; F1907-L1928 HydrophobicContact CD1-CD2 4.05Å; F1907-L1928 HydrophobicContact CD2-CD2 4.48Å; F1907-L1928 HydrophobicContact CE1-CB 4.41Å; F1907-L1928 HydrophobicContact CE1-CD2 3.47Å; F1907-L1928 VanDerWaalsContact CE1-CD2 3.41Å; F1907-L1928 HydrophobicContact CE1-CG 4.49Å; F1907-L1928 HydrophobicContact CE2-CD2 4.16Å; F1907-L1928 HydrophobicContact CG-CD2 4.43Å; F1907-L1928 HydrophobicContact CZ-CD2 3.69Å; F1907-L1928 VanDerWaalsContact CZ-CD2 3.42Å; F1907-N1931 HydrophobicContact CD1-CB 4.21Å; F1907-N1931 HydrophobicContact CE1-CB 3.99Å
1908	T	44	Very low	56.7	Low	111.2 Å²	111.2	78.5 Å²	78.5	68%	0.682	43%	0.427	S	S	*	.			trans	-77.4	106.7	170.8	42.6	0	0	0	0	110.2	K1906 I1910 N1931	K1906-T1908 PolarHBondContact O-N 2.97Å; T1908-I1910 PolarHBondContact O-N 3.48Å; T1908-N1931 PolarHBondContact OG1-OD1 2.86Å
1909	S	38.7	Very low	54	Low	111 Å²	111	82.3 Å²	82.3	78%	0.776	45%	0.447	S	S	*	.			trans	50.2	75.2	166.5	143.6	0	0	0	0	116.6	F1907 N1911	F1907-S1909 PolarHBondContact O-N 2.93Å; S1909-N1911 PolarHBondContact O-N 3.03Å
1910	I	41.3	Very low	51.4	Low	80 Å²	80	85.8 Å²	85.8	41%	0.41	47%	0.47	S	S	.	.			trans	-85.9	131.3	149	-60.1	176.4	0	0	0	106.9	F1907 T1908 S1912 S1914 L1915 P1927 L1928	F1907-I1910 HydrophobicContact CB-CD1 4.17Å; F1907-I1910 HydrophobicContact CB-CG1 4.39Å; F1907-I1910 HydrophobicContact CD1-CD1 4.27Å; F1907-I1910 HydrophobicContact CG-CD1 4.1Å; T1908-I1910 PolarHBondContact O-N 3.48Å; I1910-S1912 PolarHBondContact O-N 3.14Å; I1910-S1914 WeakPolarHBondContact CG2-OG 3.48Å; I1910-L1915 HydrophobicContact CG2-CD1 3.76Å; I1910-P1927 HydrophobicContact CD1-CB 4.5Å; I1910-P1927 HydrophobicContact CD1-CG 3.67Å; I1910-L1928 HydrophobicContact CD1-CD2 4.05Å
1911	N	37.7	Very low	48.7	Very low	121.4 Å²	121.4	90.4 Å²	90.4	65%	0.649	50%	0.495	S	S	*	.			trans	-64.2	126.4	-178.1	-133.9	-13	0	0	0	109.8	S1909 N1913 S1914	S1909-N1911 PolarHBondContact O-N 3.03Å; N1911-N1913 PolarHBondContact O-N 3.08Å; N1911-S1914 PolarHBondContact O-N 3.12Å; N1911-S1914 PolarHBondContact O-OG 2.99Å
1912	S	39.6	Very low	46.6	Very low	90.6 Å²	90.6	93.2 Å²	93.2	63%	0.634	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.5	-169.3	50.8	0	0	0	0	115.3	I1910 L1915	I1910-S1912 PolarHBondContact O-N 3.14Å; S1912-L1915 WeakPolarHBondContact O-CD1 3.34Å
1913	N	38.8	Very low	44.3	Very low	148.2 Å²	148.2	100 Å²	100	79%	0.793	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.4	-178	-61.7	2.2	0	0	0	113.3	N1911 L1915	N1911-N1913 PolarHBondContact O-N 3.08Å; N1913-L1915 VanDerWaalsContact C-N 3.31Å; N1913-L1915 PolarHBondContact O-N 2.92Å
1914	S	38.6	Very low	42.5	Very low	74.6 Å²	74.6	102.8 Å²	102.8	52%	0.522	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-105.1	18.8	178	71.4	0	0	0	0	113.7	I1910 N1911 N1916	I1910-S1914 WeakPolarHBondContact CG2-OG 3.48Å; N1911-S1914 PolarHBondContact O-N 3.12Å; N1911-S1914 PolarHBondContact O-OG 2.99Å; S1914-N1916 VanDerWaalsContact C-N 3.3Å; S1914-N1916 PolarHBondContact O-N 2.88Å
1915	L	35.3	Very low	41.5	Very low	112.6 Å²	112.6	102 Å²	102	59%	0.59	56%	0.563	S	S	*	*			trans	-80.9	36.8	179.1	-101.6	128.5	0	0	0	113	Y1828 I1910 S1912 N1913 P1917	Y1828-L1915 HydrophobicContact CD1-CD2 4.4Å; Y1828-L1915 HydrophobicContact CE1-CD2 3.67Å; Y1828-L1915 HydrophobicContact CE2-CD2 4.2Å; I1910-L1915 HydrophobicContact CG2-CD1 3.76Å; S1912-L1915 WeakPolarHBondContact O-CD1 3.34Å; N1913-L1915 VanDerWaalsContact C-N 3.31Å; N1913-L1915 PolarHBondContact O-N 2.92Å; L1915-P1917 VanDerWaalsContact O-CD 3.29Å; L1915-P1917 WeakPolarHBondContact O-CD 3.36Å
1916	N	35.4	Very low	41	Very low	108 Å²	108	103.7 Å²	103.7	58%	0.578	57%	0.571	S	S	*	*			trans	-92.9	115.5	163.9	-113.9	-47.8	0	0	0	108	S1914 R1918 L1919	S1914-N1916 VanDerWaalsContact C-N 3.3Å; S1914-N1916 PolarHBondContact O-N 2.88Å; N1916-R1918 HydrophobicContact CB-CB 4.42Å; N1916-R1918 HydrophobicContact CB-CG 4.42Å; N1916-R1918 PolarHBondContact O-N 3.17Å; N1916-R1918 WeakPolarHBondContact OD1-CD 3.4Å; N1916-R1918 WeakPolarHBondContact OD1-CG 3.3Å; N1916-R1918 PolarHBondContact OD1-NE 3.11Å; N1916-R1918 VanDerWaalsContact OD1-NE 3.14Å; N1916-L1919 PolarHBondContact O-N 2.89Å
1917	P	39.6	Very low	41.1	Very low	94 Å²	94	99 Å²	99	61%	0.61	56%	0.557	S	S	*	*			trans	-73.1	20.7	175.2	32	-36.1	0	0	0	112.4	W1741 L1915 L1919 C1920	W1741-P1917 WeakPolarHBondContact CH2-O 3.26Å; W1741-P1917 WeakPolarHBondContact CZ3-O 3.3Å; L1915-P1917 VanDerWaalsContact O-CD 3.29Å; L1915-P1917 WeakPolarHBondContact O-CD 3.36Å; P1917-L1919 PolarHBondContact O-N 3.16Å; P1917-C1920 PolarHBondContact O-SG 2.77Å; P1917-C1920 VanDerWaalsContact O-SG 3.35Å
1918	R	33.1	Very low	41.5	Very low	174.8 Å²	174.8	97.7 Å²	97.7	66%	0.66	55%	0.553	S	S	*	*	S	Bend	trans	-84.7	116.9	171.6	-69.2	-176.6	177.8	-172.3	-2.2	109.4	D1742 N1916 C1920	D1742-R1918 IonicContact OD1-CZ 3.67Å; D1742-R1918 IonicContact OD1-NH1 3.98Å; D1742-R1918 IonicContact OD1-NH2 2.68Å; D1742-R1918 PolarHBondContact OD1-NH2 2.96Å; N1916-R1918 HydrophobicContact CB-CB 4.42Å; N1916-R1918 HydrophobicContact CB-CG 4.42Å; N1916-R1918 PolarHBondContact O-N 3.17Å; N1916-R1918 WeakPolarHBondContact OD1-CD 3.4Å; N1916-R1918 WeakPolarHBondContact OD1-CG 3.3Å; N1916-R1918 PolarHBondContact OD1-NE 3.11Å; N1916-R1918 VanDerWaalsContact OD1-NE 3.14Å; R1918-C1920 HydrophobicContact CB-CB 4.12Å; R1918-C1920 PolarHBondContact O-N 3.03Å
1919	L	35.8	Very low	42.4	Very low	116.6 Å²	116.6	93.1 Å²	93.1	61%	0.61	52%	0.524	S	S	*	.			trans	-27.4	78.6	175.1	-75	136	0	0	0	112.2	N1738 W1741 N1916 P1917 D1921 I1922	N1738-L1919 WeakPolarHBondContact ND2-CD2 3.47Å; N1738-L1919 WeakPolarHBondContact OD1-CD1 3.34Å; W1741-L1919 HydrophobicContact CH2-CD1 4.28Å; W1741-L1919 HydrophobicContact CZ2-CD1 3.52Å; W1741-L1919 HydrophobicContact CZ2-CG 4.26Å; N1916-L1919 PolarHBondContact O-N 2.89Å; P1917-L1919 PolarHBondContact O-N 3.16Å; L1919-D1921 PolarHBondContact O-N 2.95Å; L1919-D1921 VanDerWaalsContact O-N 3.14Å; L1919-I1922 HydrophobicContact CD2-CD1 4.38Å; L1919-I1922 WeakPolarHBondContact O-CD1 3.22Å; L1919-I1922 VanDerWaalsContact O-CG1 3.31Å; L1919-I1922 WeakPolarHBondContact O-CG1 3.49Å
1920	C	36.4	Very low	43.7	Very low	76 Å²	76	92.5 Å²	92.5	51%	0.514	51%	0.511	S	S	.	.			trans	-75.6	103.8	167.9	-60	0	0	0	0	110	P1917 R1918 I1922	P1917-C1920 PolarHBondContact O-SG 2.77Å; P1917-C1920 VanDerWaalsContact O-SG 3.35Å; R1918-C1920 HydrophobicContact CB-CB 4.12Å; R1918-C1920 PolarHBondContact O-N 3.03Å; C1920-I1922 HydrophobicContact CB-CG1 4.36Å; C1920-I1922 WeakPolarHBondContact O-CG1 3.41Å; C1920-I1922 PolarHBondContact O-N 3.04Å; C1920-I1922 VanDerWaalsContact O-N 3.09Å
1921	D	34	Very low	45	Very low	129.2 Å²	129.2	91 Å²	91	69%	0.691	50%	0.504	S	S	*	.			trans	-66.6	96.7	169.6	-78	-41.1	0	0	0	109.3	L1919 N1923 S1924	L1919-D1921 PolarHBondContact O-N 2.95Å; L1919-D1921 VanDerWaalsContact O-N 3.14Å; D1921-N1923 PolarHBondContact O-N 3.04Å; D1921-S1924 WeakPolarHBondContact O-CB 3.21Å; D1921-S1924 PolarHBondContact O-N 2.97Å; D1921-S1924 VanDerWaalsContact O-N 3.1Å; D1921-S1924 PolarHBondContact O-OG 3.11Å
1922	I	44.1	Very low	46.6	Very low	63.8 Å²	63.8	85.9 Å²	85.9	33%	0.327	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.2	-170.5	-73.4	164.9	0	0	0	113	L1591 Q1634 N1657 L1919 C1920 S1924	L1591-I1922 HydrophobicContact CD2-CD1 3.95Å; Q1634-I1922 HydrophobicContact CG-CD1 3.95Å; Q1634-I1922 HydrophobicContact CG-CG2 4.43Å; N1657-I1922 PolarHBondContact ND2-O 2.78Å; L1919-I1922 HydrophobicContact CD2-CD1 4.38Å; L1919-I1922 WeakPolarHBondContact O-CD1 3.22Å; L1919-I1922 VanDerWaalsContact O-CG1 3.31Å; L1919-I1922 WeakPolarHBondContact O-CG1 3.49Å; C1920-I1922 HydrophobicContact CB-CG1 4.36Å; C1920-I1922 WeakPolarHBondContact O-CG1 3.41Å; C1920-I1922 PolarHBondContact O-N 3.04Å; C1920-I1922 VanDerWaalsContact O-N 3.09Å; I1922-S1924 VanDerWaalsContact C-N 3.33Å; I1922-S1924 PolarHBondContact O-N 3.33Å
1923	N	38.3	Very low	48.2	Very low	150.2 Å²	150.2	86.4 Å²	86.4	80%	0.803	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	8	-179.7	-59.5	-22.7	0	0	0	114.2	D1921	D1921-N1923 PolarHBondContact O-N 3.04Å
1924	S	42.5	Very low	49.8	Very low	68.8 Å²	68.8	85.2 Å²	85.2	48%	0.481	45%	0.454	S	S	.	.	S	Bend	trans	-127.5	122.9	178.3	71.7	0	0	0	0	113.1	N1657 D1921 I1922 H1926 P1927	N1657-S1924 PolarHBondContact OD1-O 2.93Å; D1921-S1924 WeakPolarHBondContact O-CB 3.21Å; D1921-S1924 PolarHBondContact O-N 2.97Å; D1921-S1924 VanDerWaalsContact O-N 3.1Å; D1921-S1924 PolarHBondContact O-OG 3.11Å; I1922-S1924 VanDerWaalsContact C-N 3.33Å; I1922-S1924 PolarHBondContact O-N 3.33Å; S1924-H1926 VanDerWaalsContact C-N 3.34Å; S1924-H1926 PolarHBondContact O-N 3Å; S1924-P1927 WeakPolarHBondContact O-CD 3.46Å
1925	S	46.5	Very low	51.6	Low	51.2 Å²	51.2	83.1 Å²	83.1	36%	0.358	43%	0.434	S	S	.	.			trans	-66.2	107	179.6	42.5	0	0	0	0	111.8	V1656 N1657 P1927 L1928 I1930	V1656-S1925 VanDerWaalsContact CG1-CB 3.45Å; V1656-S1925 VanDerWaalsContact O-CB 3.28Å; V1656-S1925 WeakPolarHBondContact O-CB 3.48Å; V1656-S1925 PolarHBondContact O-OG 3.04Å; N1657-S1925 WeakPolarHBondContact OD1-CB 3.47Å; N1657-S1925 PolarHBondContact OD1-OG 3.22Å; S1925-P1927 VanDerWaalsContact C-CD 3.46Å; S1925-P1927 WeakPolarHBondContact O-CD 2.96Å; S1925-L1928 PolarHBondContact O-N 2.99Å; S1925-I1930 WeakPolarHBondContact OG-CD1 3.41Å; S1925-I1930 WeakPolarHBondContact OG-CG1 3.36Å
1926	H	53.9	Low	53.6	Low	68 Å²	68	78.6 Å²	78.6	32%	0.315	41%	0.411	S	S	.	.			trans	-57.8	123	-170.8	-142.6	-84.3	0	0	0	113.3	W1659 S1924 L1928 L1929 I1930	W1659-H1926 HydrophobicContact CH2-CB 4.02Å; W1659-H1926 AromaticContact CH2-CE1 3.99Å; W1659-H1926 AromaticContact CH2-CG 3.81Å; W1659-H1926 AromaticContact CH2-ND1 3.54Å; W1659-H1926 WeakPolarHBondContact CH2-ND1 3.35Å; W1659-H1926 HydrophobicContact CZ2-CB 3.75Å; W1659-H1926 AromaticContact CZ2-CG 3.82Å; W1659-H1926 AromaticContact CZ2-ND1 3.88Å; S1924-H1926 VanDerWaalsContact C-N 3.34Å; S1924-H1926 PolarHBondContact O-N 3Å; H1926-L1928 VanDerWaalsContact CE1-CD1 3.47Å; H1926-L1928 WeakPolarHBondContact CE1-CD1 3.32Å; H1926-L1928 VanDerWaalsContact CE1-CG 3.47Å; H1926-L1928 WeakPolarHBondContact CE1-CG 3.39Å; H1926-L1928 WeakPolarHBondContact ND1-CB 3.31Å; H1926-L1928 WeakPolarHBondContact ND1-CG 3.43Å; H1926-L1928 PolarHBondContact ND1-N 3.43Å; H1926-L1928 PolarHBondContact O-N 3.07Å; H1926-L1928 VanDerWaalsContact O-N 3.11Å; H1926-L1929 HydrophobicContact CB-CB 4.42Å; H1926-L1929 WeakPolarHBondContact O-CB 3.34Å; H1926-L1929 PolarHBondContact O-N 3.09Å; H1926-I1930 PolarHBondContact O-N 2.84Å
1927	P	56.2	Low	55.4	Low	62.4 Å²	62.4	80 Å²	80	41%	0.405	42%	0.418	S	S	.	.	H	α-helix	trans	-64.9	-27.1	-173.3	15	-21.8	0	0	0	113.3	I1910 S1924 S1925 L1929 N1931	I1910-P1927 HydrophobicContact CD1-CB 4.5Å; I1910-P1927 HydrophobicContact CD1-CG 3.67Å; S1924-P1927 WeakPolarHBondContact O-CD 3.46Å; S1925-P1927 VanDerWaalsContact C-CD 3.46Å; S1925-P1927 WeakPolarHBondContact O-CD 2.96Å; P1927-L1929 VanDerWaalsContact C-N 3.32Å; P1927-L1929 PolarHBondContact O-N 3.08Å; P1927-N1931 VanDerWaalsContact O-CB 3.32Å; P1927-N1931 WeakPolarHBondContact O-CB 3.37Å; P1927-N1931 VanDerWaalsContact O-CG 3.3Å; P1927-N1931 PolarHBondContact O-N 3.11Å; P1927-N1931 VanDerWaalsContact O-N 3.14Å; P1927-N1931 PolarHBondContact O-ND2 3.29Å
1928	L	61.1	Low	57.1	Low	38.6 Å²	38.6	79.4 Å²	79.4	20%	0.202	41%	0.413	C	S	.	.	H	α-helix	trans	-61.1	-40.2	176.1	-59.6	178.1	0	0	0	112.2	W1659 L1734 F1907 I1910 S1925 H1926 N1931 F1932	W1659-L1928 HydrophobicContact CH2-CB 4.46Å; W1659-L1928 HydrophobicContact CZ3-CB 4.43Å; L1734-L1928 HydrophobicContact CD1-CD1 3.87Å; F1907-L1928 HydrophobicContact CD1-CD2 4.05Å; F1907-L1928 HydrophobicContact CD2-CD2 4.48Å; F1907-L1928 HydrophobicContact CE1-CB 4.41Å; F1907-L1928 HydrophobicContact CE1-CD2 3.47Å; F1907-L1928 VanDerWaalsContact CE1-CD2 3.41Å; F1907-L1928 HydrophobicContact CE1-CG 4.49Å; F1907-L1928 HydrophobicContact CE2-CD2 4.16Å; F1907-L1928 HydrophobicContact CG-CD2 4.43Å; F1907-L1928 HydrophobicContact CZ-CD2 3.69Å; F1907-L1928 VanDerWaalsContact CZ-CD2 3.42Å; I1910-L1928 HydrophobicContact CD1-CD2 4.05Å; S1925-L1928 PolarHBondContact O-N 2.99Å; H1926-L1928 VanDerWaalsContact CE1-CD1 3.47Å; H1926-L1928 WeakPolarHBondContact CE1-CD1 3.32Å; H1926-L1928 VanDerWaalsContact CE1-CG 3.47Å; H1926-L1928 WeakPolarHBondContact CE1-CG 3.39Å; H1926-L1928 WeakPolarHBondContact ND1-CB 3.31Å; H1926-L1928 WeakPolarHBondContact ND1-CG 3.43Å; H1926-L1928 PolarHBondContact ND1-N 3.43Å; H1926-L1928 PolarHBondContact O-N 3.07Å; H1926-L1928 VanDerWaalsContact O-N 3.11Å; L1928-N1931 PolarHBondContact O-N 2.79Å; L1928-F1932 VanDerWaalsContact O-CB 3.25Å; L1928-F1932 WeakPolarHBondContact O-CB 3.32Å; L1928-F1932 PolarHBondContact O-N 3.2Å
1929	L	64.5	Low	59.1	Low	14.4 Å²	14.4	71.9 Å²	71.9	8%	0.075	39%	0.385	C	S	.	.	H	α-helix	trans	-73.2	-42.5	-173.9	-169.7	126.2	0	0	0	111.7	L1658 W1659 P1660 H1926 P1927 N1931 F1932 R1933	L1658-L1929 VanDerWaalsContact O-CD1 3.27Å; L1658-L1929 WeakPolarHBondContact O-CD1 3.46Å; L1658-L1929 WeakPolarHBondContact O-CD2 3.41Å; W1659-L1929 HydrophobicContact CD2-CD1 4.04Å; W1659-L1929 HydrophobicContact CD2-CD2 4.33Å; W1659-L1929 HydrophobicContact CE3-CB 4.39Å; W1659-L1929 HydrophobicContact CE3-CD1 4Å; W1659-L1929 HydrophobicContact CE3-CG 4.09Å; W1659-L1929 HydrophobicContact CG-CD1 4.28Å; W1659-L1929 HydrophobicContact CH2-CB 4.41Å; W1659-L1929 HydrophobicContact CZ3-CB 4.21Å; W1659-L1929 HydrophobicContact CZ3-CD1 4.12Å; W1659-L1929 HydrophobicContact CZ3-CG 4.19Å; P1660-L1929 HydrophobicContact CG-CD2 4.35Å; H1926-L1929 HydrophobicContact CB-CB 4.42Å; H1926-L1929 WeakPolarHBondContact O-CB 3.34Å; H1926-L1929 PolarHBondContact O-N 3.09Å; P1927-L1929 VanDerWaalsContact C-N 3.32Å; P1927-L1929 PolarHBondContact O-N 3.08Å; L1929-N1931 VanDerWaalsContact C-N 3.34Å; L1929-F1932 PolarHBondContact O-N 3.25Å; L1929-R1933 HydrophobicContact CD2-CG 4.36Å; L1929-R1933 WeakPolarHBondContact O-CG 3.32Å; L1929-R1933 PolarHBondContact O-N 3.12Å
1930	I	65.9	Low	61.1	Low	99.8 Å²	99.8	68.2 Å²	68.2	51%	0.512	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-48	173.9	-60.3	173.9	0	0	0	110	S1925 H1926 F1932 R1933 H1934	S1925-I1930 WeakPolarHBondContact OG-CD1 3.41Å; S1925-I1930 WeakPolarHBondContact OG-CG1 3.36Å; H1926-I1930 PolarHBondContact O-N 2.84Å; I1930-F1932 VanDerWaalsContact C-N 3.31Å; I1930-F1932 PolarHBondContact O-N 3.15Å; I1930-R1933 PolarHBondContact O-N 2.99Å; I1930-H1934 VanDerWaalsContact O-CB 3.23Å; I1930-H1934 WeakPolarHBondContact O-CB 3.32Å; I1930-H1934 PolarHBondContact O-N 3.08Å
1931	N	67	Low	63.1	Low	48.8 Å²	48.8	64.8 Å²	64.8	26%	0.261	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-36.9	178.6	-73.8	-34.6	0	0	0	112.3	F1905 F1907 T1908 P1927 L1928 L1929 W1935	F1905-N1931 HydrophobicContact CE1-CB 4.22Å; F1905-N1931 HydrophobicContact CZ-CB 4.27Å; F1907-N1931 HydrophobicContact CD1-CB 4.21Å; F1907-N1931 HydrophobicContact CE1-CB 3.99Å; T1908-N1931 PolarHBondContact OG1-OD1 2.86Å; P1927-N1931 VanDerWaalsContact O-CB 3.32Å; P1927-N1931 WeakPolarHBondContact O-CB 3.37Å; P1927-N1931 VanDerWaalsContact O-CG 3.3Å; P1927-N1931 PolarHBondContact O-N 3.11Å; P1927-N1931 VanDerWaalsContact O-N 3.14Å; P1927-N1931 PolarHBondContact O-ND2 3.29Å; L1928-N1931 PolarHBondContact O-N 2.79Å; L1929-N1931 VanDerWaalsContact C-N 3.34Å; N1931-W1935 VanDerWaalsContact O-CB 3.3Å; N1931-W1935 WeakPolarHBondContact O-CB 3.28Å; N1931-W1935 PolarHBondContact O-N 3Å
1932	F	73	Confident	65.1	Low	13.4 Å²	13.4	62 Å²	62	6%	0.059	33%	0.327	C	S	.	.	H	α-helix	trans	-67.6	-46.9	176	178.6	-101.6	0	0	0	112.6	P1660 V1730 W1732 T1823 H1850 L1928 L1929 I1930 H1934 W1935 L1936	P1660-F1932 HydrophobicContact CG-CD1 4.26Å; P1660-F1932 HydrophobicContact CG-CE1 3.93Å; V1730-F1932 HydrophobicContact CB-CE1 4.37Å; V1730-F1932 HydrophobicContact CB-CZ 4.3Å; V1730-F1932 HydrophobicContact CG1-CD1 4.43Å; V1730-F1932 HydrophobicContact CG1-CE1 3.71Å; V1730-F1932 VanDerWaalsContact CG1-CE1 3.46Å; V1730-F1932 HydrophobicContact CG1-CE2 4.15Å; V1730-F1932 HydrophobicContact CG1-CZ 3.49Å; V1730-F1932 VanDerWaalsContact CG1-CZ 3.44Å; V1730-F1932 HydrophobicContact CG2-CE1 4.1Å; V1730-F1932 HydrophobicContact CG2-CZ 3.98Å; W1732-F1932 HydrophobicContact CH2-CB 3.95Å; W1732-F1932 AromaticContact CH2-CD1 3.77Å; W1732-F1932 HydrophobicContact CH2-CD1 3.77Å; W1732-F1932 HydrophobicContact CH2-CD2 4.09Å; W1732-F1932 HydrophobicContact CH2-CE1 4.28Å; W1732-F1932 AromaticContact CH2-CG 3.65Å; W1732-F1932 HydrophobicContact CH2-CG 3.65Å; W1732-F1932 AromaticContact CZ2-CD1 3.72Å; W1732-F1932 HydrophobicContact CZ2-CD1 3.72Å; W1732-F1932 HydrophobicContact CZ2-CD2 4.49Å; W1732-F1932 AromaticContact CZ2-CE1 3.82Å; W1732-F1932 HydrophobicContact CZ2-CE1 3.89Å; W1732-F1932 HydrophobicContact CZ2-CG 4.1Å; W1732-F1932 HydrophobicContact CZ2-CZ 4.39Å; T1823-F1932 HydrophobicContact CG2-CE2 4.23Å; T1823-F1932 HydrophobicContact CG2-CZ 4.05Å; H1850-F1932 AromaticContact CE1-CE2 3.84Å; H1850-F1932 AromaticContact NE2-CE2 3.97Å; L1928-F1932 VanDerWaalsContact O-CB 3.25Å; L1928-F1932 WeakPolarHBondContact O-CB 3.32Å; L1928-F1932 PolarHBondContact O-N 3.2Å; L1929-F1932 PolarHBondContact O-N 3.25Å; I1930-F1932 VanDerWaalsContact C-N 3.31Å; I1930-F1932 PolarHBondContact O-N 3.15Å; F1932-H1934 VanDerWaalsContact C-N 3.33Å; F1932-H1934 PolarHBondContact O-N 3.14Å; F1932-W1935 AromaticContact CD2-CE3 3.88Å; F1932-W1935 HydrophobicContact CD2-CE3 3.93Å; F1932-W1935 HydrophobicContact CD2-CZ3 4.28Å; F1932-W1935 AromaticContact CE2-CE3 3.78Å; F1932-W1935 HydrophobicContact CE2-CE3 3.83Å; F1932-W1935 AromaticContact CE2-CZ3 3.73Å; F1932-W1935 HydrophobicContact CE2-CZ3 3.73Å; F1932-W1935 HydrophobicContact CZ-CE3 4.42Å; F1932-W1935 HydrophobicContact CZ-CZ3 4.1Å; F1932-W1935 WeakPolarHBondContact O-CB 3.24Å; F1932-W1935 PolarHBondContact O-N 3.25Å; F1932-W1935 VanDerWaalsContact O-N 3.14Å; F1932-L1936 HydrophobicContact CD1-CD1 4.14Å; F1932-L1936 HydrophobicContact CE1-CD1 3.42Å; F1932-L1936 VanDerWaalsContact CE1-CD1 3.46Å; F1932-L1936 HydrophobicContact CE1-CG 4.03Å; F1932-L1936 HydrophobicContact CE2-CD1 4.3Å; F1932-L1936 HydrophobicContact CE2-CD2 4.45Å; F1932-L1936 HydrophobicContact CE2-CG 4.32Å; F1932-L1936 HydrophobicContact CZ-CD1 3.6Å; F1932-L1936 HydrophobicContact CZ-CD2 4.23Å; F1932-L1936 HydrophobicContact CZ-CG 3.94Å; F1932-L1936 PolarHBondContact O-N 2.96Å
1933	R	72.3	Confident	66.6	Low	101.6 Å²	101.6	66 Å²	66	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-39.7	175.5	-90.1	179.3	175.2	163	1.1	111.7	D1627 L1658 I1663 L1929 I1930 W1935 N1937	D1627-R1933 IonicContact OD1-NH2 3.74Å; D1627-R1933 IonicContact OD2-CZ 2.74Å; D1627-R1933 IonicContact OD2-NH1 3.87Å; D1627-R1933 IonicContact OD2-NH2 2.63Å; D1627-R1933 PolarHBondContact OD2-NH2 3.07Å; L1658-R1933 PolarHBondContact O-NH1 2.92Å; L1658-R1933 PolarHBondContact O-NH2 3.19Å; I1663-R1933 HydrophobicContact CD1-CG 4.39Å; L1929-R1933 HydrophobicContact CD2-CG 4.36Å; L1929-R1933 WeakPolarHBondContact O-CG 3.32Å; L1929-R1933 PolarHBondContact O-N 3.12Å; I1930-R1933 PolarHBondContact O-N 2.99Å; R1933-W1935 VanDerWaalsContact C-N 3.34Å; R1933-W1935 PolarHBondContact O-N 2.81Å; R1933-N1937 WeakPolarHBondContact O-CB 3.23Å; R1933-N1937 VanDerWaalsContact O-CG 3.27Å; R1933-N1937 PolarHBondContact O-N 2.97Å; R1933-N1937 VanDerWaalsContact O-N 3.14Å; R1933-N1937 PolarHBondContact O-OD1 3.22Å
1934	H	73.4	Confident	68.7	Low	122.8 Å²	122.8	59.6 Å²	59.6	57%	0.569	31%	0.31	S	S	*	.	H	α-helix	trans	-64	-41.1	172.6	-176.3	-53.6	0	0	0	112.1	I1930 F1932 L1936 N1937 T1938	I1930-H1934 VanDerWaalsContact O-CB 3.23Å; I1930-H1934 WeakPolarHBondContact O-CB 3.32Å; I1930-H1934 PolarHBondContact O-N 3.08Å; F1932-H1934 VanDerWaalsContact C-N 3.33Å; F1932-H1934 PolarHBondContact O-N 3.14Å; H1934-L1936 VanDerWaalsContact C-N 3.33Å; H1934-L1936 PolarHBondContact O-N 2.89Å; H1934-N1937 CarbonylContact O-C 3.55Å; H1934-N1937 PolarHBondContact O-N 3.18Å; H1934-T1938 WeakPolarHBondContact O-CB 3.31Å; H1934-T1938 PolarHBondContact O-N 3.22Å; H1934-T1938 VanDerWaalsContact O-N 3.12Å; H1934-T1938 PolarHBondContact O-OG1 3.08Å; H1934-T1938 VanDerWaalsContact O-OG1 3.09Å
1935	W	76	Confident	70.8	Confident	30.2 Å²	30.2	58 Å²	58	11%	0.114	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-47.6	177.3	171.5	73.2	0	0	0	112.2	T1823 H1850 F1903 F1905 N1931 F1932 R1933 N1937 T1938 F1939	T1823-W1935 HydrophobicContact CG2-CH2 4.07Å; T1823-W1935 HydrophobicContact CG2-CZ3 4.41Å; H1850-W1935 HydrophobicContact CB-CH2 3.89Å; H1850-W1935 HydrophobicContact CB-CZ2 4.36Å; H1850-W1935 AromaticContact CD2-CH2 3.34Å; H1850-W1935 WeakPolarHBondContact CD2-CH2 3.22Å; H1850-W1935 AromaticContact CD2-CZ2 3.83Å; H1850-W1935 AromaticContact CD2-CZ3 3.82Å; H1850-W1935 AromaticContact CG-CH2 3.97Å; H1850-W1935 AromaticContact NE2-CH2 3.57Å; H1850-W1935 AromaticContact NE2-CZ3 3.67Å; F1903-W1935 HydrophobicContact CB-CZ2 4.32Å; F1903-W1935 HydrophobicContact CD1-CZ2 4.35Å; F1903-W1935 HydrophobicContact CD2-CH2 4.18Å; F1903-W1935 AromaticContact CD2-CZ2 3.63Å; F1903-W1935 HydrophobicContact CD2-CZ2 4.17Å; F1903-W1935 HydrophobicContact CE1-CH2 4.46Å; F1903-W1935 AromaticContact CE2-CH2 3.2Å; F1903-W1935 HydrophobicContact CE2-CH2 3.2Å; F1903-W1935 AromaticContact CE2-CZ2 3.1Å; F1903-W1935 HydrophobicContact CE2-CZ2 3.1Å; F1903-W1935 HydrophobicContact CE2-CZ3 4.31Å; F1903-W1935 HydrophobicContact CG-CZ2 4.32Å; F1903-W1935 AromaticContact CZ-CH2 3.4Å; F1903-W1935 HydrophobicContact CZ-CH2 3.4Å; F1903-W1935 VanDerWaalsContact CZ-CH2 3.4Å; F1903-W1935 AromaticContact CZ-CZ2 3.72Å; F1903-W1935 HydrophobicContact CZ-CZ2 3.72Å; F1905-W1935 HydrophobicContact CD2-CB 4.27Å; F1905-W1935 AromaticContact CD2-CD1 3.51Å; F1905-W1935 VanDerWaalsContact CD2-CD1 3.42Å; F1905-W1935 HydrophobicContact CD2-CD2 4.26Å; F1905-W1935 AromaticContact CD2-CG 3.87Å; F1905-W1935 HydrophobicContact CD2-CG 3.96Å; F1905-W1935 AromaticContact CD2-NE1 3.76Å; F1905-W1935 HydrophobicContact CE2-CB 3.72Å; F1905-W1935 VanDerWaalsContact CE2-CB 3.45Å; F1905-W1935 AromaticContact CE2-CD1 3.44Å; F1905-W1935 AromaticContact CE2-CD2 3.76Å; F1905-W1935 HydrophobicContact CE2-CD2 4Å; F1905-W1935 HydrophobicContact CE2-CE3 4.3Å; F1905-W1935 AromaticContact CE2-CG 3.51Å; F1905-W1935 HydrophobicContact CE2-CG 3.51Å; F1905-W1935 AromaticContact CE2-NE1 3.96Å; F1905-W1935 HydrophobicContact CZ-CB 3.88Å; F1905-W1935 HydrophobicContact CZ-CG 4.23Å; N1931-W1935 VanDerWaalsContact O-CB 3.3Å; N1931-W1935 WeakPolarHBondContact O-CB 3.28Å; N1931-W1935 PolarHBondContact O-N 3Å; F1932-W1935 AromaticContact CD2-CE3 3.88Å; F1932-W1935 HydrophobicContact CD2-CE3 3.93Å; F1932-W1935 HydrophobicContact CD2-CZ3 4.28Å; F1932-W1935 AromaticContact CE2-CE3 3.78Å; F1932-W1935 HydrophobicContact CE2-CE3 3.83Å; F1932-W1935 AromaticContact CE2-CZ3 3.73Å; F1932-W1935 HydrophobicContact CE2-CZ3 3.73Å; F1932-W1935 HydrophobicContact CZ-CE3 4.42Å; F1932-W1935 HydrophobicContact CZ-CZ3 4.1Å; F1932-W1935 WeakPolarHBondContact O-CB 3.24Å; F1932-W1935 PolarHBondContact O-N 3.25Å; F1932-W1935 VanDerWaalsContact O-N 3.14Å; R1933-W1935 VanDerWaalsContact C-N 3.34Å; R1933-W1935 PolarHBondContact O-N 2.81Å; W1935-N1937 VanDerWaalsContact C-N 3.31Å; W1935-N1937 PolarHBondContact O-N 2.98Å; W1935-T1938 WeakPolarHBondContact CA-OG1 3.46Å; W1935-T1938 CarbonylContact O-C 3.48Å; W1935-T1938 VanDerWaalsContact O-C 3.3Å; W1935-T1938 WeakPolarHBondContact O-CA 3.45Å; W1935-T1938 PolarHBondContact O-N 3.07Å; W1935-T1938 VanDerWaalsContact O-N 3.13Å; W1935-T1938 PolarHBondContact O-OG1 2.98Å; W1935-F1939 HydrophobicContact CD2-CD2 4.43Å; W1935-F1939 AromaticContact CE2-CD2 3.76Å; W1935-F1939 AromaticContact CH2-CD2 3.81Å; W1935-F1939 HydrophobicContact CH2-CD2 3.92Å; W1935-F1939 AromaticContact CH2-CE2 3.8Å; W1935-F1939 HydrophobicContact CH2-CE2 3.91Å; W1935-F1939 HydrophobicContact CH2-CG 4.36Å; W1935-F1939 HydrophobicContact CZ2-CB 4.42Å; W1935-F1939 AromaticContact CZ2-CD2 3.41Å; W1935-F1939 HydrophobicContact CZ2-CD2 3.41Å; W1935-F1939 VanDerWaalsContact CZ2-CD2 3.44Å; W1935-F1939 AromaticContact CZ2-CE2 3.48Å; W1935-F1939 HydrophobicContact CZ2-CE2 3.48Å; W1935-F1939 VanDerWaalsContact CZ2-CE2 3.44Å; W1935-F1939 AromaticContact CZ2-CG 3.95Å; W1935-F1939 HydrophobicContact CZ2-CG 3.95Å; W1935-F1939 HydrophobicContact CZ2-CZ 4.46Å; W1935-F1939 HydrophobicContact CZ3-CD2 4.33Å; W1935-F1939 WeakPolarHBondContact O-CB 3.37Å; W1935-F1939 PolarHBondContact O-N 3.35Å
1936	L	76.6	Confident	72.8	Confident	18.2 Å²	18.2	56.3 Å²	56.3	10%	0.095	29%	0.286	C	S	.	.	H	α-helix	trans	-56.3	-46.3	175.7	-87.5	170.6	0	0	0	111.4	I1663 L1665 V1730 T1823 F1932 H1934 T1938 F1939	I1663-L1936 HydrophobicContact CD1-CD1 3.62Å; I1663-L1936 VanDerWaalsContact CD1-CD1 3.46Å; I1663-L1936 HydrophobicContact CD1-CD2 3.71Å; I1663-L1936 HydrophobicContact CD1-CG 4.24Å; L1665-L1936 HydrophobicContact CD1-CD2 4.1Å; V1730-L1936 HydrophobicContact CG2-CD1 4.23Å; T1823-L1936 HydrophobicContact CG2-CD2 4.38Å; F1932-L1936 HydrophobicContact CD1-CD1 4.14Å; F1932-L1936 HydrophobicContact CE1-CD1 3.42Å; F1932-L1936 VanDerWaalsContact CE1-CD1 3.46Å; F1932-L1936 HydrophobicContact CE1-CG 4.03Å; F1932-L1936 HydrophobicContact CE2-CD1 4.3Å; F1932-L1936 HydrophobicContact CE2-CD2 4.45Å; F1932-L1936 HydrophobicContact CE2-CG 4.32Å; F1932-L1936 HydrophobicContact CZ-CD1 3.6Å; F1932-L1936 HydrophobicContact CZ-CD2 4.23Å; F1932-L1936 HydrophobicContact CZ-CG 3.94Å; F1932-L1936 PolarHBondContact O-N 2.96Å; H1934-L1936 VanDerWaalsContact C-N 3.33Å; H1934-L1936 PolarHBondContact O-N 2.89Å; L1936-T1938 PolarHBondContact O-N 3.19Å; L1936-T1938 VanDerWaalsContact O-N 3.12Å; L1936-F1939 VanDerWaalsContact O-CB 3.28Å; L1936-F1939 WeakPolarHBondContact O-CB 3.41Å; L1936-F1939 PolarHBondContact O-N 2.99Å; L1936-F1939 VanDerWaalsContact O-N 3.11Å
1937	N	73.8	Confident	74.5	Confident	136.4 Å²	136.4	53.3 Å²	53.3	73%	0.729	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.7	178.2	-66.9	2.2	0	0	0	114.1	R1933 H1934 W1935	R1933-N1937 WeakPolarHBondContact O-CB 3.23Å; R1933-N1937 VanDerWaalsContact O-CG 3.27Å; R1933-N1937 PolarHBondContact O-N 2.97Å; R1933-N1937 VanDerWaalsContact O-N 3.14Å; R1933-N1937 PolarHBondContact O-OD1 3.22Å; H1934-N1937 CarbonylContact O-C 3.55Å; H1934-N1937 PolarHBondContact O-N 3.18Å; W1935-N1937 VanDerWaalsContact C-N 3.31Å; W1935-N1937 PolarHBondContact O-N 2.98Å
1938	T	74.8	Confident	76.1	Confident	82.2 Å²	82.2	51.1 Å²	51.1	50%	0.504	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	12.2	177	54.7	0	0	0	0	112.9	H1934 W1935 L1936	H1934-T1938 WeakPolarHBondContact O-CB 3.31Å; H1934-T1938 PolarHBondContact O-N 3.22Å; H1934-T1938 VanDerWaalsContact O-N 3.12Å; H1934-T1938 PolarHBondContact O-OG1 3.08Å; H1934-T1938 VanDerWaalsContact O-OG1 3.09Å; W1935-T1938 WeakPolarHBondContact CA-OG1 3.46Å; W1935-T1938 CarbonylContact O-C 3.48Å; W1935-T1938 VanDerWaalsContact O-C 3.3Å; W1935-T1938 WeakPolarHBondContact O-CA 3.45Å; W1935-T1938 PolarHBondContact O-N 3.07Å; W1935-T1938 VanDerWaalsContact O-N 3.13Å; W1935-T1938 PolarHBondContact O-OG1 2.98Å; L1936-T1938 PolarHBondContact O-N 3.19Å; L1936-T1938 VanDerWaalsContact O-N 3.12Å
1939	F	75.9	Confident	77.5	Confident	16.8 Å²	16.8	50 Å²	50	7%	0.074	25%	0.253	C	S	.	.			trans	-71.9	146.5	-175.6	-173.9	-105.9	0	0	0	112.1	I1670 M1852 F1903 W1935 L1936 L1941 A1944	I1670-F1939 HydrophobicContact CB-CD1 3.78Å; I1670-F1939 HydrophobicContact CB-CE1 3.91Å; I1670-F1939 HydrophobicContact CD1-CE1 4.39Å; I1670-F1939 HydrophobicContact CG2-CD1 3.63Å; I1670-F1939 HydrophobicContact CG2-CE1 4.07Å; I1670-F1939 HydrophobicContact CG2-CG 4.46Å; M1852-F1939 HydrophobicContact CE-CD1 4.3Å; M1852-F1939 HydrophobicContact CE-CE1 4.06Å; M1852-F1939 HydrophobicContact CE-CZ 3.9Å; M1852-F1939 HydrophobicContact SD-CD1 3.93Å; M1852-F1939 HydrophobicContact SD-CE1 3.76Å; M1852-F1939 WeakPolarHBondContact SD-CE1 3.4Å; M1852-F1939 HydrophobicContact SD-CE2 4.4Å; M1852-F1939 HydrophobicContact SD-CZ 3.7Å; M1852-F1939 VanDerWaalsContact SD-CZ 3.53Å; F1903-F1939 HydrophobicContact CD1-CD2 4.45Å; F1903-F1939 AromaticContact CD1-CE2 3.86Å; F1903-F1939 HydrophobicContact CD1-CE2 3.91Å; F1903-F1939 HydrophobicContact CD1-CZ 4.24Å; F1903-F1939 AromaticContact CD2-CE2 3.93Å; F1903-F1939 HydrophobicContact CD2-CE2 4.19Å; F1903-F1939 HydrophobicContact CD2-CZ 4.13Å; F1903-F1939 HydrophobicContact CE1-CD2 4.35Å; F1903-F1939 AromaticContact CE1-CE2 3.33Å; F1903-F1939 HydrophobicContact CE1-CE2 3.54Å; F1903-F1939 VanDerWaalsContact CE1-CE2 3.42Å; F1903-F1939 AromaticContact CE1-CZ 3.57Å; F1903-F1939 HydrophobicContact CE1-CZ 3.7Å; F1903-F1939 VanDerWaalsContact CE1-CZ 3.46Å; F1903-F1939 AromaticContact CE2-CE2 3.82Å; F1903-F1939 HydrophobicContact CE2-CE2 4.02Å; F1903-F1939 AromaticContact CE2-CZ 3.74Å; F1903-F1939 HydrophobicContact CE2-CZ 3.91Å; F1903-F1939 AromaticContact CG-CE2 3.86Å; F1903-F1939 HydrophobicContact CG-CE2 4.21Å; F1903-F1939 HydrophobicContact CG-CZ 4.45Å; F1903-F1939 HydrophobicContact CZ-CE1 4.39Å; F1903-F1939 AromaticContact CZ-CE2 3.46Å; F1903-F1939 HydrophobicContact CZ-CE2 3.46Å; F1903-F1939 VanDerWaalsContact CZ-CE2 3.43Å; F1903-F1939 AromaticContact CZ-CZ 3.36Å; F1903-F1939 HydrophobicContact CZ-CZ 3.36Å; W1935-F1939 HydrophobicContact CD2-CD2 4.43Å; W1935-F1939 AromaticContact CE2-CD2 3.76Å; W1935-F1939 AromaticContact CH2-CD2 3.81Å; W1935-F1939 HydrophobicContact CH2-CD2 3.92Å; W1935-F1939 AromaticContact CH2-CE2 3.8Å; W1935-F1939 HydrophobicContact CH2-CE2 3.91Å; W1935-F1939 HydrophobicContact CH2-CG 4.36Å; W1935-F1939 HydrophobicContact CZ2-CB 4.42Å; W1935-F1939 AromaticContact CZ2-CD2 3.41Å; W1935-F1939 HydrophobicContact CZ2-CD2 3.41Å; W1935-F1939 VanDerWaalsContact CZ2-CD2 3.44Å; W1935-F1939 AromaticContact CZ2-CE2 3.48Å; W1935-F1939 HydrophobicContact CZ2-CE2 3.48Å; W1935-F1939 VanDerWaalsContact CZ2-CE2 3.44Å; W1935-F1939 AromaticContact CZ2-CG 3.95Å; W1935-F1939 HydrophobicContact CZ2-CG 3.95Å; W1935-F1939 HydrophobicContact CZ2-CZ 4.46Å; W1935-F1939 HydrophobicContact CZ3-CD2 4.33Å; W1935-F1939 WeakPolarHBondContact O-CB 3.37Å; W1935-F1939 PolarHBondContact O-N 3.35Å; L1936-F1939 VanDerWaalsContact O-CB 3.28Å; L1936-F1939 WeakPolarHBondContact O-CB 3.41Å; L1936-F1939 PolarHBondContact O-N 2.99Å; L1936-F1939 VanDerWaalsContact O-N 3.11Å; F1939-L1941 HydrophobicContact CE1-CB 4.22Å; F1939-L1941 HydrophobicContact CE1-CD1 4.11Å; F1939-L1941 HydrophobicContact CE1-CD2 3.59Å; F1939-L1941 HydrophobicContact CE1-CG 4.01Å; F1939-L1941 HydrophobicContact CZ-CD1 4.22Å; F1939-L1941 HydrophobicContact CZ-CD2 3.85Å; F1939-L1941 HydrophobicContact CZ-CG 4.34Å; F1939-A1944 HydrophobicContact CZ-CB 4.23Å
1940	D	76.6	Confident	78.8	Confident	38.4 Å²	38.4	50.1 Å²	50.1	21%	0.205	25%	0.253	C	S	.	.			trans	-154.4	110.9	-175.5	171	14.5	0	0	0	108.9	N1942 K1943	D1940-N1942 PolarHBondContact O-N 3.07Å; D1940-N1942 VanDerWaalsContact O-N 3.13Å; D1940-N1942 VanDerWaalsContact OD1-CB 3.26Å; D1940-N1942 WeakPolarHBondContact OD1-CB 3.4Å; D1940-N1942 PolarHBondContact OD1-N 2.96Å; D1940-N1942 VanDerWaalsContact OD1-N 3.08Å; D1940-N1942 PolarHBondContact OD1-ND2 3.01Å; D1940-K1943 HydrophobicContact CB-CD 4.41Å; D1940-K1943 HydrophobicContact CB-CG 4.42Å; D1940-K1943 WeakPolarHBondContact O-CB 3.48Å; D1940-K1943 PolarHBondContact O-N 3.08Å; D1940-K1943 VanDerWaalsContact O-N 3.13Å; D1940-K1943 WeakPolarHBondContact OD2-CE 3.45Å; D1940-K1943 IonicContact OD2-NZ 2.8Å; D1940-K1943 PolarHBondContact OD2-NZ 3.19Å
1941	L	79.7	Confident	79.8	Confident	5.2 Å²	5.2	48.1 Å²	48.1	3%	0.027	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-62.8	-20.6	-177.2	-121.7	116.5	0	0	0	113	I1670 Y1672 M1852 F1901 F1903 F1939 K1943 A1944 L2485	I1670-L1941 HydrophobicContact CB-CD1 3.86Å; I1670-L1941 HydrophobicContact CD1-CD1 3.73Å; I1670-L1941 HydrophobicContact CG1-CD1 3.73Å; I1670-L1941 HydrophobicContact CG2-CB 4.44Å; I1670-L1941 HydrophobicContact CG2-CD1 3.7Å; I1670-L1941 HydrophobicContact CG2-CG 3.68Å; I1670-L1941 WeakPolarHBondContact O-CB 3.38Å; I1670-L1941 VanDerWaalsContact O-CD1 3.29Å; I1670-L1941 WeakPolarHBondContact O-CD1 3.27Å; I1670-L1941 PolarHBondContact O-N 2.98Å; Y1672-L1941 HydrophobicContact CD2-CD1 3.81Å; Y1672-L1941 HydrophobicContact CD2-CD2 3.57Å; Y1672-L1941 HydrophobicContact CE2-CD1 4.45Å; Y1672-L1941 HydrophobicContact CE2-CD2 3.95Å; Y1672-L1941 HydrophobicContact CG-CD1 4.14Å; Y1672-L1941 HydrophobicContact CG-CD2 3.73Å; M1852-L1941 HydrophobicContact CE-CD1 3.87Å; M1852-L1941 HydrophobicContact CE-CD2 4.07Å; M1852-L1941 HydrophobicContact CE-CG 4.14Å; F1901-L1941 HydrophobicContact CB-CD2 4.2Å; F1901-L1941 HydrophobicContact CD1-CD1 3.89Å; F1901-L1941 HydrophobicContact CD1-CD2 3.77Å; F1901-L1941 HydrophobicContact CD1-CG 4.46Å; F1901-L1941 HydrophobicContact CD2-CD1 4.14Å; F1901-L1941 HydrophobicContact CD2-CD2 4.01Å; F1901-L1941 HydrophobicContact CE1-CD1 3.95Å; F1901-L1941 HydrophobicContact CE1-CD2 3.98Å; F1901-L1941 VanDerWaalsContact CE1-CD2 3.41Å; F1901-L1941 HydrophobicContact CE1-CG 4.19Å; F1901-L1941 HydrophobicContact CE2-CD1 4.21Å; F1901-L1941 HydrophobicContact CE2-CD2 3.98Å; F1901-L1941 HydrophobicContact CG-CD1 3.97Å; F1901-L1941 HydrophobicContact CG-CD2 3.91Å; F1901-L1941 HydrophobicContact CZ-CD1 4.1Å; F1901-L1941 HydrophobicContact CZ-CD2 3.94Å; F1901-L1941 HydrophobicContact CZ-CG 4.39Å; F1903-L1941 HydrophobicContact CZ-CD1 4.12Å; F1903-L1941 HydrophobicContact CZ-CD2 4.4Å; F1939-L1941 HydrophobicContact CE1-CB 4.22Å; F1939-L1941 HydrophobicContact CE1-CD1 4.11Å; F1939-L1941 HydrophobicContact CE1-CD2 3.59Å; F1939-L1941 HydrophobicContact CE1-CG 4.01Å; F1939-L1941 HydrophobicContact CZ-CD1 4.22Å; F1939-L1941 HydrophobicContact CZ-CD2 3.85Å; F1939-L1941 HydrophobicContact CZ-CG 4.34Å; L1941-K1943 PolarHBondContact O-N 3.16Å; L1941-K1943 VanDerWaalsContact O-N 3.11Å; L1941-A1944 HydrophobicContact CD1-CB 4Å; L1941-A1944 HydrophobicContact CD2-CB 4.12Å; L1941-A1944 HydrophobicContact CG-CB 4.47Å; L1941-A1944 WeakPolarHBondContact O-CB 3.38Å; L1941-A1944 PolarHBondContact O-N 3.09Å; L1941-L2485 HydrophobicContact CD2-CD1 4.32Å; L1941-L2485 HydrophobicContact CG-CD2 4.31Å; L1941-L2485 WeakPolarHBondContact O-CD2 3.35Å
1942	N	74.8	Confident	80.9	Confident	70.2 Å²	70.2	47.7 Å²	47.7	38%	0.375	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-68.2	-9.7	177.3	-58.9	-79.2	0	0	0	113.3	D1940 R2480	D1940-N1942 PolarHBondContact O-N 3.07Å; D1940-N1942 VanDerWaalsContact O-N 3.13Å; D1940-N1942 VanDerWaalsContact OD1-CB 3.26Å; D1940-N1942 WeakPolarHBondContact OD1-CB 3.4Å; D1940-N1942 PolarHBondContact OD1-N 2.96Å; D1940-N1942 VanDerWaalsContact OD1-N 3.08Å; D1940-N1942 PolarHBondContact OD1-ND2 3.01Å; N1942-R2480 VanDerWaalsContact O-CZ 3.32Å; N1942-R2480 PolarHBondContact O-NH1 3.15Å; N1942-R2480 PolarHBondContact O-NH2 3.07Å; N1942-R2480 WeakPolarHBondContact OD1-CD 3.49Å; N1942-R2480 VanDerWaalsContact OD1-CG 3.27Å; N1942-R2480 WeakPolarHBondContact OD1-CG 3.3Å
1943	K	76.2	Confident	81.8	Confident	147.8 Å²	147.8	48.7 Å²	48.7	64%	0.643	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-101.2	0.3	173.5	-55.5	-176.6	-178.6	87.3	0	113.2	D1940 L1941	D1940-K1943 HydrophobicContact CB-CD 4.41Å; D1940-K1943 HydrophobicContact CB-CG 4.42Å; D1940-K1943 WeakPolarHBondContact O-CB 3.48Å; D1940-K1943 PolarHBondContact O-N 3.08Å; D1940-K1943 VanDerWaalsContact O-N 3.13Å; D1940-K1943 WeakPolarHBondContact OD2-CE 3.45Å; D1940-K1943 IonicContact OD2-NZ 2.8Å; D1940-K1943 PolarHBondContact OD2-NZ 3.19Å; L1941-K1943 PolarHBondContact O-N 3.16Å; L1941-K1943 VanDerWaalsContact O-N 3.11Å
1944	A	81.8	Confident	82.8	Confident	15.4 Å²	15.4	45 Å²	45	13%	0.127	23%	0.233	C	C	.	.			trans	-85.1	158.7	179.8	0	0	0	0	0	112.3	F1901 F1903 F1939 L1941	F1901-A1944 HydrophobicContact CB-CB 4.12Å; F1901-A1944 HydrophobicContact CD1-CB 3.86Å; F1901-A1944 HydrophobicContact CG-CB 4.31Å; F1903-A1944 HydrophobicContact CB-CB 4.27Å; F1903-A1944 HydrophobicContact CD1-CB 4.13Å; F1903-A1944 VanDerWaalsContact CE1-CA 3.42Å; F1903-A1944 HydrophobicContact CE1-CB 3.27Å; F1903-A1944 HydrophobicContact CE2-CB 4.3Å; F1903-A1944 HydrophobicContact CZ-CB 3.55Å; F1939-A1944 HydrophobicContact CZ-CB 4.23Å; L1941-A1944 HydrophobicContact CD1-CB 4Å; L1941-A1944 HydrophobicContact CD2-CB 4.12Å; L1941-A1944 HydrophobicContact CG-CB 4.47Å; L1941-A1944 WeakPolarHBondContact O-CB 3.38Å; L1941-A1944 PolarHBondContact O-N 3.09Å
1945	V	86.1	Confident	83.6	Confident	35.6 Å²	35.6	41.1 Å²	41.1	22%	0.216	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.3	165.3	-175.7	0	0	0	0	109.3	F1901 V1902 I1947 I2021 D2345 L2346	F1901-V1945 CarbonylContact C-O 3.42Å; F1901-V1945 VanDerWaalsContact CA-O 3.3Å; F1901-V1945 WeakPolarHBondContact CA-O 3.4Å; V1902-V1945 PolarHBondContact N-O 3.03Å; V1902-V1945 PolarHBondContact O-N 3.08Å; V1902-V1945 VanDerWaalsContact O-N 3.09Å; V1945-I1947 PolarHBondContact O-N 3.16Å; V1945-I2021 HydrophobicContact CB-CD1 4.08Å; V1945-I2021 HydrophobicContact CG1-CD1 3.58Å; V1945-I2021 VanDerWaalsContact CG1-CD1 3.47Å; V1945-D2345 HydrophobicContact CG1-CB 4.01Å; V1945-D2345 HydrophobicContact CG2-CB 4.24Å; V1945-L2346 HydrophobicContact CG2-CD2 4.24Å
1946	C	88.6	Confident	84.2	Confident	15.8 Å²	15.8	41.4 Å²	41.4	11%	0.107	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	118.2	172.9	-174.1	0	0	0	0	110.2	I1900 F1901 T1948 Y2486	I1900-C1946 WeakPolarHBondContact O-CA 3.12Å; F1901-C1946 HydrophobicContact CD1-CB 3.87Å; F1901-C1946 HydrophobicContact CE1-CB 3.77Å; F1901-C1946 HydrophobicContact CZ-CB 4.34Å; C1946-T1948 PolarHBondContact SG-O 2.98Å; C1946-Y2486 HydrophobicContact CB-CD1 4.31Å
1947	I	89.6	Confident	84.8	Confident	4.6 Å²	4.6	41.6 Å²	41.6	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-41.5	179	-63	-176.9	0	0	0	110.9	F1851 I1900 V1902 V1945 I2015 N2016 T2017 I2021 L2025	F1851-I1947 HydrophobicContact CE1-CD1 4.47Å; I1900-I1947 PolarHBondContact O-N 3.24Å; V1902-I1947 HydrophobicContact CB-CD1 3.86Å; V1902-I1947 HydrophobicContact CB-CG1 4.46Å; V1902-I1947 HydrophobicContact CG2-CD1 3.38Å; V1902-I1947 VanDerWaalsContact CG2-CD1 3.44Å; V1902-I1947 HydrophobicContact CG2-CG1 4.37Å; V1945-I1947 PolarHBondContact O-N 3.16Å; I1947-I2015 CarbonylContact O-C 3.57Å; I1947-I2015 WeakPolarHBondContact O-CA 3.43Å; I1947-N2016 PolarHBondContact O-N 3.11Å; I1947-T2017 HydrophobicContact CG2-CG2 4.46Å; I1947-I2021 HydrophobicContact CB-CG2 4.37Å; I1947-I2021 HydrophobicContact CD1-CD1 4.37Å; I1947-I2021 HydrophobicContact CD1-CG2 3.76Å; I1947-I2021 HydrophobicContact CG1-CD1 4.09Å; I1947-I2021 HydrophobicContact CG1-CG2 3.79Å; I1947-I2021 HydrophobicContact CG2-CG2 3.93Å; I1947-L2025 HydrophobicContact CG2-CD1 4.19Å; I1947-L2025 HydrophobicContact CG2-CD2 4.22Å; I1947-L2025 HydrophobicContact CG2-CG 4.44Å
1948	T	90.8	Very high	85.3	Confident	17.6 Å²	17.6	37.5 Å²	37.5	11%	0.108	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	145.7	-178.1	162	0	0	0	0	111.5	A1899 I1900 C1946 L2013 K2014 I2015	A1899-T1948 CarbonylContact C-O 3.46Å; A1899-T1948 VanDerWaalsContact CA-O 3.26Å; A1899-T1948 WeakPolarHBondContact CA-O 3.29Å; A1899-T1948 WeakPolarHBondContact CB-O 3.42Å; I1900-T1948 HydrophobicContact CB-CG2 3.73Å; I1900-T1948 WeakPolarHBondContact CB-OG1 3.12Å; I1900-T1948 HydrophobicContact CD1-CG2 3.73Å; I1900-T1948 WeakPolarHBondContact CD1-OG1 3.39Å; I1900-T1948 HydrophobicContact CG1-CG2 3.72Å; I1900-T1948 VanDerWaalsContact CG1-OG1 3.31Å; I1900-T1948 WeakPolarHBondContact CG1-OG1 3.44Å; I1900-T1948 PolarHBondContact N-O 2.97Å; I1900-T1948 PolarHBondContact O-N 2.8Å; C1946-T1948 PolarHBondContact SG-O 2.98Å; T1948-L2013 VanDerWaalsContact OG1-CD1 3.28Å; T1948-L2013 WeakPolarHBondContact OG1-CD1 3.28Å; T1948-K2014 CarbonylContact C-O 3.44Å; T1948-K2014 WeakPolarHBondContact CA-O 3.33Å; T1948-K2014 VanDerWaalsContact CB-O 3.26Å; T1948-K2014 WeakPolarHBondContact CB-O 3.4Å; T1948-K2014 PolarHBondContact OG1-O 2.99Å; T1948-K2014 VanDerWaalsContact OG1-O 3.05Å; T1948-I2015 HydrophobicContact CG2-CB 4.37Å; T1948-I2015 HydrophobicContact CG2-CG1 3.97Å; T1948-I2015 HydrophobicContact CG2-CG2 4.21Å
1949	S	91.1	Very high	85.7	Confident	14.4 Å²	14.4	34.2 Å²	34.2	10%	0.101	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.9	172.7	65	0	0	0	0	110.8	L1898 K2014 Y2486	L1898-S1949 CarbonylContact O-C 3.55Å; L1898-S1949 VanDerWaalsContact O-CA 3.3Å; L1898-S1949 WeakPolarHBondContact O-CA 3.24Å; S1949-K2014 PolarHBondContact N-O 2.98Å; S1949-K2014 PolarHBondContact O-N 3.08Å; S1949-Y2486 VanDerWaalsContact CB-CD2 3.45Å
1950	L	90.8	Very high	85.6	Confident	16.2 Å²	16.2	36.3 Å²	36.3	9%	0.085	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	110.5	-173.2	173.6	66.6	0	0	0	108.5	I1895 N1897 L1898 L1953 N2010 L2013	I1895-L1950 HydrophobicContact CG2-CD2 4.39Å; N1897-L1950 CarbonylContact C-O 3.54Å; N1897-L1950 VanDerWaalsContact CA-O 3.29Å; N1897-L1950 WeakPolarHBondContact CA-O 3.3Å; N1897-L1950 PolarHBondContact N-O 3.39Å; L1898-L1950 HydrophobicContact CB-CB 4.25Å; L1898-L1950 HydrophobicContact CB-CD2 4.37Å; L1898-L1950 HydrophobicContact CD2-CB 4.26Å; L1898-L1950 HydrophobicContact CD2-CD2 4.19Å; L1898-L1950 PolarHBondContact N-O 2.88Å; L1898-L1950 PolarHBondContact O-N 3.25Å; L1950-L1953 HydrophobicContact CD1-CB 4.32Å; L1950-L1953 HydrophobicContact CD1-CD1 4.49Å; L1950-L1953 HydrophobicContact CD2-CB 3.89Å; L1950-L1953 HydrophobicContact CD2-CD1 4.16Å; L1950-L1953 HydrophobicContact CD2-CD2 4.1Å; L1950-L1953 HydrophobicContact CD2-CG 4.43Å; L1950-L1953 HydrophobicContact CG-CB 4.29Å; L1950-N2010 HydrophobicContact CD1-CB 4.02Å; L1950-N2010 WeakPolarHBondContact CD1-ND2 3.36Å; L1950-N2010 WeakPolarHBondContact CD1-OD1 3.27Å; L1950-L2013 HydrophobicContact CB-CD1 4.15Å; L1950-L2013 HydrophobicContact CD1-CB 4.25Å; L1950-L2013 HydrophobicContact CD1-CD1 4.25Å
1951	D	87.8	Confident	85.2	Confident	58 Å²	58	36.5 Å²	36.5	31%	0.31	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-48.6	-171.3	-79.9	8.2	0	0	0	111.6	N1896 N1897 L2012 K2014	N1896-D1951 CarbonylContact C-O 3.57Å; N1896-D1951 WeakPolarHBondContact CA-O 3.23Å; N1897-D1951 PolarHBondContact N-O 3.14Å; N1897-D1951 PolarHBondContact OD1-O 3.05Å; D1951-L2012 HydrophobicContact CB-CB 4.4Å; D1951-L2012 PolarHBondContact N-O 3.06Å; D1951-K2014 IonicContact OD1-NZ 3.17Å; D1951-K2014 PolarHBondContact OD1-NZ 3.26Å; D1951-K2014 IonicContact OD2-NZ 2.77Å; D1951-K2014 PolarHBondContact OD2-NZ 3.3Å
1952	H	89.9	Confident	84.5	Confident	41.4 Å²	41.4	38.5 Å²	38.5	19%	0.192	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	140.8	175.9	179.6	71.4	0	0	0	110.8	F1894 I1895 N1896 N2010 N2011	F1894-H1952 AromaticContact CD1-CE1 3.93Å; I1895-H1952 CarbonylContact O-C 3.43Å; I1895-H1952 VanDerWaalsContact O-CA 3.28Å; I1895-H1952 WeakPolarHBondContact O-CA 3.29Å; N1896-H1952 PolarHBondContact OD1-ND1 3.14Å; H1952-N2010 CarbonylContact O-C 3.59Å; H1952-N2010 VanDerWaalsContact O-CA 3.31Å; H1952-N2010 WeakPolarHBondContact O-CA 3.36Å; H1952-N2010 VanDerWaalsContact O-CB 3.25Å; H1952-N2010 WeakPolarHBondContact O-CB 3.37Å; H1952-N2010 PolarHBondContact O-OD1 3.05Å; H1952-N2011 HydrophobicContact CB-CB 4.24Å; H1952-N2011 WeakPolarHBondContact CB-ND2 3.34Å; H1952-N2011 PolarHBondContact CD2-OD1 3.02Å; H1952-N2011 PolarHBondContact O-N 3.06Å
1953	L	91.7	Very high	83.9	Confident	34.4 Å²	34.4	39.9 Å²	39.9	18%	0.18	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	132.8	173.4	174.1	115.1	0	0	0	110.2	F1894 I1895 L1950 L1955 I2008 T2009 N2010	F1894-L1953 CarbonylContact C-O 3.56Å; F1894-L1953 WeakPolarHBondContact CA-O 3.35Å; I1895-L1953 HydrophobicContact CB-CB 4.32Å; I1895-L1953 HydrophobicContact CB-CD2 4.39Å; I1895-L1953 HydrophobicContact CD1-CD2 4.11Å; I1895-L1953 HydrophobicContact CG1-CD2 4.34Å; I1895-L1953 PolarHBondContact N-O 3.07Å; I1895-L1953 PolarHBondContact O-N 3.05Å; L1950-L1953 HydrophobicContact CD1-CB 4.32Å; L1950-L1953 HydrophobicContact CD1-CD1 4.49Å; L1950-L1953 HydrophobicContact CD2-CB 3.89Å; L1950-L1953 HydrophobicContact CD2-CD1 4.16Å; L1950-L1953 HydrophobicContact CD2-CD2 4.1Å; L1950-L1953 HydrophobicContact CD2-CG 4.43Å; L1950-L1953 HydrophobicContact CG-CB 4.29Å; L1953-L1955 HydrophobicContact CD2-CB 4.31Å; L1953-I2008 HydrophobicContact CD1-CG2 3.67Å; L1953-I2008 HydrophobicContact CG-CG2 4.18Å; L1953-T2009 WeakPolarHBondContact CA-O 3.34Å; L1953-T2009 WeakPolarHBondContact CG-O 3.08Å; L1953-N2010 HydrophobicContact CB-CB 4.34Å; L1953-N2010 HydrophobicContact CD1-CB 4.03Å
1954	E	92.1	Very high	83	Confident	23.8 Å²	23.8	34.5 Å²	34.5	11%	0.111	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.1	170.7	175.5	-171	-134.1	0	0	109.1	A1893 F1894 K1956 I2008 T2009 Y2332	A1893-E1954 CarbonylContact O-C 3.55Å; A1893-E1954 WeakPolarHBondContact O-CA 3.32Å; F1894-E1954 HydrophobicContact CD1-CB 4.06Å; F1894-E1954 HydrophobicContact CD1-CG 3.97Å; F1894-E1954 HydrophobicContact CE1-CB 4.17Å; F1894-E1954 HydrophobicContact CE1-CG 3.63Å; F1894-E1954 WeakPolarHBondContact CE1-OE1 3.37Å; F1894-E1954 HydrophobicContact CZ-CG 4.38Å; E1954-K1956 HydrophobicContact CG-CG 4.42Å; E1954-K1956 WeakPolarHBondContact OE1-CE 3.35Å; E1954-K1956 IonicContact OE1-NZ 2.81Å; E1954-K1956 PolarHBondContact OE1-NZ 3.13Å; E1954-K1956 WeakPolarHBondContact OE2-CE 3.4Å; E1954-K1956 IonicContact OE2-NZ 3.46Å; E1954-K1956 PolarHBondContact OE2-NZ 3.03Å; E1954-K1956 VanDerWaalsContact OE2-NZ 3.11Å; E1954-I2008 CarbonylContact O-C 3.57Å; E1954-I2008 VanDerWaalsContact O-CA 3.31Å; E1954-I2008 WeakPolarHBondContact O-CA 3.3Å; E1954-T2009 HydrophobicContact CB-CG2 3.74Å; E1954-T2009 WeakPolarHBondContact CB-OG1 3.36Å; E1954-T2009 HydrophobicContact CG-CG2 4.37Å; E1954-T2009 PolarHBondContact N-O 2.99Å; E1954-T2009 VanDerWaalsContact N-O 3.14Å; E1954-T2009 PolarHBondContact O-N 3.07Å; E1954-T2009 WeakPolarHBondContact OE2-CG2 3.34Å; E1954-Y2332 PolarHBondContact OE2-OH 2.83Å
1955	L	91	Very high	81.5	Confident	40 Å²	40	38.1 Å²	38.1	21%	0.209	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.6	177.9	167	68.6	0	0	0	108.9	M1892 A1893 L1953 M2006 R2007 I2008	M1892-L1955 CarbonylContact C-O 3.52Å; M1892-L1955 VanDerWaalsContact CA-O 3.27Å; M1892-L1955 WeakPolarHBondContact CA-O 3.37Å; A1893-L1955 HydrophobicContact CB-CB 4.22Å; A1893-L1955 HydrophobicContact CB-CD2 4.27Å; A1893-L1955 HydrophobicContact CB-CG 4.46Å; A1893-L1955 PolarHBondContact N-O 3.01Å; A1893-L1955 PolarHBondContact O-N 3.07Å; L1953-L1955 HydrophobicContact CD2-CB 4.31Å; L1955-M2006 HydrophobicContact CD1-CG 3.57Å; L1955-M2006 HydrophobicContact CD1-SD 3.79Å; L1955-R2007 CarbonylContact C-O 3.54Å; L1955-R2007 WeakPolarHBondContact CA-O 3.3Å; L1955-I2008 HydrophobicContact CD1-CD1 4.2Å; L1955-I2008 HydrophobicContact CD1-CG1 3.68Å
1956	K	89.7	Confident	79.6	Confident	36.4 Å²	36.4	40.8 Å²	40.8	16%	0.158	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.7	173.6	-44.6	-171	-178.9	177.6	0	108.8	V1891 M1892 E1954 F1958 M2006 R2007 Y2332	V1891-K1956 CarbonylContact O-C 3.54Å; V1891-K1956 WeakPolarHBondContact O-CA 3.35Å; M1892-K1956 HydrophobicContact CE-CB 4.46Å; M1892-K1956 HydrophobicContact CE-CD 3.74Å; M1892-K1956 HydrophobicContact CE-CG 3.86Å; M1892-K1956 HydrophobicContact CG-CG 4.24Å; M1892-K1956 HydrophobicContact SD-CB 3.78Å; M1892-K1956 HydrophobicContact SD-CD 3.7Å; M1892-K1956 HydrophobicContact SD-CG 3.72Å; M1892-K1956 VanDerWaalsContact SD-CG 3.55Å; E1954-K1956 HydrophobicContact CG-CG 4.42Å; E1954-K1956 WeakPolarHBondContact OE1-CE 3.35Å; E1954-K1956 IonicContact OE1-NZ 2.81Å; E1954-K1956 PolarHBondContact OE1-NZ 3.13Å; E1954-K1956 WeakPolarHBondContact OE2-CE 3.4Å; E1954-K1956 IonicContact OE2-NZ 3.46Å; E1954-K1956 PolarHBondContact OE2-NZ 3.03Å; E1954-K1956 VanDerWaalsContact OE2-NZ 3.11Å; K1956-F1958 HydrophobicContact CB-CE2 3.85Å; K1956-F1958 HydrophobicContact CB-CZ 4.27Å; K1956-F1958 HydrophobicContact CD-CZ 4.47Å; K1956-M2006 CarbonylContact O-C 3.51Å; K1956-M2006 WeakPolarHBondContact O-CA 3.24Å; K1956-R2007 HydrophobicContact CB-CB 4.4Å; K1956-R2007 PolarHBondContact N-O 3.06Å; K1956-R2007 PolarHBondContact O-N 2.97Å; K1956-Y2332 WeakPolarHBondContact CE-OH 3.34Å
1957	C	87.8	Confident	77.3	Confident	22.6 Å²	22.6	44.4 Å²	44.4	15%	0.153	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.3	173.7	-95.1	0	0	0	0	109.7	L1890 V1891 F2004 D2005	L1890-C1957 WeakPolarHBondContact CA-O 3.48Å; V1891-C1957 HydrophobicContact CB-CB 4.18Å; V1891-C1957 PolarHBondContact N-O 3.04Å; V1891-C1957 PolarHBondContact O-N 3.08Å; C1957-F2004 HydrophobicContact CB-CE2 3.84Å; C1957-F2004 HydrophobicContact CB-CZ 3.84Å; C1957-D2005 CarbonylContact C-O 3.48Å; C1957-D2005 WeakPolarHBondContact CA-O 3.37Å
1958	F	85.4	Confident	75	Confident	51.2 Å²	51.2	47.8 Å²	47.8	23%	0.225	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.3	176.1	-53.7	-96.9	0	0	0	108.7	L1890 K1956 F2004 D2005 R2007 L2105	L1890-F1958 HydrophobicContact CD1-CD1 3.75Å; L1890-F1958 HydrophobicContact CD1-CE1 3.56Å; L1890-F1958 VanDerWaalsContact CD1-CE1 3.47Å; L1890-F1958 HydrophobicContact CD1-CG 4.33Å; L1890-F1958 HydrophobicContact CD1-CZ 4.13Å; L1890-F1958 HydrophobicContact CG-CD1 4.33Å; L1890-F1958 HydrophobicContact CG-CE1 4.25Å; K1956-F1958 HydrophobicContact CB-CE2 3.85Å; K1956-F1958 HydrophobicContact CB-CZ 4.27Å; K1956-F1958 HydrophobicContact CD-CZ 4.47Å; F1958-F2004 CarbonylContact O-C 3.52Å; F1958-F2004 VanDerWaalsContact O-CA 3.31Å; F1958-F2004 WeakPolarHBondContact O-CA 3.32Å; F1958-D2005 HydrophobicContact CB-CB 4.35Å; F1958-D2005 HydrophobicContact CD2-CB 4.32Å; F1958-D2005 WeakPolarHBondContact CD2-O 3.34Å; F1958-D2005 PolarHBondContact N-O 2.98Å; F1958-D2005 PolarHBondContact O-N 3.23Å; F1958-R2007 HydrophobicContact CE2-CG 4.32Å; F1958-L2105 HydrophobicContact CD1-CD1 4.21Å; F1958-L2105 HydrophobicContact CE1-CD1 4.42Å
1959	S	82.6	Confident	72.5	Confident	12.4 Å²	12.4	52.1 Å²	52.1	9%	0.087	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.3	173	-177.2	0	0	0	0	109.4	G1888 M1889 N2002 R2003	G1888-S1959 WeakPolarHBondContact CA-O 3.29Å; M1889-S1959 PolarHBondContact N-O 3.03Å; M1889-S1959 WeakPolarHBondContact O-CB 3.49Å; M1889-S1959 PolarHBondContact O-N 3.19Å; S1959-N2002 PolarHBondContact OG-ND2 3.29Å; S1959-R2003 CarbonylContact C-O 3.58Å; S1959-R2003 VanDerWaalsContact CA-O 3.26Å; S1959-R2003 WeakPolarHBondContact CA-O 3.35Å
1960	E	73.2	Confident	69.8	Low	60.4 Å²	60.4	58.9 Å²	58.9	28%	0.282	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.4	176.4	-126.2	175.7	-154.6	0	0	110.3	I1962 N2002 R2003 R2324	E1960-I1962 HydrophobicContact CG-CD1 4.4Å; E1960-I1962 HydrophobicContact CG-CG1 4.28Å; E1960-I1962 PolarHBondContact O-N 3.4Å; E1960-N2002 CarbonylContact O-C 3.5Å; E1960-N2002 WeakPolarHBondContact O-CA 3.28Å; E1960-R2003 HydrophobicContact CB-CB 4.26Å; E1960-R2003 HydrophobicContact CG-CB 3.94Å; E1960-R2003 HydrophobicContact CG-CG 4.48Å; E1960-R2003 PolarHBondContact N-O 3.31Å; E1960-R2003 VanDerWaalsContact N-O 3.1Å; E1960-R2003 PolarHBondContact O-N 3.21Å; E1960-R2003 WeakPolarHBondContact OE1-CD 3.5Å; E1960-R2003 IonicContact OE1-CZ 3.57Å; E1960-R2003 IonicContact OE1-NE 3.23Å; E1960-R2003 IonicContact OE1-NH1 3.64Å; E1960-R2003 PolarHBondContact OE1-NH1 3.04Å; E1960-R2003 VanDerWaalsContact OE1-NH1 3.07Å; E1960-R2003 IonicContact OE2-NH1 3.26Å; E1960-R2324 IonicContact OE1-CZ 2.78Å; E1960-R2324 IonicContact OE1-NE 2.65Å; E1960-R2324 PolarHBondContact OE1-NE 2.81Å; E1960-R2324 IonicContact OE1-NH1 2.8Å; E1960-R2324 PolarHBondContact OE1-NH1 2.9Å; E1960-R2324 IonicContact OE1-NH2 3.17Å; E1960-R2324 PolarHBondContact OE1-NH2 2.9Å; E1960-R2324 IonicContact OE2-CZ 3.62Å; E1960-R2324 IonicContact OE2-NH1 3.06Å; E1960-R2324 PolarHBondContact OE2-NH1 3.02Å; E1960-R2324 IonicContact OE2-NH2 3.3Å; E1960-R2324 PolarHBondContact OE2-NH2 3.03Å
1961	P	68.5	Low	67.1	Low	44 Å²	44	62.7 Å²	62.7	29%	0.286	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.9	172.9	28.3	-33.6	0	0	0	110.9	V1885 Q1886 I2000 N2002	V1885-P1961 HydrophobicContact CG1-CB 3.91Å; V1885-P1961 HydrophobicContact CG1-CG 3.99Å; Q1886-P1961 WeakPolarHBondContact O-CG 3.31Å; P1961-I2000 HydrophobicContact CB-CG2 4.12Å; P1961-N2002 VanDerWaalsContact CA-OD1 3.27Å; P1961-N2002 WeakPolarHBondContact CA-OD1 3.32Å
1962	I	65.8	Low	64.6	Low	45.4 Å²	45.4	65.2 Å²	65.2	23%	0.233	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128	176.7	-59.9	-171.4	0	0	0	109.6	E1960 V1964 I2000 T2001 R2003	E1960-I1962 HydrophobicContact CG-CD1 4.4Å; E1960-I1962 HydrophobicContact CG-CG1 4.28Å; E1960-I1962 PolarHBondContact O-N 3.4Å; I1962-V1964 HydrophobicContact CG2-CG2 4.36Å; I1962-V1964 PolarHBondContact O-N 3.13Å; I1962-I2000 WeakPolarHBondContact O-CA 3.35Å; I1962-T2001 WeakPolarHBondContact CA-O 3.36Å; I1962-T2001 WeakPolarHBondContact CB-O 3.35Å; I1962-T2001 PolarHBondContact N-O 2.98Å; I1962-T2001 PolarHBondContact O-N 3.05Å; I1962-T2001 VanDerWaalsContact O-O 3.06Å; I1962-T2001 PolarHBondContact O-OG1 3.14Å; I1962-R2003 HydrophobicContact CD1-CB 3.59Å; I1962-R2003 HydrophobicContact CD1-CG 4.27Å; I1962-R2003 HydrophobicContact CG1-CB 4.14Å
1963	I	62.3	Low	62.1	Low	101.4 Å²	101.4	68.2 Å²	68.2	52%	0.52	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	116.7	172.2	-56.7	175.4	0	0	0	108.9	I1871 T1965 P1998 I2000	I1871-I1963 HydrophobicContact CD1-CD1 4.02Å; I1963-T1965 HydrophobicContact CG2-CG2 4.48Å; I1963-T1965 PolarHBondContact O-N 3.26Å; I1963-P1998 HydrophobicContact CG2-CB 3.91Å; I1963-P1998 HydrophobicContact CG2-CG 4.4Å; I1963-I2000 HydrophobicContact CG1-CG1 4.38Å
1964	V	56.8	Low	59.4	Low	33 Å²	33	71.9 Å²	71.9	20%	0.2	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.3	173.8	175	0	0	0	0	109.3	I1962 N1966 P1998 T1999 T2001 Y2670	I1962-V1964 HydrophobicContact CG2-CG2 4.36Å; I1962-V1964 PolarHBondContact O-N 3.13Å; V1964-N1966 WeakPolarHBondContact CG1-OD1 3.46Å; V1964-N1966 PolarHBondContact O-N 3.12Å; V1964-P1998 CarbonylContact O-C 3.18Å; V1964-T1999 WeakPolarHBondContact CA-O 3.18Å; V1964-T1999 VanDerWaalsContact CB-O 3.32Å; V1964-T1999 WeakPolarHBondContact CB-O 3.25Å; V1964-T1999 PolarHBondContact N-O 3.17Å; V1964-T1999 PolarHBondContact O-N 3.11Å; V1964-T1999 PolarHBondContact O-OG1 2.85Å; V1964-T2001 HydrophobicContact CB-CG2 4.45Å; V1964-T2001 HydrophobicContact CG2-CG2 3.95Å; V1964-T2001 WeakPolarHBondContact CG2-OG1 3.18Å; V1964-Y2670 HydrophobicContact CG1-CD2 4.41Å; V1964-Y2670 HydrophobicContact CG1-CE1 4.06Å; V1964-Y2670 HydrophobicContact CG1-CE2 3.6Å; V1964-Y2670 WeakPolarHBondContact CG1-OH 3.04Å
1965	T	50.9	Low	56.6	Low	92.4 Å²	92.4	75.3 Å²	75.3	57%	0.567	46%	0.459	S	S	*	.			trans	-93.3	111.2	174.9	48.1	0	0	0	0	109.9	I1963 T1967 P1998	I1963-T1965 HydrophobicContact CG2-CG2 4.48Å; I1963-T1965 PolarHBondContact O-N 3.26Å; T1965-T1967 VanDerWaalsContact C-N 3.32Å; T1965-T1967 PolarHBondContact O-N 2.99Å; T1965-P1998 HydrophobicContact CG2-CB 4.41Å
1966	N	45.6	Very low	54.1	Low	91 Å²	91	79.6 Å²	79.6	49%	0.487	48%	0.482	S	S	.	.			trans	-83.3	107.7	175.5	-78	-17.5	0	0	0	110.7	V1964 A1968 T1999 Y2670	V1964-N1966 WeakPolarHBondContact CG1-OD1 3.46Å; V1964-N1966 PolarHBondContact O-N 3.12Å; N1966-A1968 PolarHBondContact O-N 3.32Å; N1966-T1999 PolarHBondContact ND2-OG1 3.07Å; N1966-Y2670 WeakPolarHBondContact OD1-CD2 3.31Å; N1966-Y2670 WeakPolarHBondContact OD1-CE2 3.45Å
1967	T	40.4	Very low	51.7	Low	90.8 Å²	90.8	84.4 Å²	84.4	56%	0.557	51%	0.51	S	S	*	.			trans	-101.2	102.2	171.4	44.2	0	0	0	0	109.7	T1965 D1969 N2090 I2091 L2092	T1965-T1967 VanDerWaalsContact C-N 3.32Å; T1965-T1967 PolarHBondContact O-N 2.99Å; T1967-D1969 PolarHBondContact O-N 3.14Å; T1967-N2090 CarbonylContact O-C 3.57Å; T1967-N2090 PolarHBondContact O-N 2.77Å; T1967-I2091 CarbonylContact C-O 3.41Å; T1967-L2092 HydrophobicContact CG2-CB 3.49Å; T1967-L2092 VanDerWaalsContact CG2-CB 3.49Å; T1967-L2092 HydrophobicContact CG2-CD2 3.92Å; T1967-L2092 HydrophobicContact CG2-CG 4.33Å
1968	A	39.8	Very low	49.4	Very low	76.8 Å²	76.8	89.7 Å²	89.7	64%	0.635	54%	0.536	S	S	*	.			trans	-110.2	97.4	178.7	0	0	0	0	0	111.2	N1966 N1970 R2089 I2091	N1966-A1968 PolarHBondContact O-N 3.32Å; A1968-N1970 PolarHBondContact O-N 3.08Å; A1968-N1970 VanDerWaalsContact O-N 3.09Å; A1968-R2089 WeakPolarHBondContact CA-O 3.47Å; A1968-R2089 VanDerWaalsContact CB-O 3.22Å; A1968-R2089 WeakPolarHBondContact CB-O 3.29Å; A1968-I2091 CarbonylContact C-O 2.94Å; A1968-I2091 VanDerWaalsContact CA-O 3.23Å; A1968-I2091 WeakPolarHBondContact CA-O 3.36Å; A1968-I2091 PolarHBondContact N-O 3.06Å
1969	D	38.4	Very low	47.3	Very low	107.8 Å²	107.8	93 Å²	93	58%	0.576	56%	0.557	S	S	*	*			trans	-70.1	86.9	174.7	-73.2	-15.9	0	0	0	113.7	T1967 S1971 R2089 N2090 I2091	T1967-D1969 PolarHBondContact O-N 3.14Å; D1969-S1971 VanDerWaalsContact C-N 3.28Å; D1969-S1971 PolarHBondContact O-N 3.05Å; D1969-S1971 PolarHBondContact O-OG 3.12Å; D1969-R2089 HydrophobicContact CB-CB 3.47Å; D1969-R2089 VanDerWaalsContact CB-CB 3.47Å; D1969-R2089 HydrophobicContact CB-CG 3.6Å; D1969-R2089 VanDerWaalsContact CG-CG 3.5Å; D1969-R2089 WeakPolarHBondContact OD2-CD 3.2Å; D1969-R2089 VanDerWaalsContact OD2-CG 3.25Å; D1969-R2089 WeakPolarHBondContact OD2-CG 3.27Å; D1969-R2089 IonicContact OD2-CZ 2.68Å; D1969-R2089 IonicContact OD2-NE 3.86Å; D1969-R2089 IonicContact OD2-NH1 2.65Å; D1969-R2089 PolarHBondContact OD2-NH1 2.95Å; D1969-N2090 HydrophobicContact CB-CB 4.5Å; D1969-N2090 WeakPolarHBondContact OD1-CA 3.45Å; D1969-N2090 WeakPolarHBondContact OD1-CB 3.43Å; D1969-N2090 PolarHBondContact OD1-N 2.79Å; D1969-N2090 PolarHBondContact OD1-ND2 3.45Å; D1969-I2091 PolarHBondContact N-O 3.35Å; D1969-I2091 VanDerWaalsContact OD1-CB 3.27Å; D1969-I2091 WeakPolarHBondContact OD1-CB 3.35Å; D1969-I2091 WeakPolarHBondContact OD1-CD1 3.48Å; D1969-I2091 VanDerWaalsContact OD1-CG1 3.28Å; D1969-I2091 WeakPolarHBondContact OD1-CG1 3.47Å; D1969-I2091 PolarHBondContact OD1-N 3.22Å
1970	N	36	Very low	45.2	Very low	158.2 Å²	158.2	98.6 Å²	98.6	85%	0.846	59%	0.585	S	S	*	*			trans	-72	72.5	-179.2	-66.8	-38.8	0	0	0	112.9	A1968 S1972	A1968-N1970 PolarHBondContact O-N 3.08Å; A1968-N1970 VanDerWaalsContact O-N 3.09Å; N1970-S1972 PolarHBondContact O-N 3.19Å
1971	S	34.3	Very low	43.6	Very low	94.4 Å²	94.4	102.3 Å²	102.3	66%	0.66	61%	0.607	S	S	*	*			trans	-113.7	71.5	179.8	59.2	0	0	0	0	113.3	D1969	D1969-S1971 VanDerWaalsContact C-N 3.28Å; D1969-S1971 PolarHBondContact O-N 3.05Å; D1969-S1971 PolarHBondContact O-OG 3.12Å
1972	S	34.9	Very low	42.1	Very low	112.2 Å²	112.2	106.6 Å²	106.6	79%	0.785	63%	0.628	S	S	*	*			trans	-145.3	80.1	172.3	62.1	0	0	0	0	113.1	N1970	N1970-S1972 PolarHBondContact O-N 3.19Å
1973	S	36.7	Very low	40.7	Very low	104.6 Å²	104.6	111 Å²	111	73%	0.731	65%	0.65	S	S	*	*			trans	-90.4	122.9	169.5	55.4	0	0	0	0	115
1974	S	34.3	Very low	39.4	Very low	111.2 Å²	111.2	113.9 Å²	113.9	78%	0.778	66%	0.661	S	S	*	*			trans	39.7	137.7	139.6	114.4	0	0	0	0	118.4	Y2084	S1974-Y2084 PolarHBondContact O-OH 2.79Å
1975	S	35.2	Very low	38.4	Very low	95 Å²	95	119.9 Å²	119.9	66%	0.664	69%	0.687	S	S	*	*			trans	-169.7	133.1	137.3	-176.1	0	0	0	0	112.6	Y2084	S1975-Y2084 PolarHBondContact N-OH 3.43Å
1976	N	38.5	Very low	37.5	Very low	130.8 Å²	130.8	122.7 Å²	122.7	70%	0.699	70%	0.698	S	S	*	*			trans	152.7	126.6	147.4	-85.7	-16.7	0	0	0	115.5
1977	N	38.7	Very low	36.8	Very low	137.4 Å²	137.4	127.6 Å²	127.6	74%	0.735	72%	0.715	S	S	*	*			trans	68.8	126.8	132.8	-64.8	-6.7	0	0	0	118.7
1978	N	39.1	Very low	36.2	Very low	132.4 Å²	132.4	128.4 Å²	128.4	71%	0.708	73%	0.725	S	S	*	*				157	153.7	110	-84.6	19.1	0	0	0	116
1979	D	40.9	Very low	35.7	Very low	122.2 Å²	122.2	129.4 Å²	129.4	65%	0.653	73%	0.727	S	S	*	*				112.4	118.5	120.1	-73	-32.4	0	0	0	118.4
1980	N	39	Very low	35.3	Very low	128.8 Å²	128.8	133.7 Å²	133.7	69%	0.689	74%	0.741	S	S	*	*				74.3	129.9	115.3	-63.8	-37.3	0	0	0	120.3
1981	N	39.4	Very low	35	Very low	138.8 Å²	138.8	132.5 Å²	132.5	74%	0.742	73%	0.733	S	S	*	*			trans	99.6	147.6	137.8	-71.1	5.8	0	0	0	118.8
1982	D	37.5	Very low	34.7	Very low	133.4 Å²	133.4	137 Å²	137	71%	0.713	74%	0.737	S	S	*	*				108.2	114.5	111.3	-79.8	-27.1	0	0	0	119
1983	I	35.6	Very low	34.4	Very low	139 Å²	139	139.3 Å²	139.3	71%	0.713	74%	0.735	S	S	*	*			trans	31.8	122.4	138.9	-46.8	171	0	0	0	117.8
1984	H	36.4	Very low	34.1	Very low	160.8 Å²	160.8	141.5 Å²	141.5	74%	0.744	74%	0.739	S	S	*	*			trans	141.3	134.2	135	-93.4	-69	0	0	0	116.7	N1986	H1984-N1986 PolarHBondContact O-N 3.23Å
1985	H	34.5	Very low	34	Very low	159.4 Å²	159.4	141.5 Å²	141.5	74%	0.738	74%	0.739	S	S	*	*			trans	21.5	118.2	155.2	-69.5	-73.5	0	0	0	118.8	K1987	H1985-K1987 PolarHBondContact O-N 2.72Å
1986	N	32.6	Very low	34.2	Very low	151.2 Å²	151.2	141.7 Å²	141.7	81%	0.809	74%	0.736	S	S	*	*				-157	154.1	96.6	-96.4	-31.8	0	0	0	113.4	H1984	H1984-N1986 PolarHBondContact O-N 3.23Å
1987	K	30.7	Very low	34.4	Very low	194.4 Å²	194.4	141.2 Å²	141.2	85%	0.845	73%	0.732	S	S	*	*			trans	37.4	106.5	158	-136.4	-175.6	178.3	-178.9	0	116	H1985	H1985-K1987 PolarHBondContact O-N 2.72Å
1988	S	28.8	Very low	34.8	Very low	108.2 Å²	108.2	137.3 Å²	137.3	76%	0.757	71%	0.714	S	S	*	*			trans	175.5	135.1	155.9	57.1	0	0	0	0	114.4
1989	S	28.8	Very low	35.3	Very low	97.2 Å²	97.2	134.1 Å²	134.1	68%	0.68	70%	0.699	S	S	*	*			trans	-150.9	126.8	158.2	53.4	0	0	0	0	113.3	I1991	S1989-I1991 PolarHBondContact O-N 2.89Å
1990	F	28.5	Very low	36.1	Very low	197.4 Å²	197.4	130.3 Å²	130.3	87%	0.866	68%	0.679	S	S	*	*			trans	-88.1	122.6	165.1	-81.2	-96.4	0	0	0	110.3	Y1992	F1990-Y1992 PolarHBondContact O-N 2.86Å
1991	I	30.2	Very low	37.3	Very low	134 Å²	134	126.4 Å²	126.4	69%	0.687	66%	0.66	S	S	*	*			trans	-147.4	126.9	133.1	-64.3	171.6	0	0	0	108.7	S1989 Q1993	S1989-I1991 PolarHBondContact O-N 2.89Å; I1991-Q1993 PolarHBondContact O-N 3.22Å
1992	Y	28.4	Very low	38.6	Very low	187.8 Å²	187.8	121.8 Å²	121.8	74%	0.736	64%	0.635	S	S	*	*			trans	-80.6	145.1	175.4	-87.2	-93.5	0	0	0	111.2	N1877 D1879 F1990	N1877-Y1992 HydrophobicContact CB-CE2 4.46Å; N1877-Y1992 PolarHBondContact O-OH 2.57Å; D1879-Y1992 WeakPolarHBondContact OD2-CE2 3.32Å; F1990-Y1992 PolarHBondContact O-N 2.86Å
1993	Q	28.8	Very low	40.4	Very low	161.6 Å²	161.6	116.3 Å²	116.3	76%	0.755	60%	0.604	S	S	*	*			trans	-110.3	114.2	154.5	-77.4	164.4	-21.5	0	0	112.8	I1991 S1995	I1991-Q1993 PolarHBondContact O-N 3.22Å; Q1993-S1995 PolarHBondContact O-N 3.33Å
1994	N	29.3	Very low	42.6	Very low	150.8 Å²	150.8	113.3 Å²	113.3	81%	0.806	59%	0.586	S	S	*	*			trans	-49	92.1	148	-74	-7.4	0	0	0	113.6	T1996	N1994-T1996 PolarHBondContact O-N 3.29Å
1995	S	33.4	Very low	44.7	Very low	110.2 Å²	110.2	105.9 Å²	105.9	77%	0.771	55%	0.552	S	S	*	*			trans	-76.3	107.8	165.5	50.4	0	0	0	0	110.4	Q1993 I1997	Q1993-S1995 PolarHBondContact O-N 3.33Å; S1995-I1997 VanDerWaalsContact C-N 3.33Å; S1995-I1997 PolarHBondContact O-N 3.13Å; S1995-I1997 VanDerWaalsContact O-N 3.07Å
1996	T	38.5	Very low	47.2	Very low	99.2 Å²	99.2	100.3 Å²	100.3	61%	0.609	53%	0.527	S	S	*	.			trans	-69	108.8	172.8	46.9	0	0	0	0	110.2	N1994	N1994-T1996 PolarHBondContact O-N 3.29Å
1997	I	42.9	Very low	49.8	Very low	122 Å²	122	96 Å²	96	63%	0.626	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-61.8	128.2	179.1	-58.3	172.6	0	0	0	109.2	S1995 T1999	S1995-I1997 VanDerWaalsContact C-N 3.33Å; S1995-I1997 PolarHBondContact O-N 3.13Å; S1995-I1997 VanDerWaalsContact O-N 3.07Å; I1997-T1999 PolarHBondContact O-N 3.2Å; I1997-T1999 VanDerWaalsContact O-N 3.14Å
1998	P	47.1	Very low	52.5	Low	54.4 Å²	54.4	88.4 Å²	88.4	35%	0.353	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-68.6	122.6	174.3	28.3	-33.3	0	0	0	109.9	I1963 V1964 T1965 I2000	I1963-P1998 HydrophobicContact CG2-CB 3.91Å; I1963-P1998 HydrophobicContact CG2-CG 4.4Å; V1964-P1998 CarbonylContact O-C 3.18Å; T1965-P1998 HydrophobicContact CG2-CB 4.41Å; P1998-I2000 PolarHBondContact O-N 3.33Å
1999	T	50.4	Low	55.4	Low	64.4 Å²	64.4	84.3 Å²	84.3	40%	0.395	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.1	177.6	47	0	0	0	0	109.7	V1964 N1966 I1997	V1964-T1999 WeakPolarHBondContact CA-O 3.18Å; V1964-T1999 VanDerWaalsContact CB-O 3.32Å; V1964-T1999 WeakPolarHBondContact CB-O 3.25Å; V1964-T1999 PolarHBondContact N-O 3.17Å; V1964-T1999 PolarHBondContact O-N 3.11Å; V1964-T1999 PolarHBondContact O-OG1 2.85Å; N1966-T1999 PolarHBondContact ND2-OG1 3.07Å; I1997-T1999 PolarHBondContact O-N 3.2Å; I1997-T1999 VanDerWaalsContact O-N 3.14Å
2000	I	58	Low	58.1	Low	44.2 Å²	44.2	80.9 Å²	80.9	23%	0.227	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132	170.5	-57.7	-175.1	0	0	0	108.4	V1883 V1885 P1961 I1962 I1963 P1998	V1883-I2000 HydrophobicContact CB-CD1 4.36Å; V1883-I2000 HydrophobicContact CG1-CD1 3.61Å; V1883-I2000 HydrophobicContact CG1-CG1 4.18Å; V1885-I2000 HydrophobicContact CB-CD1 4.33Å; V1885-I2000 HydrophobicContact CG1-CD1 4.24Å; V1885-I2000 HydrophobicContact CG1-CG2 4.32Å; V1885-I2000 HydrophobicContact CG2-CD1 3.8Å; P1961-I2000 HydrophobicContact CB-CG2 4.12Å; I1962-I2000 WeakPolarHBondContact O-CA 3.35Å; I1963-I2000 HydrophobicContact CG1-CG1 4.38Å; P1998-I2000 PolarHBondContact O-N 3.33Å
2001	T	63	Low	60.8	Low	45.8 Å²	45.8	75.6 Å²	75.6	28%	0.281	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.6	175.5	102.6	0	0	0	0	109.4	I1962 V1964 R2003 L2326	I1962-T2001 WeakPolarHBondContact CA-O 3.36Å; I1962-T2001 WeakPolarHBondContact CB-O 3.35Å; I1962-T2001 PolarHBondContact N-O 2.98Å; I1962-T2001 PolarHBondContact O-N 3.05Å; I1962-T2001 VanDerWaalsContact O-O 3.06Å; I1962-T2001 PolarHBondContact O-OG1 3.14Å; V1964-T2001 HydrophobicContact CB-CG2 4.45Å; V1964-T2001 HydrophobicContact CG2-CG2 3.95Å; V1964-T2001 WeakPolarHBondContact CG2-OG1 3.18Å; T2001-R2003 PolarHBondContact O-N 3.36Å; T2001-L2326 HydrophobicContact CG2-CD2 3.96Å
2002	N	67.4	Low	63.6	Low	42.2 Å²	42.2	71.3 Å²	71.3	23%	0.226	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.2	175.5	-74.6	11.1	0	0	0	110.9	Q1886 P1887 S1959 E1960 P1961 F2004	Q1886-N2002 WeakPolarHBondContact CB-OD1 3.24Å; Q1886-N2002 WeakPolarHBondContact CG-ND2 3.34Å; Q1886-N2002 PolarHBondContact OE1-ND2 3.04Å; Q1886-N2002 PolarHBondContact OE1-OD1 3.07Å; P1887-N2002 PolarHBondContact O-ND2 3.48Å; S1959-N2002 PolarHBondContact OG-ND2 3.29Å; E1960-N2002 CarbonylContact O-C 3.5Å; E1960-N2002 WeakPolarHBondContact O-CA 3.28Å; P1961-N2002 VanDerWaalsContact CA-OD1 3.27Å; P1961-N2002 WeakPolarHBondContact CA-OD1 3.32Å; N2002-F2004 HydrophobicContact CB-CE2 3.74Å; N2002-F2004 HydrophobicContact CB-CZ 3.83Å; N2002-F2004 WeakPolarHBondContact O-CD2 3.21Å; N2002-F2004 WeakPolarHBondContact O-CE2 3.39Å
2003	R	75	Confident	66.5	Low	17.4 Å²	17.4	64.7 Å²	64.7	7%	0.066	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	135.7	162.3	168.6	-174.9	-179.2	-158.4	2.7	108.8	S1959 E1960 I1962 T2001 D2005 D2317 P2325 L2326	S1959-R2003 CarbonylContact C-O 3.58Å; S1959-R2003 VanDerWaalsContact CA-O 3.26Å; S1959-R2003 WeakPolarHBondContact CA-O 3.35Å; E1960-R2003 HydrophobicContact CB-CB 4.26Å; E1960-R2003 HydrophobicContact CG-CB 3.94Å; E1960-R2003 HydrophobicContact CG-CG 4.48Å; E1960-R2003 PolarHBondContact N-O 3.31Å; E1960-R2003 VanDerWaalsContact N-O 3.1Å; E1960-R2003 PolarHBondContact O-N 3.21Å; E1960-R2003 WeakPolarHBondContact OE1-CD 3.5Å; E1960-R2003 IonicContact OE1-CZ 3.57Å; E1960-R2003 IonicContact OE1-NE 3.23Å; E1960-R2003 IonicContact OE1-NH1 3.64Å; E1960-R2003 PolarHBondContact OE1-NH1 3.04Å; E1960-R2003 VanDerWaalsContact OE1-NH1 3.07Å; E1960-R2003 IonicContact OE2-NH1 3.26Å; I1962-R2003 HydrophobicContact CD1-CB 3.59Å; I1962-R2003 HydrophobicContact CD1-CG 4.27Å; I1962-R2003 HydrophobicContact CG1-CB 4.14Å; T2001-R2003 PolarHBondContact O-N 3.36Å; R2003-D2005 IonicContact CZ-OD1 3.35Å; R2003-D2005 VanDerWaalsContact CZ-OD1 3.26Å; R2003-D2005 IonicContact CZ-OD2 3.32Å; R2003-D2005 IonicContact NE-OD1 3.97Å; R2003-D2005 PolarHBondContact NE-OD1 2.95Å; R2003-D2005 IonicContact NH2-OD1 3.6Å; R2003-D2005 PolarHBondContact NH2-OD1 3.31Å; R2003-D2005 IonicContact NH2-OD2 2.89Å; R2003-D2005 PolarHBondContact NH2-OD2 3.13Å; R2003-D2005 VanDerWaalsContact NH2-OD2 3.07Å; R2003-D2317 IonicContact CZ-OD1 2.7Å; R2003-D2317 IonicContact CZ-OD2 3.57Å; R2003-D2317 VanDerWaalsContact CZ-OD2 3.23Å; R2003-D2317 IonicContact NH1-OD1 3.52Å; R2003-D2317 IonicContact NH1-OD2 2.77Å; R2003-D2317 PolarHBondContact NH1-OD2 2.83Å; R2003-D2317 IonicContact NH2-OD1 2.85Å; R2003-D2317 PolarHBondContact NH2-OD1 2.92Å; R2003-D2317 IonicContact NH2-OD2 3.41Å; R2003-D2317 PolarHBondContact NH2-OD2 3.22Å; R2003-P2325 WeakPolarHBondContact CD-O 3.42Å; R2003-P2325 VanDerWaalsContact CG-O 3.23Å; R2003-P2325 WeakPolarHBondContact CG-O 3.41Å; R2003-P2325 PolarHBondContact NE-O 2.86Å; R2003-L2326 CarbonylContact C-O 3.54Å; R2003-L2326 VanDerWaalsContact CA-O 3.31Å; R2003-L2326 WeakPolarHBondContact CA-O 3.25Å; R2003-L2326 WeakPolarHBondContact CG-O 3.49Å
2004	F	81.2	Confident	69.4	Low	77.6 Å²	77.6	59.4 Å²	59.4	34%	0.34	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.5	171.3	-130.6	-99.3	0	0	0	110.8	C1957 F1958 N2002 M2006 L2326 L2327 A2328	C1957-F2004 HydrophobicContact CB-CE2 3.84Å; C1957-F2004 HydrophobicContact CB-CZ 3.84Å; F1958-F2004 CarbonylContact O-C 3.52Å; F1958-F2004 VanDerWaalsContact O-CA 3.31Å; F1958-F2004 WeakPolarHBondContact O-CA 3.32Å; N2002-F2004 HydrophobicContact CB-CE2 3.74Å; N2002-F2004 HydrophobicContact CB-CZ 3.83Å; N2002-F2004 WeakPolarHBondContact O-CD2 3.21Å; N2002-F2004 WeakPolarHBondContact O-CE2 3.39Å; F2004-M2006 HydrophobicContact CD1-CB 4.32Å; F2004-M2006 HydrophobicContact CE1-CB 3.75Å; F2004-M2006 HydrophobicContact CE1-CG 4.41Å; F2004-M2006 HydrophobicContact CE1-SD 4.32Å; F2004-M2006 HydrophobicContact CZ-CB 4.41Å; F2004-L2326 PolarHBondContact N-O 3.04Å; F2004-L2327 HydrophobicContact CB-CD1 4.12Å; F2004-L2327 HydrophobicContact CD1-CD1 3.72Å; F2004-L2327 HydrophobicContact CG-CD1 4.41Å; F2004-L2327 CarbonylContact O-C 3.53Å; F2004-L2327 WeakPolarHBondContact O-CA 3.26Å; F2004-A2328 PolarHBondContact O-N 2.91Å
2005	D	82	Confident	72.3	Confident	4.6 Å²	4.6	54.1 Å²	54.1	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	108.8	172.1	-165.5	14.4	0	0	0	108.3	C1957 F1958 R2003 R2007 A2328	C1957-D2005 CarbonylContact C-O 3.48Å; C1957-D2005 WeakPolarHBondContact CA-O 3.37Å; F1958-D2005 HydrophobicContact CB-CB 4.35Å; F1958-D2005 HydrophobicContact CD2-CB 4.32Å; F1958-D2005 WeakPolarHBondContact CD2-O 3.34Å; F1958-D2005 PolarHBondContact N-O 2.98Å; F1958-D2005 PolarHBondContact O-N 3.23Å; R2003-D2005 IonicContact CZ-OD1 3.35Å; R2003-D2005 VanDerWaalsContact CZ-OD1 3.26Å; R2003-D2005 IonicContact CZ-OD2 3.32Å; R2003-D2005 IonicContact NE-OD1 3.97Å; R2003-D2005 PolarHBondContact NE-OD1 2.95Å; R2003-D2005 IonicContact NH2-OD1 3.6Å; R2003-D2005 PolarHBondContact NH2-OD1 3.31Å; R2003-D2005 IonicContact NH2-OD2 2.89Å; R2003-D2005 PolarHBondContact NH2-OD2 3.13Å; R2003-D2005 VanDerWaalsContact NH2-OD2 3.07Å; D2005-R2007 WeakPolarHBondContact OD1-CG 3.45Å; D2005-R2007 IonicContact OD1-CZ 3.2Å; D2005-R2007 IonicContact OD1-NE 3.2Å; D2005-R2007 PolarHBondContact OD1-NE 2.95Å; D2005-R2007 IonicContact OD1-NH2 2.72Å; D2005-R2007 IonicContact OD2-CZ 3.28Å; D2005-R2007 VanDerWaalsContact OD2-CZ 3.28Å; D2005-R2007 IonicContact OD2-NE 3.5Å; D2005-R2007 PolarHBondContact OD2-NE 2.81Å; D2005-R2007 IonicContact OD2-NH2 3.36Å; D2005-R2007 PolarHBondContact OD2-NH2 3.21Å; D2005-R2007 VanDerWaalsContact OD2-NH2 3.13Å; D2005-A2328 CarbonylContact C-O 3.42Å; D2005-A2328 WeakPolarHBondContact CA-O 3.31Å; D2005-A2328 HydrophobicContact CB-CB 4.25Å; D2005-A2328 VanDerWaalsContact OD1-CB 3.25Å; D2005-A2328 WeakPolarHBondContact OD1-CB 3.31Å
2006	M	86.1	Confident	74.9	Confident	42 Å²	42	49.4 Å²	49.4	21%	0.207	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130	178.6	-174.6	173.3	72.4	0	0	110.3	L1955 K1956 F2004 I2008 A2328 I2329 T2330	L1955-M2006 HydrophobicContact CD1-CG 3.57Å; L1955-M2006 HydrophobicContact CD1-SD 3.79Å; K1956-M2006 CarbonylContact O-C 3.51Å; K1956-M2006 WeakPolarHBondContact O-CA 3.24Å; F2004-M2006 HydrophobicContact CD1-CB 4.32Å; F2004-M2006 HydrophobicContact CE1-CB 3.75Å; F2004-M2006 HydrophobicContact CE1-CG 4.41Å; F2004-M2006 HydrophobicContact CE1-SD 4.32Å; F2004-M2006 HydrophobicContact CZ-CB 4.41Å; M2006-I2008 HydrophobicContact CE-CD1 4.04Å; M2006-I2008 HydrophobicContact CG-CD1 4.4Å; M2006-I2008 HydrophobicContact CG-CG1 4.37Å; M2006-I2008 HydrophobicContact SD-CD1 4.28Å; M2006-A2328 PolarHBondContact N-O 3.2Å; M2006-I2329 HydrophobicContact CB-CG1 4.48Å; M2006-I2329 HydrophobicContact CE-CB 4.48Å; M2006-I2329 HydrophobicContact CE-CD1 4.32Å; M2006-I2329 HydrophobicContact CE-CG1 4.19Å; M2006-I2329 HydrophobicContact CE-CG2 3.71Å; M2006-I2329 CarbonylContact O-C 3.57Å; M2006-I2329 WeakPolarHBondContact O-CA 3.34Å; M2006-T2330 PolarHBondContact O-N 2.95Å
2007	R	86.6	Confident	77.2	Confident	59.8 Å²	59.8	44.7 Å²	44.7	23%	0.226	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.1	-178.4	-46.7	-172	-175.7	167.1	4.1	110.1	L1955 K1956 F1958 D2005 F2315 T2330 Y2332	L1955-R2007 CarbonylContact C-O 3.54Å; L1955-R2007 WeakPolarHBondContact CA-O 3.3Å; K1956-R2007 HydrophobicContact CB-CB 4.4Å; K1956-R2007 PolarHBondContact N-O 3.06Å; K1956-R2007 PolarHBondContact O-N 2.97Å; F1958-R2007 HydrophobicContact CE2-CG 4.32Å; D2005-R2007 WeakPolarHBondContact OD1-CG 3.45Å; D2005-R2007 IonicContact OD1-CZ 3.2Å; D2005-R2007 IonicContact OD1-NE 3.2Å; D2005-R2007 PolarHBondContact OD1-NE 2.95Å; D2005-R2007 IonicContact OD1-NH2 2.72Å; D2005-R2007 IonicContact OD2-CZ 3.28Å; D2005-R2007 VanDerWaalsContact OD2-CZ 3.28Å; D2005-R2007 IonicContact OD2-NE 3.5Å; D2005-R2007 PolarHBondContact OD2-NE 2.81Å; D2005-R2007 IonicContact OD2-NH2 3.36Å; D2005-R2007 PolarHBondContact OD2-NH2 3.21Å; D2005-R2007 VanDerWaalsContact OD2-NH2 3.13Å; R2007-F2315 HydrophobicContact CG-CD1 4.25Å; R2007-T2330 CarbonylContact C-O 3.49Å; R2007-T2330 VanDerWaalsContact CA-O 3.27Å; R2007-T2330 WeakPolarHBondContact CA-O 3.34Å; R2007-T2330 WeakPolarHBondContact CG-OG1 3.39Å; R2007-Y2332 HydrophobicContact CB-CD1 4.34Å; R2007-Y2332 HydrophobicContact CB-CE1 3.86Å
2008	I	89	Confident	79.2	Confident	34.8 Å²	34.8	39.3 Å²	39.3	18%	0.178	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.4	-176.7	-62	173.1	0	0	0	109.6	L1953 E1954 L1955 M2006 N2011 T2330 L2331 Y2332 V2334	L1953-I2008 HydrophobicContact CD1-CG2 3.67Å; L1953-I2008 HydrophobicContact CG-CG2 4.18Å; E1954-I2008 CarbonylContact O-C 3.57Å; E1954-I2008 VanDerWaalsContact O-CA 3.31Å; E1954-I2008 WeakPolarHBondContact O-CA 3.3Å; L1955-I2008 HydrophobicContact CD1-CD1 4.2Å; L1955-I2008 HydrophobicContact CD1-CG1 3.68Å; M2006-I2008 HydrophobicContact CE-CD1 4.04Å; M2006-I2008 HydrophobicContact CG-CD1 4.4Å; M2006-I2008 HydrophobicContact CG-CG1 4.37Å; M2006-I2008 HydrophobicContact SD-CD1 4.28Å; I2008-N2011 WeakPolarHBondContact CG2-ND2 3.41Å; I2008-T2330 PolarHBondContact N-O 3.22Å; I2008-L2331 HydrophobicContact CB-CD2 3.84Å; I2008-L2331 HydrophobicContact CD1-CD2 3.99Å; I2008-L2331 HydrophobicContact CG1-CD2 4.32Å; I2008-L2331 HydrophobicContact CG2-CD2 4.28Å; I2008-L2331 CarbonylContact O-C 3.53Å; I2008-L2331 WeakPolarHBondContact O-CA 3.3Å; I2008-Y2332 WeakPolarHBondContact O-CD1 3.41Å; I2008-Y2332 PolarHBondContact O-N 2.96Å; I2008-V2334 HydrophobicContact CG2-CG2 4.25Å
2009	T	88	Confident	80.8	Confident	22.6 Å²	22.6	38 Å²	38	14%	0.139	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.3	172.2	146.2	0	0	0	0	111.4	L1953 E1954 N2011 Y2332	L1953-T2009 WeakPolarHBondContact CA-O 3.34Å; L1953-T2009 WeakPolarHBondContact CG-O 3.08Å; E1954-T2009 HydrophobicContact CB-CG2 3.74Å; E1954-T2009 WeakPolarHBondContact CB-OG1 3.36Å; E1954-T2009 HydrophobicContact CG-CG2 4.37Å; E1954-T2009 PolarHBondContact N-O 2.99Å; E1954-T2009 VanDerWaalsContact N-O 3.14Å; E1954-T2009 PolarHBondContact O-N 3.07Å; E1954-T2009 WeakPolarHBondContact OE2-CG2 3.34Å; T2009-N2011 PolarHBondContact O-N 3.1Å; T2009-N2011 PolarHBondContact O-OD1 3.16Å; T2009-N2011 VanDerWaalsContact O-OD1 3.14Å; T2009-Y2332 WeakPolarHBondContact CA-O 3.3Å; T2009-Y2332 VanDerWaalsContact CB-CE2 3.5Å; T2009-Y2332 WeakPolarHBondContact CB-O 3.37Å; T2009-Y2332 HydrophobicContact CG2-CD1 3.89Å; T2009-Y2332 HydrophobicContact CG2-CD2 4.02Å; T2009-Y2332 HydrophobicContact CG2-CE1 3.75Å; T2009-Y2332 HydrophobicContact CG2-CE2 3.43Å; T2009-Y2332 HydrophobicContact CG2-CG 4.12Å; T2009-Y2332 VanDerWaalsContact CG2-CZ 3.46Å; T2009-Y2332 WeakPolarHBondContact CG2-O 3.35Å; T2009-Y2332 WeakPolarHBondContact CG2-OH 3.41Å; T2009-Y2332 PolarHBondContact OG1-O 2.87Å; T2009-Y2332 VanDerWaalsContact OG1-O 3.08Å
2010	N	86.8	Confident	82.2	Confident	26.8 Å²	26.8	37 Å²	37	14%	0.143	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	134	174.4	87.5	-24.6	0	0	0	112.5	L1950 H1952 L1953 L2012 L2013 V2334 S2335	L1950-N2010 HydrophobicContact CD1-CB 4.02Å; L1950-N2010 WeakPolarHBondContact CD1-ND2 3.36Å; L1950-N2010 WeakPolarHBondContact CD1-OD1 3.27Å; H1952-N2010 CarbonylContact O-C 3.59Å; H1952-N2010 VanDerWaalsContact O-CA 3.31Å; H1952-N2010 WeakPolarHBondContact O-CA 3.36Å; H1952-N2010 VanDerWaalsContact O-CB 3.25Å; H1952-N2010 WeakPolarHBondContact O-CB 3.37Å; H1952-N2010 PolarHBondContact O-OD1 3.05Å; L1953-N2010 HydrophobicContact CB-CB 4.34Å; L1953-N2010 HydrophobicContact CD1-CB 4.03Å; N2010-L2012 VanDerWaalsContact ND2-C 3.34Å; N2010-L2012 PolarHBondContact O-N 2.81Å; N2010-L2012 VanDerWaalsContact OD1-C 3.3Å; N2010-L2012 PolarHBondContact OD1-N 2.6Å; N2010-L2013 VanDerWaalsContact ND2-CB 3.32Å; N2010-L2013 WeakPolarHBondContact ND2-CB 3.39Å; N2010-L2013 PolarHBondContact ND2-N 3.03Å; N2010-L2013 VanDerWaalsContact ND2-N 3.14Å; N2010-V2334 HydrophobicContact CB-CG1 4.43Å; N2010-V2334 HydrophobicContact CB-CG2 4.46Å; N2010-V2334 WeakPolarHBondContact OD1-CA 3.39Å; N2010-V2334 WeakPolarHBondContact OD1-CG1 3.34Å; N2010-S2335 PolarHBondContact ND2-O 2.79Å; N2010-S2335 PolarHBondContact O-N 3.29Å; N2010-S2335 PolarHBondContact OD1-N 2.9Å; N2010-S2335 PolarHBondContact OD1-O 3.02Å
2011	N	85.4	Confident	83.3	Confident	84.4 Å²	84.4	35.3 Å²	35.3	45%	0.451	18%	0.182	S	C	.	.	S	Bend	trans	-70.4	-54.7	176.1	-70.9	-0.8	0	0	0	111.8	H1952 I2008 T2009 V2334 S2335	H1952-N2011 HydrophobicContact CB-CB 4.24Å; H1952-N2011 WeakPolarHBondContact CB-ND2 3.34Å; H1952-N2011 PolarHBondContact CD2-OD1 3.02Å; H1952-N2011 PolarHBondContact O-N 3.06Å; I2008-N2011 WeakPolarHBondContact CG2-ND2 3.41Å; T2009-N2011 PolarHBondContact O-N 3.1Å; T2009-N2011 PolarHBondContact O-OD1 3.16Å; T2009-N2011 VanDerWaalsContact O-OD1 3.14Å; N2011-V2334 HydrophobicContact CB-CB 4.45Å; N2011-V2334 HydrophobicContact CB-CG1 4.14Å; N2011-V2334 HydrophobicContact CB-CG2 4.1Å; N2011-S2335 PolarHBondContact O-N 2.75Å
2012	L	87.6	Confident	84.3	Confident	45.6 Å²	45.6	35.3 Å²	35.3	24%	0.239	18%	0.18	C	C	.	.			trans	-154.5	122.1	172.6	-176.4	52.9	0	0	0	110.2	D1951 N2010 K2014 S2335 E2337	D1951-L2012 HydrophobicContact CB-CB 4.4Å; D1951-L2012 PolarHBondContact N-O 3.06Å; N2010-L2012 VanDerWaalsContact ND2-C 3.34Å; N2010-L2012 PolarHBondContact O-N 2.81Å; N2010-L2012 VanDerWaalsContact OD1-C 3.3Å; N2010-L2012 PolarHBondContact OD1-N 2.6Å; L2012-K2014 HydrophobicContact CD2-CD 4.48Å; L2012-K2014 VanDerWaalsContact CD2-CE 3.47Å; L2012-K2014 HydrophobicContact CD2-CG 4.26Å; L2012-K2014 HydrophobicContact CG-CG 4.03Å; L2012-S2335 WeakPolarHBondContact CA-O 3.29Å; L2012-E2337 HydrophobicContact CD1-CB 4.09Å
2013	L	89.5	Confident	84.8	Confident	48.8 Å²	48.8	35.3 Å²	35.3	26%	0.255	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.9	168.2	176.4	64.4	0	0	0	108.6	T1948 L1950 N2010 I2015 S2335 C2336 E2337	T1948-L2013 VanDerWaalsContact OG1-CD1 3.28Å; T1948-L2013 WeakPolarHBondContact OG1-CD1 3.28Å; L1950-L2013 HydrophobicContact CB-CD1 4.15Å; L1950-L2013 HydrophobicContact CD1-CB 4.25Å; L1950-L2013 HydrophobicContact CD1-CD1 4.25Å; N2010-L2013 VanDerWaalsContact ND2-CB 3.32Å; N2010-L2013 WeakPolarHBondContact ND2-CB 3.39Å; N2010-L2013 PolarHBondContact ND2-N 3.03Å; N2010-L2013 VanDerWaalsContact ND2-N 3.14Å; L2013-I2015 HydrophobicContact CD1-CG1 4.39Å; L2013-I2015 HydrophobicContact CD2-CD1 4.12Å; L2013-I2015 HydrophobicContact CD2-CG1 4.35Å; L2013-I2015 HydrophobicContact CG-CD1 4.36Å; L2013-I2015 HydrophobicContact CG-CG1 4.1Å; L2013-S2335 PolarHBondContact N-O 3.04Å; L2013-C2336 HydrophobicContact CB-CB 4.48Å; L2013-C2336 CarbonylContact O-C 3.56Å; L2013-C2336 VanDerWaalsContact O-CA 3.26Å; L2013-C2336 WeakPolarHBondContact O-CA 3.41Å; L2013-C2336 PolarHBondContact O-SG 2.79Å; L2013-E2337 PolarHBondContact O-N 2.9Å
2014	K	90.1	Very high	84.8	Confident	50.6 Å²	50.6	35.2 Å²	35.2	22%	0.22	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.3	173.3	-56.7	-178.1	-174.5	150.4	0	109.5	T1948 S1949 D1951 L2012 E2337	T1948-K2014 CarbonylContact C-O 3.44Å; T1948-K2014 WeakPolarHBondContact CA-O 3.33Å; T1948-K2014 VanDerWaalsContact CB-O 3.26Å; T1948-K2014 WeakPolarHBondContact CB-O 3.4Å; T1948-K2014 PolarHBondContact OG1-O 2.99Å; T1948-K2014 VanDerWaalsContact OG1-O 3.05Å; S1949-K2014 PolarHBondContact N-O 2.98Å; S1949-K2014 PolarHBondContact O-N 3.08Å; D1951-K2014 IonicContact OD1-NZ 3.17Å; D1951-K2014 PolarHBondContact OD1-NZ 3.26Å; D1951-K2014 IonicContact OD2-NZ 2.77Å; D1951-K2014 PolarHBondContact OD2-NZ 3.3Å; L2012-K2014 HydrophobicContact CD2-CD 4.48Å; L2012-K2014 VanDerWaalsContact CD2-CE 3.47Å; L2012-K2014 HydrophobicContact CD2-CG 4.26Å; L2012-K2014 HydrophobicContact CG-CG 4.03Å; K2014-E2337 CarbonylContact C-O 3.55Å; K2014-E2337 VanDerWaalsContact CA-O 3.29Å; K2014-E2337 WeakPolarHBondContact CA-O 3.38Å; K2014-E2337 VanDerWaalsContact CE-OE2 3.25Å; K2014-E2337 WeakPolarHBondContact CE-OE2 3.43Å; K2014-E2337 HydrophobicContact CG-CB 4.31Å; K2014-E2337 IonicContact NZ-OE2 3.28Å; K2014-E2337 PolarHBondContact NZ-OE2 3.43Å
2015	I	90.1	Very high	84.7	Confident	37.8 Å²	37.8	34.1 Å²	34.1	19%	0.194	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.7	177.9	-54.3	178.3	0	0	0	107.8	I1947 T1948 L2013 T2017 I2021 L2025 E2337 W2338 N2339	I1947-I2015 CarbonylContact O-C 3.57Å; I1947-I2015 WeakPolarHBondContact O-CA 3.43Å; T1948-I2015 HydrophobicContact CG2-CB 4.37Å; T1948-I2015 HydrophobicContact CG2-CG1 3.97Å; T1948-I2015 HydrophobicContact CG2-CG2 4.21Å; L2013-I2015 HydrophobicContact CD1-CG1 4.39Å; L2013-I2015 HydrophobicContact CD2-CD1 4.12Å; L2013-I2015 HydrophobicContact CD2-CG1 4.35Å; L2013-I2015 HydrophobicContact CG-CD1 4.36Å; L2013-I2015 HydrophobicContact CG-CG1 4.1Å; I2015-T2017 HydrophobicContact CG2-CG2 3.96Å; I2015-I2021 HydrophobicContact CG2-CD1 4.37Å; I2015-L2025 HydrophobicContact CG2-CD2 4.49Å; I2015-E2337 PolarHBondContact N-O 3.21Å; I2015-W2338 HydrophobicContact CB-CB 4.34Å; I2015-W2338 HydrophobicContact CB-CG 4.29Å; I2015-W2338 HydrophobicContact CG2-CG 4.34Å; I2015-W2338 CarbonylContact O-C 3.49Å; I2015-W2338 WeakPolarHBondContact O-CA 3.39Å; I2015-N2339 PolarHBondContact O-N 2.89Å
2016	N	87.9	Confident	84.5	Confident	12.4 Å²	12.4	38.6 Å²	38.6	7%	0.066	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	102	-172.6	-65.6	-33.1	0	0	0	110.5	I1947 C2018 I2021 N2339 Y2341 Y2486 R2493	I1947-N2016 PolarHBondContact O-N 3.11Å; N2016-C2018 PolarHBondContact O-N 3.11Å; N2016-I2021 WeakPolarHBondContact O-CD1 3.49Å; N2016-N2339 WeakPolarHBondContact CA-O 3.48Å; N2016-N2339 WeakPolarHBondContact OD1-CB 3.34Å; N2016-N2339 PolarHBondContact OD1-ND2 3.12Å; N2016-Y2341 HydrophobicContact CB-CE2 4.21Å; N2016-Y2486 WeakPolarHBondContact ND2-CE1 3.4Å; N2016-Y2486 PolarHBondContact ND2-O 2.76Å; N2016-R2493 PolarHBondContact O-NH2 3.29Å; N2016-R2493 VanDerWaalsContact O-NH2 3.15Å
2017	T	86.9	Confident	83.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.1	-171.4	56.4	0	0	0	0	113.6	I1947 I2015 I2021 L2022 L2025 W2338 N2339 I2340 Y2341 R2493	I1947-T2017 HydrophobicContact CG2-CG2 4.46Å; I2015-T2017 HydrophobicContact CG2-CG2 3.96Å; T2017-I2021 HydrophobicContact CG2-CG2 4Å; T2017-L2022 HydrophobicContact CG2-CB 4.47Å; T2017-L2025 HydrophobicContact CG2-CD1 3.82Å; T2017-L2025 HydrophobicContact CG2-CD2 4.35Å; T2017-W2338 HydrophobicContact CG2-CZ2 4.12Å; T2017-W2338 PolarHBondContact OG1-NE1 3.08Å; T2017-N2339 PolarHBondContact N-O 2.89Å; T2017-N2339 PolarHBondContact OG1-O 2.74Å; T2017-I2340 HydrophobicContact CG2-CB 4.45Å; T2017-I2340 HydrophobicContact CG2-CG1 4.02Å; T2017-I2340 WeakPolarHBondContact O-CA 3.35Å; T2017-I2340 WeakPolarHBondContact OG1-CA 3.23Å; T2017-Y2341 PolarHBondContact O-N 3.23Å; T2017-Y2341 PolarHBondContact OG1-N 2.83Å; T2017-R2493 PolarHBondContact O-NH2 3.35Å
2018	C	85.4	Confident	83	Confident	7.2 Å²	7.2	39 Å²	39	5%	0.049	20%	0.203	C	C	.	.			trans	-89.2	175.4	151.3	-29.8	0	0	0	0	110.6	N2016 D2020 I2021 L2022 G2342 G2343 D2345 Y2703	N2016-C2018 PolarHBondContact O-N 3.11Å; C2018-D2020 VanDerWaalsContact C-N 3.31Å; C2018-D2020 VanDerWaalsContact CB-OD1 3.25Å; C2018-D2020 WeakPolarHBondContact CB-OD1 3.37Å; C2018-D2020 PolarHBondContact O-N 2.95Å; C2018-D2020 PolarHBondContact SG-OD2 3.39Å; C2018-I2021 PolarHBondContact O-N 3.05Å; C2018-I2021 VanDerWaalsContact SG-CG1 3.57Å; C2018-I2021 PolarHBondContact SG-N 2.98Å; C2018-L2022 WeakPolarHBondContact O-CB 3.5Å; C2018-L2022 PolarHBondContact O-N 3.08Å; C2018-L2022 VanDerWaalsContact O-N 3.16Å; C2018-G2342 PolarHBondContact SG-O 3.14Å; C2018-G2342 VanDerWaalsContact SG-O 3.41Å; C2018-G2343 WeakPolarHBondContact CB-O 3.42Å; C2018-D2345 HydrophobicContact CB-CB 4.32Å; C2018-D2345 VanDerWaalsContact CB-OD2 3.23Å; C2018-D2345 WeakPolarHBondContact CB-OD2 3.41Å; C2018-D2345 PolarHBondContact N-OD2 3.08Å; C2018-D2345 VanDerWaalsContact N-OD2 3.1Å; C2018-D2345 VanDerWaalsContact SG-CG 3.59Å; C2018-D2345 PolarHBondContact SG-OD2 3.26Å; C2018-D2345 VanDerWaalsContact SG-OD2 3.39Å; C2018-Y2703 PolarHBondContact O-OH 3.25Å
2019	A	81.2	Confident	82.2	Confident	28.4 Å²	28.4	41 Å²	41	24%	0.235	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-37.7	-178.5	0	0	0	0	0	113.2	I2021 L2022 V2023 D2345 L2346 Y2703 N2706 L2710	A2019-I2021 VanDerWaalsContact C-N 3.31Å; A2019-I2021 PolarHBondContact O-N 2.87Å; A2019-L2022 PolarHBondContact O-N 3.25Å; A2019-V2023 PolarHBondContact O-N 3.13Å; A2019-V2023 VanDerWaalsContact O-N 3.11Å; A2019-D2345 WeakPolarHBondContact CB-O 3.2Å; A2019-L2346 HydrophobicContact CB-CD2 4.18Å; A2019-Y2703 HydrophobicContact CB-CD2 4.23Å; A2019-Y2703 HydrophobicContact CB-CE2 3.81Å; A2019-N2706 HydrophobicContact CB-CB 4.21Å; A2019-L2710 HydrophobicContact CB-CD1 4.06Å; A2019-L2710 HydrophobicContact CB-CD2 4.38Å
2020	D	79	Confident	81.2	Confident	42.6 Å²	42.6	42.6 Å²	42.6	23%	0.228	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-44.5	178.3	16.9	-26.6	0	0	0	112.2	C2018 L2022 V2023 I2024 D2345 L2346 L2347 L2710	C2018-D2020 VanDerWaalsContact C-N 3.31Å; C2018-D2020 VanDerWaalsContact CB-OD1 3.25Å; C2018-D2020 WeakPolarHBondContact CB-OD1 3.37Å; C2018-D2020 PolarHBondContact O-N 2.95Å; C2018-D2020 PolarHBondContact SG-OD2 3.39Å; D2020-L2022 VanDerWaalsContact C-N 3.28Å; D2020-L2022 PolarHBondContact O-N 3.01Å; D2020-V2023 PolarHBondContact O-N 3.08Å; D2020-I2024 HydrophobicContact CB-CD1 4.34Å; D2020-I2024 VanDerWaalsContact O-CB 3.25Å; D2020-I2024 WeakPolarHBondContact O-CB 3.31Å; D2020-I2024 WeakPolarHBondContact O-CD1 3.43Å; D2020-I2024 WeakPolarHBondContact O-CG1 3.28Å; D2020-I2024 PolarHBondContact O-N 2.98Å; D2020-I2024 VanDerWaalsContact O-N 3.09Å; D2020-D2345 PolarHBondContact OD1-N 2.81Å; D2020-D2345 VanDerWaalsContact OD1-N 3.1Å; D2020-D2345 PolarHBondContact OD2-N 2.99Å; D2020-L2346 WeakPolarHBondContact OD2-CB 3.34Å; D2020-L2346 PolarHBondContact OD2-N 3.02Å; D2020-L2347 HydrophobicContact CB-CD1 3.88Å; D2020-L2347 VanDerWaalsContact CB-CD1 3.48Å; D2020-L2347 WeakPolarHBondContact OD2-CD1 3.38Å; D2020-L2347 PolarHBondContact OD2-N 2.88Å; D2020-L2710 HydrophobicContact CB-CD1 4.1Å
2021	I	81.7	Confident	80.1	Confident	8.8 Å²	8.8	43.9 Å²	43.9	5%	0.045	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-35.4	175.1	-68.6	-175.2	0	0	0	111.5	V1945 I1947 I2015 N2016 T2017 C2018 A2019 V2023 I2024 L2025 D2345 L2346	V1945-I2021 HydrophobicContact CB-CD1 4.08Å; V1945-I2021 HydrophobicContact CG1-CD1 3.58Å; V1945-I2021 VanDerWaalsContact CG1-CD1 3.47Å; I1947-I2021 HydrophobicContact CB-CG2 4.37Å; I1947-I2021 HydrophobicContact CD1-CD1 4.37Å; I1947-I2021 HydrophobicContact CD1-CG2 3.76Å; I1947-I2021 HydrophobicContact CG1-CD1 4.09Å; I1947-I2021 HydrophobicContact CG1-CG2 3.79Å; I1947-I2021 HydrophobicContact CG2-CG2 3.93Å; I2015-I2021 HydrophobicContact CG2-CD1 4.37Å; N2016-I2021 WeakPolarHBondContact O-CD1 3.49Å; T2017-I2021 HydrophobicContact CG2-CG2 4Å; C2018-I2021 PolarHBondContact O-N 3.05Å; C2018-I2021 VanDerWaalsContact SG-CG1 3.57Å; C2018-I2021 PolarHBondContact SG-N 2.98Å; A2019-I2021 VanDerWaalsContact C-N 3.31Å; A2019-I2021 PolarHBondContact O-N 2.87Å; I2021-V2023 PolarHBondContact O-N 3.38Å; I2021-I2024 PolarHBondContact O-N 3.04Å; I2021-L2025 HydrophobicContact CG2-CD1 4.13Å; I2021-L2025 HydrophobicContact CG2-CG 4.31Å; I2021-L2025 WeakPolarHBondContact O-CB 3.41Å; I2021-L2025 WeakPolarHBondContact O-CG 3.42Å; I2021-L2025 PolarHBondContact O-N 3.07Å; I2021-D2345 HydrophobicContact CD1-CB 3.55Å; I2021-D2345 WeakPolarHBondContact CD1-OD2 3.27Å; I2021-D2345 HydrophobicContact CG1-CB 3.86Å; I2021-L2346 HydrophobicContact CD1-CD1 4.38Å; I2021-L2346 HydrophobicContact CD1-CG 4.4Å; I2021-L2346 HydrophobicContact CG1-CD1 3.97Å; I2021-L2346 HydrophobicContact CG1-CG 4.32Å
2022	L	82.1	Confident	78.9	Confident	45.2 Å²	45.2	44.5 Å²	44.5	24%	0.237	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-38.5	178.1	-157	96	0	0	0	112.1	T2017 C2018 A2019 D2020 I2024 L2025 H2026 W2338 L2346 Y2703 F2707 L2710	T2017-L2022 HydrophobicContact CG2-CB 4.47Å; C2018-L2022 WeakPolarHBondContact O-CB 3.5Å; C2018-L2022 PolarHBondContact O-N 3.08Å; C2018-L2022 VanDerWaalsContact O-N 3.16Å; A2019-L2022 PolarHBondContact O-N 3.25Å; D2020-L2022 VanDerWaalsContact C-N 3.28Å; D2020-L2022 PolarHBondContact O-N 3.01Å; L2022-I2024 VanDerWaalsContact C-N 3.35Å; L2022-L2025 PolarHBondContact O-N 3.24Å; L2022-H2026 WeakPolarHBondContact O-CB 3.38Å; L2022-H2026 PolarHBondContact O-N 3.16Å; L2022-W2338 HydrophobicContact CD1-CH2 4.36Å; L2022-W2338 HydrophobicContact CD1-CZ2 3.72Å; L2022-W2338 HydrophobicContact CD2-CH2 4.35Å; L2022-W2338 HydrophobicContact CD2-CZ2 4.08Å; L2022-W2338 HydrophobicContact CG-CZ2 4.46Å; L2022-L2346 HydrophobicContact CD1-CD1 4.34Å; L2022-L2346 HydrophobicContact CD1-CD2 3.74Å; L2022-Y2703 HydrophobicContact CD2-CE1 4.02Å; L2022-Y2703 WeakPolarHBondContact CD2-OH 3.3Å; L2022-F2707 HydrophobicContact CB-CD2 4.15Å; L2022-F2707 HydrophobicContact CB-CE2 4.2Å; L2022-F2707 HydrophobicContact CD1-CD2 3.92Å; L2022-F2707 HydrophobicContact CD1-CE2 4.1Å; L2022-F2707 HydrophobicContact CD2-CD2 3.82Å; L2022-F2707 HydrophobicContact CD2-CE2 3.95Å; L2022-F2707 HydrophobicContact CD2-CG 4.49Å; L2022-F2707 HydrophobicContact CD2-CZ 4.46Å; L2022-F2707 HydrophobicContact CG-CD2 4.03Å; L2022-F2707 HydrophobicContact CG-CE2 4.03Å; L2022-F2707 HydrophobicContact CG-CZ 4.49Å; L2022-L2710 HydrophobicContact CB-CD2 3.93Å; L2022-L2710 HydrophobicContact CD1-CD2 4.01Å
2023	V	78.6	Confident	77.6	Confident	43 Å²	43	46.5 Å²	46.5	26%	0.261	25%	0.246	S	C	.	.	H	α-helix	trans	-66.2	-40.3	172.7	174.9	0	0	0	0	111.3	F1832 L1834 A2019 D2020 I2021 H2026 K2027 F2707 L2710 L2711	F1832-V2023 HydrophobicContact CE1-CG1 4.26Å; L1834-V2023 HydrophobicContact CD2-CG1 4.43Å; A2019-V2023 PolarHBondContact O-N 3.13Å; A2019-V2023 VanDerWaalsContact O-N 3.11Å; D2020-V2023 PolarHBondContact O-N 3.08Å; I2021-V2023 PolarHBondContact O-N 3.38Å; V2023-H2026 WeakPolarHBondContact O-CB 3.32Å; V2023-H2026 PolarHBondContact O-N 3.28Å; V2023-K2027 WeakPolarHBondContact O-CB 3.33Å; V2023-K2027 WeakPolarHBondContact O-CG 3.46Å; V2023-K2027 PolarHBondContact O-N 3.28Å; V2023-F2707 HydrophobicContact CG2-CD2 3.59Å; V2023-F2707 HydrophobicContact CG2-CE2 3.53Å; V2023-F2707 HydrophobicContact CG2-CZ 4.49Å; V2023-L2710 HydrophobicContact CG2-CB 3.83Å; V2023-L2710 HydrophobicContact CG2-CD1 4.39Å; V2023-L2711 HydrophobicContact CG1-CD1 4.31Å; V2023-L2711 HydrophobicContact CG2-CB 4.24Å
2024	I	76.3	Confident	75.8	Confident	14.2 Å²	14.2	49 Å²	49	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-42.6	176.1	-69.4	162.6	0	0	0	111.1	F1832 M1846 L1849 F1851 D2020 I2021 L2022 H2026 K2027 F2028 L2346	F1832-I2024 HydrophobicContact CD1-CG1 4.33Å; F1832-I2024 HydrophobicContact CE1-CB 4.44Å; F1832-I2024 HydrophobicContact CE1-CG1 4.2Å; F1832-I2024 HydrophobicContact CZ-CG1 3.95Å; M1846-I2024 HydrophobicContact CE-CD1 4.27Å; L1849-I2024 HydrophobicContact CD1-CB 4.4Å; L1849-I2024 HydrophobicContact CD1-CD1 3.58Å; L1849-I2024 HydrophobicContact CD1-CG1 3.65Å; L1849-I2024 HydrophobicContact CD1-CG2 3.95Å; L1849-I2024 HydrophobicContact CD2-CD1 4.22Å; F1851-I2024 HydrophobicContact CE1-CG2 3.93Å; F1851-I2024 HydrophobicContact CE2-CG2 4.47Å; F1851-I2024 HydrophobicContact CZ-CG2 3.75Å; D2020-I2024 HydrophobicContact CB-CD1 4.34Å; D2020-I2024 VanDerWaalsContact O-CB 3.25Å; D2020-I2024 WeakPolarHBondContact O-CB 3.31Å; D2020-I2024 WeakPolarHBondContact O-CD1 3.43Å; D2020-I2024 WeakPolarHBondContact O-CG1 3.28Å; D2020-I2024 PolarHBondContact O-N 2.98Å; D2020-I2024 VanDerWaalsContact O-N 3.09Å; I2021-I2024 PolarHBondContact O-N 3.04Å; L2022-I2024 VanDerWaalsContact C-N 3.35Å; I2024-H2026 VanDerWaalsContact C-N 3.35Å; I2024-H2026 PolarHBondContact O-N 2.86Å; I2024-K2027 CarbonylContact O-C 3.59Å; I2024-K2027 PolarHBondContact O-N 3.06Å; I2024-F2028 WeakPolarHBondContact O-CB 3.37Å; I2024-F2028 PolarHBondContact O-N 3.08Å; I2024-L2346 HydrophobicContact CD1-CD1 3.28Å
2025	L	78.3	Confident	73.7	Confident	56.4 Å²	56.4	51.8 Å²	51.8	30%	0.295	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-40.9	177.1	-157.6	124.9	0	0	0	111.3	I1947 I2015 T2017 I2021 L2022 F2028 V2029	I1947-L2025 HydrophobicContact CG2-CD1 4.19Å; I1947-L2025 HydrophobicContact CG2-CD2 4.22Å; I1947-L2025 HydrophobicContact CG2-CG 4.44Å; I2015-L2025 HydrophobicContact CG2-CD2 4.49Å; T2017-L2025 HydrophobicContact CG2-CD1 3.82Å; T2017-L2025 HydrophobicContact CG2-CD2 4.35Å; I2021-L2025 HydrophobicContact CG2-CD1 4.13Å; I2021-L2025 HydrophobicContact CG2-CG 4.31Å; I2021-L2025 WeakPolarHBondContact O-CB 3.41Å; I2021-L2025 WeakPolarHBondContact O-CG 3.42Å; I2021-L2025 PolarHBondContact O-N 3.07Å; L2022-L2025 PolarHBondContact O-N 3.24Å; L2025-F2028 HydrophobicContact CD1-CD1 4.31Å; L2025-F2028 PolarHBondContact O-N 2.94Å; L2025-V2029 HydrophobicContact CD2-CG2 4.1Å; L2025-V2029 WeakPolarHBondContact O-CB 3.36Å; L2025-V2029 WeakPolarHBondContact O-CG2 3.37Å; L2025-V2029 PolarHBondContact O-N 3.21Å
2026	H	78.1	Confident	71.4	Confident	99 Å²	99	54.3 Å²	54.3	46%	0.458	28%	0.282	S	S	.	.	H	α-helix	trans	-57.7	-51.8	171.4	-177.6	-67.6	0	0	0	111.2	L2022 V2023 I2024 F2028 V2029 E2030	L2022-H2026 WeakPolarHBondContact O-CB 3.38Å; L2022-H2026 PolarHBondContact O-N 3.16Å; V2023-H2026 WeakPolarHBondContact O-CB 3.32Å; V2023-H2026 PolarHBondContact O-N 3.28Å; I2024-H2026 VanDerWaalsContact C-N 3.35Å; I2024-H2026 PolarHBondContact O-N 2.86Å; H2026-F2028 VanDerWaalsContact C-N 3.27Å; H2026-F2028 PolarHBondContact O-N 3.22Å; H2026-V2029 PolarHBondContact O-N 3.06Å; H2026-E2030 IonicContact CE1-OE2 3.31Å; H2026-E2030 PolarHBondContact CE1-OE2 2.97Å; H2026-E2030 VanDerWaalsContact CE1-OE2 3.23Å; H2026-E2030 IonicContact ND1-OE2 3.01Å; H2026-E2030 PolarHBondContact ND1-OE2 3.17Å; H2026-E2030 VanDerWaalsContact ND1-OE2 3.16Å; H2026-E2030 VanDerWaalsContact O-CB 3.28Å; H2026-E2030 WeakPolarHBondContact O-CB 3.35Å; H2026-E2030 PolarHBondContact O-N 3.35Å
2027	K	70.1	Confident	68.8	Low	54.2 Å²	54.2	60.3 Å²	60.3	24%	0.236	31%	0.311	C	S	.	.	H	α-helix	trans	-65.5	-28.2	179.7	-75.6	-74.8	166	-157.2	0	113.2	F1832 V2023 I2024 E2030 L2031	F1832-K2027 HydrophobicContact CE1-CB 3.41Å; F1832-K2027 VanDerWaalsContact CE1-CB 3.41Å; F1832-K2027 HydrophobicContact CE1-CG 4.04Å; F1832-K2027 HydrophobicContact CE2-CB 4.5Å; F1832-K2027 HydrophobicContact CZ-CB 3.94Å; F1832-K2027 HydrophobicContact CZ-CG 4.38Å; V2023-K2027 WeakPolarHBondContact O-CB 3.33Å; V2023-K2027 WeakPolarHBondContact O-CG 3.46Å; V2023-K2027 PolarHBondContact O-N 3.28Å; I2024-K2027 CarbonylContact O-C 3.59Å; I2024-K2027 PolarHBondContact O-N 3.06Å; K2027-E2030 VanDerWaalsContact CD-OE2 3.3Å; K2027-E2030 WeakPolarHBondContact CD-OE2 3.31Å; K2027-E2030 VanDerWaalsContact CE-OE2 3.23Å; K2027-E2030 WeakPolarHBondContact CE-OE2 3.37Å; K2027-E2030 IonicContact NZ-OE1 3.4Å; K2027-E2030 PolarHBondContact NZ-OE1 3.06Å; K2027-E2030 IonicContact NZ-OE2 2.83Å; K2027-E2030 PolarHBondContact NZ-OE2 3.19Å; K2027-L2031 WeakPolarHBondContact O-CB 3.38Å; K2027-L2031 WeakPolarHBondContact O-CD1 3.48Å; K2027-L2031 VanDerWaalsContact O-CG 3.22Å; K2027-L2031 WeakPolarHBondContact O-CG 3.19Å; K2027-L2031 PolarHBondContact O-N 3.11Å
2028	F	70.3	Confident	66.3	Low	56 Å²	56	65.8 Å²	65.8	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-70.9	-44.1	172.3	178.4	-117	0	0	0	112.2	F1824 M1826 F1851 I1900 I2024 L2025 H2026 E2030 L2031 L2032	F1824-F2028 HydrophobicContact CD2-CE2 4.47Å; F1824-F2028 AromaticContact CE1-CE2 3.93Å; F1824-F2028 HydrophobicContact CE1-CE2 3.93Å; F1824-F2028 HydrophobicContact CE1-CZ 4.07Å; F1824-F2028 AromaticContact CE2-CD2 3.8Å; F1824-F2028 HydrophobicContact CE2-CD2 3.8Å; F1824-F2028 AromaticContact CE2-CE2 3.52Å; F1824-F2028 HydrophobicContact CE2-CE2 3.65Å; F1824-F2028 VanDerWaalsContact CE2-CE2 3.42Å; F1824-F2028 HydrophobicContact CE2-CZ 4.25Å; F1824-F2028 AromaticContact CZ-CD2 3.6Å; F1824-F2028 HydrophobicContact CZ-CD2 3.96Å; F1824-F2028 HydrophobicContact CZ-CE1 4.33Å; F1824-F2028 AromaticContact CZ-CE2 3.46Å; F1824-F2028 HydrophobicContact CZ-CE2 3.46Å; F1824-F2028 VanDerWaalsContact CZ-CE2 3.4Å; F1824-F2028 HydrophobicContact CZ-CG 4.42Å; F1824-F2028 AromaticContact CZ-CZ 3.52Å; F1824-F2028 HydrophobicContact CZ-CZ 3.87Å; F1824-F2028 VanDerWaalsContact CZ-CZ 3.49Å; M1826-F2028 HydrophobicContact CE-CB 4Å; M1826-F2028 HydrophobicContact CE-CD2 3.73Å; M1826-F2028 VanDerWaalsContact CE-CD2 3.49Å; M1826-F2028 HydrophobicContact CE-CE2 3.88Å; M1826-F2028 HydrophobicContact SD-CD2 4.08Å; F1851-F2028 HydrophobicContact CE1-CB 4.38Å; F1851-F2028 HydrophobicContact CE1-CD1 4.44Å; F1851-F2028 HydrophobicContact CE1-CD2 4.43Å; F1851-F2028 HydrophobicContact CE1-CG 4.25Å; F1851-F2028 HydrophobicContact CZ-CB 4.31Å; F1851-F2028 HydrophobicContact CZ-CD2 4.33Å; F1851-F2028 HydrophobicContact CZ-CG 4.21Å; I1900-F2028 HydrophobicContact CD1-CE1 4.37Å; I2024-F2028 WeakPolarHBondContact O-CB 3.37Å; I2024-F2028 PolarHBondContact O-N 3.08Å; L2025-F2028 HydrophobicContact CD1-CD1 4.31Å; L2025-F2028 PolarHBondContact O-N 2.94Å; H2026-F2028 VanDerWaalsContact C-N 3.27Å; H2026-F2028 PolarHBondContact O-N 3.22Å; F2028-E2030 VanDerWaalsContact C-N 3.29Å; F2028-E2030 PolarHBondContact O-N 3.48Å; F2028-L2031 WeakPolarHBondContact O-CB 3.46Å; F2028-L2031 PolarHBondContact O-N 3.08Å; F2028-L2032 HydrophobicContact CD1-CD1 4.17Å; F2028-L2032 HydrophobicContact CD1-CG 4.46Å; F2028-L2032 HydrophobicContact CD2-CD1 4.38Å; F2028-L2032 HydrophobicContact CD2-CG 4.27Å; F2028-L2032 HydrophobicContact CE1-CD1 3.71Å; F2028-L2032 VanDerWaalsContact CE1-CD1 3.49Å; F2028-L2032 HydrophobicContact CE1-CG 4.21Å; F2028-L2032 HydrophobicContact CE2-CD1 4.17Å; F2028-L2032 HydrophobicContact CE2-CD2 4.27Å; F2028-L2032 HydrophobicContact CE2-CG 4.13Å; F2028-L2032 HydrophobicContact CZ-CD1 3.77Å; F2028-L2032 HydrophobicContact CZ-CD2 4.45Å; F2028-L2032 HydrophobicContact CZ-CG 4.27Å; F2028-L2032 WeakPolarHBondContact O-CB 3.31Å; F2028-L2032 VanDerWaalsContact O-CG 3.27Å; F2028-L2032 WeakPolarHBondContact O-CG 3.4Å; F2028-L2032 PolarHBondContact O-N 3.09Å
2029	V	73	Confident	63.8	Low	76 Å²	76	70.7 Å²	70.7	46%	0.461	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-41.2	173.1	171.6	0	0	0	0	111	L2025 H2026 L2031 L2032 T2033	L2025-V2029 HydrophobicContact CD2-CG2 4.1Å; L2025-V2029 WeakPolarHBondContact O-CB 3.36Å; L2025-V2029 WeakPolarHBondContact O-CG2 3.37Å; L2025-V2029 PolarHBondContact O-N 3.21Å; H2026-V2029 PolarHBondContact O-N 3.06Å; V2029-L2031 PolarHBondContact O-N 3.11Å; V2029-L2032 PolarHBondContact O-N 3.21Å; V2029-L2032 VanDerWaalsContact O-N 3.14Å; V2029-T2033 HydrophobicContact CG1-CG2 4.38Å; V2029-T2033 WeakPolarHBondContact O-CB 3.35Å; V2029-T2033 WeakPolarHBondContact O-CG2 3.42Å; V2029-T2033 PolarHBondContact O-N 3.13Å; V2029-T2033 PolarHBondContact O-OG1 3.19Å; V2029-T2033 VanDerWaalsContact O-OG1 3.1Å
2030	E	67.5	Low	61.4	Low	55.6 Å²	55.6	78.3 Å²	78.3	26%	0.26	39%	0.39	S	S	.	.	H	α-helix	trans	-58	-47.4	174	-166.8	-179.6	143.6	0	0	111.2	H2026 K2027 F2028 L2032 T2033 I2034	H2026-E2030 IonicContact CE1-OE2 3.31Å; H2026-E2030 PolarHBondContact CE1-OE2 2.97Å; H2026-E2030 VanDerWaalsContact CE1-OE2 3.23Å; H2026-E2030 IonicContact ND1-OE2 3.01Å; H2026-E2030 PolarHBondContact ND1-OE2 3.17Å; H2026-E2030 VanDerWaalsContact ND1-OE2 3.16Å; H2026-E2030 VanDerWaalsContact O-CB 3.28Å; H2026-E2030 WeakPolarHBondContact O-CB 3.35Å; H2026-E2030 PolarHBondContact O-N 3.35Å; K2027-E2030 VanDerWaalsContact CD-OE2 3.3Å; K2027-E2030 WeakPolarHBondContact CD-OE2 3.31Å; K2027-E2030 VanDerWaalsContact CE-OE2 3.23Å; K2027-E2030 WeakPolarHBondContact CE-OE2 3.37Å; K2027-E2030 IonicContact NZ-OE1 3.4Å; K2027-E2030 PolarHBondContact NZ-OE1 3.06Å; K2027-E2030 IonicContact NZ-OE2 2.83Å; K2027-E2030 PolarHBondContact NZ-OE2 3.19Å; F2028-E2030 VanDerWaalsContact C-N 3.29Å; F2028-E2030 PolarHBondContact O-N 3.48Å; E2030-L2032 VanDerWaalsContact C-N 3.3Å; E2030-L2032 PolarHBondContact O-N 3.28Å; E2030-T2033 WeakPolarHBondContact CA-OG1 3.43Å; E2030-T2033 PolarHBondContact O-N 3.15Å; E2030-T2033 VanDerWaalsContact O-N 3.12Å; E2030-T2033 PolarHBondContact O-OG1 3.27Å; E2030-T2033 VanDerWaalsContact O-OG1 3.08Å; E2030-I2034 HydrophobicContact CG-CD1 4.24Å; E2030-I2034 HydrophobicContact CG-CG1 4.41Å; E2030-I2034 VanDerWaalsContact O-CB 3.31Å; E2030-I2034 WeakPolarHBondContact O-CB 3.26Å; E2030-I2034 WeakPolarHBondContact O-CD1 3.35Å; E2030-I2034 VanDerWaalsContact O-CG1 3.24Å; E2030-I2034 WeakPolarHBondContact O-CG1 3.34Å; E2030-I2034 PolarHBondContact O-N 3.07Å
2031	L	62.1	Low	59.1	Low	53.8 Å²	53.8	83 Å²	83	28%	0.282	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-40.7	174.1	-141.3	106.1	0	0	0	112.8	M1826 P1827 Y1828 F1832 K2027 F2028 V2029 T2033 I2034 Y2035	M1826-L2031 HydrophobicContact CE-CB 3.91Å; M1826-L2031 HydrophobicContact CE-CD2 3.66Å; M1826-L2031 HydrophobicContact CE-CG 4.33Å; M1826-L2031 HydrophobicContact SD-CD1 4.37Å; M1826-L2031 HydrophobicContact SD-CD2 3.76Å; P1827-L2031 HydrophobicContact CG-CD1 4.31Å; P1827-L2031 HydrophobicContact CG-CD2 4.08Å; Y1828-L2031 HydrophobicContact CD2-CD1 4.4Å; Y1828-L2031 HydrophobicContact CD2-CD2 3.92Å; Y1828-L2031 HydrophobicContact CE2-CD1 4.17Å; Y1828-L2031 HydrophobicContact CE2-CD2 4.1Å; F1832-L2031 HydrophobicContact CE2-CD1 4.39Å; K2027-L2031 WeakPolarHBondContact O-CB 3.38Å; K2027-L2031 WeakPolarHBondContact O-CD1 3.48Å; K2027-L2031 VanDerWaalsContact O-CG 3.22Å; K2027-L2031 WeakPolarHBondContact O-CG 3.19Å; K2027-L2031 PolarHBondContact O-N 3.11Å; F2028-L2031 WeakPolarHBondContact O-CB 3.46Å; F2028-L2031 PolarHBondContact O-N 3.08Å; V2029-L2031 PolarHBondContact O-N 3.11Å; L2031-T2033 VanDerWaalsContact C-N 3.3Å; L2031-T2033 PolarHBondContact O-N 3.24Å; L2031-I2034 PolarHBondContact O-N 3.04Å; L2031-Y2035 HydrophobicContact CD1-CE2 4.07Å; L2031-Y2035 HydrophobicContact CD2-CE2 4.37Å; L2031-Y2035 HydrophobicContact CG-CE2 4.09Å; L2031-Y2035 WeakPolarHBondContact O-CB 3.32Å; L2031-Y2035 VanDerWaalsContact O-CD2 3.26Å; L2031-Y2035 WeakPolarHBondContact O-CD2 3.43Å; L2031-Y2035 PolarHBondContact O-N 2.98Å; L2031-Y2035 VanDerWaalsContact O-N 3.1Å
2032	L	60.6	Low	56.5	Low	97.8 Å²	97.8	89 Å²	89	51%	0.512	45%	0.452	S	S	.	.	H	α-helix	trans	-67.5	-31.7	177	-71.9	174.7	0	0	0	112.9	F2028 V2029 E2030 I2034 Y2035	F2028-L2032 HydrophobicContact CD1-CD1 4.17Å; F2028-L2032 HydrophobicContact CD1-CG 4.46Å; F2028-L2032 HydrophobicContact CD2-CD1 4.38Å; F2028-L2032 HydrophobicContact CD2-CG 4.27Å; F2028-L2032 HydrophobicContact CE1-CD1 3.71Å; F2028-L2032 VanDerWaalsContact CE1-CD1 3.49Å; F2028-L2032 HydrophobicContact CE1-CG 4.21Å; F2028-L2032 HydrophobicContact CE2-CD1 4.17Å; F2028-L2032 HydrophobicContact CE2-CD2 4.27Å; F2028-L2032 HydrophobicContact CE2-CG 4.13Å; F2028-L2032 HydrophobicContact CZ-CD1 3.77Å; F2028-L2032 HydrophobicContact CZ-CD2 4.45Å; F2028-L2032 HydrophobicContact CZ-CG 4.27Å; F2028-L2032 WeakPolarHBondContact O-CB 3.31Å; F2028-L2032 VanDerWaalsContact O-CG 3.27Å; F2028-L2032 WeakPolarHBondContact O-CG 3.4Å; F2028-L2032 PolarHBondContact O-N 3.09Å; V2029-L2032 PolarHBondContact O-N 3.21Å; V2029-L2032 VanDerWaalsContact O-N 3.14Å; E2030-L2032 VanDerWaalsContact C-N 3.3Å; E2030-L2032 PolarHBondContact O-N 3.28Å; L2032-I2034 VanDerWaalsContact C-N 3.3Å; L2032-I2034 PolarHBondContact O-N 3.24Å; L2032-Y2035 PolarHBondContact O-N 3.05Å
2033	T	61.1	Low	54.1	Low	88.4 Å²	88.4	92.8 Å²	92.8	54%	0.542	48%	0.478	S	S	.	.	H	α-helix	trans	-86.2	-20.4	-178.7	53.9	0	0	0	0	114.1	V2029 E2030 L2031 Y2035	V2029-T2033 HydrophobicContact CG1-CG2 4.38Å; V2029-T2033 WeakPolarHBondContact O-CB 3.35Å; V2029-T2033 WeakPolarHBondContact O-CG2 3.42Å; V2029-T2033 PolarHBondContact O-N 3.13Å; V2029-T2033 PolarHBondContact O-OG1 3.19Å; V2029-T2033 VanDerWaalsContact O-OG1 3.1Å; E2030-T2033 WeakPolarHBondContact CA-OG1 3.43Å; E2030-T2033 PolarHBondContact O-N 3.15Å; E2030-T2033 VanDerWaalsContact O-N 3.12Å; E2030-T2033 PolarHBondContact O-OG1 3.27Å; E2030-T2033 VanDerWaalsContact O-OG1 3.08Å; L2031-T2033 VanDerWaalsContact C-N 3.3Å; L2031-T2033 PolarHBondContact O-N 3.24Å; T2033-Y2035 VanDerWaalsContact C-N 3.32Å; T2033-Y2035 WeakPolarHBondContact O-CD2 3.31Å; T2033-Y2035 PolarHBondContact O-N 3.37Å
2034	I	51	Low	51.7	Low	100.4 Å²	100.4	96.8 Å²	96.8	52%	0.515	50%	0.502	S	S	.	.	H	α-helix	trans	-73.5	18	174.7	-68.8	164.2	0	0	0	111	E2030 L2031 L2032 D2036 N2038	E2030-I2034 HydrophobicContact CG-CD1 4.24Å; E2030-I2034 HydrophobicContact CG-CG1 4.41Å; E2030-I2034 VanDerWaalsContact O-CB 3.31Å; E2030-I2034 WeakPolarHBondContact O-CB 3.26Å; E2030-I2034 WeakPolarHBondContact O-CD1 3.35Å; E2030-I2034 VanDerWaalsContact O-CG1 3.24Å; E2030-I2034 WeakPolarHBondContact O-CG1 3.34Å; E2030-I2034 PolarHBondContact O-N 3.07Å; L2031-I2034 PolarHBondContact O-N 3.04Å; L2032-I2034 VanDerWaalsContact C-N 3.3Å; L2032-I2034 PolarHBondContact O-N 3.24Å; I2034-D2036 VanDerWaalsContact C-N 3.31Å; I2034-D2036 PolarHBondContact O-N 3.31Å; I2034-N2038 PolarHBondContact O-ND2 3.23Å
2035	Y	46.5	Very low	49.5	Very low	108.8 Å²	108.8	101.9 Å²	101.9	43%	0.427	54%	0.537	S	S	.	.			trans	-81.3	36.1	174.4	-92	-87.5	0	0	0	112.9	L1737 T1776 G1777 L2031 L2032 T2033 M2037 N2039	L1737-Y2035 HydrophobicContact CD2-CE1 4.15Å; T1776-Y2035 VanDerWaalsContact C-CZ 3.46Å; T1776-Y2035 HydrophobicContact CG2-CD1 4.01Å; T1776-Y2035 HydrophobicContact CG2-CE1 4.24Å; T1776-Y2035 VanDerWaalsContact O-CE2 3.23Å; T1776-Y2035 WeakPolarHBondContact O-CE2 3.47Å; G1777-Y2035 PolarHBondContact N-OH 3.01Å; L2031-Y2035 HydrophobicContact CD1-CE2 4.07Å; L2031-Y2035 HydrophobicContact CD2-CE2 4.37Å; L2031-Y2035 HydrophobicContact CG-CE2 4.09Å; L2031-Y2035 WeakPolarHBondContact O-CB 3.32Å; L2031-Y2035 VanDerWaalsContact O-CD2 3.26Å; L2031-Y2035 WeakPolarHBondContact O-CD2 3.43Å; L2031-Y2035 PolarHBondContact O-N 2.98Å; L2031-Y2035 VanDerWaalsContact O-N 3.1Å; L2032-Y2035 PolarHBondContact O-N 3.05Å; T2033-Y2035 VanDerWaalsContact C-N 3.32Å; T2033-Y2035 WeakPolarHBondContact O-CD2 3.31Å; T2033-Y2035 PolarHBondContact O-N 3.37Å; Y2035-M2037 VanDerWaalsContact C-N 3.3Å; Y2035-M2037 HydrophobicContact CD1-CE 4.01Å; Y2035-M2037 HydrophobicContact CD1-CG 3.9Å; Y2035-M2037 HydrophobicContact CE1-CE 3.34Å; Y2035-M2037 HydrophobicContact CE1-CG 4.09Å; Y2035-M2037 HydrophobicContact CE2-CE 4.41Å; Y2035-M2037 PolarHBondContact O-N 3.26Å; Y2035-N2039 PolarHBondContact O-ND2 3.32Å
2036	D	40.8	Very low	47	Very low	90.6 Å²	90.6	106.5 Å²	106.5	48%	0.484	56%	0.561	S	S	.	*			trans	-57.4	36.7	173.4	-130.7	-5	0	0	0	113	I2034 N2038 N2039 Q2788	I2034-D2036 VanDerWaalsContact C-N 3.31Å; I2034-D2036 PolarHBondContact O-N 3.31Å; D2036-N2038 VanDerWaalsContact C-N 3.27Å; D2036-N2038 PolarHBondContact O-N 3.17Å; D2036-N2038 WeakPolarHBondContact OD1-CB 3.4Å; D2036-N2038 PolarHBondContact OD1-N 3.13Å; D2036-N2038 PolarHBondContact OD1-ND2 3.5Å; D2036-N2039 WeakPolarHBondContact O-CB 3.33Å; D2036-N2039 PolarHBondContact O-N 3.07Å; D2036-N2039 PolarHBondContact OD2-ND2 3Å; D2036-Q2788 WeakPolarHBondContact OD2-CG 3.47Å; D2036-Q2788 PolarHBondContact OD2-NE2 3.44Å
2037	M	34	Very low	44.7	Very low	138.2 Å²	138.2	106.9 Å²	106.9	68%	0.681	58%	0.575	S	S	*	*			trans	-70.2	3.2	-179.7	-76.4	-70.4	172.5	0	0	113.8	Y2035 N2039 Y2040	Y2035-M2037 VanDerWaalsContact C-N 3.3Å; Y2035-M2037 HydrophobicContact CD1-CE 4.01Å; Y2035-M2037 HydrophobicContact CD1-CG 3.9Å; Y2035-M2037 HydrophobicContact CE1-CE 3.34Å; Y2035-M2037 HydrophobicContact CE1-CG 4.09Å; Y2035-M2037 HydrophobicContact CE2-CE 4.41Å; Y2035-M2037 PolarHBondContact O-N 3.26Å; M2037-N2039 PolarHBondContact O-N 3.03Å; M2037-N2039 VanDerWaalsContact O-N 3.07Å; M2037-Y2040 PolarHBondContact O-N 3.42Å
2038	N	33.4	Very low	42.6	Very low	116.8 Å²	116.8	114.2 Å²	114.2	63%	0.625	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-94.9	12.2	-177.8	-79.1	-53.7	0	0	0	114.2	R1740 I2034 D2036 Y2040	R1740-N2038 PolarHBondContact NH2-O 2.87Å; I2034-N2038 PolarHBondContact O-ND2 3.23Å; D2036-N2038 VanDerWaalsContact C-N 3.27Å; D2036-N2038 PolarHBondContact O-N 3.17Å; D2036-N2038 WeakPolarHBondContact OD1-CB 3.4Å; D2036-N2038 PolarHBondContact OD1-N 3.13Å; D2036-N2038 PolarHBondContact OD1-ND2 3.5Å; N2038-Y2040 VanDerWaalsContact C-N 3.27Å; N2038-Y2040 PolarHBondContact O-N 3.36Å
2039	N	33.5	Very low	40.7	Very low	111 Å²	111	118.9 Å²	118.9	59%	0.594	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-102.9	16.1	179.3	-94.2	-23.8	0	0	0	114.1	R1740 T1776 Y2035 D2036 M2037 H2786	R1740-N2039 PolarHBondContact NH2-OD1 3.12Å; T1776-N2039 WeakPolarHBondContact CG2-ND2 3.45Å; Y2035-N2039 PolarHBondContact O-ND2 3.32Å; D2036-N2039 WeakPolarHBondContact O-CB 3.33Å; D2036-N2039 PolarHBondContact O-N 3.07Å; D2036-N2039 PolarHBondContact OD2-ND2 3Å; M2037-N2039 PolarHBondContact O-N 3.03Å; M2037-N2039 VanDerWaalsContact O-N 3.07Å; N2039-H2786 PolarHBondContact ND2-CE1 3.32Å; N2039-H2786 PolarHBondContact ND2-ND1 2.86Å; N2039-H2786 VanDerWaalsContact ND2-ND1 3.12Å; N2039-H2786 PolarHBondContact OD1-CE1 2.94Å; N2039-H2786 PolarHBondContact OD1-ND1 2.84Å; N2039-H2786 VanDerWaalsContact OD1-ND1 3.12Å
2040	Y	31.8	Very low	38.7	Very low	188.4 Å²	188.4	123.1 Å²	123.1	74%	0.739	64%	0.641	S	S	*	*			trans	-114.3	79	174.7	-78.8	-80.9	0	0	0	113	M2037 N2038 H2786	M2037-Y2040 PolarHBondContact O-N 3.42Å; N2038-Y2040 VanDerWaalsContact C-N 3.27Å; N2038-Y2040 PolarHBondContact O-N 3.36Å; Y2040-H2786 AromaticContact CD1-CE1 3.69Å; Y2040-H2786 AromaticContact CE1-CE1 3.55Å; Y2040-H2786 AromaticContact CE1-ND1 3.65Å
2041	N	29.9	Very low	37	Very low	141 Å²	141	125.6 Å²	125.6	75%	0.754	66%	0.664	S	S	*	*			trans	-118.1	84.4	175	-72.8	-38.3	0	0	0	115	T2043	N2041-T2043 VanDerWaalsContact C-N 3.32Å; N2041-T2043 PolarHBondContact O-N 2.92Å
2042	T	28	Very low	35.5	Very low	133.2 Å²	133.2	128 Å²	128	82%	0.817	69%	0.686	S	S	*	*			trans	-98.7	67.3	170.3	45.3	0	0	0	0	112.9	T2044	T2042-T2044 PolarHBondContact O-N 3.25Å
2043	T	31.1	Very low	34.1	Very low	126.2 Å²	126.2	129.2 Å²	129.2	77%	0.774	70%	0.7	S	S	*	*			trans	-128.7	99.5	161.9	49.3	0	0	0	0	112.6	N2041 P2045	N2041-T2043 VanDerWaalsContact C-N 3.32Å; N2041-T2043 PolarHBondContact O-N 2.92Å; T2043-P2045 WeakPolarHBondContact O-CD 3.41Å
2044	T	28.7	Very low	32.7	Very low	126.4 Å²	126.4	132.7 Å²	132.7	78%	0.775	71%	0.713	S	S	*	*			trans	-81.9	129.2	164.8	48.2	0	0	0	0	113.5	T2042 L2046	T2042-T2044 PolarHBondContact O-N 3.25Å; T2044-L2046 VanDerWaalsContact C-N 3.27Å; T2044-L2046 PolarHBondContact O-N 3.13Å
2045	P	28.7	Very low	31.7	Very low	122 Å²	122	135.7 Å²	135.7	79%	0.792	73%	0.725	S	S	*	*			trans	-99.5	139.3	153.8	34.1	-31.7	0	0	0	112.7	T2043 S2047	T2043-P2045 WeakPolarHBondContact O-CD 3.41Å; P2045-S2047 PolarHBondContact O-N 3.45Å
2046	L	27.2	Very low	30.9	Very low	153.2 Å²	153.2	136.4 Å²	136.4	80%	0.802	74%	0.74	S	S	*	*			trans	-62.9	130.6	174	-117.2	77	0	0	0	114	T2044 R2048	T2044-L2046 VanDerWaalsContact C-N 3.27Å; T2044-L2046 PolarHBondContact O-N 3.13Å; L2046-R2048 VanDerWaalsContact C-N 3.29Å; L2046-R2048 HydrophobicContact CD2-CB 4.41Å; L2046-R2048 PolarHBondContact O-N 3.32Å
2047	S	28.5	Very low	30.4	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	75%	0.752	S	S	*	*			trans	-111.9	126.7	157.2	61.9	0	0	0	0	111.2	P2045 I2049	P2045-S2047 PolarHBondContact O-N 3.45Å; S2047-I2049 PolarHBondContact O-N 2.99Å; S2047-I2049 VanDerWaalsContact O-N 3.12Å
2048	R	27.4	Very low	30	Very low	208.4 Å²	208.4	140.6 Å²	140.6	79%	0.786	76%	0.757	S	S	*	*			trans	-176.4	122.4	155	-127.2	177.3	-123.7	-175.6	1.5	112.8	L2046 H2050	L2046-R2048 VanDerWaalsContact C-N 3.29Å; L2046-R2048 HydrophobicContact CD2-CB 4.41Å; L2046-R2048 PolarHBondContact O-N 3.32Å; R2048-H2050 PolarHBondContact NE-NE2 3.38Å; R2048-H2050 PolarHBondContact O-N 3.33Å
2049	I	30.2	Very low	29.9	Very low	153 Å²	153	141.1 Å²	141.1	79%	0.785	76%	0.764	S	S	*	*			trans	-59.1	129.6	154.4	-45.4	177.7	0	0	0	112.6	S2047 S2051	S2047-I2049 PolarHBondContact O-N 2.99Å; S2047-I2049 VanDerWaalsContact O-N 3.12Å; I2049-S2051 PolarHBondContact O-N 3.34Å
2050	H	30.4	Very low	29.8	Very low	164 Å²	164	140.6 Å²	140.6	76%	0.759	77%	0.77	S	S	*	*			trans	-117.3	138.5	149.5	-104.4	-89.6	0	0	0	112.8	R2048	R2048-H2050 PolarHBondContact NE-NE2 3.38Å; R2048-H2050 PolarHBondContact O-N 3.33Å
2051	S	31.1	Very low	29.6	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	77%	0.77	S	S	*	*			trans	-98.1	128.4	156.2	54.8	0	0	0	0	113.6	I2049	I2049-S2051 PolarHBondContact O-N 3.34Å
2052	S	30.8	Very low	29.6	Very low	105.4 Å²	105.4	138.1 Å²	138.1	74%	0.737	78%	0.777	S	S	*	*				-125	144.5	64.6	59.5	0	0	0	0	113.3
2053	P	31.8	Very low	29.6	Very low	122.8 Å²	122.8	140.4 Å²	140.4	80%	0.797	78%	0.775	S	S	*	*			trans	-101.7	150	179.6	33.2	-24.2	0	0	0	113.5
2054	I	32.6	Very low	29.6	Very low	161.2 Å²	161.2	140.6 Å²	140.6	83%	0.827	78%	0.776	S	S	*	*			trans	-133.5	134.3	150.4	-65.7	-178.8	0	0	0	109.5
2055	H	29.3	Very low	29.6	Very low	165 Å²	165	140.7 Å²	140.7	76%	0.764	77%	0.772	S	S	*	*			trans	-27.6	139	164.1	-98.6	-102.3	0	0	0	116.3
2056	V	30	Very low	29.7	Very low	121.8 Å²	121.8	140.5 Å²	140.5	74%	0.738	77%	0.77	S	S	*	*				148.4	124.3	114.8	168.9	0	0	0	0	111.6
2057	K	29	Very low	29.9	Very low	172.6 Å²	172.6	139.5 Å²	139.5	75%	0.75	77%	0.771	S	S	*	*				-152.7	144.3	98.2	-91.8	171.1	-173.2	175.9	0	114
2058	N	27.2	Very low	30	Very low	145.8 Å²	145.8	142 Å²	142	78%	0.78	78%	0.775	S	S	*	*				-78.1	146.8	129.4	-69.3	-9.6	0	0	0	114.4
2059	T	30.5	Very low	29.9	Very low	126.2 Å²	126.2	137.4 Å²	137.4	77%	0.774	77%	0.773	S	S	*	*				-162.6	143.2	117.6	39.7	0	0	0	0	115.5
2060	S	30.9	Very low	29.8	Very low	101.4 Å²	101.4	139.9 Å²	139.9	71%	0.709	77%	0.773	S	S	*	*				149.4	137	122.4	51	0	0	0	0	115.3
2061	S	28.3	Very low	29.7	Very low	106.8 Å²	106.8	138.7 Å²	138.7	75%	0.747	77%	0.768	S	S	*	*				85.4	116.9	119.4	68.1	0	0	0	0	116.8
2062	L	30.2	Very low	29.4	Very low	170.2 Å²	170.2	141.2 Å²	141.2	89%	0.891	77%	0.765	S	S	*	*			trans	-146.5	153.4	134.6	-95.1	150.6	0	0	0	110.2
2063	K	27.5	Very low	29.2	Very low	180.8 Å²	180.8	144.1 Å²	144.1	79%	0.786	77%	0.767	S	S	*	*			trans	-155.3	152.2	162.3	-100.3	-175.1	175.2	-173	0	112.1	D2065	K2063-D2065 WeakPolarHBondContact CE-OD1 3.48Å
2064	V	31	Very low	29	Very low	130 Å²	130	142.9 Å²	142.9	79%	0.788	77%	0.767	S	S	*	*			trans	133.7	144.7	148.6	-176.5	0	0	0	0	113.1
2065	D	28	Very low	28.8	Very low	130 Å²	130	140.7 Å²	140.7	70%	0.695	77%	0.766	S	S	*	*				-126.2	156.8	-75.3	-84.4	-40.1	0	0	0	113.6	K2063 T2067	K2063-D2065 WeakPolarHBondContact CE-OD1 3.48Å; D2065-T2067 HydrophobicContact CB-CG2 4.27Å; D2065-T2067 PolarHBondContact O-N 3.03Å
2066	P	32.4	Very low	28.8	Very low	117 Å²	117	137.9 Å²	137.9	76%	0.76	77%	0.765	S	S	*	*			trans	-105.4	134.6	-178.5	38.4	-32.2	0	0	0	115
2067	T	31.3	Very low	28.9	Very low	131.2 Å²	131.2	137.7 Å²	137.7	81%	0.805	77%	0.766	S	S	*	*			trans	-143.5	146.3	168.9	46.7	0	0	0	0	113.7	D2065	D2065-T2067 HydrophobicContact CB-CG2 4.27Å; D2065-T2067 PolarHBondContact O-N 3.03Å
2068	L	29.7	Very low	29.1	Very low	160 Å²	160	136.5 Å²	136.5	84%	0.838	77%	0.767	S	S	*	*			trans	86.8	114	162.3	-91.1	125.1	0	0	0	115.4
2069	C	25.6	Very low	29.3	Very low	111.4 Å²	111.4	135.1 Å²	135.1	75%	0.753	77%	0.765	S	S	*	*				32.7	132.2	113.3	-79.6	0	0	0	0	116
2070	R	28.9	Very low	29.1	Very low	206 Å²	206	134.9 Å²	134.9	78%	0.777	77%	0.769	S	S	*	*				153.3	142	107.1	-103.8	173.5	178.9	-168.3	3.5	114.7	F2072	R2070-F2072 HydrophobicContact CB-CD2 4.29Å; R2070-F2072 HydrophobicContact CB-CE2 4.33Å; R2070-F2072 HydrophobicContact CG-CE2 4.32Å; R2070-F2072 PolarHBondContact O-N 2.92Å
2071	Q	26.9	Very low	29.1	Very low	139.8 Å²	139.8	133.3 Å²	133.3	65%	0.653	77%	0.769	S	S	*	*			trans	-61.6	145.4	146.9	-77.2	166.9	-52.5	0	0	114.1	H2073	Q2071-H2073 PolarHBondContact O-N 3.21Å
2072	F	26.1	Very low	29.1	Very low	159.4 Å²	159.4	133.6 Å²	133.6	70%	0.699	77%	0.771	S	S	*	*				170.2	129.1	127.3	-86.6	-75.7	0	0	0	115.5	R2070 A2074	R2070-F2072 HydrophobicContact CB-CD2 4.29Å; R2070-F2072 HydrophobicContact CB-CE2 4.33Å; R2070-F2072 HydrophobicContact CG-CE2 4.32Å; R2070-F2072 PolarHBondContact O-N 2.92Å; F2072-A2074 PolarHBondContact O-N 3.33Å; F2072-A2074 VanDerWaalsContact O-N 3.15Å
2073	H	26.8	Very low	29	Very low	166.8 Å²	166.8	130.9 Å²	130.9	77%	0.772	76%	0.761	S	S	*	*			trans	47.9	122.9	140.7	-73.6	-81.9	0	0	0	117.9	Q2071 S2075	Q2071-H2073 PolarHBondContact O-N 3.21Å; H2073-S2075 PolarHBondContact O-N 3.23Å
2074	A	27.9	Very low	29	Very low	96.8 Å²	96.8	132.1 Å²	132.1	80%	0.8	76%	0.762	S	S	*	*			trans	-145.3	127.4	159.2	0	0	0	0	0	114.1	F2072 S2076	F2072-A2074 PolarHBondContact O-N 3.33Å; F2072-A2074 VanDerWaalsContact O-N 3.15Å; A2074-S2076 PolarHBondContact O-N 3.46Å
2075	S	28.3	Very low	28.9	Very low	116 Å²	116	130.6 Å²	130.6	81%	0.811	76%	0.758	S	S	*	*			trans	-159.8	137.3	162.9	39.1	0	0	0	0	111.6	H2073 P2077	H2073-S2075 PolarHBondContact O-N 3.23Å; S2075-P2077 VanDerWaalsContact O-CD 3.23Å; S2075-P2077 WeakPolarHBondContact O-CD 3.49Å
2076	S	29.2	Very low	28.9	Very low	105.6 Å²	105.6	131 Å²	131	74%	0.738	76%	0.76	S	S	*	*			trans	-73.6	153.4	174.6	155.8	0	0	0	0	112.9	A2074	A2074-S2076 PolarHBondContact O-N 3.46Å
2077	P	31.8	Very low	28.5	Very low	117.4 Å²	117.4	130.7 Å²	130.7	76%	0.762	76%	0.759	S	S	*	*				-127.2	166.4	71.3	33.2	-17.3	0	0	0	115.1	S2075	S2075-P2077 VanDerWaalsContact O-CD 3.23Å; S2075-P2077 WeakPolarHBondContact O-CD 3.49Å
2078	I	32.2	Very low	28.3	Very low	148.4 Å²	148.4	133.8 Å²	133.8	76%	0.761	76%	0.762	S	S	*	*			trans	-56.2	142	157.7	-57.3	164.6	0	0	0	111	S2080	I2078-S2080 PolarHBondContact O-N 3.42Å; I2078-S2080 PolarHBondContact O-OG 3.24Å
2079	P	31.9	Very low	28.1	Very low	116.2 Å²	116.2	135.6 Å²	135.6	76%	0.755	76%	0.757	S	S	*	*				-120.9	160.1	97	31.7	-18.8	0	0	0	113.7	G2081	P2079-G2081 PolarHBondContact O-N 2.81Å
2080	S	27.2	Very low	28.1	Very low	122 Å²	122	136.2 Å²	136.2	85%	0.853	75%	0.753	S	S	*	*			trans	-144.7	130.8	-170.7	37.3	0	0	0	0	112.4	I2078	I2078-S2080 PolarHBondContact O-N 3.42Å; I2078-S2080 PolarHBondContact O-OG 3.24Å
2081	G	29.1	Very low	28	Very low	68 Å²	68	132.8 Å²	132.8	70%	0.701	75%	0.749	S	S	*	*			trans	179.4	139.5	169.3	0	0	0	0	0	112.5	P2079	P2079-G2081 PolarHBondContact O-N 2.81Å
2082	S	28.7	Very low	28	Very low	112.8 Å²	112.8	133 Å²	133	79%	0.789	75%	0.754	S	S	*	*			trans	55.7	139.2	176.3	107	0	0	0	0	115.9
2083	V	27.7	Very low	28.2	Very low	114 Å²	114	132.6 Å²	132.6	69%	0.691	76%	0.759	S	S	*	*			cis	163.7	136.5	26.7	-179.2	0	0	0	0	111.5
2084	Y	29.4	Very low	28.2	Very low	204.8 Å²	204.8	130.4 Å²	130.4	80%	0.803	75%	0.753	S	S	*	*			trans	87.5	134.8	165	-68.8	-88.6	0	0	0	114.6	S1974 S1975	S1974-Y2084 PolarHBondContact O-OH 2.79Å; S1975-Y2084 PolarHBondContact N-OH 3.43Å
2085	S	27.9	Very low	28.3	Very low	98.8 Å²	98.8	132.6 Å²	132.6	69%	0.691	75%	0.751	S	S	*	*			cis	157.5	140	48.7	103.8	0	0	0	0	113.5
2086	N	27.4	Very low	28.3	Very low	138.6 Å²	138.6	134.9 Å²	134.9	74%	0.741	75%	0.749	S	S	*	*			trans	161.9	142.8	163.6	-62.1	-16.3	0	0	0	115.4	F2088 R2089	N2086-F2088 WeakPolarHBondContact CB-O 3.44Å; N2086-R2089 HydrophobicContact CB-CG 4.3Å
2087	C	24.9	Very low	28.2	Very low	111.6 Å²	111.6	136.1 Å²	136.1	75%	0.754	76%	0.757	S	S	*	*			trans	-140.6	141.2	133.4	-149.8	0	0	0	0	112
2088	F	26.2	Very low	28	Very low	195.2 Å²	195.2	140 Å²	140	86%	0.856	76%	0.761	S	S	*	*				-125.7	162.6	112.1	-82.1	-88.1	0	0	0	113.8	N2086	N2086-F2088 WeakPolarHBondContact CB-O 3.44Å
2089	R	25.2	Very low	27.9	Very low	197 Å²	197	138.5 Å²	138.5	74%	0.743	76%	0.764	S	S	*	*			trans	-143.6	143.3	170.7	-134.4	-173.4	-167.2	-138.5	5.6	110	A1968 D1969 N2086	A1968-R2089 WeakPolarHBondContact CA-O 3.47Å; A1968-R2089 VanDerWaalsContact CB-O 3.22Å; A1968-R2089 WeakPolarHBondContact CB-O 3.29Å; D1969-R2089 HydrophobicContact CB-CB 3.47Å; D1969-R2089 VanDerWaalsContact CB-CB 3.47Å; D1969-R2089 HydrophobicContact CB-CG 3.6Å; D1969-R2089 VanDerWaalsContact CG-CG 3.5Å; D1969-R2089 WeakPolarHBondContact OD2-CD 3.2Å; D1969-R2089 VanDerWaalsContact OD2-CG 3.25Å; D1969-R2089 WeakPolarHBondContact OD2-CG 3.27Å; D1969-R2089 IonicContact OD2-CZ 2.68Å; D1969-R2089 IonicContact OD2-NE 3.86Å; D1969-R2089 IonicContact OD2-NH1 2.65Å; D1969-R2089 PolarHBondContact OD2-NH1 2.95Å; N2086-R2089 HydrophobicContact CB-CG 4.3Å
2090	N	26.4	Very low	27.7	Very low	124.8 Å²	124.8	136.5 Å²	136.5	67%	0.667	77%	0.765	S	S	*	*			trans	137.9	150.9	159.1	-69.1	10.9	0	0	0	114.6	T1967 D1969	T1967-N2090 CarbonylContact O-C 3.57Å; T1967-N2090 PolarHBondContact O-N 2.77Å; D1969-N2090 HydrophobicContact CB-CB 4.5Å; D1969-N2090 WeakPolarHBondContact OD1-CA 3.45Å; D1969-N2090 WeakPolarHBondContact OD1-CB 3.43Å; D1969-N2090 PolarHBondContact OD1-N 2.79Å; D1969-N2090 PolarHBondContact OD1-ND2 3.45Å
2091	I	27.4	Very low	28	Very low	135.8 Å²	135.8	135.6 Å²	135.6	70%	0.696	76%	0.758	S	S	*	*			trans	-111.7	125.3	156	-61.6	173.4	0	0	0	111.4	T1967 A1968 D1969 D2093	T1967-I2091 CarbonylContact C-O 3.41Å; A1968-I2091 CarbonylContact C-O 2.94Å; A1968-I2091 VanDerWaalsContact CA-O 3.23Å; A1968-I2091 WeakPolarHBondContact CA-O 3.36Å; A1968-I2091 PolarHBondContact N-O 3.06Å; D1969-I2091 PolarHBondContact N-O 3.35Å; D1969-I2091 VanDerWaalsContact OD1-CB 3.27Å; D1969-I2091 WeakPolarHBondContact OD1-CB 3.35Å; D1969-I2091 WeakPolarHBondContact OD1-CD1 3.48Å; D1969-I2091 VanDerWaalsContact OD1-CG1 3.28Å; D1969-I2091 WeakPolarHBondContact OD1-CG1 3.47Å; D1969-I2091 PolarHBondContact OD1-N 3.22Å; I2091-D2093 WeakPolarHBondContact CG2-OD2 3.39Å
2092	L	27.5	Very low	28.3	Very low	144 Å²	144	136.9 Å²	136.9	75%	0.754	75%	0.752	S	S	*	*			trans	-119.3	132.4	133.5	-148	94	0	0	0	108.6	T1967	T1967-L2092 HydrophobicContact CG2-CB 3.49Å; T1967-L2092 VanDerWaalsContact CG2-CB 3.49Å; T1967-L2092 HydrophobicContact CG2-CD2 3.92Å; T1967-L2092 HydrophobicContact CG2-CG 4.33Å
2093	D	29.7	Very low	28.9	Very low	149.2 Å²	149.2	133.9 Å²	133.9	80%	0.798	73%	0.732	S	S	*	*			trans	-151.8	152.6	136	-97.2	-25.4	0	0	0	111.6	I2091	I2091-D2093 WeakPolarHBondContact CG2-OD2 3.39Å
2094	D	27.3	Very low	29.6	Very low	120.6 Å²	120.6	132 Å²	132	65%	0.645	72%	0.724	S	S	*	*			trans	-88.6	151.2	-160.6	-105	-42.7	0	0	0	113	Q2096	D2094-Q2096 PolarHBondContact O-N 3.05Å
2095	N	29.3	Very low	30.2	Very low	143.4 Å²	143.4	126.4 Å²	126.4	77%	0.767	71%	0.707	S	S	*	*				151.4	122.7	129.1	-91.3	-70.1	0	0	0	116.8
2096	Q	27.9	Very low	31.1	Very low	164.4 Å²	164.4	124.7 Å²	124.7	77%	0.768	69%	0.69	S	S	*	*			trans	-62.6	113.7	163.2	-69.5	174.3	57.2	0	0	116.4	D2094	D2094-Q2096 PolarHBondContact O-N 3.05Å
2097	C	27.8	Very low	32.2	Very low	131.8 Å²	131.8	121.7 Å²	121.7	89%	0.891	67%	0.673	S	S	*	*			trans	-150.8	125.9	140.5	-129.3	0	0	0	0	112.5	S2099	C2097-S2099 PolarHBondContact O-N 3.34Å
2098	K	26.2	Very low	33.4	Very low	198 Å²	198	120 Å²	120	86%	0.861	66%	0.656	S	S	*	*			trans	-89	106.3	178.8	-64.6	171.4	-177.2	169.9	0	112.5
2099	S	30.1	Very low	34.5	Very low	118.4 Å²	118.4	114.9 Å²	114.9	83%	0.828	64%	0.635	S	S	*	*			trans	-148.8	125.8	155.9	-176.9	0	0	0	0	111.7	C2097 S2101	C2097-S2099 PolarHBondContact O-N 3.34Å; S2099-S2101 PolarHBondContact O-N 3.26Å
2100	G	28.9	Very low	35.6	Very low	74.2 Å²	74.2	108.6 Å²	108.6	77%	0.765	62%	0.616	S	S	*	*			trans	-116	77.9	167	0	0	0	0	0	116.6
2101	S	33.7	Very low	36.5	Very low	101.4 Å²	101.4	105 Å²	105	71%	0.709	60%	0.603	S	S	*	*			trans	-116.8	84.3	167.3	53.7	0	0	0	0	111.1	S2099 S2103 S2104 L2105	S2099-S2101 PolarHBondContact O-N 3.26Å; S2101-S2103 PolarHBondContact O-N 3.27Å; S2101-S2104 PolarHBondContact O-N 3.43Å; S2101-S2104 PolarHBondContact O-OG 2.79Å; S2101-L2105 PolarHBondContact O-N 3.29Å
2102	V	35.2	Very low	37.5	Very low	95.6 Å²	95.6	102.7 Å²	102.7	58%	0.579	59%	0.592	S	S	*	*			trans	-68.2	123.8	174.8	-176.2	0	0	0	0	108.8	S2104 L2105 D2106 L2107	V2102-S2104 PolarHBondContact O-N 2.92Å; V2102-S2104 VanDerWaalsContact O-N 3.15Å; V2102-L2105 WeakPolarHBondContact O-CB 3.41Å; V2102-L2105 PolarHBondContact O-N 2.74Å; V2102-D2106 HydrophobicContact CG1-CB 3.93Å; V2102-D2106 PolarHBondContact O-N 3.05Å; V2102-D2106 VanDerWaalsContact O-N 3.08Å; V2102-L2107 HydrophobicContact CB-CD1 4.33Å; V2102-L2107 HydrophobicContact CB-CD2 3.95Å; V2102-L2107 HydrophobicContact CB-CG 3.87Å; V2102-L2107 HydrophobicContact CG1-CD1 4.4Å; V2102-L2107 HydrophobicContact CG1-CD2 3.72Å; V2102-L2107 HydrophobicContact CG1-CG 4.06Å; V2102-L2107 HydrophobicContact CG2-CD2 4.42Å
2103	S	40.6	Very low	38.3	Very low	50.8 Å²	50.8	98 Å²	98	36%	0.355	57%	0.571	S	S	.	*			trans	-67.1	149.2	177.3	142.7	0	0	0	0	111.1	S2101 L2105 D2106 L2107	S2101-S2103 PolarHBondContact O-N 3.27Å; S2103-L2105 PolarHBondContact O-N 3.2Å; S2103-L2105 VanDerWaalsContact O-N 3.15Å; S2103-L2105 WeakPolarHBondContact OG-CB 3.31Å; S2103-L2105 PolarHBondContact OG-N 3.04Å; S2103-L2105 VanDerWaalsContact OG-N 3.15Å; S2103-D2106 VanDerWaalsContact CB-OD2 3.26Å; S2103-D2106 WeakPolarHBondContact CB-OD2 3.32Å; S2103-D2106 PolarHBondContact N-OD2 2.97Å; S2103-D2106 WeakPolarHBondContact O-CB 3.38Å; S2103-D2106 PolarHBondContact O-N 3.13Å; S2103-D2106 VanDerWaalsContact O-N 3.13Å; S2103-D2106 VanDerWaalsContact OG-CG 3.32Å; S2103-D2106 PolarHBondContact OG-N 3.33Å; S2103-D2106 VanDerWaalsContact OG-N 3.13Å; S2103-D2106 PolarHBondContact OG-OD2 2.92Å; S2103-L2107 WeakPolarHBondContact O-CD1 3.44Å; S2103-L2107 VanDerWaalsContact O-CG 3.25Å; S2103-L2107 WeakPolarHBondContact O-CG 3.44Å; S2103-L2107 PolarHBondContact O-N 3.14Å; S2103-L2107 VanDerWaalsContact O-N 3.11Å
2104	S	42.1	Very low	38.9	Very low	74.6 Å²	74.6	95 Å²	95	52%	0.522	56%	0.555	S	S	.	*	H	α-helix	trans	-63.8	-26.2	171	50.6	0	0	0	0	112.4	S2101 V2102 D2106 L2107 I2108	S2101-S2104 PolarHBondContact O-N 3.43Å; S2101-S2104 PolarHBondContact O-OG 2.79Å; V2102-S2104 PolarHBondContact O-N 2.92Å; V2102-S2104 VanDerWaalsContact O-N 3.15Å; S2104-D2106 VanDerWaalsContact C-N 3.34Å; S2104-L2107 PolarHBondContact O-N 3.02Å; S2104-I2108 VanDerWaalsContact O-CB 3.23Å; S2104-I2108 WeakPolarHBondContact O-CB 3.37Å; S2104-I2108 WeakPolarHBondContact O-CD1 3.29Å; S2104-I2108 VanDerWaalsContact O-CG1 3.25Å; S2104-I2108 WeakPolarHBondContact O-CG1 3.35Å; S2104-I2108 PolarHBondContact O-N 3.04Å; S2104-I2108 VanDerWaalsContact O-N 3.14Å
2105	L	43.4	Very low	39.6	Very low	86 Å²	86	94 Å²	94	45%	0.45	55%	0.553	S	S	.	*	H	α-helix	trans	-67.5	-41.8	174.7	-163.8	70	0	0	0	111.6	F1958 S2101 V2102 S2103 L2107 I2108 Q2109	F1958-L2105 HydrophobicContact CD1-CD1 4.21Å; F1958-L2105 HydrophobicContact CE1-CD1 4.42Å; S2101-L2105 PolarHBondContact O-N 3.29Å; V2102-L2105 WeakPolarHBondContact O-CB 3.41Å; V2102-L2105 PolarHBondContact O-N 2.74Å; S2103-L2105 PolarHBondContact O-N 3.2Å; S2103-L2105 VanDerWaalsContact O-N 3.15Å; S2103-L2105 WeakPolarHBondContact OG-CB 3.31Å; S2103-L2105 PolarHBondContact OG-N 3.04Å; S2103-L2105 VanDerWaalsContact OG-N 3.15Å; L2105-L2107 VanDerWaalsContact C-N 3.32Å; L2105-L2107 PolarHBondContact O-N 3.03Å; L2105-I2108 CarbonylContact O-C 3.42Å; L2105-I2108 PolarHBondContact O-N 3.04Å; L2105-Q2109 VanDerWaalsContact O-CB 3.31Å; L2105-Q2109 WeakPolarHBondContact O-CB 3.31Å; L2105-Q2109 WeakPolarHBondContact O-CG 3.47Å; L2105-Q2109 PolarHBondContact O-N 3.19Å
2106	D	46.4	Very low	40	Very low	62.8 Å²	62.8	92.3 Å²	92.3	34%	0.336	54%	0.544	S	S	.	.	H	α-helix	trans	-65.2	-40.8	175.5	-64.7	-40.9	0	0	0	111.3	V2102 S2103 S2104 I2108 Q2109 D2110 K2320	V2102-D2106 HydrophobicContact CG1-CB 3.93Å; V2102-D2106 PolarHBondContact O-N 3.05Å; V2102-D2106 VanDerWaalsContact O-N 3.08Å; S2103-D2106 VanDerWaalsContact CB-OD2 3.26Å; S2103-D2106 WeakPolarHBondContact CB-OD2 3.32Å; S2103-D2106 PolarHBondContact N-OD2 2.97Å; S2103-D2106 WeakPolarHBondContact O-CB 3.38Å; S2103-D2106 PolarHBondContact O-N 3.13Å; S2103-D2106 VanDerWaalsContact O-N 3.13Å; S2103-D2106 VanDerWaalsContact OG-CG 3.32Å; S2103-D2106 PolarHBondContact OG-N 3.33Å; S2103-D2106 VanDerWaalsContact OG-N 3.13Å; S2103-D2106 PolarHBondContact OG-OD2 2.92Å; S2104-D2106 VanDerWaalsContact C-N 3.34Å; D2106-I2108 VanDerWaalsContact C-N 3.29Å; D2106-I2108 PolarHBondContact O-N 3.14Å; D2106-Q2109 CarbonylContact O-C 3.32Å; D2106-Q2109 PolarHBondContact O-N 3.21Å; D2106-Q2109 VanDerWaalsContact O-N 3.13Å; D2106-D2110 VanDerWaalsContact O-CB 3.24Å; D2106-D2110 WeakPolarHBondContact O-CB 3.34Å; D2106-D2110 VanDerWaalsContact O-CG 3.31Å; D2106-D2110 PolarHBondContact O-N 3.05Å; D2106-K2320 VanDerWaalsContact CG-CE 3.5Å; D2106-K2320 WeakPolarHBondContact OD2-CE 3.33Å
2107	L	49.1	Very low	40.3	Very low	76 Å²	76	87.7 Å²	87.7	40%	0.398	53%	0.53	S	S	.	.	H	α-helix	trans	-63.9	-38.4	175.6	-70.5	173.3	0	0	0	112.3	V2102 S2103 S2104 L2105 A2111 I2321 W2598	V2102-L2107 HydrophobicContact CB-CD1 4.33Å; V2102-L2107 HydrophobicContact CB-CD2 3.95Å; V2102-L2107 HydrophobicContact CB-CG 3.87Å; V2102-L2107 HydrophobicContact CG1-CD1 4.4Å; V2102-L2107 HydrophobicContact CG1-CD2 3.72Å; V2102-L2107 HydrophobicContact CG1-CG 4.06Å; V2102-L2107 HydrophobicContact CG2-CD2 4.42Å; S2103-L2107 WeakPolarHBondContact O-CD1 3.44Å; S2103-L2107 VanDerWaalsContact O-CG 3.25Å; S2103-L2107 WeakPolarHBondContact O-CG 3.44Å; S2103-L2107 PolarHBondContact O-N 3.14Å; S2103-L2107 VanDerWaalsContact O-N 3.11Å; S2104-L2107 PolarHBondContact O-N 3.02Å; L2105-L2107 VanDerWaalsContact C-N 3.32Å; L2105-L2107 PolarHBondContact O-N 3.03Å; L2107-A2111 VanDerWaalsContact O-CB 3.27Å; L2107-A2111 WeakPolarHBondContact O-CB 3.36Å; L2107-A2111 PolarHBondContact O-N 2.9Å; L2107-A2111 VanDerWaalsContact O-N 3.12Å; L2107-I2321 HydrophobicContact CD2-CG2 3.21Å; L2107-W2598 HydrophobicContact CD1-CH2 4.42Å
2108	I	50.2	Low	40.6	Very low	76.6 Å²	76.6	86.5 Å²	86.5	39%	0.393	52%	0.518	S	S	.	.	H	α-helix	trans	-72.7	-36.6	176.2	-70.3	167.3	0	0	0	110.8	S2104 L2105 D2106 A2111 I2112 K2682	S2104-I2108 VanDerWaalsContact O-CB 3.23Å; S2104-I2108 WeakPolarHBondContact O-CB 3.37Å; S2104-I2108 WeakPolarHBondContact O-CD1 3.29Å; S2104-I2108 VanDerWaalsContact O-CG1 3.25Å; S2104-I2108 WeakPolarHBondContact O-CG1 3.35Å; S2104-I2108 PolarHBondContact O-N 3.04Å; S2104-I2108 VanDerWaalsContact O-N 3.14Å; L2105-I2108 CarbonylContact O-C 3.42Å; L2105-I2108 PolarHBondContact O-N 3.04Å; D2106-I2108 VanDerWaalsContact C-N 3.29Å; D2106-I2108 PolarHBondContact O-N 3.14Å; I2108-A2111 PolarHBondContact O-N 2.76Å; I2108-I2112 HydrophobicContact CG2-CD1 3.82Å; I2108-I2112 HydrophobicContact CG2-CG1 4.37Å; I2108-I2112 VanDerWaalsContact O-CB 3.29Å; I2108-I2112 WeakPolarHBondContact O-CB 3.31Å; I2108-I2112 VanDerWaalsContact O-CD1 3.31Å; I2108-I2112 WeakPolarHBondContact O-CD1 3.39Å; I2108-I2112 VanDerWaalsContact O-CG1 3.24Å; I2108-I2112 WeakPolarHBondContact O-CG1 3.33Å; I2108-I2112 PolarHBondContact O-N 2.97Å; I2108-K2682 PolarHBondContact O-NZ 2.85Å
2109	Q	49.9	Very low	40.9	Very low	88 Å²	88	84.6 Å²	84.6	41%	0.411	51%	0.512	S	S	.	.	H	α-helix	trans	-73.2	-37.9	178	-135.3	135.2	-30.1	0	0	112.5	L2105 D2106 I2112 S2113 I2321	L2105-Q2109 VanDerWaalsContact O-CB 3.31Å; L2105-Q2109 WeakPolarHBondContact O-CB 3.31Å; L2105-Q2109 WeakPolarHBondContact O-CG 3.47Å; L2105-Q2109 PolarHBondContact O-N 3.19Å; D2106-Q2109 CarbonylContact O-C 3.32Å; D2106-Q2109 PolarHBondContact O-N 3.21Å; D2106-Q2109 VanDerWaalsContact O-N 3.13Å; Q2109-I2112 CarbonylContact O-C 3.55Å; Q2109-I2112 WeakPolarHBondContact O-CA 3.49Å; Q2109-I2112 WeakPolarHBondContact O-CB 3.44Å; Q2109-I2112 PolarHBondContact O-N 3.06Å; Q2109-S2113 WeakPolarHBondContact O-CB 3.32Å; Q2109-S2113 PolarHBondContact O-N 3.05Å; Q2109-S2113 PolarHBondContact O-OG 2.88Å; Q2109-I2321 HydrophobicContact CB-CD1 3.9Å; Q2109-I2321 HydrophobicContact CG-CD1 3.7Å
2110	D	47.6	Very low	40.9	Very low	64.4 Å²	64.4	83.6 Å²	83.6	34%	0.344	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-45.6	170.6	-81.8	-19	0	0	0	110.6	D2106 I2112 S2113 D2114 K2320 I2321 R2545	D2106-D2110 VanDerWaalsContact O-CB 3.24Å; D2106-D2110 WeakPolarHBondContact O-CB 3.34Å; D2106-D2110 VanDerWaalsContact O-CG 3.31Å; D2106-D2110 PolarHBondContact O-N 3.05Å; D2110-I2112 VanDerWaalsContact C-N 3.32Å; D2110-I2112 PolarHBondContact O-N 3.1Å; D2110-S2113 WeakPolarHBondContact CA-OG 3.24Å; D2110-S2113 CarbonylContact O-C 3.5Å; D2110-S2113 WeakPolarHBondContact O-CA 3.41Å; D2110-S2113 WeakPolarHBondContact O-CB 3.31Å; D2110-S2113 PolarHBondContact O-N 2.92Å; D2110-S2113 VanDerWaalsContact O-N 3.12Å; D2110-S2113 PolarHBondContact O-OG 3.15Å; D2110-S2113 PolarHBondContact OD1-OG 2.83Å; D2110-D2114 VanDerWaalsContact O-CB 3.3Å; D2110-D2114 WeakPolarHBondContact O-CB 3.17Å; D2110-D2114 PolarHBondContact O-N 3.19Å; D2110-K2320 IonicContact OD2-NZ 3.88Å; D2110-K2320 PolarHBondContact OD2-NZ 3.42Å; D2110-I2321 HydrophobicContact CB-CD1 4.03Å; D2110-I2321 WeakPolarHBondContact OD2-CD1 3.2Å; D2110-R2545 IonicContact OD1-NH2 3.54Å; D2110-R2545 PolarHBondContact OD1-NH2 3.42Å
2111	A	46.4	Very low	41	Very low	48.6 Å²	48.6	84.4 Å²	84.4	40%	0.402	50%	0.499	S	S	.	.	H	α-helix	trans	-63.7	-29.2	176.4	0	0	0	0	0	113.7	L2107 I2108 S2113 D2114 V2115	L2107-A2111 VanDerWaalsContact O-CB 3.27Å; L2107-A2111 WeakPolarHBondContact O-CB 3.36Å; L2107-A2111 PolarHBondContact O-N 2.9Å; L2107-A2111 VanDerWaalsContact O-N 3.12Å; I2108-A2111 PolarHBondContact O-N 2.76Å; A2111-S2113 VanDerWaalsContact C-N 3.3Å; A2111-S2113 PolarHBondContact O-N 2.91Å; A2111-D2114 PolarHBondContact O-N 2.96Å; A2111-V2115 WeakPolarHBondContact O-CB 3.2Å; A2111-V2115 VanDerWaalsContact O-CG2 3.28Å; A2111-V2115 WeakPolarHBondContact O-CG2 3.28Å; A2111-V2115 PolarHBondContact O-N 3.16Å; A2111-V2115 VanDerWaalsContact O-N 3.09Å
2112	I	47.2	Very low	40.9	Very low	87.8 Å²	87.8	85.2 Å²	85.2	45%	0.45	50%	0.502	S	S	.	.	H	α-helix	trans	-76.7	-34.8	171.9	-71.1	167.9	0	0	0	110.8	I2108 Q2109 D2110 D2114 V2115 D2116	I2108-I2112 HydrophobicContact CG2-CD1 3.82Å; I2108-I2112 HydrophobicContact CG2-CG1 4.37Å; I2108-I2112 VanDerWaalsContact O-CB 3.29Å; I2108-I2112 WeakPolarHBondContact O-CB 3.31Å; I2108-I2112 VanDerWaalsContact O-CD1 3.31Å; I2108-I2112 WeakPolarHBondContact O-CD1 3.39Å; I2108-I2112 VanDerWaalsContact O-CG1 3.24Å; I2108-I2112 WeakPolarHBondContact O-CG1 3.33Å; I2108-I2112 PolarHBondContact O-N 2.97Å; Q2109-I2112 CarbonylContact O-C 3.55Å; Q2109-I2112 WeakPolarHBondContact O-CA 3.49Å; Q2109-I2112 WeakPolarHBondContact O-CB 3.44Å; Q2109-I2112 PolarHBondContact O-N 3.06Å; D2110-I2112 VanDerWaalsContact C-N 3.32Å; D2110-I2112 PolarHBondContact O-N 3.1Å; I2112-D2114 VanDerWaalsContact C-N 3.32Å; I2112-D2114 PolarHBondContact O-N 3.35Å; I2112-V2115 CarbonylContact O-C 3.56Å; I2112-V2115 VanDerWaalsContact O-CA 3.27Å; I2112-V2115 WeakPolarHBondContact O-CA 3.3Å; I2112-V2115 WeakPolarHBondContact O-CB 3.39Å; I2112-V2115 PolarHBondContact O-N 2.98Å; I2112-D2116 WeakPolarHBondContact CG2-OD2 3.35Å; I2112-D2116 PolarHBondContact O-N 2.83Å
2113	S	45.5	Very low	40.7	Very low	45.6 Å²	45.6	88.9 Å²	88.9	32%	0.319	51%	0.51	S	S	.	.	H	α-helix	trans	-70.1	-28.6	176.8	74.9	0	0	0	0	113.6	Q2109 D2110 A2111 V2115 D2116 S2117 R2313	Q2109-S2113 WeakPolarHBondContact O-CB 3.32Å; Q2109-S2113 PolarHBondContact O-N 3.05Å; Q2109-S2113 PolarHBondContact O-OG 2.88Å; D2110-S2113 WeakPolarHBondContact CA-OG 3.24Å; D2110-S2113 CarbonylContact O-C 3.5Å; D2110-S2113 WeakPolarHBondContact O-CA 3.41Å; D2110-S2113 WeakPolarHBondContact O-CB 3.31Å; D2110-S2113 PolarHBondContact O-N 2.92Å; D2110-S2113 VanDerWaalsContact O-N 3.12Å; D2110-S2113 PolarHBondContact O-OG 3.15Å; D2110-S2113 PolarHBondContact OD1-OG 2.83Å; A2111-S2113 VanDerWaalsContact C-N 3.3Å; A2111-S2113 PolarHBondContact O-N 2.91Å; S2113-V2115 PolarHBondContact O-N 3.17Å; S2113-D2116 PolarHBondContact O-N 3.13Å; S2113-S2117 WeakPolarHBondContact O-CA 3.35Å; S2113-S2117 WeakPolarHBondContact O-CB 3.45Å; S2113-S2117 PolarHBondContact O-N 3.33Å; S2113-S2117 PolarHBondContact O-OG 2.97Å; S2113-R2313 PolarHBondContact O-NH2 2.88Å
2114	D	41.5	Very low	40.2	Very low	85.6 Å²	85.6	95.8 Å²	95.8	46%	0.458	53%	0.534	S	S	.	.	H	α-helix	trans	-76.7	-18.4	177	-96.7	-2.4	0	0	0	113.4	D2110 A2111 I2112 D2116 S2117 F2303 R2313 V2319 H2549 R2592	D2110-D2114 VanDerWaalsContact O-CB 3.3Å; D2110-D2114 WeakPolarHBondContact O-CB 3.17Å; D2110-D2114 PolarHBondContact O-N 3.19Å; A2111-D2114 PolarHBondContact O-N 2.96Å; I2112-D2114 VanDerWaalsContact C-N 3.32Å; I2112-D2114 PolarHBondContact O-N 3.35Å; D2114-D2116 VanDerWaalsContact C-N 3.34Å; D2114-D2116 PolarHBondContact O-N 2.87Å; D2114-S2117 WeakPolarHBondContact O-CB 3.33Å; D2114-S2117 PolarHBondContact O-N 3.04Å; D2114-S2117 VanDerWaalsContact O-N 3.08Å; D2114-S2117 PolarHBondContact O-OG 3.22Å; D2114-F2303 WeakPolarHBondContact OD1-CZ 2.85Å; D2114-R2313 IonicContact OD1-CZ 3.7Å; D2114-R2313 IonicContact OD1-NH1 3.07Å; D2114-R2313 IonicContact OD1-NH2 2.65Å; D2114-R2313 PolarHBondContact OD1-NH2 2.61Å; D2114-V2319 VanDerWaalsContact CG-CG2 3.44Å; D2114-V2319 WeakPolarHBondContact OD1-CG2 3.32Å; D2114-V2319 VanDerWaalsContact OD2-CG2 3.23Å; D2114-V2319 WeakPolarHBondContact OD2-CG2 3.42Å; D2114-H2549 IonicContact OD1-CE1 3.24Å; D2114-H2549 IonicContact OD2-CE1 3.36Å; D2114-H2549 IonicContact OD2-NE2 3.93Å; D2114-R2592 VanDerWaalsContact CB-NH1 3.35Å; D2114-R2592 WeakPolarHBondContact OD2-CD 3.49Å; D2114-R2592 IonicContact OD2-CZ 2.84Å; D2114-R2592 IonicContact OD2-NE 2.65Å; D2114-R2592 IonicContact OD2-NH1 4Å; D2114-R2592 PolarHBondContact OD2-NH1 3.29Å
2115	V	41.7	Very low	39.8	Very low	101 Å²	101	99.5 Å²	99.5	61%	0.612	55%	0.546	S	S	*	.	H	α-helix	trans	-88	-16.7	-179.9	169.8	0	0	0	0	112.6	A2111 I2112 S2113 S2117 R2592	A2111-V2115 WeakPolarHBondContact O-CB 3.2Å; A2111-V2115 VanDerWaalsContact O-CG2 3.28Å; A2111-V2115 WeakPolarHBondContact O-CG2 3.28Å; A2111-V2115 PolarHBondContact O-N 3.16Å; A2111-V2115 VanDerWaalsContact O-N 3.09Å; I2112-V2115 CarbonylContact O-C 3.56Å; I2112-V2115 VanDerWaalsContact O-CA 3.27Å; I2112-V2115 WeakPolarHBondContact O-CA 3.3Å; I2112-V2115 WeakPolarHBondContact O-CB 3.39Å; I2112-V2115 PolarHBondContact O-N 2.98Å; S2113-V2115 PolarHBondContact O-N 3.17Å; V2115-S2117 PolarHBondContact O-N 3.07Å; V2115-R2592 PolarHBondContact O-NH1 3.48Å
2116	D	38.1	Very low	39.2	Very low	106.8 Å²	106.8	98.5 Å²	98.5	57%	0.571	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	7.5	176.5	-91.1	-24.5	0	0	0	114.1	I2112 S2113 D2114 V2118 H2119 N2309 R2310 R2313	I2112-D2116 WeakPolarHBondContact CG2-OD2 3.35Å; I2112-D2116 PolarHBondContact O-N 2.83Å; S2113-D2116 PolarHBondContact O-N 3.13Å; D2114-D2116 VanDerWaalsContact C-N 3.34Å; D2114-D2116 PolarHBondContact O-N 2.87Å; D2116-V2118 PolarHBondContact O-N 2.91Å; D2116-H2119 PolarHBondContact O-CD2 2.91Å; D2116-H2119 PolarHBondContact O-N 3.05Å; D2116-N2309 PolarHBondContact O-ND2 2.84Å; D2116-R2310 PolarHBondContact O-NE 3.36Å; D2116-R2310 PolarHBondContact O-NH2 2.99Å; D2116-R2313 IonicContact OD2-CZ 3.59Å; D2116-R2313 IonicContact OD2-NH1 3.2Å; D2116-R2313 PolarHBondContact OD2-NH1 2.78Å; D2116-R2313 IonicContact OD2-NH2 3.89Å; D2116-R2313 PolarHBondContact OD2-NH2 2.94Å
2117	S	35.6	Very low	38.4	Very low	68.6 Å²	68.6	103 Å²	103	48%	0.48	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.5	72.3	178.9	67.6	0	0	0	0	114.2	S2113 D2114 V2115 H2119	S2113-S2117 WeakPolarHBondContact O-CA 3.35Å; S2113-S2117 WeakPolarHBondContact O-CB 3.45Å; S2113-S2117 PolarHBondContact O-N 3.33Å; S2113-S2117 PolarHBondContact O-OG 2.97Å; D2114-S2117 WeakPolarHBondContact O-CB 3.33Å; D2114-S2117 PolarHBondContact O-N 3.04Å; D2114-S2117 VanDerWaalsContact O-N 3.08Å; D2114-S2117 PolarHBondContact O-OG 3.22Å; V2115-S2117 PolarHBondContact O-N 3.07Å; S2117-H2119 VanDerWaalsContact C-N 3.28Å; S2117-H2119 PolarHBondContact O-N 2.81Å
2118	V	33.4	Very low	37.6	Very low	105.8 Å²	105.8	106.3 Å²	106.3	64%	0.641	60%	0.598	S	S	*	*			trans	-78.3	87.9	177	-174.2	0	0	0	0	112.2	D2116 S2120 Y2306	D2116-V2118 PolarHBondContact O-N 2.91Å; V2118-S2120 PolarHBondContact O-N 3.15Å; V2118-Y2306 PolarHBondContact O-OH 3.37Å
2119	H	31.5	Very low	36.7	Very low	157.2 Å²	157.2	110.8 Å²	110.8	73%	0.728	62%	0.615	S	S	*	*			trans	-111.6	133.4	153.2	-87.5	-54.6	0	0	0	111.5	D2116 S2117	D2116-H2119 PolarHBondContact O-CD2 2.91Å; D2116-H2119 PolarHBondContact O-N 3.05Å; S2117-H2119 VanDerWaalsContact C-N 3.28Å; S2117-H2119 PolarHBondContact O-N 2.81Å
2120	S	30.5	Very low	35.6	Very low	98.6 Å²	98.6	117 Å²	117	69%	0.69	63%	0.634	S	S	*	*			trans	-123.5	135.9	177.8	24.9	0	0	0	0	115.9	V2118 F2243	V2118-S2120 PolarHBondContact O-N 3.15Å; S2120-F2243 VanDerWaalsContact CA-O 3.28Å; S2120-F2243 WeakPolarHBondContact CA-O 3.41Å; S2120-F2243 WeakPolarHBondContact CB-O 3.21Å
2121	S	30.5	Very low	34.8	Very low	91.6 Å²	91.6	119 Å²	119	64%	0.641	65%	0.653	S	S	*	*			trans	-89.5	153.1	165.5	66.1	0	0	0	0	113	F2123	S2121-F2123 PolarHBondContact O-N 2.92Å; S2121-F2123 VanDerWaalsContact O-N 3.11Å
2122	P	33.4	Very low	34.1	Very low	117.6 Å²	117.6	121.5 Å²	121.5	76%	0.764	67%	0.668	S	S	*	*				-119	149.9	112.1	32.2	-20.5	0	0	0	115.4	K2124	P2122-K2124 PolarHBondContact O-N 3.48Å; P2122-K2124 VanDerWaalsContact O-N 3.16Å
2123	F	30.6	Very low	33.3	Very low	172 Å²	172	121.5 Å²	121.5	75%	0.754	68%	0.68	S	S	*	*			trans	-70.8	129.4	175.5	-92.9	-85.7	0	0	0	117.2	S2121 I2125 I2244 I2246	S2121-F2123 PolarHBondContact O-N 2.92Å; S2121-F2123 VanDerWaalsContact O-N 3.11Å; F2123-I2125 HydrophobicContact CB-CD1 4.36Å; F2123-I2125 HydrophobicContact CD1-CD1 4.2Å; F2123-I2125 HydrophobicContact CD1-CG1 3.91Å; F2123-I2125 HydrophobicContact CE1-CD1 4.21Å; F2123-I2125 HydrophobicContact CE1-CG1 4.05Å; F2123-I2125 HydrophobicContact CG-CD1 4.16Å; F2123-I2125 HydrophobicContact CG-CG1 4.46Å; F2123-I2244 HydrophobicContact CD2-CB 4.2Å; F2123-I2244 HydrophobicContact CD2-CD1 3.85Å; F2123-I2244 HydrophobicContact CD2-CG2 4.05Å; F2123-I2244 HydrophobicContact CE2-CB 4.14Å; F2123-I2244 HydrophobicContact CE2-CD1 3.98Å; F2123-I2244 HydrophobicContact CE2-CG1 4.48Å; F2123-I2244 HydrophobicContact CE2-CG2 4.48Å; F2123-I2246 HydrophobicContact CD2-CD1 3.8Å
2124	K	29.5	Very low	32.7	Very low	196.8 Å²	196.8	124.5 Å²	124.5	86%	0.856	70%	0.697	S	S	*	*			trans	-149.8	99.2	145.8	-140.7	175.1	-176	178.4	0	112.2	P2122 G2126	P2122-K2124 PolarHBondContact O-N 3.48Å; P2122-K2124 VanDerWaalsContact O-N 3.16Å; K2124-G2126 PolarHBondContact O-N 3.11Å
2125	I	33.4	Very low	32.3	Very low	151.4 Å²	151.4	126.5 Å²	126.5	78%	0.776	71%	0.707	S	S	*	*				177.8	134.2	129.1	-70.4	163.2	0	0	0	109.7	F2123	F2123-I2125 HydrophobicContact CB-CD1 4.36Å; F2123-I2125 HydrophobicContact CD1-CD1 4.2Å; F2123-I2125 HydrophobicContact CD1-CG1 3.91Å; F2123-I2125 HydrophobicContact CE1-CD1 4.21Å; F2123-I2125 HydrophobicContact CE1-CG1 4.05Å; F2123-I2125 HydrophobicContact CG-CD1 4.16Å; F2123-I2125 HydrophobicContact CG-CG1 4.46Å
2126	G	30.2	Very low	31.8	Very low	65.4 Å²	65.4	128.6 Å²	128.6	67%	0.674	71%	0.714	S	S	*	*			trans	176.8	116.6	-176.6	0	0	0	0	0	114.2	K2124 I2128	K2124-G2126 PolarHBondContact O-N 3.11Å; G2126-I2128 PolarHBondContact O-N 3.28Å
2127	N	31	Very low	31.6	Very low	158.2 Å²	158.2	128.9 Å²	128.9	85%	0.846	72%	0.721	S	S	*	*			trans	-106.2	140.2	142.6	-80	-21.7	0	0	0	115.9
2128	I	31.2	Very low	31.4	Very low	144.6 Å²	144.6	130.3 Å²	130.3	74%	0.742	73%	0.731	S	S	*	*			trans	-134.6	135.8	171.6	-81.8	169.8	0	0	0	113.3	G2126	G2126-I2128 PolarHBondContact O-N 3.28Å
2129	K	31.3	Very low	31.4	Very low	172.2 Å²	172.2	131.8 Å²	131.8	75%	0.749	74%	0.736	S	S	*	*			trans	173.7	148.6	156.5	-82	171.3	-170.9	176.2	0	116.1	E2257	K2129-E2257 WeakPolarHBondContact CB-OE1 3.01Å; K2129-E2257 WeakPolarHBondContact CD-OE1 3.44Å
2130	R	28.2	Very low	31.5	Very low	218.2 Å²	218.2	130.6 Å²	130.6	82%	0.823	73%	0.733	S	S	*	*			trans	-126	149.9	-160.9	-87.4	177.5	177.3	168.6	-2.8	110.6	E2257	R2130-E2257 WeakPolarHBondContact CD-OE2 3.07Å; R2130-E2257 IonicContact CZ-OE2 2.66Å; R2130-E2257 IonicContact NE-OE2 3.08Å; R2130-E2257 IonicContact NH1-OE2 2.87Å; R2130-E2257 PolarHBondContact NH1-OE2 3.06Å
2131	S	29.6	Very low	31.6	Very low	105.2 Å²	105.2	130.3 Å²	130.3	74%	0.736	73%	0.731	S	S	*	*			trans	87.4	146.5	149.9	47.6	0	0	0	0	115.5	E2257	S2131-E2257 WeakPolarHBondContact OG-CG 3.49Å
2132	S	31.1	Very low	31.8	Very low	102.2 Å²	102.2	133.9 Å²	133.9	72%	0.715	74%	0.738	S	S	*	*			cis	-173.1	139.4	14.4	38.8	0	0	0	0	112.6
2133	A	31.1	Very low	31.8	Very low	86.6 Å²	86.6	134.3 Å²	134.3	72%	0.716	74%	0.738	S	S	*	*				172.7	157.2	107.1	0	0	0	0	0	112.9
2134	V	33.9	Very low	32	Very low	109.8 Å²	109.8	131.1 Å²	131.1	67%	0.665	74%	0.737	S	S	*	*				113.9	146.9	98.7	-170.9	0	0	0	0	115.3	R2260 L2262	V2134-R2260 VanDerWaalsContact CG1-O 3.3Å; V2134-R2260 WeakPolarHBondContact CG1-O 3.24Å; V2134-R2260 HydrophobicContact CG2-CB 3.91Å; V2134-R2260 WeakPolarHBondContact CG2-O 3.49Å; V2134-L2262 HydrophobicContact CB-CB 4.01Å; V2134-L2262 HydrophobicContact CB-CD1 4.2Å; V2134-L2262 HydrophobicContact CB-CG 4.21Å; V2134-L2262 HydrophobicContact CG2-CB 3.95Å; V2134-L2262 HydrophobicContact CG2-CD1 3.84Å; V2134-L2262 HydrophobicContact CG2-CG 3.67Å; V2134-L2262 WeakPolarHBondContact O-CD1 3.06Å
2135	D	32.4	Very low	32.3	Very low	126.2 Å²	126.2	126.4 Å²	126.4	68%	0.675	73%	0.729	S	S	*	*			trans	74	135.4	173.1	-66	-39.8	0	0	0	118.7	P2137 C2261 L2262 L2263	D2135-P2137 WeakPolarHBondContact O-CD 3.28Å; D2135-C2261 PolarHBondContact OD2-SG 2.98Å; D2135-L2262 HydrophobicContact CB-CB 3.89Å; D2135-L2262 PolarHBondContact OD2-N 3.45Å; D2135-L2263 HydrophobicContact CB-CB 4.46Å; D2135-L2263 HydrophobicContact CB-CD1 4.32Å; D2135-L2263 HydrophobicContact CB-CG 3.95Å; D2135-L2263 PolarHBondContact OD2-N 2.96Å
2136	I	32	Very low	32.4	Very low	146.4 Å²	146.4	127.8 Å²	127.8	75%	0.751	73%	0.73	S	S	*	*			trans	-37	134.2	137.2	-62.2	166.3	0	0	0	112.1	S2138 L2263	I2136-S2138 VanDerWaalsContact CG2-N 3.34Å; I2136-L2263 HydrophobicContact CB-CD1 4Å; I2136-L2263 HydrophobicContact CB-CG 4.31Å; I2136-L2263 HydrophobicContact CD1-CD1 3.95Å; I2136-L2263 HydrophobicContact CG2-CD1 3.89Å; I2136-L2263 HydrophobicContact CG2-CD2 4.21Å; I2136-L2263 HydrophobicContact CG2-CG 4.3Å
2137	P	34	Very low	32.6	Very low	112.6 Å²	112.6	131 Å²	131	73%	0.731	73%	0.732	S	S	*	*				-134.8	159.6	118.6	37	-23.6	0	0	0	116.3	D2135 N2139	D2135-P2137 WeakPolarHBondContact O-CD 3.28Å; P2137-N2139 PolarHBondContact O-N 2.89Å
2138	S	30.8	Very low	32.8	Very low	98.6 Å²	98.6	129.1 Å²	129.1	69%	0.69	72%	0.721	S	S	*	*			trans	-69.6	139.9	159.4	65	0	0	0	0	114.5	I2136	I2136-S2138 VanDerWaalsContact CG2-N 3.34Å
2139	N	32.8	Very low	32.9	Very low	136.2 Å²	136.2	130.1 Å²	130.1	73%	0.728	72%	0.723	S	S	*	*			trans	179.6	142.6	144.8	-83.7	-23.2	0	0	0	114.8	P2137	P2137-N2139 PolarHBondContact O-N 2.89Å
2140	I	33.4	Very low	33.1	Very low	131.8 Å²	131.8	126.5 Å²	126.5	68%	0.676	72%	0.719	S	S	*	*			trans	-177.7	142.4	153.1	-66.3	173.3	0	0	0	111.6	S2282 P2283 I2285	I2140-S2282 WeakPolarHBondContact CD1-OG 3.47Å; I2140-S2282 WeakPolarHBondContact CG2-O 3.38Å; I2140-P2283 VanDerWaalsContact CA-C 3.45Å; I2140-P2283 WeakPolarHBondContact CG2-O 3.46Å; I2140-I2285 VanDerWaalsContact O-CG1 3.26Å; I2140-I2285 WeakPolarHBondContact O-CG1 3.48Å
2141	S	33.5	Very low	33.2	Very low	92.8 Å²	92.8	123 Å²	123	65%	0.649	72%	0.716	S	S	*	*			trans	109.1	156.4	166.3	61.8	0	0	0	0	117.2	P2283 L2284	S2141-P2283 VanDerWaalsContact O-CD 3.24Å; S2141-P2283 WeakPolarHBondContact O-CD 3.33Å; S2141-L2284 VanDerWaalsContact CB-C 3.47Å; S2141-L2284 VanDerWaalsContact CB-O 3.27Å; S2141-L2284 WeakPolarHBondContact CB-O 2.97Å; S2141-L2284 PolarHBondContact OG-N 3.07Å; S2141-L2284 VanDerWaalsContact OG-N 3.09Å; S2141-L2284 PolarHBondContact OG-O 2.91Å
2142	Q	34.6	Very low	33.4	Very low	168 Å²	168	122.8 Å²	122.8	79%	0.785	71%	0.711	S	S	*	*			cis	157.4	153.2	-18.8	-103.2	173.3	14.8	0	0	114.4	P2283	Q2142-P2283 HydrophobicContact CB-CB 4.2Å; Q2142-P2283 HydrophobicContact CB-CG 3.8Å; Q2142-P2283 VanDerWaalsContact CD-CG 3.44Å; Q2142-P2283 HydrophobicContact CG-CB 3.8Å; Q2142-P2283 HydrophobicContact CG-CG 3.76Å
2143	T	33.6	Very low	33.5	Very low	125.2 Å²	125.2	128.7 Å²	128.7	77%	0.768	72%	0.717	S	S	*	*			trans	72.4	136.5	153.9	66.5	0	0	0	0	116.7
2144	S	33.9	Very low	33.6	Very low	104.2 Å²	104.2	132.8 Å²	132.8	73%	0.729	72%	0.719	S	S	*	*			cis	154.1	157.2	15.2	68.7	0	0	0	0	114
2145	S	36.3	Very low	33.5	Very low	99.4 Å²	99.4	133.8 Å²	133.8	70%	0.695	73%	0.725	S	S	*	*			cis	151.1	154.7	17.4	65.8	0	0	0	0	113.2
2146	K	35.5	Very low	33.4	Very low	180.8 Å²	180.8	134.4 Å²	134.4	79%	0.786	72%	0.724	S	S	*	*				112.7	137.6	106.1	-93.9	179.4	179.4	177.5	0	115.1
2147	N	34.9	Very low	33.5	Very low	132.4 Å²	132.4	136.7 Å²	136.7	71%	0.708	73%	0.728	S	S	*	*			trans	90.6	141.7	143.5	-68.3	11.7	0	0	0	116.9
2148	N	34.9	Very low	33.3	Very low	118.2 Å²	118.2	140.6 Å²	140.6	63%	0.632	73%	0.734	S	S	*	*			cis	157	142.1	14	-96.9	35.5	0	0	0	113.5
2149	E	33.9	Very low	33.2	Very low	164.8 Å²	164.8	142.8 Å²	142.8	77%	0.77	74%	0.737	S	S	*	*				70.5	142.6	110.5	-79.9	176.1	135.9	0	0	118.4
2150	S	33.5	Very low	33.1	Very low	97.2 Å²	97.2	142.1 Å²	142.1	68%	0.68	74%	0.738	S	S	*	*			cis	-151.5	171.7	14.4	58.8	0	0	0	0	113
2151	L	31.5	Very low	32.9	Very low	143.6 Å²	143.6	140.8 Å²	140.8	75%	0.752	74%	0.735	S	S	*	*			trans	-168.5	160.9	149.6	-118.4	68.1	0	0	0	116.7	Q2268	L2151-Q2268 VanDerWaalsContact C-OE1 3.26Å; L2151-Q2268 PolarHBondContact O-NE2 3.34Å
2152	T	34.5	Very low	32.7	Very low	101.2 Å²	101.2	143.4 Å²	143.4	62%	0.621	74%	0.742	S	S	*	*			trans	-174.8	145.1	167.9	46.3	0	0	0	0	115.3	K2267 Q2268	T2152-K2267 HydrophobicContact CG2-CD 4.41Å; T2152-Q2268 PolarHBondContact OG1-OE1 3.01Å
2153	R	33.1	Very low	32.4	Very low	226.4 Å²	226.4	141 Å²	141	85%	0.854	74%	0.739	S	S	*	*			trans	151.9	151.4	133.2	-85.9	157.6	-168.5	-176.6	1.9	115.2
2154	K	31.3	Very low	32.1	Very low	173.2 Å²	173.2	140.4 Å²	140.4	75%	0.753	74%	0.739	S	S	*	*			trans	137.8	138.3	133.7	-120.9	-173.5	171	-163.9	0	115.2	E2156	K2154-E2156 WeakPolarHBondContact CD-OE1 3.48Å; K2154-E2156 VanDerWaalsContact CE-CD 3.41Å; K2154-E2156 VanDerWaalsContact CE-CG 3.5Å; K2154-E2156 VanDerWaalsContact CE-OE1 3.23Å; K2154-E2156 WeakPolarHBondContact CE-OE1 3.38Å; K2154-E2156 WeakPolarHBondContact CE-OE2 3.46Å; K2154-E2156 WeakPolarHBondContact CG-OE1 3.39Å; K2154-E2156 VanDerWaalsContact NZ-CD 3.29Å; K2154-E2156 IonicContact NZ-OE1 3.51Å; K2154-E2156 PolarHBondContact NZ-OE1 2.83Å; K2154-E2156 IonicContact NZ-OE2 3.31Å; K2154-E2156 PolarHBondContact NZ-OE2 2.93Å
2155	V	33.8	Very low	32	Very low	130.6 Å²	130.6	141.1 Å²	141.1	79%	0.792	74%	0.741	S	S	*	*				-160.5	148.2	124.8	156	0	0	0	0	112.5
2156	E	30.1	Very low	31.6	Very low	138.8 Å²	138.8	142.3 Å²	142.3	65%	0.649	74%	0.744	S	S	*	*			trans	-170.5	130.8	-172.6	-124.7	176.3	132.5	0	0	115.5	K2154	K2154-E2156 WeakPolarHBondContact CD-OE1 3.48Å; K2154-E2156 VanDerWaalsContact CE-CD 3.41Å; K2154-E2156 VanDerWaalsContact CE-CG 3.5Å; K2154-E2156 VanDerWaalsContact CE-OE1 3.23Å; K2154-E2156 WeakPolarHBondContact CE-OE1 3.38Å; K2154-E2156 WeakPolarHBondContact CE-OE2 3.46Å; K2154-E2156 WeakPolarHBondContact CG-OE1 3.39Å; K2154-E2156 VanDerWaalsContact NZ-CD 3.29Å; K2154-E2156 IonicContact NZ-OE1 3.51Å; K2154-E2156 PolarHBondContact NZ-OE1 2.83Å; K2154-E2156 IonicContact NZ-OE2 3.31Å; K2154-E2156 PolarHBondContact NZ-OE2 2.93Å
2157	K	32.3	Very low	31.4	Very low	195.4 Å²	195.4	139.3 Å²	139.3	85%	0.85	74%	0.743	S	S	*	*			trans	165.1	136.8	153.7	-88.1	160	-176.1	170.8	0	114.8
2158	K	29.9	Very low	31.2	Very low	193 Å²	193	141.2 Å²	141.2	84%	0.839	75%	0.748	S	S	*	*				175.2	138.9	67.4	-158.8	-179.4	178	-179.8	0	111
2159	L	28.8	Very low	31.1	Very low	146.2 Å²	146.2	141.2 Å²	141.2	77%	0.765	75%	0.754	S	S	*	*			trans	60.7	136.9	152.6	-134.2	73.8	0	0	0	117.4
2160	T	30.6	Very low	30.8	Very low	120.2 Å²	120.2	139.6 Å²	139.6	74%	0.737	76%	0.76	S	S	*	*			trans	-107	150.5	132.9	42.5	0	0	0	0	117.2
2161	V	30.3	Very low	30.6	Very low	104.2 Å²	104.2	145.9 Å²	145.9	63%	0.632	77%	0.769	S	S	*	*			trans	-96.7	139.3	157.4	174.5	0	0	0	0	112	T2163	V2161-T2163 HydrophobicContact CG1-CG2 4.03Å
2162	N	29.1	Very low	30.4	Very low	147.6 Å²	147.6	144 Å²	144	79%	0.789	76%	0.763	S	S	*	*			trans	-134.9	137.3	150.4	-85.8	-20.3	0	0	0	113.8
2163	T	28.6	Very low	30.1	Very low	118 Å²	118	144.8 Å²	144.8	72%	0.724	77%	0.768	S	S	*	*			trans	-107	142.7	162.9	40	0	0	0	0	113.9	V2161	V2161-T2163 HydrophobicContact CG1-CG2 4.03Å
2164	C	26.8	Very low	29.9	Very low	113.4 Å²	113.4	141.7 Å²	141.7	77%	0.766	76%	0.763	S	S	*	*			trans	-91.8	163.7	175.1	-85.4	0	0	0	0	112.7	C1872	C1872-C2164 HydrophobicContact CB-CB 3.89Å; C1872-C2164 WeakPolarHBondContact CB-SG 3.42Å; C1872-C2164 WeakPolarHBondContact SG-CB 3.36Å; C1872-C2164 CovalentContact SG-SG 2.04Å; C1872-C2164 PolarHBondContact SG-SG 2.82Å
2165	P	31.4	Very low	29.9	Very low	118.4 Å²	118.4	138.5 Å²	138.5	77%	0.769	76%	0.762	S	S	*	*			trans	-108.9	160.8	174.3	29.6	-18.8	0	0	0	114.9
2166	T	29	Very low	29.7	Very low	125 Å²	125	137.7 Å²	137.7	77%	0.767	76%	0.762	S	S	*	*			trans	-63.2	153.4	166.8	49.5	0	0	0	0	112.8	Q2168	T2166-Q2168 PolarHBondContact O-N 3.15Å; T2166-Q2168 VanDerWaalsContact O-N 3.09Å
2167	P	31.9	Very low	29.6	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	77%	0.765	S	S	*	*			trans	-90.1	142.5	161.8	26.1	-19.7	0	0	0	112.7	L1869	L1869-P2167 HydrophobicContact CD2-CG 4.24Å
2168	Q	30.1	Very low	29.4	Very low	172.6 Å²	172.6	135.2 Å²	135.2	81%	0.807	76%	0.762	S	S	*	*			trans	-113	155	166	-92.3	-171.7	-1	0	0	109.7	T2166	T2166-Q2168 PolarHBondContact O-N 3.15Å; T2166-Q2168 VanDerWaalsContact O-N 3.09Å
2169	P	31.6	Very low	29.4	Very low	118 Å²	118	136.9 Å²	136.9	77%	0.766	76%	0.763	S	S	*	*			trans	-86.2	153.7	177.9	24.4	-19.9	0	0	0	111.7
2170	C	28.7	Very low	29.4	Very low	131.6 Å²	131.6	138.7 Å²	138.7	89%	0.889	77%	0.765	S	S	*	*			trans	-86.8	144.7	-174.4	-72.2	0	0	0	0	114.8
2171	R	27.9	Very low	29.4	Very low	230.4 Å²	230.4	137.1 Å²	137.1	87%	0.869	76%	0.758	S	S	*	*			trans	-100.3	139.4	170.6	-92.9	175.4	165.3	165.8	-4.9	112.7
2172	T	27.9	Very low	29.2	Very low	103 Å²	103	138.4 Å²	138.4	63%	0.632	76%	0.762	S	S	*	*			trans	-81.4	129.9	148.7	50.3	0	0	0	0	113.2	D1477 R1529	D1477-T2172 HydrophobicContact CB-CG2 4.37Å; D1477-T2172 PolarHBondContact OD2-OG1 2.78Å; R1529-T2172 PolarHBondContact NH2-OG1 3.09Å
2173	V	29.4	Very low	29.3	Very low	118.8 Å²	118.8	136.8 Å²	136.8	72%	0.72	76%	0.758	S	S	*	*				68.8	120.1	122	-159	0	0	0	0	112.7
2174	H	29	Very low	29.3	Very low	160.2 Å²	160.2	135.5 Å²	135.5	74%	0.742	75%	0.753	S	S	*	*				42.9	139.6	126.4	-78.2	-72.2	0	0	0	115.2	Q1528	Q1528-H2174 PolarHBondContact NE2-CD2 3.43Å; Q1528-H2174 VanDerWaalsContact NE2-CD2 3.3Å; Q1528-H2174 PolarHBondContact NE2-NE2 3.33Å
2175	S	29.6	Very low	29.6	Very low	106.6 Å²	106.6	136.4 Å²	136.4	75%	0.745	75%	0.749	S	S	*	*				-160	163.2	93.6	59.1	0	0	0	0	113.2
2176	S	29.5	Very low	29.7	Very low	112.4 Å²	112.4	136.9 Å²	136.9	79%	0.786	75%	0.745	S	S	*	*			trans	162	141.2	174.2	61.8	0	0	0	0	113.3
2177	S	29.7	Very low	29.9	Very low	100.2 Å²	100.2	137.1 Å²	137.1	70%	0.701	74%	0.742	S	S	*	*				-158.1	122.4	80.4	173.1	0	0	0	0	111.4
2178	K	28.5	Very low	30	Very low	183 Å²	183	138.1 Å²	138.1	80%	0.796	74%	0.741	S	S	*	*				56.6	124.9	107.5	-71.5	165.5	-175.2	168.9	0	113.5
2179	R	29.9	Very low	30.3	Very low	227.4 Å²	227.4	136.4 Å²	136.4	86%	0.858	74%	0.736	S	S	*	*				-174.6	136.1	88.6	-98.6	164.7	177	170.7	-2.5	110.6
2180	K	27.9	Very low	30.3	Very low	184.2 Å²	184.2	139.8 Å²	139.8	80%	0.801	74%	0.738	S	S	*	*				65.3	115.3	96	-98.5	-177.1	-179.1	-175.4	0	113.1
2181	S	29.5	Very low	30.4	Very low	86.6 Å²	86.6	138.3 Å²	138.3	61%	0.606	73%	0.73	S	S	*	*				167.9	123.3	126.6	63.8	0	0	0	0	111.2
2182	N	28.1	Very low	30.4	Very low	131.8 Å²	131.8	133.4 Å²	133.4	71%	0.705	73%	0.729	S	S	*	*				88	130.6	122.8	-69.4	24.3	0	0	0	114.2
2183	T	29.6	Very low	30.4	Very low	114.6 Å²	114.6	133.8 Å²	133.8	70%	0.703	74%	0.736	S	S	*	*			trans	-116.7	153.1	159.4	45.9	0	0	0	0	115
2184	S	28.4	Very low	30.6	Very low	91 Å²	91	133.3 Å²	133.3	64%	0.636	74%	0.738	S	S	*	*			trans	152	143.1	177.4	50.7	0	0	0	0	114.3
2185	I	33.4	Very low	30.8	Very low	132.2 Å²	132.2	131 Å²	131	68%	0.678	74%	0.74	S	S	*	*			trans	174.9	136.4	149.6	-88.5	177.6	0	0	0	112.9
2186	N	33.6	Very low	31.1	Very low	127.6 Å²	127.6	131.4 Å²	131.4	68%	0.682	74%	0.74	S	S	*	*			trans	49.4	139.2	158.3	-73.1	-11.1	0	0	0	117.2
2187	N	33.3	Very low	31.1	Very low	130.2 Å²	130.2	131.4 Å²	131.4	70%	0.696	74%	0.739	S	S	*	*				103.7	139.6	90.5	-80.6	-23.2	0	0	0	115.1
2188	N	34.9	Very low	31.5	Very low	137.8 Å²	137.8	132.4 Å²	132.4	74%	0.737	74%	0.743	S	S	*	*				165.7	154.3	89.2	-106.2	-31.2	0	0	0	115
2189	I	36.2	Very low	31.7	Very low	137 Å²	137	130.4 Å²	130.4	70%	0.703	74%	0.739	S	S	*	*				116.6	127.1	103.8	-82.8	164.4	0	0	0	114.7
2190	K	32.2	Very low	31.8	Very low	188.6 Å²	188.6	126.6 Å²	126.6	82%	0.82	74%	0.736	S	S	*	*			trans	65.9	140.8	157	-68.3	171.9	-177.1	177.1	0	117.9
2191	S	29.3	Very low	32	Very low	101.4 Å²	101.4	123.8 Å²	123.8	71%	0.709	74%	0.735	S	S	*	*			cis	145	133.6	3.8	54.9	0	0	0	0	112.2
2192	C	28.7	Very low	32.3	Very low	126.6 Å²	126.6	123.7 Å²	123.7	86%	0.855	74%	0.739	S	S	*	*				177.7	150.9	118.1	-76.9	0	0	0	0	113
2193	S	28.7	Very low	32.6	Very low	110.6 Å²	110.6	123.9 Å²	123.9	77%	0.773	74%	0.74	S	S	*	*			trans	-116.4	166	161.6	58.1	0	0	0	0	112
2194	S	33.5	Very low	32.9	Very low	110 Å²	110	124.6 Å²	124.6	77%	0.769	74%	0.739	S	S	*	*				160	157	61.1	50.3	0	0	0	0	115.1
2195	S	33.3	Very low	33.2	Very low	111 Å²	111	125.5 Å²	125.5	78%	0.776	74%	0.741	S	S	*	*			trans	-127.9	175.3	145.3	61.2	0	0	0	0	112.5
2196	P	35.3	Very low	33.2	Very low	116 Å²	116	125.5 Å²	125.5	75%	0.753	75%	0.747	S	S	*	*				-131.6	-180	-71.4	37.6	-19.2	0	0	0	115.9
2197	C	29.8	Very low	33.1	Very low	112.2 Å²	112.2	124.6 Å²	124.6	76%	0.758	75%	0.751	S	S	*	*			trans	-61.5	159.6	164.9	-51.8	0	0	0	0	115
2198	P	38.5	Very low	33	Very low	120.6 Å²	120.6	125.9 Å²	125.9	78%	0.783	76%	0.755	S	S	*	*				-120.9	162.9	97.2	36.1	-24.2	0	0	0	113
2199	I	31	Very low	32.9	Very low	141.2 Å²	141.2	125.8 Å²	125.8	72%	0.724	75%	0.754	S	S	*	*				112.4	123.1	55.9	-62.7	172.1	0	0	0	114.3
2200	N	32.4	Very low	32.8	Very low	148 Å²	148	125.4 Å²	125.4	79%	0.791	75%	0.754	S	S	*	*			trans	169	148.4	149.3	-90.6	-11.7	0	0	0	114.9
2201	T	33.3	Very low	32.7	Very low	125.75 Å²	125.75	124.5 Å²	124.5	77%	0.771	75%	0.75	S	S	*	*				176.7	152.4	98.2	40.2	0	0	0	0	111.2
2202	A	35.8	Very low	32.9	Very low	83 Å²	83	123.6 Å²	123.6	69%	0.686	74%	0.744	S	S	*	*				175.8	149.5	77.9	0	0	0	0	0	111.1
2203	N	34.5	Very low	33	Very low	136.75 Å²	136.75	125 Å²	125	73%	0.731	74%	0.735	S	S	*	*				80.6	149.5	81.9	-70.8	31.1	0	0	0	114.7
2204	D	34.9	Very low	33.1	Very low	129 Å²	129	125.2 Å²	125.2	69%	0.69	73%	0.728	S	S	*	*			cis	-163.9	164.1	14	-103.8	-31.6	0	0	0	111
2205	T	34	Very low	33	Very low	109.75 Å²	109.75	126.4 Å²	126.4	67%	0.673	72%	0.721	S	S	*	*				120.2	145.4	70	43.6	0	0	0	0	117.2
2206	T	33.4	Very low	32.7	Very low	132 Å²	132	127.7 Å²	127.7	81%	0.81	72%	0.719	S	S	*	*			trans	63.2	133.9	149.3	61.9	0	0	0	0	121.4
2207	S	31.7	Very low	32.2	Very low	108.5 Å²	108.5	131.5 Å²	131.5	76%	0.759	72%	0.719	S	S	*	*				170.3	142	53.7	81.8	0	0	0	0	115.1
2208	M	32.4	Very low	32.1	Very low	157.25 Å²	157.25	132.4 Å²	132.4	78%	0.775	72%	0.716	S	S	*	*			trans	45.9	136	166.6	-51.3	-56.9	-90.3	0	0	120.2
2209	D	32.9	Very low	31.5	Very low	136 Å²	136	132.3 Å²	132.3	73%	0.727	71%	0.709	S	S	*	*				69.4	122.8	128.4	-61.3	-12.9	0	0	0	120.9
2210	D	32.6	Very low	31.4	Very low	129.75 Å²	129.75	132.7 Å²	132.7	69%	0.694	71%	0.711	S	S	*	*				132.6	140.3	93.4	-132.4	12.9	0	0	0	117.8
2211	K	31.9	Very low	31.2	Very low	169.25 Å²	169.25	130.1 Å²	130.1	74%	0.736	71%	0.705	S	S	*	*			trans	-12.2	133	155.9	-68.4	162.7	-159.6	116.8	0	118.4
2212	S	32.4	Very low	31.1	Very low	83.25 Å²	83.25	130.3 Å²	130.3	58%	0.582	70%	0.701	S	S	*	*				154	162.9	55.8	56.4	0	0	0	0	116.8
2213	K	31.4	Very low	30.8	Very low	155.75 Å²	155.75	133.6 Å²	133.6	68%	0.677	70%	0.703	S	S	*	*			trans	61.6	137.7	163.6	-87.7	160.1	-172	173.7	0	117.8
2214	N	30.2	Very low	30.6	Very low	115 Å²	115	132.9 Å²	132.9	62%	0.615	70%	0.703	S	S	*	*			trans	-174.5	149.3	142.1	-106.1	-12.2	0	0	0	113.5
2215	Q	30.6	Very low	30.4	Very low	134.5 Å²	134.5	136.1 Å²	136.1	63%	0.629	71%	0.711	S	S	*	*			trans	65.6	122.6	140	-64.1	178.9	-6.3	0	0	118.3
2216	L	27.1	Very low	30.1	Very low	138.5 Å²	138.5	135.9 Å²	135.9	73%	0.725	71%	0.714	S	S	*	*				-176.4	155.4	73.5	-86.1	167.7	0	0	0	113.6
2217	Y	25.7	Very low	29.9	Very low	194.75 Å²	194.75	137.3 Å²	137.3	76%	0.764	72%	0.715	S	S	*	*			trans	-70.7	139.8	167	-109.8	-102.7	0	0	0	113.4
2218	L	27.7	Very low	29.9	Very low	131.25 Å²	131.25	136.6 Å²	136.6	69%	0.687	71%	0.71	S	S	*	*			trans	130	142.3	133.5	-99.3	151.7	0	0	0	117.2	L2220 I2579	L2218-L2220 HydrophobicContact CD2-CD1 4.19Å; L2218-I2579 HydrophobicContact CD1-CD1 3.65Å; L2218-I2579 HydrophobicContact CD1-CG1 3.77Å; L2218-I2579 HydrophobicContact CD2-CG2 4.1Å
2219	N	26.5	Very low	29.7	Very low	119.25 Å²	119.25	136 Å²	136	64%	0.638	71%	0.711	S	S	*	*			trans	-11.7	127.4	168.2	-91.2	-6.2	0	0	0	115.9	S2221	N2219-S2221 PolarHBondContact O-N 3Å; N2219-S2221 PolarHBondContact OD1-OG 3.37Å
2220	L	28.6	Very low	29.5	Very low	149 Å²	149	134.8 Å²	134.8	78%	0.78	71%	0.712	S	S	*	*			trans	-121	107.4	147.7	-95.8	113	0	0	0	110.7	L2218 Q2223	L2218-L2220 HydrophobicContact CD2-CD1 4.19Å; L2220-Q2223 HydrophobicContact CD2-CB 4.07Å; L2220-Q2223 HydrophobicContact CD2-CG 4.5Å
2221	S	28.3	Very low	29.3	Very low	93.75 Å²	93.75	131.6 Å²	131.6	66%	0.656	70%	0.699	S	S	*	*			trans	-114.9	102.2	163.5	-6.3	0	0	0	0	112.8	N2219	N2219-S2221 PolarHBondContact O-N 3Å; N2219-S2221 PolarHBondContact OD1-OG 3.37Å
2222	D	29.7	Very low	29.2	Very low	129.5 Å²	129.5	129.6 Å²	129.6	69%	0.693	69%	0.692	S	S	*	*			trans	154.3	44.6	166.4	-69.7	-32.7	0	0	0	117.2	V2224	D2222-V2224 PolarHBondContact O-N 2.82Å
2223	Q	29.9	Very low	29	Very low	152.75 Å²	152.75	131.5 Å²	131.5	71%	0.714	70%	0.696	S	S	*	*			trans	-139.7	115	144	-90.3	174.8	45.6	0	0	111.5	L2220	L2220-Q2223 HydrophobicContact CD2-CB 4.07Å; L2220-Q2223 HydrophobicContact CD2-CG 4.5Å
2224	V	31.4	Very low	29	Very low	122.75 Å²	122.75	127.8 Å²	127.8	74%	0.744	69%	0.69	S	S	*	*				-164	95.5	120.4	177.3	0	0	0	0	113.2	D2222	D2222-V2224 PolarHBondContact O-N 2.82Å
2225	K	29.8	Very low	28.9	Very low	196.25 Å²	196.25	129.6 Å²	129.6	85%	0.853	69%	0.694	S	S	*	*			trans	-117.3	79.5	169.5	-87.7	172	-177.5	175	0	112.3
2226	S	27.8	Very low	29	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	70%	0.696	S	S	*	*			trans	-152.3	74.1	-179.7	63.4	0	0	0	0	115.6
2227	L	29.7	Very low	29.1	Very low	160.25 Å²	160.25	126 Å²	126	84%	0.839	69%	0.693	S	S	*	*			trans	-148.9	97.7	149.2	-98.5	95.2	0	0	0	111.2
2228	S	30.5	Very low	29.5	Very low	94 Å²	94	120.7 Å²	120.7	66%	0.657	69%	0.685	S	S	*	*				79.3	115.2	125.8	61.5	0	0	0	0	113.1
2229	N	29.6	Very low	29.7	Very low	146 Å²	146	121 Å²	121	78%	0.781	69%	0.686	S	S	*	*			trans	115.5	108.1	169.8	-102.8	-2.8	0	0	0	113.2	T2797	N2229-T2797 WeakPolarHBondContact O-CG2 3.36Å
2230	C	28.9	Very low	30	Very low	110.25 Å²	110.25	118.9 Å²	118.9	75%	0.745	68%	0.681	S	S	*	*				-132	120.7	115.2	-76.4	0	0	0	0	111.6	T2797	C2230-T2797 VanDerWaalsContact CA-OG1 3.24Å; C2230-T2797 WeakPolarHBondContact CA-OG1 3.32Å; C2230-T2797 PolarHBondContact N-OG1 3.47Å
2231	S	27.8	Very low	30.2	Very low	62.5 Å²	62.5	117.7 Å²	117.7	44%	0.437	68%	0.676	S	S	.	*				-22	141.6	124.9	110.3	0	0	0	0	113.6	T2797	S2231-T2797 WeakPolarHBondContact CA-OG1 3.26Å; S2231-T2797 WeakPolarHBondContact CB-OG1 3.45Å; S2231-T2797 PolarHBondContact N-OG1 2.82Å; S2231-T2797 PolarHBondContact O-OG1 3.18Å; S2231-T2797 PolarHBondContact OG-OG1 3Å
2232	H	30.4	Very low	30.5	Very low	127.75 Å²	127.75	120.3 Å²	120.3	59%	0.591	68%	0.682	S	S	*	*				178.2	148	107.5	-98	-89.6	0	0	0	114.4	I2681 K2682 L2683 T2797 F2798 Y2799	H2232-I2681 PolarHBondContact CD2-O 3.21Å; H2232-K2682 VanDerWaalsContact C-NZ 3.32Å; H2232-K2682 HydrophobicContact CB-CG 3.96Å; H2232-K2682 VanDerWaalsContact CD2-CA 3.41Å; H2232-K2682 WeakPolarHBondContact CD2-CA 3.49Å; H2232-K2682 VanDerWaalsContact CD2-CG 3.49Å; H2232-K2682 WeakPolarHBondContact CD2-CG 3.46Å; H2232-K2682 WeakPolarHBondContact CE1-CG 3.39Å; H2232-K2682 VanDerWaalsContact ND1-CE 3.29Å; H2232-K2682 WeakPolarHBondContact ND1-CE 3.21Å; H2232-K2682 WeakPolarHBondContact ND1-CG 3.11Å; H2232-K2682 PolarHBondContact O-NZ 2.82Å; H2232-L2683 PolarHBondContact CE1-O 3.28Å; H2232-L2683 PolarHBondContact NE2-N 3.06Å; H2232-L2683 PolarHBondContact NE2-O 2.75Å; H2232-T2797 VanDerWaalsContact CB-N 3.32Å; H2232-T2797 PolarHBondContact CD2-N 2.82Å; H2232-T2797 PolarHBondContact CD2-O 3.33Å; H2232-T2797 PolarHBondContact CE1-O 2.86Å; H2232-T2797 VanDerWaalsContact CG-N 3.27Å; H2232-T2797 VanDerWaalsContact ND1-C 3.33Å; H2232-T2797 PolarHBondContact ND1-O 3.19Å; H2232-T2797 VanDerWaalsContact NE2-C 3.35Å; H2232-T2797 PolarHBondContact NE2-O 3.09Å; H2232-F2798 VanDerWaalsContact CE1-CA 3.44Å; H2232-F2798 WeakPolarHBondContact CE1-CA 3.01Å; H2232-F2798 PolarHBondContact NE2-N 3.11Å; H2232-Y2799 PolarHBondContact CE1-N 3.45Å; H2232-Y2799 VanDerWaalsContact CE1-N 3.32Å
2233	N	27.1	Very low	30.7	Very low	121.75 Å²	121.75	120.9 Å²	120.9	65%	0.651	68%	0.679	S	S	*	*			trans	-75.5	168.6	175.3	-52.5	-20.3	0	0	0	115.2	V2596 E2680 I2681 K2682	N2233-V2596 WeakPolarHBondContact ND2-CB 3.5Å; N2233-V2596 WeakPolarHBondContact ND2-CG2 3.47Å; N2233-E2680 VanDerWaalsContact ND2-CB 3.31Å; N2233-E2680 WeakPolarHBondContact ND2-CB 3.12Å; N2233-E2680 PolarHBondContact ND2-O 3.16Å; N2233-E2680 VanDerWaalsContact OD1-C 3.23Å; N2233-E2680 WeakPolarHBondContact OD1-CB 3.42Å; N2233-I2681 PolarHBondContact OD1-N 3.02Å; N2233-K2682 VanDerWaalsContact C-CD 3.42Å; N2233-K2682 HydrophobicContact CB-CB 4.11Å; N2233-K2682 VanDerWaalsContact N-CG 3.34Å; N2233-K2682 VanDerWaalsContact O-CD 3.31Å; N2233-K2682 WeakPolarHBondContact O-CD 3.4Å; N2233-K2682 PolarHBondContact O-NZ 3.02Å
2234	S	31.1	Very low	31	Very low	79 Å²	79	119.8 Å²	119.8	55%	0.552	68%	0.676	S	S	*	*			trans	-164.4	133.8	153	58.3	0	0	0	0	114.5	R2592 K2682	S2234-R2592 PolarHBondContact OG-NE 3.06Å; S2234-R2592 PolarHBondContact OG-NH2 2.98Å; S2234-K2682 WeakPolarHBondContact OG-CD 3.3Å
2235	E	29.7	Very low	31.1	Very low	152.25 Å²	152.25	122.8 Å²	122.8	71%	0.711	68%	0.68	S	S	*	*			trans	-22.5	134.1	140.4	-86.3	-177.5	148	0	0	114.3	R2545 I2547 H2549 R2592 V2594	E2235-R2545 VanDerWaalsContact CG-NH2 3.31Å; E2235-I2547 VanDerWaalsContact CD-CG1 3.44Å; E2235-I2547 VanDerWaalsContact CD-CG2 3.44Å; E2235-I2547 HydrophobicContact CG-CD1 4.34Å; E2235-I2547 HydrophobicContact CG-CG1 4.04Å; E2235-I2547 WeakPolarHBondContact OE1-CG2 3.31Å; E2235-I2547 WeakPolarHBondContact OE2-CG1 3.37Å; E2235-I2547 VanDerWaalsContact OE2-CG2 3.23Å; E2235-I2547 WeakPolarHBondContact OE2-CG2 3.36Å; E2235-H2549 IonicContact OE1-CE1 3.72Å; E2235-H2549 PolarHBondContact OE1-CE1 2.85Å; E2235-H2549 IonicContact OE1-ND1 3.64Å; E2235-H2549 IonicContact OE1-NE2 2.79Å; E2235-H2549 IonicContact OE2-CE1 3.86Å; E2235-H2549 PolarHBondContact OE2-CE1 3.31Å; E2235-H2549 IonicContact OE2-NE2 2.84Å; E2235-H2549 PolarHBondContact OE2-NE2 2.86Å; E2235-R2592 PolarHBondContact O-NE 3.33Å; E2235-R2592 PolarHBondContact O-NH2 3.03Å; E2235-V2594 HydrophobicContact CB-CG2 3.34Å; E2235-V2594 HydrophobicContact CG-CG2 3.44Å; E2235-V2594 VanDerWaalsContact CG-CG2 3.44Å; E2235-V2594 WeakPolarHBondContact OE2-CG2 3.3Å
2236	P	31.8	Very low	31.5	Very low	103.75 Å²	103.75	120.3 Å²	120.3	67%	0.674	67%	0.674	S	S	*	*			trans	-134.1	177.6	138.5	41.3	-27.3	0	0	0	115.6	H2549	P2236-H2549 WeakPolarHBondContact CB-NE2 3.34Å
2237	S	29.2	Very low	31.7	Very low	94 Å²	94	121.7 Å²	121.7	66%	0.657	67%	0.673	S	S	*	*			trans	102.2	138.2	167.7	67.6	0	0	0	0	116.9
2238	S	34.1	Very low	32	Very low	84.25 Å²	84.25	119.9 Å²	119.9	59%	0.589	67%	0.671	S	S	*	*				80.4	148.7	111.4	71.9	0	0	0	0	118.7	R2310	S2238-R2310 WeakPolarHBondContact CA-O 3.47Å; S2238-R2310 VanDerWaalsContact CB-O 3.23Å; S2238-R2310 WeakPolarHBondContact CB-O 3.46Å; S2238-R2310 PolarHBondContact O-NE 3.36Å; S2238-R2310 WeakPolarHBondContact OG-CG 3.31Å; S2238-R2310 PolarHBondContact OG-NE 3.32Å
2239	L	31.5	Very low	32.1	Very low	136.25 Å²	136.25	119.6 Å²	119.6	71%	0.713	67%	0.674	S	S	*	*			trans	-87.1	134.9	167.7	-78.6	113.6	0	0	0	115	R2307 A2308 N2309 R2310	L2239-R2307 CarbonylContact C-O 3.58Å; L2239-R2307 VanDerWaalsContact CD2-O 3.25Å; L2239-R2307 WeakPolarHBondContact CD2-O 3.35Å; L2239-R2307 CarbonylContact O-C 3.5Å; L2239-A2308 CarbonylContact O-C 3.51Å; L2239-A2308 PolarHBondContact O-N 3.18Å; L2239-N2309 CarbonylContact C-O 3.53Å; L2239-N2309 CarbonylContact O-C 3.58Å; L2239-N2309 PolarHBondContact O-N 3.42Å; L2239-N2309 VanDerWaalsContact O-O 3.11Å; L2239-R2310 VanDerWaalsContact N-CA 3.3Å; L2239-R2310 PolarHBondContact N-O 2.99Å
2240	S	33.7	Very low	32.3	Very low	76.25 Å²	76.25	119 Å²	119	53%	0.533	67%	0.671	S	S	.	*				-178.1	165.9	72.2	48	0	0	0	0	113.7	R2307 A2308 N2309 R2310	S2240-R2307 WeakPolarHBondContact CA-O 3.3Å; S2240-R2307 WeakPolarHBondContact CB-O 3.29Å; S2240-R2307 PolarHBondContact N-O 2.95Å; S2240-R2307 VanDerWaalsContact N-O 3.16Å; S2240-R2307 PolarHBondContact OG-O 3.06Å; S2240-A2308 VanDerWaalsContact C-C 3.41Å; S2240-A2308 CarbonylContact C-O 3.56Å; S2240-N2309 CarbonylContact O-C 3.47Å; S2240-N2309 WeakPolarHBondContact O-CA 3.49Å; S2240-R2310 VanDerWaalsContact N-CD 3.29Å; S2240-R2310 WeakPolarHBondContact O-CA 3.41Å; S2240-R2310 WeakPolarHBondContact O-CB 3.07Å; S2240-R2310 PolarHBondContact O-N 3.4Å; S2240-R2310 PolarHBondContact OG-NH1 3.14Å
2241	D	32.2	Very low	32.4	Very low	124.25 Å²	124.25	121.5 Å²	121.5	66%	0.664	68%	0.677	S	S	*	*			trans	-51.2	129.6	179.3	-64.6	-42.1	0	0	0	114.8	F2243 R2307 A2308	D2241-F2243 HydrophobicContact CB-CD2 4.22Å; D2241-F2243 HydrophobicContact CB-CE2 3.72Å; D2241-F2243 HydrophobicContact CB-CZ 3.95Å; D2241-F2243 PolarHBondContact O-N 2.75Å; D2241-F2243 VanDerWaalsContact OD2-CZ 3.3Å; D2241-F2243 WeakPolarHBondContact OD2-CZ 3.42Å; D2241-R2307 VanDerWaalsContact OD2-C 3.24Å; D2241-R2307 WeakPolarHBondContact OD2-CB 3.44Å; D2241-A2308 VanDerWaalsContact N-C 3.33Å; D2241-A2308 PolarHBondContact N-O 2.93Å; D2241-A2308 WeakPolarHBondContact OD2-CA 3.06Å
2242	D	34	Very low	32.6	Very low	147.5 Å²	147.5	127.8 Å²	127.8	79%	0.789	69%	0.692	S	S	*	*			trans	-112.9	125.2	159.7	-88	-33.6	0	0	0	113.1	I2244	D2242-I2244 PolarHBondContact O-N 2.87Å
2243	F	34.5	Very low	32.8	Very low	141.25 Å²	141.25	129.1 Å²	129.1	62%	0.62	70%	0.702	S	S	*	*			trans	-69.6	116.7	176	-74.9	-76.7	0	0	0	114.4	S2120 D2241 F2245 N2305 A2308	S2120-F2243 VanDerWaalsContact CA-O 3.28Å; S2120-F2243 WeakPolarHBondContact CA-O 3.41Å; S2120-F2243 WeakPolarHBondContact CB-O 3.21Å; D2241-F2243 HydrophobicContact CB-CD2 4.22Å; D2241-F2243 HydrophobicContact CB-CE2 3.72Å; D2241-F2243 HydrophobicContact CB-CZ 3.95Å; D2241-F2243 PolarHBondContact O-N 2.75Å; D2241-F2243 VanDerWaalsContact OD2-CZ 3.3Å; D2241-F2243 WeakPolarHBondContact OD2-CZ 3.42Å; F2243-F2245 VanDerWaalsContact O-CD2 3.29Å; F2243-F2245 WeakPolarHBondContact O-CD2 3.41Å; F2243-F2245 PolarHBondContact O-N 2.9Å; F2243-F2245 VanDerWaalsContact O-N 3.14Å; F2243-N2305 HydrophobicContact CE1-CB 3.87Å; F2243-N2305 WeakPolarHBondContact CE1-ND2 3.3Å; F2243-N2305 HydrophobicContact CE2-CB 3.96Å; F2243-N2305 HydrophobicContact CZ-CB 3.41Å; F2243-N2305 VanDerWaalsContact CZ-CB 3.41Å; F2243-N2305 VanDerWaalsContact CZ-CG 3.41Å; F2243-A2308 HydrophobicContact CE2-CB 3.67Å; F2243-A2308 HydrophobicContact CZ-CB 3.55Å
2244	I	35.4	Very low	33.1	Very low	130 Å²	130	128.6 Å²	128.6	67%	0.667	70%	0.703	S	S	*	*			trans	-86.5	107.8	169.9	-58.2	177.2	0	0	0	109	F2123 D2242 I2246	F2123-I2244 HydrophobicContact CD2-CB 4.2Å; F2123-I2244 HydrophobicContact CD2-CD1 3.85Å; F2123-I2244 HydrophobicContact CD2-CG2 4.05Å; F2123-I2244 HydrophobicContact CE2-CB 4.14Å; F2123-I2244 HydrophobicContact CE2-CD1 3.98Å; F2123-I2244 HydrophobicContact CE2-CG1 4.48Å; F2123-I2244 HydrophobicContact CE2-CG2 4.48Å; D2242-I2244 PolarHBondContact O-N 2.87Å; I2244-I2246 HydrophobicContact CG2-CD1 4.24Å; I2244-I2246 HydrophobicContact CG2-CG1 4.11Å; I2244-I2246 PolarHBondContact O-N 3.32Å; I2244-I2246 VanDerWaalsContact O-N 3.12Å
2245	F	34.5	Very low	33.2	Very low	186.75 Å²	186.75	129.9 Å²	129.9	82%	0.819	71%	0.71	S	S	*	*			trans	-69.4	121.7	170	-72.5	-92.1	0	0	0	110.1	F2243 D2247	F2243-F2245 VanDerWaalsContact O-CD2 3.29Å; F2243-F2245 WeakPolarHBondContact O-CD2 3.41Å; F2243-F2245 PolarHBondContact O-N 2.9Å; F2243-F2245 VanDerWaalsContact O-N 3.14Å; F2245-D2247 PolarHBondContact O-N 3.14Å
2246	I	37.3	Very low	33.4	Very low	143.5 Å²	143.5	131.9 Å²	131.9	74%	0.736	72%	0.716	S	S	*	*			trans	-104.6	112	170.4	-58.5	177.8	0	0	0	107.2	F2123 I2244 P2248	F2123-I2246 HydrophobicContact CD2-CD1 3.8Å; I2244-I2246 HydrophobicContact CG2-CD1 4.24Å; I2244-I2246 HydrophobicContact CG2-CG1 4.11Å; I2244-I2246 PolarHBondContact O-N 3.32Å; I2244-I2246 VanDerWaalsContact O-N 3.12Å; I2246-P2248 WeakPolarHBondContact O-CD 3.47Å
2247	D	33.4	Very low	33.5	Very low	133.75 Å²	133.75	134 Å²	134	72%	0.715	72%	0.717	S	S	*	*			trans	-61.2	126.1	178.9	-92.7	-43.6	0	0	0	111.3	F2245 A2249	F2245-D2247 PolarHBondContact O-N 3.14Å; D2247-A2249 HydrophobicContact CB-CB 3.82Å; D2247-A2249 PolarHBondContact O-N 3.06Å; D2247-A2249 VanDerWaalsContact O-N 3.14Å
2248	P	35.8	Very low	33.7	Very low	122.5 Å²	122.5	140.1 Å²	140.1	80%	0.795	73%	0.726	S	S	*	*			trans	-79.6	41.2	-179.3	33.8	-36.2	0	0	0	112.4	I2246 L2250	I2246-P2248 WeakPolarHBondContact O-CD 3.47Å; P2248-L2250 VanDerWaalsContact C-N 3.3Å; P2248-L2250 PolarHBondContact O-N 3.25Å
2249	A	32.3	Very low	33.9	Very low	87.5 Å²	87.5	143.3 Å²	143.3	72%	0.723	74%	0.735	S	S	*	*			trans	-93.4	24.6	-172.9	0	0	0	0	0	114.3	D2247	D2247-A2249 HydrophobicContact CB-CB 3.82Å; D2247-A2249 PolarHBondContact O-N 3.06Å; D2247-A2249 VanDerWaalsContact O-N 3.14Å
2250	L	33.1	Very low	34.2	Very low	134.25 Å²	134.25	146.2 Å²	146.2	70%	0.703	74%	0.736	S	S	*	*			trans	-124	111.8	175.7	-91.6	144.5	0	0	0	111.6	P2248 Y2252	P2248-L2250 VanDerWaalsContact C-N 3.3Å; P2248-L2250 PolarHBondContact O-N 3.25Å; L2250-Y2252 HydrophobicContact CB-CD2 4.04Å; L2250-Y2252 HydrophobicContact CB-CE2 4Å; L2250-Y2252 HydrophobicContact CD1-CE2 4.13Å; L2250-Y2252 HydrophobicContact CD2-CE2 3.6Å; L2250-Y2252 HydrophobicContact CG-CE2 4.37Å; L2250-Y2252 WeakPolarHBondContact O-CD2 3.4Å; L2250-Y2252 PolarHBondContact O-N 2.91Å; L2250-Y2252 VanDerWaalsContact O-N 3.1Å
2251	N	32.3	Very low	34.4	Very low	162.5 Å²	162.5	146.3 Å²	146.3	87%	0.869	74%	0.736	S	S	*	*			trans	-67.3	105.7	172.4	-84	-36.4	0	0	0	111	I2253	N2251-I2253 PolarHBondContact O-N 3.12Å
2252	Y	31.9	Very low	34.8	Very low	195.5 Å²	195.5	147.6 Å²	147.6	77%	0.767	74%	0.742	S	S	*	*			trans	-82.2	90.9	171.8	-77.6	-78.4	0	0	0	112.2	L2250 T2254	L2250-Y2252 HydrophobicContact CB-CD2 4.04Å; L2250-Y2252 HydrophobicContact CB-CE2 4Å; L2250-Y2252 HydrophobicContact CD1-CE2 4.13Å; L2250-Y2252 HydrophobicContact CD2-CE2 3.6Å; L2250-Y2252 HydrophobicContact CG-CE2 4.37Å; L2250-Y2252 WeakPolarHBondContact O-CD2 3.4Å; L2250-Y2252 PolarHBondContact O-N 2.91Å; L2250-Y2252 VanDerWaalsContact O-N 3.1Å; Y2252-T2254 PolarHBondContact O-N 3.04Å; Y2252-T2254 VanDerWaalsContact O-N 3.1Å
2253	I	34.2	Very low	35.1	Very low	153.5 Å²	153.5	146.3 Å²	146.3	79%	0.787	73%	0.734	S	S	*	*			trans	-74.3	115.5	156.9	-60.3	172.5	0	0	0	107.8	N2251 P2255	N2251-I2253 PolarHBondContact O-N 3.12Å; I2253-P2255 VanDerWaalsContact O-CD 3.26Å; I2253-P2255 WeakPolarHBondContact O-CD 3.41Å
2254	T	34.1	Very low	35.2	Very low	111.25 Å²	111.25	148.1 Å²	148.1	68%	0.683	75%	0.745	S	S	*	*			trans	-13.1	118.6	170.9	48.9	0	0	0	0	113.1	Y2252 K2256	Y2252-T2254 PolarHBondContact O-N 3.04Å; Y2252-T2254 VanDerWaalsContact O-N 3.1Å; T2254-K2256 PolarHBondContact O-N 2.98Å
2255	P	32.9	Very low	35.3	Very low	106.5 Å²	106.5	146.9 Å²	146.9	69%	0.692	75%	0.745	S	S	*	*			trans	-73.8	120.3	-178.4	28.5	-32.2	0	0	0	110.7	I2253 E2257	I2253-P2255 VanDerWaalsContact O-CD 3.26Å; I2253-P2255 WeakPolarHBondContact O-CD 3.41Å; P2255-E2257 PolarHBondContact O-N 3.07Å; P2255-E2257 VanDerWaalsContact O-N 3.14Å
2256	K	33.2	Very low	35.5	Very low	194.75 Å²	194.75	144.6 Å²	144.6	85%	0.847	75%	0.747	S	S	*	*			trans	-79.4	124.1	155.3	-89.3	-174.6	176.1	-173.1	0	108.4	T2254 R2258	T2254-K2256 PolarHBondContact O-N 2.98Å; K2256-R2258 PolarHBondContact O-N 3.16Å; K2256-R2258 VanDerWaalsContact O-N 3.1Å
2257	E	34.4	Very low	35.6	Very low	148.75 Å²	148.75	145.9 Å²	145.9	70%	0.695	75%	0.747	S	S	*	*			trans	-42.3	111.9	168.8	-71.2	164.4	170.1	0	0	111.8	K2129 R2130 S2131 P2255 I2259	K2129-E2257 WeakPolarHBondContact CB-OE1 3.01Å; K2129-E2257 WeakPolarHBondContact CD-OE1 3.44Å; R2130-E2257 WeakPolarHBondContact CD-OE2 3.07Å; R2130-E2257 IonicContact CZ-OE2 2.66Å; R2130-E2257 IonicContact NE-OE2 3.08Å; R2130-E2257 IonicContact NH1-OE2 2.87Å; R2130-E2257 PolarHBondContact NH1-OE2 3.06Å; S2131-E2257 WeakPolarHBondContact OG-CG 3.49Å; P2255-E2257 PolarHBondContact O-N 3.07Å; P2255-E2257 VanDerWaalsContact O-N 3.14Å; E2257-I2259 PolarHBondContact O-N 2.92Å; E2257-I2259 VanDerWaalsContact O-N 3.16Å
2258	R	32.1	Very low	35.7	Very low	221.75 Å²	221.75	147.2 Å²	147.2	84%	0.837	75%	0.749	S	S	*	*			trans	-74.2	93.8	168.5	-84.9	177.8	167	163.6	-3.8	109.9	K2256 R2260	K2256-R2258 PolarHBondContact O-N 3.16Å; K2256-R2258 VanDerWaalsContact O-N 3.1Å; R2258-R2260 VanDerWaalsContact C-N 3.3Å; R2258-R2260 PolarHBondContact O-N 3.13Å
2259	I	38.6	Very low	35.5	Very low	151.25 Å²	151.25	150.9 Å²	150.9	78%	0.776	75%	0.753	S	S	*	*			trans	-54.2	112.2	158.2	-59.2	171.6	0	0	0	106.9	E2257 C2261	E2257-I2259 PolarHBondContact O-N 2.92Å; E2257-I2259 VanDerWaalsContact O-N 3.16Å; I2259-C2261 PolarHBondContact O-N 3.08Å
2260	R	37.4	Very low	35.7	Very low	196.5 Å²	196.5	151.8 Å²	151.8	74%	0.742	75%	0.754	S	S	*	*			trans	-86.6	112.1	171.1	-76.9	-175	173.6	-178.4	-1.2	107.6	V2134 R2258 L2262	V2134-R2260 VanDerWaalsContact CG1-O 3.3Å; V2134-R2260 WeakPolarHBondContact CG1-O 3.24Å; V2134-R2260 HydrophobicContact CG2-CB 3.91Å; V2134-R2260 WeakPolarHBondContact CG2-O 3.49Å; R2258-R2260 VanDerWaalsContact C-N 3.3Å; R2258-R2260 PolarHBondContact O-N 3.13Å; R2260-L2262 PolarHBondContact O-N 3.13Å; R2260-L2262 VanDerWaalsContact O-N 3.12Å
2261	C	38.6	Very low	35.6	Very low	79.5 Å²	79.5	150.6 Å²	150.6	54%	0.537	76%	0.757	S	S	.	*			trans	-73.3	130.3	163.4	-135.8	0	0	0	0	108.2	D2135 I2259 L2263 F2287 I2289	D2135-C2261 PolarHBondContact OD2-SG 2.98Å; I2259-C2261 PolarHBondContact O-N 3.08Å; C2261-L2263 VanDerWaalsContact C-N 3.26Å; C2261-L2263 WeakPolarHBondContact CB-O 3.49Å; C2261-L2263 PolarHBondContact O-N 3.05Å; C2261-L2263 PolarHBondContact SG-O 3.28Å; C2261-F2287 VanDerWaalsContact SG-CZ 3.55Å; C2261-I2289 HydrophobicContact CB-CD1 4.48Å
2262	L	41.3	Very low	35.9	Very low	150.25 Å²	150.25	148.5 Å²	148.5	79%	0.787	75%	0.752	S	S	*	*	S	Bend	trans	-84.7	7.8	176.7	-71.4	172.5	0	0	0	111.8	V2134 D2135 R2260 Q2264	V2134-L2262 HydrophobicContact CB-CB 4.01Å; V2134-L2262 HydrophobicContact CB-CD1 4.2Å; V2134-L2262 HydrophobicContact CB-CG 4.21Å; V2134-L2262 HydrophobicContact CG2-CB 3.95Å; V2134-L2262 HydrophobicContact CG2-CD1 3.84Å; V2134-L2262 HydrophobicContact CG2-CG 3.67Å; V2134-L2262 WeakPolarHBondContact O-CD1 3.06Å; D2135-L2262 HydrophobicContact CB-CB 3.89Å; D2135-L2262 PolarHBondContact OD2-N 3.45Å; R2260-L2262 PolarHBondContact O-N 3.13Å; R2260-L2262 VanDerWaalsContact O-N 3.12Å; L2262-Q2264 PolarHBondContact O-N 3.02Å
2263	L	39.7	Very low	36	Very low	120.25 Å²	120.25	144.9 Å²	144.9	63%	0.63	75%	0.751	S	S	*	*	S	Bend	trans	-92.8	109.5	164.7	-73.7	167.4	0	0	0	108.6	D2135 I2136 C2261 P2265 F2287	D2135-L2263 HydrophobicContact CB-CB 4.46Å; D2135-L2263 HydrophobicContact CB-CD1 4.32Å; D2135-L2263 HydrophobicContact CB-CG 3.95Å; D2135-L2263 PolarHBondContact OD2-N 2.96Å; I2136-L2263 HydrophobicContact CB-CD1 4Å; I2136-L2263 HydrophobicContact CB-CG 4.31Å; I2136-L2263 HydrophobicContact CD1-CD1 3.95Å; I2136-L2263 HydrophobicContact CG2-CD1 3.89Å; I2136-L2263 HydrophobicContact CG2-CD2 4.21Å; I2136-L2263 HydrophobicContact CG2-CG 4.3Å; C2261-L2263 VanDerWaalsContact C-N 3.26Å; C2261-L2263 WeakPolarHBondContact CB-O 3.49Å; C2261-L2263 PolarHBondContact O-N 3.05Å; C2261-L2263 PolarHBondContact SG-O 3.28Å; L2263-P2265 VanDerWaalsContact O-CD 3.22Å; L2263-P2265 WeakPolarHBondContact O-CD 3.4Å; L2263-F2287 HydrophobicContact CB-CZ 4.38Å
2264	Q	37.3	Very low	36	Very low	180.5 Å²	180.5	144.5 Å²	144.5	84%	0.843	75%	0.749	S	S	*	*			trans	-75.7	118.7	172	-86.1	-179.3	-8.6	0	0	109.1	L2262 T2266	L2262-Q2264 PolarHBondContact O-N 3.02Å; Q2264-T2266 PolarHBondContact O-N 3.34Å; Q2264-T2266 VanDerWaalsContact O-N 3.1Å
2265	P	36.9	Very low	36	Very low	103.5 Å²	103.5	144.8 Å²	144.8	67%	0.672	75%	0.75	S	S	*	*			trans	-69.7	115.2	173.9	28.1	-32.8	0	0	0	109.1	L2263 K2267	L2263-P2265 VanDerWaalsContact O-CD 3.22Å; L2263-P2265 WeakPolarHBondContact O-CD 3.4Å; P2265-K2267 VanDerWaalsContact C-N 3.29Å; P2265-K2267 PolarHBondContact O-N 3.23Å; P2265-K2267 VanDerWaalsContact O-N 3.15Å
2266	T	38.1	Very low	36.1	Very low	138.25 Å²	138.25	145.2 Å²	145.2	85%	0.848	75%	0.751	S	S	*	*			trans	-66.7	93.8	-179.1	17.5	0	0	0	0	110.8	Q2264 Q2268	Q2264-T2266 PolarHBondContact O-N 3.34Å; Q2264-T2266 VanDerWaalsContact O-N 3.1Å; T2266-Q2268 PolarHBondContact O-N 3.1Å
2267	K	39.4	Very low	36.2	Very low	172 Å²	172	142.7 Å²	142.7	75%	0.748	75%	0.747	S	S	*	*			trans	-68.9	117.5	173	-72.4	-172.4	175.5	-175.7	0	110.3	T2152 P2265 F2269	T2152-K2267 HydrophobicContact CG2-CD 4.41Å; P2265-K2267 VanDerWaalsContact C-N 3.29Å; P2265-K2267 PolarHBondContact O-N 3.23Å; P2265-K2267 VanDerWaalsContact O-N 3.15Å; K2267-F2269 PolarHBondContact O-N 3.01Å; K2267-F2269 VanDerWaalsContact O-N 3.13Å
2268	Q	35	Very low	36.1	Very low	160.75 Å²	160.75	142.5 Å²	142.5	75%	0.751	75%	0.751	S	S	*	*			trans	-67.8	128.8	161.1	-77.4	167.9	-8.8	0	0	111.1	L2151 T2152 T2266	L2151-Q2268 VanDerWaalsContact C-OE1 3.26Å; L2151-Q2268 PolarHBondContact O-NE2 3.34Å; T2152-Q2268 PolarHBondContact OG1-OE1 3.01Å; T2266-Q2268 PolarHBondContact O-N 3.1Å
2269	F	33.5	Very low	36.2	Very low	200.75 Å²	200.75	139.9 Å²	139.9	88%	0.88	75%	0.748	S	S	*	*			trans	-109.8	139.9	169.7	-101.3	-88.7	0	0	0	110.8	K2267	K2267-F2269 PolarHBondContact O-N 3.01Å; K2267-F2269 VanDerWaalsContact O-N 3.13Å
2270	S	35.1	Very low	35.9	Very low	105.5 Å²	105.5	139.3 Å²	139.3	74%	0.738	75%	0.752	S	S	*	*			trans	-72.8	126.1	173.8	50.1	0	0	0	0	114.4
2271	S	32.2	Very low	35.7	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	76%	0.756	S	S	*	*			trans	11.2	144.4	147.8	53.8	0	0	0	0	116.5
2272	P	37.7	Very low	35.4	Very low	118.75 Å²	118.75	136.2 Å²	136.2	77%	0.771	76%	0.761	S	S	*	*			trans	-119.8	149.3	-175.4	37.1	-27.8	0	0	0	114
2273	T	33.9	Very low	35.3	Very low	120.5 Å²	120.5	134 Å²	134	74%	0.739	76%	0.755	S	S	*	*			trans	175.3	114.5	141.8	-24.6	0	0	0	0	115.7
2274	I	35.2	Very low	35	Very low	145 Å²	145	135.2 Å²	135.2	74%	0.744	76%	0.762	S	S	*	*			trans	58.5	117.1	138.8	-64	174.9	0	0	0	119.3
2275	T	34.2	Very low	35	Very low	117.25 Å²	117.25	133.3 Å²	133.3	72%	0.719	76%	0.756	S	S	*	*				81.1	138	127.7	42.3	0	0	0	0	120.7
2276	T	35.3	Very low	34.9	Very low	114.25 Å²	114.25	133.2 Å²	133.2	70%	0.701	76%	0.758	S	S	*	*				80.8	123.2	128.2	45.8	0	0	0	0	119.8
2277	N	33.3	Very low	35	Very low	143.25 Å²	143.25	132.9 Å²	132.9	77%	0.766	75%	0.745	S	S	*	*			trans	54.2	130.6	141.5	-53.8	9.4	0	0	0	118.8
2278	D	33.6	Very low	35	Very low	144 Å²	144	131.3 Å²	131.3	77%	0.77	74%	0.744	S	S	*	*				-166.3	164.4	70.3	-98.8	-24.9	0	0	0	116.3
2279	Q	33	Very low	35.6	Very low	166.5 Å²	166.5	129.7 Å²	129.7	78%	0.778	74%	0.74	S	S	*	*			trans	-83.1	141.9	179	-58.7	175.8	26.4	0	0	117.3
2280	T	32.2	Very low	36	Very low	139.5 Å²	139.5	126.5 Å²	126.5	86%	0.856	73%	0.727	S	S	*	*			trans	90.1	88.8	150	54.1	0	0	0	0	118.3
2281	S	33.6	Very low	36.5	Very low	120.25 Å²	120.25	128.5 Å²	128.5	84%	0.841	73%	0.725	S	S	*	*			trans	-155.1	143.2	147.5	60.3	0	0	0	0	111.1
2282	S	33.5	Very low	37.1	Very low	90.25 Å²	90.25	129.3 Å²	129.3	63%	0.631	72%	0.721	S	S	*	*			trans	-77.1	152.4	175.8	43.5	0	0	0	0	112.2	I2140 L2284	I2140-S2282 WeakPolarHBondContact CD1-OG 3.47Å; I2140-S2282 WeakPolarHBondContact CG2-O 3.38Å; S2282-L2284 PolarHBondContact O-N 3.21Å
2283	P	38.4	Very low	37.6	Very low	103.25 Å²	103.25	130.8 Å²	130.8	67%	0.67	72%	0.715	S	S	*	*			trans	-74.6	133.5	179.7	16.5	-17	0	0	0	113.4	I2140 S2141 Q2142 I2285	I2140-P2283 VanDerWaalsContact CA-C 3.45Å; I2140-P2283 WeakPolarHBondContact CG2-O 3.46Å; S2141-P2283 VanDerWaalsContact O-CD 3.24Å; S2141-P2283 WeakPolarHBondContact O-CD 3.33Å; Q2142-P2283 HydrophobicContact CB-CB 4.2Å; Q2142-P2283 HydrophobicContact CB-CG 3.8Å; Q2142-P2283 VanDerWaalsContact CD-CG 3.44Å; Q2142-P2283 HydrophobicContact CG-CB 3.8Å; Q2142-P2283 HydrophobicContact CG-CG 3.76Å; P2283-I2285 PolarHBondContact O-N 2.93Å
2284	L	34.5	Very low	37.8	Very low	146.75 Å²	146.75	131.6 Å²	131.6	77%	0.768	71%	0.706	S	S	*	*			trans	-86.8	125.8	171.8	-119.2	76.1	0	0	0	111.2	S2141 S2282 S2286	S2141-L2284 VanDerWaalsContact CB-C 3.47Å; S2141-L2284 VanDerWaalsContact CB-O 3.27Å; S2141-L2284 WeakPolarHBondContact CB-O 2.97Å; S2141-L2284 PolarHBondContact OG-N 3.07Å; S2141-L2284 VanDerWaalsContact OG-N 3.09Å; S2141-L2284 PolarHBondContact OG-O 2.91Å; S2282-L2284 PolarHBondContact O-N 3.21Å; L2284-S2286 PolarHBondContact O-N 3.28Å; L2284-S2286 VanDerWaalsContact O-N 3.15Å
2285	I	35.8	Very low	38.1	Very low	139.5 Å²	139.5	129.2 Å²	129.2	72%	0.715	70%	0.702	S	S	*	*			trans	-71.5	108.4	175.8	-62	173	0	0	0	109.1	I2140 P2283 F2287	I2140-I2285 VanDerWaalsContact O-CG1 3.26Å; I2140-I2285 WeakPolarHBondContact O-CG1 3.48Å; P2283-I2285 PolarHBondContact O-N 2.93Å; I2285-F2287 HydrophobicContact CB-CE1 4.2Å; I2285-F2287 HydrophobicContact CB-CZ 4.33Å; I2285-F2287 HydrophobicContact CG2-CD1 4.08Å; I2285-F2287 HydrophobicContact CG2-CE1 3.71Å; I2285-F2287 HydrophobicContact CG2-CZ 4.33Å; I2285-F2287 WeakPolarHBondContact O-CE2 3.25Å; I2285-F2287 PolarHBondContact O-N 2.84Å
2286	S	35.1	Very low	38.4	Very low	101.75 Å²	101.75	127.5 Å²	127.5	71%	0.712	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-82.4	125.4	168.6	72	0	0	0	0	110.3	L2284 D2288	L2284-S2286 PolarHBondContact O-N 3.28Å; L2284-S2286 VanDerWaalsContact O-N 3.15Å; S2286-D2288 PolarHBondContact O-N 2.92Å
2287	F	40.1	Very low	38.6	Very low	133 Å²	133	125.7 Å²	125.7	58%	0.583	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-101.8	122.6	171.8	30.8	-89.1	0	0	0	109.8	C2261 L2263 I2285 I2289	C2261-F2287 VanDerWaalsContact SG-CZ 3.55Å; L2263-F2287 HydrophobicContact CB-CZ 4.38Å; I2285-F2287 HydrophobicContact CB-CE1 4.2Å; I2285-F2287 HydrophobicContact CB-CZ 4.33Å; I2285-F2287 HydrophobicContact CG2-CD1 4.08Å; I2285-F2287 HydrophobicContact CG2-CE1 3.71Å; I2285-F2287 HydrophobicContact CG2-CZ 4.33Å; I2285-F2287 WeakPolarHBondContact O-CE2 3.25Å; I2285-F2287 PolarHBondContact O-N 2.84Å; F2287-I2289 HydrophobicContact CD2-CD1 4.4Å; F2287-I2289 HydrophobicContact CD2-CG1 4.17Å; F2287-I2289 HydrophobicContact CE2-CD1 4.27Å; F2287-I2289 HydrophobicContact CE2-CG1 4.3Å; F2287-I2289 PolarHBondContact O-N 3.2Å
2288	D	40.1	Very low	38.8	Very low	137.75 Å²	137.75	123.5 Å²	123.5	74%	0.737	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-84.2	128.6	173.6	-110.3	-31.4	0	0	0	110.5	S2286 H2290	S2286-D2288 PolarHBondContact O-N 2.92Å; D2288-H2290 PolarHBondContact O-N 2.84Å; D2288-H2290 IonicContact OD2-CE1 3.37Å
2289	I	47	Very low	39	Very low	127 Å²	127	120.7 Å²	120.7	65%	0.651	67%	0.671	S	S	*	*			trans	-99.9	95.6	178.8	-57.5	179	0	0	0	108.5	C2261 F2287 E2291	C2261-I2289 HydrophobicContact CB-CD1 4.48Å; F2287-I2289 HydrophobicContact CD2-CD1 4.4Å; F2287-I2289 HydrophobicContact CD2-CG1 4.17Å; F2287-I2289 HydrophobicContact CE2-CD1 4.27Å; F2287-I2289 HydrophobicContact CE2-CG1 4.3Å; F2287-I2289 PolarHBondContact O-N 3.2Å; I2289-E2291 PolarHBondContact O-N 3.05Å
2290	H	42.9	Very low	39.1	Very low	133 Å²	133	117.2 Å²	117.2	62%	0.616	66%	0.661	S	S	*	*			trans	-76.6	98.4	171.7	-75.1	-63.2	0	0	0	111.2	D2288 N2292 F2293	D2288-H2290 PolarHBondContact O-N 2.84Å; D2288-H2290 IonicContact OD2-CE1 3.37Å; H2290-N2292 PolarHBondContact O-N 3.01Å; H2290-F2293 HydrophobicContact CB-CB 4.02Å; H2290-F2293 HydrophobicContact CB-CD2 3.97Å; H2290-F2293 HydrophobicContact CB-CG 4.34Å; H2290-F2293 AromaticContact CD2-CD2 3.99Å; H2290-F2293 WeakPolarHBondContact O-CB 3.43Å; H2290-F2293 PolarHBondContact O-N 3.08Å
2291	E	44.3	Very low	39.1	Very low	148.75 Å²	148.75	115.7 Å²	115.7	70%	0.695	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	140.3	162	-63.9	-166.8	157.5	0	0	109.9	I2289 F2293	I2289-E2291 PolarHBondContact O-N 3.05Å; E2291-F2293 VanDerWaalsContact C-N 3.29Å; E2291-F2293 PolarHBondContact O-N 3.29Å
2292	N	45.6	Very low	39	Very low	124.75 Å²	124.75	116.8 Å²	116.8	67%	0.667	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.9	23.8	-175.9	-47.1	-71	0	0	0	116.1	H2290 Y2294	H2290-N2292 PolarHBondContact O-N 3.01Å; N2292-Y2294 CarbonylContact C-O 3.52Å; N2292-Y2294 WeakPolarHBondContact CA-O 3.42Å; N2292-Y2294 CarbonylContact O-C 3.53Å; N2292-Y2294 PolarHBondContact O-N 3.24Å; N2292-Y2294 VanDerWaalsContact O-N 3.1Å
2293	F	48	Very low	39	Very low	149.5 Å²	149.5	120.4 Å²	120.4	66%	0.656	65%	0.653	S	S	*	*	S	Bend	trans	-54	-29	171	-169	-93.1	0	0	0	113.3	H2290 E2291	H2290-F2293 HydrophobicContact CB-CB 4.02Å; H2290-F2293 HydrophobicContact CB-CD2 3.97Å; H2290-F2293 HydrophobicContact CB-CG 4.34Å; H2290-F2293 AromaticContact CD2-CD2 3.99Å; H2290-F2293 WeakPolarHBondContact O-CB 3.43Å; H2290-F2293 PolarHBondContact O-N 3.08Å; E2291-F2293 VanDerWaalsContact C-N 3.29Å; E2291-F2293 PolarHBondContact O-N 3.29Å
2294	Y	39.1	Very low	38.9	Very low	137.5 Å²	137.5	125 Å²	125	54%	0.539	66%	0.662	S	S	.	*	S	Bend	trans	-104.2	128.3	159.3	-62.1	-77.3	0	0	0	109	N2292	N2292-Y2294 CarbonylContact C-O 3.52Å; N2292-Y2294 WeakPolarHBondContact CA-O 3.42Å; N2292-Y2294 CarbonylContact O-C 3.53Å; N2292-Y2294 PolarHBondContact O-N 3.24Å; N2292-Y2294 VanDerWaalsContact O-N 3.1Å
2295	S	40.6	Very low	38.9	Very low	95.25 Å²	95.25	123.8 Å²	123.8	67%	0.666	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-62.1	132.3	171.8	-6.3	0	0	0	0	110.4
2296	P	40.4	Very low	38.9	Very low	81.5 Å²	81.5	124.7 Å²	124.7	53%	0.529	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-60.2	143	172.5	25.4	-33.3	0	0	0	109.7	S2298	P2296-S2298 VanDerWaalsContact C-N 3.33Å; P2296-S2298 PolarHBondContact O-N 2.92Å; P2296-S2298 VanDerWaalsContact O-N 3.15Å
2297	P	38.7	Very low	39	Very low	76 Å²	76	130 Å²	130	49%	0.494	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-63.2	108.6	-173.3	24.1	-33.3	0	0	0	110.9	S2299 T2300 V2319	P2297-S2299 PolarHBondContact O-N 2.98Å; P2297-T2300 HydrophobicContact CG-CG2 3.99Å; P2297-T2300 WeakPolarHBondContact O-CB 3.25Å; P2297-T2300 VanDerWaalsContact O-CG2 3.31Å; P2297-T2300 WeakPolarHBondContact O-CG2 3.4Å; P2297-T2300 PolarHBondContact O-N 3.12Å; P2297-T2300 PolarHBondContact O-OG1 3.17Å; P2297-V2319 HydrophobicContact CB-CG2 4.26Å
2298	S	37.5	Very low	38.9	Very low	96.75 Å²	96.75	126.2 Å²	126.2	68%	0.677	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	35.6	-171.3	28	0	0	0	0	113.5	P2296 T2300 K2320	P2296-S2298 VanDerWaalsContact C-N 3.33Å; P2296-S2298 PolarHBondContact O-N 2.92Å; P2296-S2298 VanDerWaalsContact O-N 3.15Å; S2298-T2300 PolarHBondContact O-N 3.28Å; S2298-K2320 PolarHBondContact O-NZ 2.82Å; S2298-K2320 PolarHBondContact OG-NZ 2.96Å
2299	S	38.5	Very low	38.9	Very low	86 Å²	86	123.5 Å²	123.5	60%	0.601	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	11.6	176.6	59.9	0	0	0	0	113.3	P2297 T2301	P2297-S2299 PolarHBondContact O-N 2.98Å; S2299-T2301 VanDerWaalsContact C-N 3.28Å; S2299-T2301 PolarHBondContact O-N 3.42Å
2300	T	35.6	Very low	38.6	Very low	94 Å²	94	121.9 Å²	121.9	58%	0.577	62%	0.621	S	S	*	*			trans	-94	13.7	179	53.3	0	0	0	0	114	P2297 S2298 R2310	P2297-T2300 HydrophobicContact CG-CG2 3.99Å; P2297-T2300 WeakPolarHBondContact O-CB 3.25Å; P2297-T2300 VanDerWaalsContact O-CG2 3.31Å; P2297-T2300 WeakPolarHBondContact O-CG2 3.4Å; P2297-T2300 PolarHBondContact O-N 3.12Å; P2297-T2300 PolarHBondContact O-OG1 3.17Å; S2298-T2300 PolarHBondContact O-N 3.28Å; T2300-R2310 PolarHBondContact O-NH1 3.25Å; T2300-R2310 PolarHBondContact O-NH2 2.97Å
2301	T	32.6	Very low	38.6	Very low	106.5 Å²	106.5	121.7 Å²	121.7	65%	0.653	62%	0.615	S	S	*	*	S	Bend	trans	-103.5	117.9	175.9	42.1	0	0	0	0	113.1	S2299 F2303	S2299-T2301 VanDerWaalsContact C-N 3.28Å; S2299-T2301 PolarHBondContact O-N 3.42Å; T2301-F2303 VanDerWaalsContact C-N 3.34Å; T2301-F2303 PolarHBondContact O-N 3.28Å
2302	N	30.5	Very low	38.6	Very low	144.5 Å²	144.5	118.2 Å²	118.2	77%	0.773	60%	0.601	S	S	*	*	S	Bend	trans	14	78.6	169.4	-63.2	-33.1	0	0	0	117.6	K2304 R2310	N2302-K2304 PolarHBondContact O-N 2.86Å; N2302-R2310 PolarHBondContact O-NH2 3.37Å
2303	F	34.6	Very low	38.7	Very low	165 Å²	165	118.7 Å²	118.7	72%	0.724	59%	0.593	S	S	*	*			trans	-123.9	114.5	163.9	-73.8	-72.9	0	0	0	113.6	D2114 T2301 N2305 Y2306 R2310	D2114-F2303 WeakPolarHBondContact OD1-CZ 2.85Å; T2301-F2303 VanDerWaalsContact C-N 3.34Å; T2301-F2303 PolarHBondContact O-N 3.28Å; F2303-N2305 VanDerWaalsContact C-N 3.33Å; F2303-N2305 PolarHBondContact O-N 3.27Å; F2303-N2305 VanDerWaalsContact O-N 3.13Å; F2303-Y2306 WeakPolarHBondContact O-CD2 3.3Å; F2303-Y2306 VanDerWaalsContact O-CE2 3.25Å; F2303-Y2306 WeakPolarHBondContact O-CE2 3.36Å; F2303-R2310 PolarHBondContact O-NH2 3Å
2304	K	36	Very low	38.9	Very low	200.25 Å²	200.25	114.1 Å²	114.1	87%	0.871	58%	0.575	S	S	*	*			trans	-75.8	-4.8	177.2	-80.6	177.7	176.6	173.4	0	113.3	N2302 Y2306	N2302-K2304 PolarHBondContact O-N 2.86Å; K2304-Y2306 PolarHBondContact O-N 3.01Å; K2304-Y2306 VanDerWaalsContact O-N 3.11Å
2305	N	34.1	Very low	39.7	Very low	122.5 Å²	122.5	109.7 Å²	109.7	66%	0.655	56%	0.559	S	S	*	*			trans	-87.5	64.1	-174.2	-64.9	-10.9	0	0	0	113.8	F2243 F2303 R2307 A2308	F2243-N2305 HydrophobicContact CE1-CB 3.87Å; F2243-N2305 WeakPolarHBondContact CE1-ND2 3.3Å; F2243-N2305 HydrophobicContact CE2-CB 3.96Å; F2243-N2305 HydrophobicContact CZ-CB 3.41Å; F2243-N2305 VanDerWaalsContact CZ-CB 3.41Å; F2243-N2305 VanDerWaalsContact CZ-CG 3.41Å; F2303-N2305 VanDerWaalsContact C-N 3.33Å; F2303-N2305 PolarHBondContact O-N 3.27Å; F2303-N2305 VanDerWaalsContact O-N 3.13Å; N2305-R2307 PolarHBondContact O-N 3.48Å; N2305-A2308 HydrophobicContact CB-CB 3.72Å; N2305-A2308 WeakPolarHBondContact O-CB 2.98Å; N2305-A2308 PolarHBondContact O-N 2.77Å
2306	Y	36.5	Very low	40.4	Very low	157 Å²	157	109.3 Å²	109.3	62%	0.616	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	48.2	169	-98.2	-87.8	0	0	0	112.9	V2118 F2303 K2304 A2308 R2310	V2118-Y2306 PolarHBondContact O-OH 3.37Å; F2303-Y2306 WeakPolarHBondContact O-CD2 3.3Å; F2303-Y2306 VanDerWaalsContact O-CE2 3.25Å; F2303-Y2306 WeakPolarHBondContact O-CE2 3.36Å; K2304-Y2306 PolarHBondContact O-N 3.01Å; K2304-Y2306 VanDerWaalsContact O-N 3.11Å; Y2306-A2308 PolarHBondContact O-N 3.23Å; Y2306-R2310 WeakPolarHBondContact O-CD 3.39Å; Y2306-R2310 WeakPolarHBondContact O-CG 3.29Å; Y2306-R2310 PolarHBondContact O-NE 3.01Å
2307	R	36.4	Very low	41.3	Very low	213.25 Å²	213.25	106.6 Å²	106.6	81%	0.805	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-15.4	-179.8	-90.2	-173.7	175.7	171.7	-0.8	114.3	L2239 S2240 D2241 N2305	L2239-R2307 CarbonylContact C-O 3.58Å; L2239-R2307 VanDerWaalsContact CD2-O 3.25Å; L2239-R2307 WeakPolarHBondContact CD2-O 3.35Å; L2239-R2307 CarbonylContact O-C 3.5Å; S2240-R2307 WeakPolarHBondContact CA-O 3.3Å; S2240-R2307 WeakPolarHBondContact CB-O 3.29Å; S2240-R2307 PolarHBondContact N-O 2.95Å; S2240-R2307 VanDerWaalsContact N-O 3.16Å; S2240-R2307 PolarHBondContact OG-O 3.06Å; D2241-R2307 VanDerWaalsContact OD2-C 3.24Å; D2241-R2307 WeakPolarHBondContact OD2-CB 3.44Å; N2305-R2307 PolarHBondContact O-N 3.48Å
2308	A	37.5	Very low	42.2	Very low	52.5 Å²	52.5	104.7 Å²	104.7	43%	0.434	52%	0.517	S	S	.	.			trans	-86.8	-38.1	-160.7	0	0	0	0	0	115.3	L2239 S2240 D2241 F2243 N2305 Y2306 R2310 W2311	L2239-A2308 CarbonylContact O-C 3.51Å; L2239-A2308 PolarHBondContact O-N 3.18Å; S2240-A2308 VanDerWaalsContact C-C 3.41Å; S2240-A2308 CarbonylContact C-O 3.56Å; D2241-A2308 VanDerWaalsContact N-C 3.33Å; D2241-A2308 PolarHBondContact N-O 2.93Å; D2241-A2308 WeakPolarHBondContact OD2-CA 3.06Å; F2243-A2308 HydrophobicContact CE2-CB 3.67Å; F2243-A2308 HydrophobicContact CZ-CB 3.55Å; N2305-A2308 HydrophobicContact CB-CB 3.72Å; N2305-A2308 WeakPolarHBondContact O-CB 2.98Å; N2305-A2308 PolarHBondContact O-N 2.77Å; Y2306-A2308 PolarHBondContact O-N 3.23Å; A2308-R2310 VanDerWaalsContact C-N 3.3Å; A2308-R2310 PolarHBondContact O-N 2.91Å; A2308-W2311 PolarHBondContact O-N 2.78Å
2309	N	40.7	Very low	43	Very low	81.25 Å²	81.25	103.9 Å²	103.9	43%	0.434	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	29	-173.4	-69.3	-1.6	0	0	0	113.3	D2116 L2239 S2240 W2311 N2312 R2313	D2116-N2309 PolarHBondContact O-ND2 2.84Å; L2239-N2309 CarbonylContact C-O 3.53Å; L2239-N2309 CarbonylContact O-C 3.58Å; L2239-N2309 PolarHBondContact O-N 3.42Å; L2239-N2309 VanDerWaalsContact O-O 3.11Å; S2240-N2309 CarbonylContact O-C 3.47Å; S2240-N2309 WeakPolarHBondContact O-CA 3.49Å; N2309-W2311 VanDerWaalsContact C-N 3.31Å; N2309-W2311 PolarHBondContact O-N 3.26Å; N2309-N2312 HydrophobicContact CB-CB 3.76Å; N2309-N2312 VanDerWaalsContact CB-CG 3.47Å; N2309-N2312 PolarHBondContact O-N 3.21Å; N2309-R2313 WeakPolarHBondContact O-CG 3.1Å; N2309-R2313 PolarHBondContact O-N 3.13Å
2310	R	40.9	Very low	43.7	Very low	94 Å²	94	107.5 Å²	107.5	36%	0.355	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-47.8	-175.7	-113.8	165.4	-175.1	-173.1	-5.1	111.7	D2116 S2238 L2239 S2240 T2300 N2302 F2303 Y2306 A2308 N2312 R2313 D2587	D2116-R2310 PolarHBondContact O-NE 3.36Å; D2116-R2310 PolarHBondContact O-NH2 2.99Å; S2238-R2310 WeakPolarHBondContact CA-O 3.47Å; S2238-R2310 VanDerWaalsContact CB-O 3.23Å; S2238-R2310 WeakPolarHBondContact CB-O 3.46Å; S2238-R2310 PolarHBondContact O-NE 3.36Å; S2238-R2310 WeakPolarHBondContact OG-CG 3.31Å; S2238-R2310 PolarHBondContact OG-NE 3.32Å; L2239-R2310 VanDerWaalsContact N-CA 3.3Å; L2239-R2310 PolarHBondContact N-O 2.99Å; S2240-R2310 VanDerWaalsContact N-CD 3.29Å; S2240-R2310 WeakPolarHBondContact O-CA 3.41Å; S2240-R2310 WeakPolarHBondContact O-CB 3.07Å; S2240-R2310 PolarHBondContact O-N 3.4Å; S2240-R2310 PolarHBondContact OG-NH1 3.14Å; T2300-R2310 PolarHBondContact O-NH1 3.25Å; T2300-R2310 PolarHBondContact O-NH2 2.97Å; N2302-R2310 PolarHBondContact O-NH2 3.37Å; F2303-R2310 PolarHBondContact O-NH2 3Å; Y2306-R2310 WeakPolarHBondContact O-CD 3.39Å; Y2306-R2310 WeakPolarHBondContact O-CG 3.29Å; Y2306-R2310 PolarHBondContact O-NE 3.01Å; A2308-R2310 VanDerWaalsContact C-N 3.3Å; A2308-R2310 PolarHBondContact O-N 2.91Å; R2310-N2312 VanDerWaalsContact C-N 3.29Å; R2310-N2312 PolarHBondContact O-N 2.89Å; R2310-N2312 VanDerWaalsContact O-N 3.1Å; R2310-R2313 WeakPolarHBondContact O-CB 3.01Å; R2310-R2313 PolarHBondContact O-N 3.24Å; R2310-D2587 VanDerWaalsContact CZ-CB 3.49Å; R2310-D2587 IonicContact CZ-OD2 3.6Å; R2310-D2587 VanDerWaalsContact CZ-OD2 3.28Å; R2310-D2587 IonicContact NH1-OD1 3.04Å; R2310-D2587 IonicContact NH1-OD2 3.14Å; R2310-D2587 PolarHBondContact NH1-OD2 3.33Å; R2310-D2587 IonicContact NH2-OD2 2.72Å; R2310-D2587 PolarHBondContact NH2-OD2 3.5Å
2311	W	42	Very low	44.7	Very low	128.75 Å²	128.75	106.7 Å²	106.7	49%	0.488	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-50.4	164.6	-61.5	99.4	0	0	0	113.2	A2308 N2309 R2313 L2314 F2315 D2333	A2308-W2311 PolarHBondContact O-N 2.78Å; N2309-W2311 VanDerWaalsContact C-N 3.31Å; N2309-W2311 PolarHBondContact O-N 3.26Å; W2311-R2313 VanDerWaalsContact C-N 3.32Å; W2311-R2313 PolarHBondContact O-N 3.29Å; W2311-R2313 VanDerWaalsContact O-N 3.13Å; W2311-L2314 HydrophobicContact CD2-CD1 4.41Å; W2311-L2314 HydrophobicContact CE3-CD1 4Å; W2311-L2314 HydrophobicContact CZ3-CD1 4.34Å; W2311-L2314 WeakPolarHBondContact O-CA 3.39Å; W2311-L2314 VanDerWaalsContact O-CB 3.29Å; W2311-L2314 WeakPolarHBondContact O-CB 3.31Å; W2311-L2314 WeakPolarHBondContact O-CG 3.39Å; W2311-L2314 PolarHBondContact O-N 3.3Å; W2311-F2315 HydrophobicContact CB-CD2 4.47Å; W2311-F2315 HydrophobicContact CB-CE2 3.89Å; W2311-F2315 VanDerWaalsContact O-CD2 3.25Å; W2311-F2315 WeakPolarHBondContact O-CD2 3.38Å; W2311-F2315 PolarHBondContact O-N 3.14Å; W2311-D2333 VanDerWaalsContact CH2-OD1 3.29Å; W2311-D2333 WeakPolarHBondContact CH2-OD1 3.28Å; W2311-D2333 WeakPolarHBondContact CZ2-OD1 3.16Å
2312	N	44.8	Very low	46.2	Very low	75.25 Å²	75.25	104.2 Å²	104.2	40%	0.402	48%	0.483	S	S	.	.	H	α-helix	trans	-60.1	-28.8	179.2	-69.9	7.3	0	0	0	113.1	N2309 R2310 L2314 F2315 I2316	N2309-N2312 HydrophobicContact CB-CB 3.76Å; N2309-N2312 VanDerWaalsContact CB-CG 3.47Å; N2309-N2312 PolarHBondContact O-N 3.21Å; R2310-N2312 VanDerWaalsContact C-N 3.29Å; R2310-N2312 PolarHBondContact O-N 2.89Å; R2310-N2312 VanDerWaalsContact O-N 3.1Å; N2312-L2314 VanDerWaalsContact C-N 3.32Å; N2312-L2314 PolarHBondContact O-N 3.2Å; N2312-L2314 VanDerWaalsContact O-N 3.16Å; N2312-F2315 PolarHBondContact O-N 3.05Å; N2312-I2316 HydrophobicContact CB-CD1 4.35Å; N2312-I2316 WeakPolarHBondContact O-CB 3.34Å; N2312-I2316 WeakPolarHBondContact O-CD1 3.31Å; N2312-I2316 VanDerWaalsContact O-CG1 3.24Å; N2312-I2316 WeakPolarHBondContact O-CG1 3.41Å; N2312-I2316 PolarHBondContact O-N 3.03Å
2313	R	47.9	Very low	48.1	Very low	136.25 Å²	136.25	98.2 Å²	98.2	51%	0.514	45%	0.452	S	S	.	.	H	α-helix	trans	-70.9	-13.5	173.2	-75.2	-166.1	-178.4	-171.1	2.7	114.5	S2113 D2114 D2116 N2309 R2310 W2311 F2315 I2316	S2113-R2313 PolarHBondContact O-NH2 2.88Å; D2114-R2313 IonicContact OD1-CZ 3.7Å; D2114-R2313 IonicContact OD1-NH1 3.07Å; D2114-R2313 IonicContact OD1-NH2 2.65Å; D2114-R2313 PolarHBondContact OD1-NH2 2.61Å; D2116-R2313 IonicContact OD2-CZ 3.59Å; D2116-R2313 IonicContact OD2-NH1 3.2Å; D2116-R2313 PolarHBondContact OD2-NH1 2.78Å; D2116-R2313 IonicContact OD2-NH2 3.89Å; D2116-R2313 PolarHBondContact OD2-NH2 2.94Å; N2309-R2313 WeakPolarHBondContact O-CG 3.1Å; N2309-R2313 PolarHBondContact O-N 3.13Å; R2310-R2313 WeakPolarHBondContact O-CB 3.01Å; R2310-R2313 PolarHBondContact O-N 3.24Å; W2311-R2313 VanDerWaalsContact C-N 3.32Å; W2311-R2313 PolarHBondContact O-N 3.29Å; W2311-R2313 VanDerWaalsContact O-N 3.13Å; R2313-F2315 PolarHBondContact O-N 3.11Å; R2313-I2316 HydrophobicContact CB-CD1 3.73Å; R2313-I2316 HydrophobicContact CB-CG1 4.35Å; R2313-I2316 HydrophobicContact CG-CD1 3.79Å; R2313-I2316 WeakPolarHBondContact O-CG1 3.26Å; R2313-I2316 PolarHBondContact O-N 2.93Å
2314	L	51.2	Low	49.9	Very low	52 Å²	52	96.1 Å²	96.1	27%	0.272	44%	0.439	S	S	.	.	H	α-helix	trans	-79.5	-24.7	172.5	-64.4	171.6	0	0	0	112.3	W2311 N2312 I2316 Y2507 R2509	W2311-L2314 HydrophobicContact CD2-CD1 4.41Å; W2311-L2314 HydrophobicContact CE3-CD1 4Å; W2311-L2314 HydrophobicContact CZ3-CD1 4.34Å; W2311-L2314 WeakPolarHBondContact O-CA 3.39Å; W2311-L2314 VanDerWaalsContact O-CB 3.29Å; W2311-L2314 WeakPolarHBondContact O-CB 3.31Å; W2311-L2314 WeakPolarHBondContact O-CG 3.39Å; W2311-L2314 PolarHBondContact O-N 3.3Å; N2312-L2314 VanDerWaalsContact C-N 3.32Å; N2312-L2314 PolarHBondContact O-N 3.2Å; N2312-L2314 VanDerWaalsContact O-N 3.16Å; L2314-I2316 VanDerWaalsContact C-N 3.32Å; L2314-Y2507 HydrophobicContact CB-CE1 4.02Å; L2314-Y2507 HydrophobicContact CB-CE2 3.99Å; L2314-Y2507 HydrophobicContact CD1-CD1 4.01Å; L2314-Y2507 HydrophobicContact CD1-CD2 4.12Å; L2314-Y2507 HydrophobicContact CD1-CE1 4.03Å; L2314-Y2507 HydrophobicContact CD1-CE2 4.21Å; L2314-Y2507 HydrophobicContact CD1-CG 4.04Å; L2314-Y2507 HydrophobicContact CD2-CD1 4.44Å; L2314-Y2507 HydrophobicContact CD2-CE1 3.92Å; L2314-Y2507 HydrophobicContact CD2-CE2 4.42Å; L2314-Y2507 HydrophobicContact CG-CE1 4.2Å; L2314-Y2507 WeakPolarHBondContact O-CE2 3.45Å; L2314-Y2507 PolarHBondContact O-OH 2.92Å; L2314-R2509 PolarHBondContact O-NH1 2.77Å
2315	F	56.7	Low	51.9	Low	45.75 Å²	45.75	86.7 Å²	86.7	20%	0.201	40%	0.399	C	S	.	.	H	α-helix	trans	-94.3	-10.9	-179.6	-57.8	-65.1	0	0	0	113.6	R2007 W2311 N2312 R2313 D2317 T2330 Y2332 Y2507 R2509	R2007-F2315 HydrophobicContact CG-CD1 4.25Å; W2311-F2315 HydrophobicContact CB-CD2 4.47Å; W2311-F2315 HydrophobicContact CB-CE2 3.89Å; W2311-F2315 VanDerWaalsContact O-CD2 3.25Å; W2311-F2315 WeakPolarHBondContact O-CD2 3.38Å; W2311-F2315 PolarHBondContact O-N 3.14Å; N2312-F2315 PolarHBondContact O-N 3.05Å; R2313-F2315 PolarHBondContact O-N 3.11Å; F2315-D2317 PolarHBondContact O-N 2.72Å; F2315-D2317 VanDerWaalsContact O-N 3.13Å; F2315-T2330 HydrophobicContact CD1-CG2 4.02Å; F2315-T2330 HydrophobicContact CE1-CG2 3.93Å; F2315-Y2332 AromaticContact CE1-CD1 3.81Å; F2315-Y2332 HydrophobicContact CE1-CD1 3.81Å; F2315-Y2332 HydrophobicContact CE1-CD2 4.31Å; F2315-Y2332 HydrophobicContact CE1-CE1 4.01Å; F2315-Y2332 AromaticContact CE1-CG 3.88Å; F2315-Y2332 HydrophobicContact CE1-CG 3.88Å; F2315-Y2332 AromaticContact CZ-CD1 3.9Å; F2315-Y2332 HydrophobicContact CZ-CD1 3.97Å; F2315-Y2332 AromaticContact CZ-CD2 3.84Å; F2315-Y2332 HydrophobicContact CZ-CD2 3.84Å; F2315-Y2332 AromaticContact CZ-CE1 3.98Å; F2315-Y2332 HydrophobicContact CZ-CE1 3.98Å; F2315-Y2332 AromaticContact CZ-CE2 3.91Å; F2315-Y2332 HydrophobicContact CZ-CE2 4.19Å; F2315-Y2332 AromaticContact CZ-CG 3.72Å; F2315-Y2332 HydrophobicContact CZ-CG 3.72Å; F2315-Y2332 AromaticContact CZ-CZ 4Å; F2315-Y2507 HydrophobicContact CE1-CE2 4.28Å; F2315-R2509 VanDerWaalsContact O-CZ 3.29Å; F2315-R2509 PolarHBondContact O-NH1 3.27Å; F2315-R2509 VanDerWaalsContact O-NH1 3.16Å; F2315-R2509 PolarHBondContact O-NH2 2.91Å
2316	I	56.4	Low	54.1	Low	86 Å²	86	83.4 Å²	83.4	44%	0.441	38%	0.381	S	S	.	.	S	Bend	trans	-80.3	133.6	178.5	-63.1	169.3	0	0	0	109.8	N2312 R2313 L2314 V2319 R2509	N2312-I2316 HydrophobicContact CB-CD1 4.35Å; N2312-I2316 WeakPolarHBondContact O-CB 3.34Å; N2312-I2316 WeakPolarHBondContact O-CD1 3.31Å; N2312-I2316 VanDerWaalsContact O-CG1 3.24Å; N2312-I2316 WeakPolarHBondContact O-CG1 3.41Å; N2312-I2316 PolarHBondContact O-N 3.03Å; R2313-I2316 HydrophobicContact CB-CD1 3.73Å; R2313-I2316 HydrophobicContact CB-CG1 4.35Å; R2313-I2316 HydrophobicContact CG-CD1 3.79Å; R2313-I2316 WeakPolarHBondContact O-CG1 3.26Å; R2313-I2316 PolarHBondContact O-N 2.93Å; L2314-I2316 VanDerWaalsContact C-N 3.32Å; I2316-V2319 HydrophobicContact CG2-CG2 4.48Å; I2316-R2509 PolarHBondContact O-NH1 3.1Å; I2316-R2509 PolarHBondContact O-NH2 3.23Å
2317	D	59.2	Low	56.4	Low	25.75 Å²	25.75	77.8 Å²	77.8	14%	0.138	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-59.7	151	167.1	-66.9	-48.3	0	0	0	110.8	R2003 F2315 V2319 Y2322 P2325 R2509 R2545	R2003-D2317 IonicContact CZ-OD1 2.7Å; R2003-D2317 IonicContact CZ-OD2 3.57Å; R2003-D2317 VanDerWaalsContact CZ-OD2 3.23Å; R2003-D2317 IonicContact NH1-OD1 3.52Å; R2003-D2317 IonicContact NH1-OD2 2.77Å; R2003-D2317 PolarHBondContact NH1-OD2 2.83Å; R2003-D2317 IonicContact NH2-OD1 2.85Å; R2003-D2317 PolarHBondContact NH2-OD1 2.92Å; R2003-D2317 IonicContact NH2-OD2 3.41Å; R2003-D2317 PolarHBondContact NH2-OD2 3.22Å; F2315-D2317 PolarHBondContact O-N 2.72Å; F2315-D2317 VanDerWaalsContact O-N 3.13Å; D2317-V2319 PolarHBondContact O-N 3.08Å; D2317-Y2322 HydrophobicContact CB-CD2 4.47Å; D2317-Y2322 HydrophobicContact CB-CG 4.46Å; D2317-P2325 VanDerWaalsContact OD1-CG 3.3Å; D2317-P2325 WeakPolarHBondContact OD1-CG 3.3Å; D2317-R2509 IonicContact OD1-CZ 2.67Å; D2317-R2509 IonicContact OD1-NE 2.78Å; D2317-R2509 IonicContact OD1-NH2 3.19Å; D2317-R2509 PolarHBondContact OD1-NH2 2.85Å; D2317-R2509 IonicContact OD2-CZ 2.82Å; D2317-R2509 VanDerWaalsContact OD2-CZ 3.25Å; D2317-R2509 IonicContact OD2-NE 3.88Å; D2317-R2509 PolarHBondContact OD2-NE 2.92Å; D2317-R2509 IonicContact OD2-NH2 2.75Å; D2317-R2509 PolarHBondContact OD2-NH2 3.05Å; D2317-R2545 WeakPolarHBondContact OD1-CD 3.47Å; D2317-R2545 IonicContact OD1-CZ 3.28Å; D2317-R2545 IonicContact OD1-NH1 2.86Å; D2317-R2545 PolarHBondContact OD1-NH1 2.87Å
2318	P	56.1	Low	58.7	Low	34.5 Å²	34.5	67.7 Å²	67.7	22%	0.224	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-62.3	133.7	179.9	27.3	-35.7	0	0	0	111.3	K2320 I2321 Y2322 F2513	P2318-K2320 PolarHBondContact O-N 2.93Å; P2318-I2321 HydrophobicContact CG-CD1 4.47Å; P2318-I2321 PolarHBondContact O-N 3.44Å; P2318-Y2322 HydrophobicContact CB-CD2 3.89Å; P2318-Y2322 HydrophobicContact CB-CG 3.9Å; P2318-Y2322 HydrophobicContact CG-CD2 3.87Å; P2318-Y2322 HydrophobicContact CG-CE2 4.09Å; P2318-Y2322 HydrophobicContact CG-CG 4.27Å; P2318-Y2322 PolarHBondContact O-N 3.05Å; P2318-F2513 HydrophobicContact CG-CE1 3.79Å; P2318-F2513 HydrophobicContact CG-CZ 3.92Å
2319	V	54.5	Low	61.2	Low	80.75 Å²	80.75	66.9 Å²	66.9	49%	0.489	31%	0.311	S	S	.	.			trans	-49.9	119.4	-176.3	-171.6	0	0	0	0	112.2	D2114 P2297 I2316 D2317 I2321 Y2322	D2114-V2319 VanDerWaalsContact CG-CG2 3.44Å; D2114-V2319 WeakPolarHBondContact OD1-CG2 3.32Å; D2114-V2319 VanDerWaalsContact OD2-CG2 3.23Å; D2114-V2319 WeakPolarHBondContact OD2-CG2 3.42Å; P2297-V2319 HydrophobicContact CB-CG2 4.26Å; I2316-V2319 HydrophobicContact CG2-CG2 4.48Å; D2317-V2319 PolarHBondContact O-N 3.08Å; V2319-I2321 HydrophobicContact CB-CD1 4.25Å; V2319-I2321 HydrophobicContact CB-CG1 4.45Å; V2319-I2321 HydrophobicContact CG1-CD1 4.13Å; V2319-I2321 HydrophobicContact CG1-CG1 4.04Å; V2319-I2321 WeakPolarHBondContact O-CA 3.39Å; V2319-I2321 PolarHBondContact O-N 3.01Å; V2319-Y2322 CarbonylContact C-O 3.54Å; V2319-Y2322 VanDerWaalsContact CA-O 3.32Å; V2319-Y2322 WeakPolarHBondContact CA-O 3.48Å; V2319-Y2322 PolarHBondContact O-N 2.76Å
2320	K	54.1	Low	63.6	Low	162.5 Å²	162.5	63.3 Å²	63.3	71%	0.707	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35.6	-17.1	177.6	-67.8	179.9	178.3	173.6	0	117.1	D2106 D2110 S2298 P2318 Y2322	D2106-K2320 VanDerWaalsContact CG-CE 3.5Å; D2106-K2320 WeakPolarHBondContact OD2-CE 3.33Å; D2110-K2320 IonicContact OD2-NZ 3.88Å; D2110-K2320 PolarHBondContact OD2-NZ 3.42Å; S2298-K2320 PolarHBondContact O-NZ 2.82Å; S2298-K2320 PolarHBondContact OG-NZ 2.96Å; P2318-K2320 PolarHBondContact O-N 2.93Å; K2320-Y2322 VanDerWaalsContact C-N 3.33Å
2321	I	56.1	Low	65.9	Low	76.75 Å²	76.75	60.9 Å²	60.9	39%	0.394	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-39	176	-61.4	169.8	0	0	0	111	L2107 Q2109 D2110 P2318 V2319 K2518	L2107-I2321 HydrophobicContact CD2-CG2 3.21Å; Q2109-I2321 HydrophobicContact CB-CD1 3.9Å; Q2109-I2321 HydrophobicContact CG-CD1 3.7Å; D2110-I2321 HydrophobicContact CB-CD1 4.03Å; D2110-I2321 WeakPolarHBondContact OD2-CD1 3.2Å; P2318-I2321 HydrophobicContact CG-CD1 4.47Å; P2318-I2321 PolarHBondContact O-N 3.44Å; V2319-I2321 HydrophobicContact CB-CD1 4.25Å; V2319-I2321 HydrophobicContact CB-CG1 4.45Å; V2319-I2321 HydrophobicContact CG1-CD1 4.13Å; V2319-I2321 HydrophobicContact CG1-CG1 4.04Å; V2319-I2321 WeakPolarHBondContact O-CA 3.39Å; V2319-I2321 PolarHBondContact O-N 3.01Å; I2321-K2518 PolarHBondContact O-NZ 2.89Å; I2321-K2518 VanDerWaalsContact O-NZ 3.08Å
2322	Y	64.3	Low	68.1	Low	53.75 Å²	53.75	57.2 Å²	57.2	21%	0.211	27%	0.273	C	S	.	.	S	Bend	trans	-100.5	149.7	-178.4	-64.3	-88.5	0	0	0	111.5	D2317 P2318 V2319 K2320 R2324 F2513 P2542 V2596	D2317-Y2322 HydrophobicContact CB-CD2 4.47Å; D2317-Y2322 HydrophobicContact CB-CG 4.46Å; P2318-Y2322 HydrophobicContact CB-CD2 3.89Å; P2318-Y2322 HydrophobicContact CB-CG 3.9Å; P2318-Y2322 HydrophobicContact CG-CD2 3.87Å; P2318-Y2322 HydrophobicContact CG-CE2 4.09Å; P2318-Y2322 HydrophobicContact CG-CG 4.27Å; P2318-Y2322 PolarHBondContact O-N 3.05Å; V2319-Y2322 CarbonylContact C-O 3.54Å; V2319-Y2322 VanDerWaalsContact CA-O 3.32Å; V2319-Y2322 WeakPolarHBondContact CA-O 3.48Å; V2319-Y2322 PolarHBondContact O-N 2.76Å; K2320-Y2322 VanDerWaalsContact C-N 3.33Å; Y2322-R2324 PolarHBondContact O-N 2.69Å; Y2322-F2513 AromaticContact CD1-CE2 3.83Å; Y2322-F2513 HydrophobicContact CD1-CE2 3.83Å; Y2322-F2513 AromaticContact CD1-CZ 3.75Å; Y2322-F2513 HydrophobicContact CD1-CZ 3.75Å; Y2322-F2513 HydrophobicContact CG-CZ 4.07Å; Y2322-P2542 HydrophobicContact CD1-CG 3.64Å; Y2322-P2542 HydrophobicContact CE1-CG 3.8Å; Y2322-V2596 HydrophobicContact CE1-CG1 4.36Å
2323	P	69.5	Low	70.1	Confident	19.25 Å²	19.25	55.9 Å²	55.9	13%	0.125	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-64.3	155.2	171.2	29	-35.9	0	0	0	111.6	F2513 P2514 D2541	P2323-F2513 HydrophobicContact CB-CD1 4.28Å; P2323-F2513 HydrophobicContact CG-CB 3.99Å; P2323-F2513 HydrophobicContact CG-CD1 4.02Å; P2323-F2513 HydrophobicContact CG-CG 4.16Å; P2323-F2513 VanDerWaalsContact O-CD1 3.26Å; P2323-F2513 WeakPolarHBondContact O-CD1 3.41Å; P2323-F2513 VanDerWaalsContact O-CE1 3.23Å; P2323-F2513 WeakPolarHBondContact O-CE1 3.36Å; P2323-P2514 HydrophobicContact CB-CG 4.16Å; P2323-D2541 HydrophobicContact CG-CB 4.06Å
2324	R	72.3	Confident	72.1	Confident	119.75 Å²	119.75	50.4 Å²	50.4	45%	0.452	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-63.3	136.8	168.7	-87.2	-171.3	-158.4	165	-1.6	109.4	E1960 Y2322 P2514	E1960-R2324 IonicContact OE1-CZ 2.78Å; E1960-R2324 IonicContact OE1-NE 2.65Å; E1960-R2324 PolarHBondContact OE1-NE 2.81Å; E1960-R2324 IonicContact OE1-NH1 2.8Å; E1960-R2324 PolarHBondContact OE1-NH1 2.9Å; E1960-R2324 IonicContact OE1-NH2 3.17Å; E1960-R2324 PolarHBondContact OE1-NH2 2.9Å; E1960-R2324 IonicContact OE2-CZ 3.62Å; E1960-R2324 IonicContact OE2-NH1 3.06Å; E1960-R2324 PolarHBondContact OE2-NH1 3.02Å; E1960-R2324 IonicContact OE2-NH2 3.3Å; E1960-R2324 PolarHBondContact OE2-NH2 3.03Å; Y2322-R2324 PolarHBondContact O-N 2.69Å; R2324-P2514 WeakPolarHBondContact O-CD 3.44Å
2325	P	78.1	Confident	74.1	Confident	2.5 Å²	2.5	48.9 Å²	48.9	2%	0.016	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-69.9	145.6	177.4	29.2	-34	0	0	0	111.2	R2003 D2317 A2328 A2511 K2512 F2513	R2003-P2325 WeakPolarHBondContact CD-O 3.42Å; R2003-P2325 VanDerWaalsContact CG-O 3.23Å; R2003-P2325 WeakPolarHBondContact CG-O 3.41Å; R2003-P2325 PolarHBondContact NE-O 2.86Å; D2317-P2325 VanDerWaalsContact OD1-CG 3.3Å; D2317-P2325 WeakPolarHBondContact OD1-CG 3.3Å; P2325-A2328 HydrophobicContact CG-CB 4.33Å; P2325-A2511 HydrophobicContact CB-CB 4.18Å; P2325-K2512 CarbonylContact C-O 3.57Å; P2325-K2512 VanDerWaalsContact CA-O 3.26Å; P2325-K2512 WeakPolarHBondContact CA-O 3.47Å; P2325-K2512 WeakPolarHBondContact CB-O 3.46Å; P2325-F2513 HydrophobicContact CB-CD1 4.04Å; P2325-F2513 HydrophobicContact CB-CE1 3.91Å; P2325-F2513 HydrophobicContact CB-CZ 4.47Å; P2325-F2513 HydrophobicContact CG-CE1 4.46Å
2326	L	80.4	Confident	75.8	Confident	53 Å²	53	48 Å²	48	28%	0.277	24%	0.24	S	C	.	.	S	Bend	trans	-80.6	-35.2	171	-68.5	176.4	0	0	0	111.4	T2001 R2003 F2004 K2512 P2514	T2001-L2326 HydrophobicContact CG2-CD2 3.96Å; R2003-L2326 CarbonylContact C-O 3.54Å; R2003-L2326 VanDerWaalsContact CA-O 3.31Å; R2003-L2326 WeakPolarHBondContact CA-O 3.25Å; R2003-L2326 WeakPolarHBondContact CG-O 3.49Å; F2004-L2326 PolarHBondContact N-O 3.04Å; L2326-K2512 PolarHBondContact N-O 2.98Å; L2326-P2514 HydrophobicContact CD1-CB 4.04Å; L2326-P2514 HydrophobicContact CG-CB 4.33Å; L2326-P2514 HydrophobicContact CG-CG 4.49Å
2327	L	84.8	Confident	77.5	Confident	41.25 Å²	41.25	45 Å²	45	22%	0.216	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.6	174.5	174.1	63.9	0	0	0	108.8	F2004 I2329 A2511 K2512	F2004-L2327 HydrophobicContact CB-CD1 4.12Å; F2004-L2327 HydrophobicContact CD1-CD1 3.72Å; F2004-L2327 HydrophobicContact CG-CD1 4.41Å; F2004-L2327 CarbonylContact O-C 3.53Å; F2004-L2327 WeakPolarHBondContact O-CA 3.26Å; L2327-I2329 HydrophobicContact CD1-CD1 4.34Å; L2327-I2329 HydrophobicContact CD1-CG1 4.11Å; L2327-I2329 HydrophobicContact CD2-CD1 4.43Å; L2327-I2329 HydrophobicContact CG-CG1 4.4Å; L2327-A2511 CarbonylContact O-C 3.55Å; L2327-A2511 VanDerWaalsContact O-CA 3.27Å; L2327-A2511 WeakPolarHBondContact O-CA 3.37Å; L2327-K2512 HydrophobicContact CB-CB 4.27Å; L2327-K2512 HydrophobicContact CB-CG 4.45Å; L2327-K2512 HydrophobicContact CD2-CD 4.17Å; L2327-K2512 HydrophobicContact CD2-CG 4.43Å; L2327-K2512 PolarHBondContact N-O 3.44Å; L2327-K2512 PolarHBondContact O-N 3.26Å
2328	A	85.8	Confident	79.1	Confident	0.25 Å²	0.25	47.7 Å²	47.7	0%	0.002	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.8	167.5	0	0	0	0	0	110.3	F2004 D2005 M2006 P2325 Q2510	F2004-A2328 PolarHBondContact O-N 2.91Å; D2005-A2328 CarbonylContact C-O 3.42Å; D2005-A2328 WeakPolarHBondContact CA-O 3.31Å; D2005-A2328 HydrophobicContact CB-CB 4.25Å; D2005-A2328 VanDerWaalsContact OD1-CB 3.25Å; D2005-A2328 WeakPolarHBondContact OD1-CB 3.31Å; M2006-A2328 PolarHBondContact N-O 3.2Å; P2325-A2328 HydrophobicContact CG-CB 4.33Å; A2328-Q2510 CarbonylContact C-O 3.52Å; A2328-Q2510 VanDerWaalsContact CA-O 3.28Å; A2328-Q2510 WeakPolarHBondContact CA-O 3.42Å
2329	I	90.1	Very high	80.8	Confident	35 Å²	35	46.3 Å²	46.3	18%	0.179	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.8	173.9	-60.6	176.2	0	0	0	107	M2006 L2327 R2509 Q2510	M2006-I2329 HydrophobicContact CB-CG1 4.48Å; M2006-I2329 HydrophobicContact CE-CB 4.48Å; M2006-I2329 HydrophobicContact CE-CD1 4.32Å; M2006-I2329 HydrophobicContact CE-CG1 4.19Å; M2006-I2329 HydrophobicContact CE-CG2 3.71Å; M2006-I2329 CarbonylContact O-C 3.57Å; M2006-I2329 WeakPolarHBondContact O-CA 3.34Å; L2327-I2329 HydrophobicContact CD1-CD1 4.34Å; L2327-I2329 HydrophobicContact CD1-CG1 4.11Å; L2327-I2329 HydrophobicContact CD2-CD1 4.43Å; L2327-I2329 HydrophobicContact CG-CG1 4.4Å; I2329-R2509 CarbonylContact O-C 3.56Å; I2329-R2509 WeakPolarHBondContact O-CA 3.38Å; I2329-Q2510 HydrophobicContact CB-CB 4.38Å; I2329-Q2510 PolarHBondContact N-O 3.22Å; I2329-Q2510 PolarHBondContact O-N 2.91Å
2330	T	89.4	Confident	82.5	Confident	5.5 Å²	5.5	43.7 Å²	43.7	3%	0.034	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.2	-175.5	-26.7	0	0	0	0	111.3	M2006 R2007 I2008 F2315 Y2507 F2508 R2509	M2006-T2330 PolarHBondContact O-N 2.95Å; R2007-T2330 CarbonylContact C-O 3.49Å; R2007-T2330 VanDerWaalsContact CA-O 3.27Å; R2007-T2330 WeakPolarHBondContact CA-O 3.34Å; R2007-T2330 WeakPolarHBondContact CG-OG1 3.39Å; I2008-T2330 PolarHBondContact N-O 3.22Å; F2315-T2330 HydrophobicContact CD1-CG2 4.02Å; F2315-T2330 HydrophobicContact CE1-CG2 3.93Å; T2330-Y2507 HydrophobicContact CG2-CD2 4.34Å; T2330-Y2507 HydrophobicContact CG2-CE2 3.6Å; T2330-F2508 CarbonylContact C-O 3.44Å; T2330-F2508 VanDerWaalsContact CA-O 3.26Å; T2330-F2508 WeakPolarHBondContact CA-O 3.4Å; T2330-R2509 HydrophobicContact CG2-CB 4.2Å; T2330-R2509 HydrophobicContact CG2-CG 4.17Å; T2330-R2509 WeakPolarHBondContact OG1-CG 3.48Å; T2330-R2509 PolarHBondContact OG1-NH1 3.49Å
2331	L	91	Very high	84.2	Confident	45.25 Å²	45.25	37.3 Å²	37.3	24%	0.237	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.5	162.8	-46.3	-178	0	0	0	107.7	I2008 V2334 L2506 Y2507 F2508	I2008-L2331 HydrophobicContact CB-CD2 3.84Å; I2008-L2331 HydrophobicContact CD1-CD2 3.99Å; I2008-L2331 HydrophobicContact CG1-CD2 4.32Å; I2008-L2331 HydrophobicContact CG2-CD2 4.28Å; I2008-L2331 CarbonylContact O-C 3.53Å; I2008-L2331 WeakPolarHBondContact O-CA 3.3Å; L2331-V2334 HydrophobicContact CB-CB 4.34Å; L2331-V2334 HydrophobicContact CB-CG2 3.97Å; L2331-L2506 HydrophobicContact CB-CD2 4.44Å; L2331-L2506 HydrophobicContact CD1-CD2 4.27Å; L2331-Y2507 CarbonylContact O-C 3.57Å; L2331-Y2507 VanDerWaalsContact O-CA 3.3Å; L2331-Y2507 WeakPolarHBondContact O-CA 3.18Å; L2331-Y2507 VanDerWaalsContact O-CD2 3.23Å; L2331-Y2507 WeakPolarHBondContact O-CD2 3.45Å; L2331-F2508 HydrophobicContact CB-CB 4.03Å; L2331-F2508 HydrophobicContact CD1-CB 4.08Å; L2331-F2508 HydrophobicContact CD1-CD1 4.35Å; L2331-F2508 HydrophobicContact CD1-CG 4.33Å; L2331-F2508 HydrophobicContact CG-CB 4.06Å; L2331-F2508 HydrophobicContact CG-CD1 4.11Å; L2331-F2508 HydrophobicContact CG-CG 4.4Å; L2331-F2508 PolarHBondContact N-O 3.03Å; L2331-F2508 PolarHBondContact O-N 3.17Å; L2331-F2508 VanDerWaalsContact O-O 3.1Å
2332	Y	87.4	Confident	85.6	Confident	50 Å²	50	34.1 Å²	34.1	20%	0.196	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.8	-179.4	127.2	-80.8	0	0	0	111.4	E1954 K1956 R2007 I2008 T2009 F2315 V2334 Y2507	E1954-Y2332 PolarHBondContact OE2-OH 2.83Å; K1956-Y2332 WeakPolarHBondContact CE-OH 3.34Å; R2007-Y2332 HydrophobicContact CB-CD1 4.34Å; R2007-Y2332 HydrophobicContact CB-CE1 3.86Å; I2008-Y2332 WeakPolarHBondContact O-CD1 3.41Å; I2008-Y2332 PolarHBondContact O-N 2.96Å; T2009-Y2332 WeakPolarHBondContact CA-O 3.3Å; T2009-Y2332 VanDerWaalsContact CB-CE2 3.5Å; T2009-Y2332 WeakPolarHBondContact CB-O 3.37Å; T2009-Y2332 HydrophobicContact CG2-CD1 3.89Å; T2009-Y2332 HydrophobicContact CG2-CD2 4.02Å; T2009-Y2332 HydrophobicContact CG2-CE1 3.75Å; T2009-Y2332 HydrophobicContact CG2-CE2 3.43Å; T2009-Y2332 HydrophobicContact CG2-CG 4.12Å; T2009-Y2332 VanDerWaalsContact CG2-CZ 3.46Å; T2009-Y2332 WeakPolarHBondContact CG2-O 3.35Å; T2009-Y2332 WeakPolarHBondContact CG2-OH 3.41Å; T2009-Y2332 PolarHBondContact OG1-O 2.87Å; T2009-Y2332 VanDerWaalsContact OG1-O 3.08Å; F2315-Y2332 AromaticContact CE1-CD1 3.81Å; F2315-Y2332 HydrophobicContact CE1-CD1 3.81Å; F2315-Y2332 HydrophobicContact CE1-CD2 4.31Å; F2315-Y2332 HydrophobicContact CE1-CE1 4.01Å; F2315-Y2332 AromaticContact CE1-CG 3.88Å; F2315-Y2332 HydrophobicContact CE1-CG 3.88Å; F2315-Y2332 AromaticContact CZ-CD1 3.9Å; F2315-Y2332 HydrophobicContact CZ-CD1 3.97Å; F2315-Y2332 AromaticContact CZ-CD2 3.84Å; F2315-Y2332 HydrophobicContact CZ-CD2 3.84Å; F2315-Y2332 AromaticContact CZ-CE1 3.98Å; F2315-Y2332 HydrophobicContact CZ-CE1 3.98Å; F2315-Y2332 AromaticContact CZ-CE2 3.91Å; F2315-Y2332 HydrophobicContact CZ-CE2 4.19Å; F2315-Y2332 AromaticContact CZ-CG 3.72Å; F2315-Y2332 HydrophobicContact CZ-CG 3.72Å; F2315-Y2332 AromaticContact CZ-CZ 4Å; Y2332-V2334 WeakPolarHBondContact O-CG2 3.19Å; Y2332-V2334 PolarHBondContact O-N 3.11Å; Y2332-V2334 VanDerWaalsContact O-N 3.09Å; Y2332-Y2507 AromaticContact CD2-CD2 3.78Å; Y2332-Y2507 HydrophobicContact CD2-CD2 3.78Å; Y2332-Y2507 HydrophobicContact CD2-CE2 4.09Å; Y2332-Y2507 HydrophobicContact CE2-CD2 4.45Å
2333	D	87.3	Confident	86.6	Confident	47.75 Å²	47.75	32.6 Å²	32.6	26%	0.255	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54	13.5	-175.6	-118.1	-2.3	0	0	0	115.9	W2311 S2335 K2505 L2506	W2311-D2333 VanDerWaalsContact CH2-OD1 3.29Å; W2311-D2333 WeakPolarHBondContact CH2-OD1 3.28Å; W2311-D2333 WeakPolarHBondContact CZ2-OD1 3.16Å; D2333-S2335 PolarHBondContact O-N 3.23Å; D2333-S2335 PolarHBondContact O-OG 3.3Å; D2333-K2505 VanDerWaalsContact CG-NZ 3.35Å; D2333-K2505 VanDerWaalsContact OD1-CB 3.27Å; D2333-K2505 WeakPolarHBondContact OD1-CB 3.42Å; D2333-K2505 VanDerWaalsContact OD1-CD 3.28Å; D2333-K2505 WeakPolarHBondContact OD1-CD 3.37Å; D2333-K2505 WeakPolarHBondContact OD1-CE 3.26Å; D2333-K2505 WeakPolarHBondContact OD1-CG 3.26Å; D2333-K2505 IonicContact OD1-NZ 2.73Å; D2333-K2505 PolarHBondContact OD1-NZ 2.99Å; D2333-K2505 IonicContact OD2-NZ 3.51Å; D2333-K2505 PolarHBondContact OD2-NZ 3.11Å; D2333-L2506 PolarHBondContact N-O 3.32Å
2334	V	89.7	Confident	87.2	Confident	21.25 Å²	21.25	34.6 Å²	34.6	13%	0.129	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	128.6	-175.5	169.2	0	0	0	0	111.2	I2008 N2010 N2011 L2331 Y2332 K2505 L2506	I2008-V2334 HydrophobicContact CG2-CG2 4.25Å; N2010-V2334 HydrophobicContact CB-CG1 4.43Å; N2010-V2334 HydrophobicContact CB-CG2 4.46Å; N2010-V2334 WeakPolarHBondContact OD1-CA 3.39Å; N2010-V2334 WeakPolarHBondContact OD1-CG1 3.34Å; N2011-V2334 HydrophobicContact CB-CB 4.45Å; N2011-V2334 HydrophobicContact CB-CG1 4.14Å; N2011-V2334 HydrophobicContact CB-CG2 4.1Å; L2331-V2334 HydrophobicContact CB-CB 4.34Å; L2331-V2334 HydrophobicContact CB-CG2 3.97Å; Y2332-V2334 WeakPolarHBondContact O-CG2 3.19Å; Y2332-V2334 PolarHBondContact O-N 3.11Å; Y2332-V2334 VanDerWaalsContact O-N 3.09Å; V2334-K2505 CarbonylContact O-C 3.56Å; V2334-K2505 PolarHBondContact O-N 2.84Å; V2334-L2506 HydrophobicContact CB-CB 4.31Å; V2334-L2506 HydrophobicContact CG1-CD2 4.41Å; V2334-L2506 PolarHBondContact N-O 2.96Å; V2334-L2506 VanDerWaalsContact N-O 3.1Å; V2334-L2506 WeakPolarHBondContact O-CA 3.41Å; V2334-L2506 VanDerWaalsContact O-CB 3.28Å; V2334-L2506 WeakPolarHBondContact O-CB 3.42Å; V2334-L2506 PolarHBondContact O-N 3.17Å
2335	S	92.2	Very high	87.5	Confident	19.5 Å²	19.5	29.5 Å²	29.5	14%	0.136	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143	179.1	-58.4	0	0	0	0	111.3	N2010 N2011 L2012 L2013 D2333 I2503 K2505	N2010-S2335 PolarHBondContact ND2-O 2.79Å; N2010-S2335 PolarHBondContact O-N 3.29Å; N2010-S2335 PolarHBondContact OD1-N 2.9Å; N2010-S2335 PolarHBondContact OD1-O 3.02Å; N2011-S2335 PolarHBondContact O-N 2.75Å; L2012-S2335 WeakPolarHBondContact CA-O 3.29Å; L2013-S2335 PolarHBondContact N-O 3.04Å; D2333-S2335 PolarHBondContact O-N 3.23Å; D2333-S2335 PolarHBondContact O-OG 3.3Å; S2335-I2503 CarbonylContact C-O 3.54Å; S2335-I2503 VanDerWaalsContact CA-O 3.31Å; S2335-I2503 WeakPolarHBondContact CA-O 3.39Å; S2335-K2505 PolarHBondContact OG-N 3.15Å
2336	C	92.4	Very high	87.4	Confident	28.25 Å²	28.25	30.6 Å²	30.6	19%	0.191	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.6	-175	-170.1	0	0	0	0	111.4	L2013 N2502 I2503	L2013-C2336 HydrophobicContact CB-CB 4.48Å; L2013-C2336 CarbonylContact O-C 3.56Å; L2013-C2336 VanDerWaalsContact O-CA 3.26Å; L2013-C2336 WeakPolarHBondContact O-CA 3.41Å; L2013-C2336 PolarHBondContact O-SG 2.79Å; C2336-N2502 CarbonylContact O-C 3.56Å; C2336-N2502 WeakPolarHBondContact O-CA 3.36Å; C2336-I2503 HydrophobicContact CB-CB 4.31Å; C2336-I2503 PolarHBondContact N-O 2.87Å; C2336-I2503 PolarHBondContact O-N 2.88Å
2337	E	92.6	Very high	86.8	Confident	22 Å²	22	31 Å²	31	10%	0.103	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	111.1	170.5	172.9	176.9	-160.2	0	0	108.2	L2012 L2013 K2014 I2015 N2339 S2500 F2501 N2502 R2558	L2012-E2337 HydrophobicContact CD1-CB 4.09Å; L2013-E2337 PolarHBondContact O-N 2.9Å; K2014-E2337 CarbonylContact C-O 3.55Å; K2014-E2337 VanDerWaalsContact CA-O 3.29Å; K2014-E2337 WeakPolarHBondContact CA-O 3.38Å; K2014-E2337 VanDerWaalsContact CE-OE2 3.25Å; K2014-E2337 WeakPolarHBondContact CE-OE2 3.43Å; K2014-E2337 HydrophobicContact CG-CB 4.31Å; K2014-E2337 IonicContact NZ-OE2 3.28Å; K2014-E2337 PolarHBondContact NZ-OE2 3.43Å; I2015-E2337 PolarHBondContact N-O 3.21Å; E2337-N2339 PolarHBondContact OE1-ND2 2.82Å; E2337-N2339 PolarHBondContact OE1-OD1 3.08Å; E2337-S2500 WeakPolarHBondContact CG-OG 3.36Å; E2337-S2500 PolarHBondContact OE1-OG 3.06Å; E2337-F2501 WeakPolarHBondContact CA-O 3.12Å; E2337-N2502 WeakPolarHBondContact CA-OD1 3.28Å; E2337-N2502 VanDerWaalsContact CB-OD1 3.25Å; E2337-N2502 WeakPolarHBondContact CB-OD1 3.08Å; E2337-N2502 VanDerWaalsContact CG-OD1 3.24Å; E2337-N2502 WeakPolarHBondContact CG-OD1 3.31Å; E2337-R2558 IonicContact OE1-CZ 3.05Å; E2337-R2558 VanDerWaalsContact OE1-CZ 3.29Å; E2337-R2558 IonicContact OE1-NH1 2.95Å; E2337-R2558 PolarHBondContact OE1-NH1 3.03Å; E2337-R2558 IonicContact OE1-NH2 3.25Å; E2337-R2558 PolarHBondContact OE1-NH2 3.28Å
2338	W	92.7	Very high	85.4	Confident	82.25 Å²	82.25	34 Å²	34	31%	0.312	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.2	174.6	178.5	25.4	0	0	0	110.3	I2015 T2017 L2022 I2340 S2500 F2501	I2015-W2338 HydrophobicContact CB-CB 4.34Å; I2015-W2338 HydrophobicContact CB-CG 4.29Å; I2015-W2338 HydrophobicContact CG2-CG 4.34Å; I2015-W2338 CarbonylContact O-C 3.49Å; I2015-W2338 WeakPolarHBondContact O-CA 3.39Å; T2017-W2338 HydrophobicContact CG2-CZ2 4.12Å; T2017-W2338 PolarHBondContact OG1-NE1 3.08Å; L2022-W2338 HydrophobicContact CD1-CH2 4.36Å; L2022-W2338 HydrophobicContact CD1-CZ2 3.72Å; L2022-W2338 HydrophobicContact CD2-CH2 4.35Å; L2022-W2338 HydrophobicContact CD2-CZ2 4.08Å; L2022-W2338 HydrophobicContact CG-CZ2 4.46Å; W2338-I2340 HydrophobicContact CD2-CD1 4.34Å; W2338-I2340 HydrophobicContact CD2-CG1 4.24Å; W2338-I2340 HydrophobicContact CG-CG1 4.46Å; W2338-I2340 HydrophobicContact CH2-CD1 4.02Å; W2338-I2340 HydrophobicContact CH2-CG1 4.46Å; W2338-I2340 HydrophobicContact CZ2-CD1 3.8Å; W2338-I2340 HydrophobicContact CZ2-CG1 4.01Å; W2338-I2340 HydrophobicContact CZ3-CD1 4.35Å; W2338-S2500 CarbonylContact O-C 3.6Å; W2338-S2500 WeakPolarHBondContact O-CA 3.37Å; W2338-F2501 HydrophobicContact CB-CB 4.33Å; W2338-F2501 HydrophobicContact CB-CD1 4.31Å; W2338-F2501 HydrophobicContact CE3-CD1 4.3Å; W2338-F2501 HydrophobicContact CE3-CD2 4.44Å; W2338-F2501 PolarHBondContact N-O 2.94Å; W2338-F2501 PolarHBondContact O-N 3.03Å
2339	N	91.8	Very high	83.5	Confident	6.5 Å²	6.5	38.9 Å²	38.9	4%	0.035	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.7	177.4	-59.5	-53.9	0	0	0	110.2	I2015 N2016 T2017 E2337 Y2341 I2499 S2500 R2558	I2015-N2339 PolarHBondContact O-N 2.89Å; N2016-N2339 WeakPolarHBondContact CA-O 3.48Å; N2016-N2339 WeakPolarHBondContact OD1-CB 3.34Å; N2016-N2339 PolarHBondContact OD1-ND2 3.12Å; T2017-N2339 PolarHBondContact N-O 2.89Å; T2017-N2339 PolarHBondContact OG1-O 2.74Å; E2337-N2339 PolarHBondContact OE1-ND2 2.82Å; E2337-N2339 PolarHBondContact OE1-OD1 3.08Å; N2339-Y2341 HydrophobicContact CB-CD2 4.24Å; N2339-Y2341 HydrophobicContact CB-CE2 3.53Å; N2339-Y2341 VanDerWaalsContact CB-CE2 3.49Å; N2339-I2499 WeakPolarHBondContact CA-O 3.38Å; N2339-S2500 WeakPolarHBondContact OD1-CB 3.38Å; N2339-S2500 PolarHBondContact OD1-OG 2.84Å; N2339-R2558 PolarHBondContact OD1-NH1 2.88Å
2340	I	91.1	Very high	81	Confident	26 Å²	26	42 Å²	42	13%	0.133	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.8	171.3	-57.4	-175.4	0	0	0	107.8	T2017 W2338 C2498 I2499 F2501 Y2703	T2017-I2340 HydrophobicContact CG2-CB 4.45Å; T2017-I2340 HydrophobicContact CG2-CG1 4.02Å; T2017-I2340 WeakPolarHBondContact O-CA 3.35Å; T2017-I2340 WeakPolarHBondContact OG1-CA 3.23Å; W2338-I2340 HydrophobicContact CD2-CD1 4.34Å; W2338-I2340 HydrophobicContact CD2-CG1 4.24Å; W2338-I2340 HydrophobicContact CG-CG1 4.46Å; W2338-I2340 HydrophobicContact CH2-CD1 4.02Å; W2338-I2340 HydrophobicContact CH2-CG1 4.46Å; W2338-I2340 HydrophobicContact CZ2-CD1 3.8Å; W2338-I2340 HydrophobicContact CZ2-CG1 4.01Å; W2338-I2340 HydrophobicContact CZ3-CD1 4.35Å; I2340-C2498 CarbonylContact O-C 3.56Å; I2340-C2498 VanDerWaalsContact O-CA 3.25Å; I2340-C2498 WeakPolarHBondContact O-CA 3.34Å; I2340-C2498 PolarHBondContact O-SG 3Å; I2340-I2499 PolarHBondContact N-O 3.04Å; I2340-I2499 PolarHBondContact O-N 2.98Å; I2340-F2501 HydrophobicContact CD1-CD2 4.17Å; I2340-F2501 HydrophobicContact CD1-CE2 3.59Å; I2340-F2501 HydrophobicContact CD1-CZ 4.33Å; I2340-F2501 HydrophobicContact CG1-CD2 4.31Å; I2340-F2501 HydrophobicContact CG1-CE2 4.08Å; I2340-Y2703 HydrophobicContact CG2-CD1 4.13Å; I2340-Y2703 HydrophobicContact CG2-CD2 3.74Å; I2340-Y2703 HydrophobicContact CG2-CE1 3.81Å; I2340-Y2703 HydrophobicContact CG2-CE2 3.38Å; I2340-Y2703 VanDerWaalsContact CG2-CE2 3.41Å; I2340-Y2703 HydrophobicContact CG2-CG 4.11Å; I2340-Y2703 VanDerWaalsContact CG2-CZ 3.49Å
2341	Y	90.2	Very high	78.3	Confident	26.5 Å²	26.5	46.5 Å²	46.5	10%	0.104	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	149.1	-178.4	-70.5	-88.1	0	0	0	112.1	N2016 T2017 N2339 R2493 L2495 C2498 Y2703	N2016-Y2341 HydrophobicContact CB-CE2 4.21Å; T2017-Y2341 PolarHBondContact O-N 3.23Å; T2017-Y2341 PolarHBondContact OG1-N 2.83Å; N2339-Y2341 HydrophobicContact CB-CD2 4.24Å; N2339-Y2341 HydrophobicContact CB-CE2 3.53Å; N2339-Y2341 VanDerWaalsContact CB-CE2 3.49Å; Y2341-R2493 HydrophobicContact CD1-CG 4.25Å; Y2341-R2493 HydrophobicContact CG-CG 4.14Å; Y2341-L2495 HydrophobicContact CD1-CD2 4.34Å; Y2341-L2495 HydrophobicContact CE1-CD2 3.96Å; Y2341-C2498 HydrophobicContact CD1-CB 3.9Å; Y2341-C2498 HydrophobicContact CE1-CB 3.94Å; Y2341-Y2703 WeakPolarHBondContact O-CE2 3.41Å
2342	G	85.4	Confident	75.5	Confident	10 Å²	10	50.5 Å²	50.5	10%	0.103	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	164.1	169.1	0	0	0	0	0	113.3	C2018 Q2494 N2497	C2018-G2342 PolarHBondContact SG-O 3.14Å; C2018-G2342 VanDerWaalsContact SG-O 3.41Å; G2342-Q2494 WeakPolarHBondContact O-CB 3.35Å; G2342-Q2494 PolarHBondContact O-N 3.19Å; G2342-N2497 PolarHBondContact N-O 3.01Å
2343	G	84.3	Confident	72.7	Confident	22.75 Å²	22.75	53.4 Å²	53.4	24%	0.235	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.5	-161	-177.5	0	0	0	0	0	113.7	C2018 D2345 G2492	C2018-G2343 WeakPolarHBondContact CB-O 3.42Å; G2343-D2345 VanDerWaalsContact C-N 3.33Å; G2343-D2345 PolarHBondContact O-N 2.93Å; G2343-G2492 WeakPolarHBondContact CA-O 3.38Å
2344	N	81.2	Confident	70	Confident	60.75 Å²	60.75	57.2 Å²	57.2	33%	0.325	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.1	-172.7	-64.2	-32.3	0	0	0	111.1	L2346 L2347 G2492 R2493	N2344-L2346 PolarHBondContact O-N 3.35Å; N2344-L2347 HydrophobicContact CB-CB 4.08Å; N2344-L2347 HydrophobicContact CB-CD1 4.36Å; N2344-L2347 PolarHBondContact O-N 3.17Å; N2344-G2492 PolarHBondContact N-O 3.2Å; N2344-G2492 CarbonylContact O-C 3.53Å; N2344-G2492 WeakPolarHBondContact O-CA 3.28Å; N2344-G2492 PolarHBondContact O-N 3.38Å; N2344-R2493 PolarHBondContact O-N 3.06Å
2345	D	80.1	Confident	67.2	Low	13 Å²	13	61.6 Å²	61.6	7%	0.07	37%	0.374	C	S	.	.	S	Bend	trans	-81.9	-30.4	179.6	-74.8	-46.5	0	0	0	113.4	V1945 C2018 A2019 D2020 I2021 G2343 G2490 G2492 R2493	V1945-D2345 HydrophobicContact CG1-CB 4.01Å; V1945-D2345 HydrophobicContact CG2-CB 4.24Å; C2018-D2345 HydrophobicContact CB-CB 4.32Å; C2018-D2345 VanDerWaalsContact CB-OD2 3.23Å; C2018-D2345 WeakPolarHBondContact CB-OD2 3.41Å; C2018-D2345 PolarHBondContact N-OD2 3.08Å; C2018-D2345 VanDerWaalsContact N-OD2 3.1Å; C2018-D2345 VanDerWaalsContact SG-CG 3.59Å; C2018-D2345 PolarHBondContact SG-OD2 3.26Å; C2018-D2345 VanDerWaalsContact SG-OD2 3.39Å; A2019-D2345 WeakPolarHBondContact CB-O 3.2Å; D2020-D2345 PolarHBondContact OD1-N 2.81Å; D2020-D2345 VanDerWaalsContact OD1-N 3.1Å; D2020-D2345 PolarHBondContact OD2-N 2.99Å; I2021-D2345 HydrophobicContact CD1-CB 3.55Å; I2021-D2345 WeakPolarHBondContact CD1-OD2 3.27Å; I2021-D2345 HydrophobicContact CG1-CB 3.86Å; G2343-D2345 VanDerWaalsContact C-N 3.33Å; G2343-D2345 PolarHBondContact O-N 2.93Å; D2345-G2490 VanDerWaalsContact O-CA 3.28Å; D2345-G2490 WeakPolarHBondContact O-CA 3.24Å; D2345-G2490 VanDerWaalsContact OD1-C 3.23Å; D2345-G2490 VanDerWaalsContact OD1-CA 3.24Å; D2345-G2490 WeakPolarHBondContact OD1-CA 3.15Å; D2345-G2490 PolarHBondContact OD1-N 3.01Å; D2345-G2492 VanDerWaalsContact OD1-CA 3.32Å; D2345-G2492 WeakPolarHBondContact OD1-CA 3Å; D2345-G2492 PolarHBondContact OD1-N 2.99Å; D2345-R2493 VanDerWaalsContact CG-NH2 3.29Å; D2345-R2493 WeakPolarHBondContact OD1-CA 3.25Å; D2345-R2493 IonicContact OD1-CZ 3.46Å; D2345-R2493 VanDerWaalsContact OD1-CZ 3.27Å; D2345-R2493 PolarHBondContact OD1-N 3.46Å; D2345-R2493 IonicContact OD1-NE 2.91Å; D2345-R2493 PolarHBondContact OD1-NE 3.05Å; D2345-R2493 IonicContact OD1-NH2 2.89Å; D2345-R2493 PolarHBondContact OD1-NH2 3.17Å; D2345-R2493 WeakPolarHBondContact OD2-CA 3.37Å; D2345-R2493 WeakPolarHBondContact OD2-CB 3.47Å; D2345-R2493 WeakPolarHBondContact OD2-CG 3.24Å; D2345-R2493 IonicContact OD2-CZ 3.78Å; D2345-R2493 IonicContact OD2-NE 3.15Å; D2345-R2493 PolarHBondContact OD2-NE 2.84Å; D2345-R2493 IonicContact OD2-NH2 3.46Å; D2345-R2493 PolarHBondContact OD2-NH2 3.04Å
2346	L	75.1	Confident	64.3	Low	25.5 Å²	25.5	66.5 Å²	66.5	13%	0.134	41%	0.405	C	S	.	.	S	Bend	trans	-108.8	-21.6	-170	-60.8	174.6	0	0	0	113.6	L1849 V1902 P1904 V1945 A2019 D2020 I2021 L2022 I2024 N2344 P2348 Y2703 N2706 L2710	L1849-L2346 HydrophobicContact CD2-CD1 4.12Å; V1902-L2346 HydrophobicContact CG1-CD1 4.19Å; V1902-L2346 HydrophobicContact CG1-CD2 4.35Å; P1904-L2346 HydrophobicContact CB-CD2 4.42Å; P1904-L2346 HydrophobicContact CG-CD2 4.09Å; V1945-L2346 HydrophobicContact CG2-CD2 4.24Å; A2019-L2346 HydrophobicContact CB-CD2 4.18Å; D2020-L2346 WeakPolarHBondContact OD2-CB 3.34Å; D2020-L2346 PolarHBondContact OD2-N 3.02Å; I2021-L2346 HydrophobicContact CD1-CD1 4.38Å; I2021-L2346 HydrophobicContact CD1-CG 4.4Å; I2021-L2346 HydrophobicContact CG1-CD1 3.97Å; I2021-L2346 HydrophobicContact CG1-CG 4.32Å; L2022-L2346 HydrophobicContact CD1-CD1 4.34Å; L2022-L2346 HydrophobicContact CD1-CD2 3.74Å; I2024-L2346 HydrophobicContact CD1-CD1 3.28Å; N2344-L2346 PolarHBondContact O-N 3.35Å; L2346-P2348 WeakPolarHBondContact O-CD 3.38Å; L2346-Y2703 HydrophobicContact CD1-CD2 4.33Å; L2346-Y2703 HydrophobicContact CD1-CE2 3.87Å; L2346-N2706 HydrophobicContact CB-CB 4.46Å; L2346-N2706 HydrophobicContact CD1-CB 4.3Å; L2346-L2710 HydrophobicContact CD2-CD2 4.3Å
2347	L	67.4	Low	61.4	Low	61.5 Å²	61.5	72.5 Å²	72.5	32%	0.322	44%	0.435	S	S	.	.	S	Bend	trans	-78.5	123	173.6	-78.1	78	0	0	0	109.7	L1834 T1836 D2020 N2344 T2349	L1834-L2347 HydrophobicContact CD1-CD1 4.23Å; L1834-L2347 HydrophobicContact CD2-CD2 4.16Å; T1836-L2347 HydrophobicContact CG2-CD2 3.77Å; D2020-L2347 HydrophobicContact CB-CD1 3.88Å; D2020-L2347 VanDerWaalsContact CB-CD1 3.48Å; D2020-L2347 WeakPolarHBondContact OD2-CD1 3.38Å; D2020-L2347 PolarHBondContact OD2-N 2.88Å; N2344-L2347 HydrophobicContact CB-CB 4.08Å; N2344-L2347 HydrophobicContact CB-CD1 4.36Å; N2344-L2347 PolarHBondContact O-N 3.17Å; L2347-T2349 PolarHBondContact O-N 3.04Å
2348	P	56.8	Low	58.5	Low	104 Å²	104	79.3 Å²	79.3	68%	0.675	47%	0.471	S	S	*	.			trans	-64.2	130.3	174.6	27.1	-33.4	0	0	0	109.8	L2346 S2350	L2346-P2348 WeakPolarHBondContact O-CD 3.38Å; P2348-S2350 VanDerWaalsContact C-N 3.32Å; P2348-S2350 PolarHBondContact O-N 2.9Å; P2348-S2350 VanDerWaalsContact O-N 3.08Å; P2348-S2350 PolarHBondContact O-OG 3.02Å
2349	T	44.7	Very low	55.6	Low	103 Å²	103	78.6 Å²	78.6	63%	0.632	49%	0.489	S	S	*	.			trans	-66.2	89.2	178.3	46.2	0	0	0	0	110.9	L2347 S2351	L2347-T2349 PolarHBondContact O-N 3.04Å; T2349-S2351 VanDerWaalsContact C-N 3.3Å; T2349-S2351 PolarHBondContact O-N 2.98Å; T2349-S2351 VanDerWaalsContact O-N 3.13Å
2350	S	38.6	Very low	52.7	Low	101.25 Å²	101.25	85.6 Å²	85.6	71%	0.708	53%	0.527	S	S	*	.			trans	-74.2	81.3	176.6	55.1	0	0	0	0	110.9	P2348 V2352	P2348-S2350 VanDerWaalsContact C-N 3.32Å; P2348-S2350 PolarHBondContact O-N 2.9Å; P2348-S2350 VanDerWaalsContact O-N 3.08Å; P2348-S2350 PolarHBondContact O-OG 3.02Å; S2350-V2352 PolarHBondContact O-N 3Å; S2350-V2352 VanDerWaalsContact O-N 3.1Å
2351	S	32.2	Very low	50	Low	98.5 Å²	98.5	91.9 Å²	91.9	69%	0.689	56%	0.559	S	S	*	*			trans	-53.2	80.8	178.6	58.7	0	0	0	0	113.3	T2349 T2353	T2349-S2351 VanDerWaalsContact C-N 3.3Å; T2349-S2351 PolarHBondContact O-N 2.98Å; T2349-S2351 VanDerWaalsContact O-N 3.13Å; S2351-T2353 VanDerWaalsContact C-N 3.28Å; S2351-T2353 PolarHBondContact O-N 2.97Å; S2351-T2353 PolarHBondContact O-OG1 3.11Å
2352	V	32.6	Very low	47.2	Very low	129.25 Å²	129.25	96.2 Å²	96.2	78%	0.783	59%	0.59	S	S	*	*			trans	-85.4	70.3	174.7	-172	0	0	0	0	109.6	S2350 T2354	S2350-V2352 PolarHBondContact O-N 3Å; S2350-V2352 VanDerWaalsContact O-N 3.1Å; V2352-T2354 HydrophobicContact CG1-CG2 3.69Å; V2352-T2354 PolarHBondContact O-N 3.27Å
2353	T	29.2	Very low	44.5	Very low	112.25 Å²	112.25	100.5 Å²	100.5	69%	0.689	62%	0.618	S	S	*	*			trans	-81.1	103.3	159	40	0	0	0	0	107.8	S2351 T2355	S2351-T2353 VanDerWaalsContact C-N 3.28Å; S2351-T2353 PolarHBondContact O-N 2.97Å; S2351-T2353 PolarHBondContact O-OG1 3.11Å; T2353-T2355 PolarHBondContact O-N 3.12Å; T2353-T2355 VanDerWaalsContact O-N 3.14Å; T2353-T2355 PolarHBondContact O-OG1 3.22Å
2354	T	30.4	Very low	42.1	Very low	126.25 Å²	126.25	106.3 Å²	106.3	78%	0.775	64%	0.644	S	S	*	*			trans	-61.4	100.2	177.1	41	0	0	0	0	110.9	V2352 P2356	V2352-T2354 HydrophobicContact CG1-CG2 3.69Å; V2352-T2354 PolarHBondContact O-N 3.27Å; T2354-P2356 VanDerWaalsContact O-CD 3.31Å; T2354-P2356 WeakPolarHBondContact O-CD 3.28Å
2355	T	30.4	Very low	39.7	Very low	115 Å²	115	111.6 Å²	111.6	71%	0.706	67%	0.667	S	S	*	*			trans	-99.9	104.3	166.6	40.5	0	0	0	0	108.6	T2353 L2357	T2353-T2355 PolarHBondContact O-N 3.12Å; T2353-T2355 VanDerWaalsContact O-N 3.14Å; T2353-T2355 PolarHBondContact O-OG1 3.22Å; T2355-L2357 PolarHBondContact O-N 3.14Å; T2355-L2357 VanDerWaalsContact O-N 3.12Å
2356	P	30.7	Very low	37.5	Very low	121 Å²	121	118 Å²	118	79%	0.786	70%	0.7	S	S	*	*			trans	-72.4	111.6	176.3	29.7	-33.4	0	0	0	110	T2354 L2358	T2354-P2356 VanDerWaalsContact O-CD 3.31Å; T2354-P2356 WeakPolarHBondContact O-CD 3.28Å; P2356-L2358 VanDerWaalsContact C-N 3.31Å; P2356-L2358 PolarHBondContact O-N 3.12Å
2357	L	32.2	Very low	35.6	Very low	154.75 Å²	154.75	122 Å²	122	81%	0.81	73%	0.73	S	S	*	*			trans	-70.2	98	168.8	-85.9	148.1	0	0	0	112.3	T2355 G2359	T2355-L2357 PolarHBondContact O-N 3.14Å; T2355-L2357 VanDerWaalsContact O-N 3.12Å; L2357-G2359 PolarHBondContact O-N 3.04Å; L2357-G2359 VanDerWaalsContact O-N 3.13Å
2358	L	30.9	Very low	33.9	Very low	165.5 Å²	165.5	125.3 Å²	125.3	87%	0.866	75%	0.752	S	S	*	*			trans	-85.7	115.4	165.6	-156.3	75.3	0	0	0	111.5	P2356	P2356-L2358 VanDerWaalsContact C-N 3.31Å; P2356-L2358 PolarHBondContact O-N 3.12Å
2359	G	32.1	Very low	32.7	Very low	67 Å²	67	125.8 Å²	125.8	69%	0.691	76%	0.756	S	S	*	*			trans	-113.5	108.2	174	0	0	0	0	0	113.7	L2357	L2357-G2359 PolarHBondContact O-N 3.04Å; L2357-G2359 VanDerWaalsContact O-N 3.13Å
2360	N	31.6	Very low	32.3	Very low	154 Å²	154	127 Å²	127	82%	0.824	76%	0.762	S	S	*	*			trans	17.9	124.1	166.9	-60.4	-13.7	0	0	0	117.7
2361	I	33.2	Very low	32.2	Very low	158.5 Å²	158.5	127.3 Å²	127.3	81%	0.813	76%	0.763	S	S	*	*			trans	-128.3	128.7	149.4	-59	168.4	0	0	0	110.5
2362	P	31.2	Very low	32.6	Very low	116 Å²	116	127.9 Å²	127.9	75%	0.753	76%	0.764	S	S	*	*			trans	-112.2	136.9	172	34.5	-25.4	0	0	0	113.6
2363	S	30.1	Very low	32.7	Very low	100.25 Å²	100.25	129.8 Å²	129.8	70%	0.701	76%	0.764	S	S	*	*			trans	-9.6	125.1	154.5	58.4	0	0	0	0	116.6
2364	N	32.7	Very low	33.1	Very low	145.5 Å²	145.5	130.8 Å²	130.8	78%	0.778	77%	0.765	S	S	*	*			trans	-154.8	138.1	141.3	-85.1	-6.2	0	0	0	114.5
2365	E	32.3	Very low	33.3	Very low	171.5 Å²	171.5	132.9 Å²	132.9	80%	0.801	76%	0.763	S	S	*	*			trans	82.3	122.9	144.2	-67.6	-166.4	159.5	0	0	117.9
2366	I	33.6	Very low	33.5	Very low	147.75 Å²	147.75	132.4 Å²	132.4	76%	0.758	77%	0.765	S	S	*	*				86.4	111.9	119.1	-63.4	165.5	0	0	0	113.5
2367	S	34	Very low	34	Very low	109.5 Å²	109.5	131.7 Å²	131.7	77%	0.766	76%	0.76	S	S	*	*				-178.1	156.6	94.8	-56.9	0	0	0	0	111.3
2368	T	31.7	Very low	34.1	Very low	129.5 Å²	129.5	130.3 Å²	130.3	79%	0.794	76%	0.758	S	S	*	*			trans	-118.8	153.8	-177.4	46.6	0	0	0	0	111.2
2369	P	33	Very low	34.3	Very low	116.5 Å²	116.5	129.6 Å²	129.6	76%	0.756	75%	0.754	S	S	*	*			trans	-118.1	163	146	36	-27.8	0	0	0	114.2
2370	V	35	Very low	34.3	Very low	126.25 Å²	126.25	131 Å²	131	77%	0.765	75%	0.753	S	S	*	*			trans	-140.9	130.8	-160.8	166.8	0	0	0	0	109.7
2371	P	36.4	Very low	34.4	Very low	109.5 Å²	109.5	129 Å²	129	71%	0.711	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-93.3	163.8	170	34.5	-32.3	0	0	0	113.1
2372	P	40.4	Very low	34.6	Very low	109.25 Å²	109.25	126.7 Å²	126.7	71%	0.709	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-102.4	162.7	-152.6	37.1	-33.7	0	0	0	115.4
2373	H	36.2	Very low	34.7	Very low	169.75 Å²	169.75	126.3 Å²	126.3	79%	0.786	75%	0.749	S	S	*	*			trans	-127.3	138.7	158.2	-81.9	-63	0	0	0	113.9
2374	N	36.4	Very low	35.1	Very low	133 Å²	133	127 Å²	127	71%	0.711	75%	0.752	S	S	*	*			trans	-144.2	154.7	142	-88.8	-33.1	0	0	0	111.5	A2452	N2374-A2452 WeakPolarHBondContact ND2-CA 3.32Å; N2374-A2452 PolarHBondContact ND2-N 3.24Å
2375	K	36	Very low	35	Very low	171 Å²	171	127.5 Å²	127.5	74%	0.743	75%	0.753	S	S	*	*			trans	-159.2	134.1	-143.1	-83.7	174.3	-169.1	168.4	0	113.3	S2453 G2454	K2375-S2453 WeakPolarHBondContact CB-O 3.32Å; K2375-G2454 WeakPolarHBondContact CB-O 3.24Å; K2375-G2454 WeakPolarHBondContact CG-O 3.49Å
2376	S	34.1	Very low	35.1	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	75%	0.752	S	S	*	*			trans	-105.2	170.9	134.4	65.2	0	0	0	0	115.2	S2453 G2454	S2376-S2453 VanDerWaalsContact CB-O 3.29Å; S2376-S2453 WeakPolarHBondContact CB-O 3.34Å; S2376-G2454 VanDerWaalsContact CA-O 3.26Å; S2376-G2454 WeakPolarHBondContact CA-O 3.18Å
2377	P	40.7	Very low	35	Very low	106.5 Å²	106.5	126.6 Å²	126.6	69%	0.692	75%	0.747	S	S	*	*			trans	-134	-175.4	137.2	33	-11.5	0	0	0	115.7
2378	V	34.9	Very low	34.9	Very low	125.5 Å²	125.5	128.4 Å²	128.4	76%	0.761	75%	0.747	S	S	*	*				145.4	127	97	166.3	0	0	0	0	112.4
2379	L	34.2	Very low	34.9	Very low	149 Å²	149	127.9 Å²	127.9	78%	0.78	74%	0.744	S	S	*	*			trans	126.5	161	130.5	-115.9	92.5	0	0	0	114.1	I2458	L2379-I2458 HydrophobicContact CD1-CD1 3.63Å
2380	S	33.7	Very low	34.9	Very low	97.75 Å²	97.75	130.5 Å²	130.5	68%	0.684	75%	0.746	S	S	*	*				-158.7	159.5	78.7	56.3	0	0	0	0	117.1
2381	S	33.5	Very low	34.6	Very low	110.75 Å²	110.75	133.1 Å²	133.1	77%	0.774	75%	0.747	S	S	*	*			trans	64.2	158.8	153.9	62.7	0	0	0	0	116.7
2382	S	36.3	Very low	34.2	Very low	110 Å²	110	135 Å²	135	77%	0.769	75%	0.75	S	S	*	*			cis	-173.3	144.7	25.7	50.9	0	0	0	0	116.2
2383	S	33.6	Very low	33.8	Very low	107.75 Å²	107.75	135.1 Å²	135.1	75%	0.753	75%	0.749	S	S	*	*			trans	-70.6	175	158.9	61	0	0	0	0	115.5
2384	P	38.5	Very low	33.6	Very low	116.25 Å²	116.25	132.5 Å²	132.5	76%	0.755	75%	0.746	S	S	*	*			cis	-143.6	179.4	29.2	41.5	-23	0	0	0	117.3
2385	L	30.2	Very low	33.4	Very low	156 Å²	156	132.4 Å²	132.4	82%	0.817	75%	0.75	S	S	*	*			trans	-18.7	139	165.3	-121.4	82.9	0	0	0	116.8
2386	K	35.2	Very low	33.2	Very low	176.25 Å²	176.25	129.1 Å²	129.1	77%	0.766	75%	0.749	S	S	*	*				-171.5	159.6	116.5	-109.9	173.8	166.9	-105.6	0	111.7
2387	D	31.8	Very low	33.1	Very low	123.25 Å²	123.25	129.3 Å²	129.3	66%	0.659	75%	0.749	S	S	*	*				-121.4	163.2	64	-97.1	-41.6	0	0	0	116.1
2388	L	30.5	Very low	32.7	Very low	148 Å²	148	135.5 Å²	135.5	78%	0.775	76%	0.759	S	S	*	*			trans	3.8	134.4	147.8	-127.9	74.6	0	0	0	115.3
2389	T	32.5	Very low	32.6	Very low	117.75 Å²	117.75	134.2 Å²	134.2	72%	0.722	76%	0.756	S	S	*	*				-174.9	152.8	82.9	21.4	0	0	0	0	117
2390	Q	32.2	Very low	32.4	Very low	172 Å²	172	133.6 Å²	133.6	80%	0.804	75%	0.754	S	S	*	*			trans	35.2	142.4	157.5	-56.3	176.7	14.1	0	0	117.7
2391	K	29.4	Very low	32.2	Very low	181.75 Å²	181.75	136.9 Å²	136.9	79%	0.79	76%	0.758	S	S	*	*				170.3	147.9	77.5	-161.4	171.3	-178.3	179.2	0	115.3
2392	L	28.1	Very low	32	Very low	147.5 Å²	147.5	136.1 Å²	136.1	77%	0.772	75%	0.752	S	S	*	*			trans	12.1	160.1	174.3	-81.1	68.1	0	0	0	117
2393	T	31.3	Very low	31.6	Very low	112.5 Å²	112.5	137.8 Å²	137.8	69%	0.69	75%	0.752	S	S	*	*			cis	-177.7	160.7	16.4	15.9	0	0	0	0	112.2
2394	T	32.2	Very low	31.4	Very low	115 Å²	115	139.2 Å²	139.2	71%	0.706	75%	0.751	S	S	*	*				133.8	142.8	79.5	20.4	0	0	0	0	116.5
2395	T	32.5	Very low	31	Very low	131.25 Å²	131.25	139.7 Å²	139.7	81%	0.805	75%	0.752	S	S	*	*				73.9	138.3	129.4	42.5	0	0	0	0	118.9
2396	S	31.3	Very low	30.9	Very low	101.5 Å²	101.5	136.8 Å²	136.8	71%	0.71	74%	0.744	S	S	*	*				-173.3	125.9	59.9	69.5	0	0	0	0	114.3
2397	S	32.5	Very low	30.9	Very low	108 Å²	108	137.6 Å²	137.6	76%	0.755	75%	0.747	S	S	*	*				87.3	141.2	108.2	70.3	0	0	0	0	119.1
2398	R	31.3	Very low	30.7	Very low	237.25 Å²	237.25	139 Å²	139	90%	0.895	76%	0.755	S	S	*	*			trans	44	153.4	153	-95.7	176.2	171.8	169.7	-4.2	117.4
2399	S	32.8	Very low	30.8	Very low	99.5 Å²	99.5	136 Å²	136	70%	0.696	75%	0.751	S	S	*	*				126.7	147.7	127.2	54.5	0	0	0	0	115
2400	N	30	Very low	30.8	Very low	136 Å²	136	136.3 Å²	136.3	73%	0.727	75%	0.753	S	S	*	*				-146.3	169.4	64.9	-97.5	9.2	0	0	0	114
2401	E	30.2	Very low	30.7	Very low	167.667 Å²	167.667	135.2 Å²	135.2	78%	0.783	75%	0.753	S	S	*	*			trans	61.5	157.2	151.8	-68	169.6	-179.7	0	0	121
2402	S	29.3	Very low	30.8	Very low	92.6667 Å²	92.6667	133.7 Å²	133.7	65%	0.648	75%	0.752	S	S	*	*			cis	161.3	165.3	-45.2	72.2	0	0	0	0	113.2
2403	L	28.2	Very low	30.9	Very low	146 Å²	146	137.8 Å²	137.8	76%	0.764	76%	0.757	S	S	*	*			trans	88	146	164.4	-86.1	136.7	0	0	0	114.4
2404	L	28.4	Very low	30.9	Very low	138 Å²	138	138.1 Å²	138.1	72%	0.723	76%	0.764	S	S	*	*				101.8	148.8	120.1	-84	170.3	0	0	0	118.5
2405	T	31	Very low	30.8	Very low	126.667 Å²	126.667	136.5 Å²	136.5	78%	0.777	77%	0.77	S	S	*	*			trans	75.4	133	146.2	60.4	0	0	0	0	120.5
2406	S	28.6	Very low	30.7	Very low	93.3333 Å²	93.3333	133.8 Å²	133.8	65%	0.653	77%	0.769	S	S	*	*				-152.2	137.8	121.4	88.5	0	0	0	0	115.6
2407	K	34	Very low	30.6	Very low	193.667 Å²	193.667	136.4 Å²	136.4	84%	0.842	77%	0.774	S	S	*	*			trans	164	144.2	134.8	-90.3	158.2	-174.3	173.6	0	114.2
2408	N	28.4	Very low	30.7	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	78%	0.779	S	S	*	*			trans	48.9	134.7	136.3	-60.4	-11.3	0	0	0	113.5
2409	A	32.6	Very low	30.7	Very low	84.6667 Å²	84.6667	132.8 Å²	132.8	70%	0.7	77%	0.771	S	S	*	*				-163.7	130.4	58.1	0	0	0	0	0	109.5
2410	T	31.4	Very low	30.8	Very low	124 Å²	124	133.1 Å²	133.1	76%	0.761	77%	0.771	S	S	*	*				91.8	123.2	89.8	60.4	0	0	0	0	114.9
2411	N	30.8	Very low	30.8	Very low	149.667 Å²	149.667	133 Å²	133	80%	0.8	77%	0.77	S	S	*	*			trans	-159.3	143.3	153	-74.3	-45.7	0	0	0	111.9
2412	I	32	Very low	30.9	Very low	150.333 Å²	150.333	133.3 Å²	133.3	77%	0.771	77%	0.772	S	S	*	*				-178.7	140.1	60.4	-93.9	160.4	0	0	0	109.9
2413	R	29.6	Very low	31	Very low	233.667 Å²	233.667	135.2 Å²	135.2	88%	0.882	77%	0.772	S	S	*	*			trans	-170.4	149.1	159.7	-135.6	-177.1	-176	-169.6	2	116
2414	S	31.9	Very low	31.2	Very low	117.667 Å²	117.667	134 Å²	134	82%	0.823	77%	0.765	S	S	*	*			trans	-133.1	152.2	143.9	64.3	0	0	0	0	113.6
2415	G	29.8	Very low	31.2	Very low	81.3333 Å²	81.3333	133.9 Å²	133.9	84%	0.838	76%	0.759	S	S	*	*			trans	136.3	121.8	153.5	0	0	0	0	0	114.1
2416	G	30.7	Very low	31.3	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	75%	0.749	S	S	*	*			trans	-151.7	155.6	-175.3	0	0	0	0	0	115.2
2417	N	28.9	Very low	31.3	Very low	156 Å²	156	131.6 Å²	131.6	83%	0.834	75%	0.747	S	S	*	*			trans	-65.9	150.1	173.9	-61.2	-16.8	0	0	0	115.1
2418	I	34	Very low	31.3	Very low	165.333 Å²	165.333	126.7 Å²	126.7	85%	0.848	74%	0.735	S	S	*	*				-173.1	146.2	89.5	-99.4	157.4	0	0	0	110.4
2419	S	30.9	Very low	31.4	Very low	105 Å²	105	127 Å²	127	73%	0.734	73%	0.729	S	S	*	*			trans	-136.3	168.1	163.9	97.6	0	0	0	0	107
2420	P	35.7	Very low	31.4	Very low	105.667 Å²	105.667	127.5 Å²	127.5	69%	0.686	73%	0.726	S	S	*	*			cis	-149.7	-175.2	38.5	44.6	-25	0	0	0	116.5
2421	N	30.6	Very low	31.1	Very low	134.667 Å²	134.667	124.5 Å²	124.5	72%	0.72	72%	0.719	S	S	*	*			trans	20.6	136.3	149.3	-66	-19.9	0	0	0	120.4
2422	Q	32.6	Very low	30.9	Very low	173 Å²	173	127.7 Å²	127.7	81%	0.808	72%	0.722	S	S	*	*				160.2	146.2	120.8	-74.5	-176.8	-6.7	0	0	115.2
2423	M	30.3	Very low	30.7	Very low	132 Å²	132	131 Å²	131	65%	0.65	72%	0.724	S	S	*	*			trans	174.3	138.2	149.8	-88.8	179	64.7	0	0	116.4
2424	L	31.8	Very low	30.5	Very low	121 Å²	121	128.2 Å²	128.2	63%	0.634	72%	0.719	S	S	*	*			trans	63.1	131.7	137.8	-90.7	98.8	0	0	0	121.6
2425	K	30.4	Very low	30.5	Very low	136 Å²	136	133.2 Å²	133.2	59%	0.591	72%	0.72	S	S	*	*			trans	156	142	132.2	-92.4	176.9	176.2	-172.7	0	116.1
2426	S	32	Very low	30.5	Very low	80 Å²	80	138 Å²	138	56%	0.559	72%	0.72	S	S	*	*			trans	-175.9	134.6	144.5	49.4	0	0	0	0	116.1
2427	C	29.1	Very low	30.4	Very low	91.6667 Å²	91.6667	137.8 Å²	137.8	62%	0.619	72%	0.718	S	S	*	*			trans	-131.8	142.8	158.9	-77.3	0	0	0	0	111.6
2428	P	34.2	Very low	30.5	Very low	90.6667 Å²	90.6667	139 Å²	139	59%	0.589	72%	0.718	S	S	*	*			trans	-119.6	150.2	151.8	36.9	-25.8	0	0	0	116.2
2429	K	30.5	Very low	30.3	Very low	160.333 Å²	160.333	136.4 Å²	136.4	70%	0.697	71%	0.713	S	S	*	*			trans	18.5	148.2	158.2	-61.4	175.1	-177.3	174.1	0	116.4	E1818	E1818-K2429 WeakPolarHBondContact OE1-CE 3.26Å; E1818-K2429 IonicContact OE1-NZ 2.77Å; E1818-K2429 PolarHBondContact OE1-NZ 3.07Å
2430	P	31.2	Very low	30.1	Very low	95 Å²	95	138.6 Å²	138.6	62%	0.617	72%	0.715	S	S	*	*				-120.8	176.1	63.1	41	-37.7	0	0	0	114.7
2431	G	25.3	Very low	29.9	Very low	61 Å²	61	141.3 Å²	141.3	63%	0.629	72%	0.722	S	S	*	*			cis	-174.5	68.7	16.6	0	0	0	0	0	114.1
2432	Y	27.7	Very low	29.8	Very low	217.333 Å²	217.333	141.8 Å²	141.8	85%	0.852	73%	0.725	S	S	*	*			trans	-130.5	157.7	171.7	-89.4	-76.5	0	0	0	112.9
2433	R	27.8	Very low	29.7	Very low	219.333 Å²	219.333	142.7 Å²	142.7	83%	0.828	73%	0.726	S	S	*	*			trans	-112.3	107.6	-158	-171.5	-173.8	-165.1	-179	6.5	111.8	R2435	R2433-R2435 PolarHBondContact O-N 3.05Å
2434	F	25.8	Very low	29.7	Very low	174.333 Å²	174.333	142.6 Å²	142.6	77%	0.765	74%	0.736	S	S	*	*			trans	-77.6	130.1	176.1	-76.4	-89.3	0	0	0	112.9	H2436	F2434-H2436 AromaticContact CD1-NE2 3.65Å
2435	R	30.6	Very low	29.7	Very low	222.667 Å²	222.667	142 Å²	142	84%	0.84	74%	0.741	S	S	*	*			trans	-128.7	117.4	160.5	-84.8	-168.9	165.6	-173.6	-4.6	109.8	R2433 G2437	R2433-R2435 PolarHBondContact O-N 3.05Å; R2435-G2437 PolarHBondContact O-N 3.15Å
2436	H	30.6	Very low	29.6	Very low	181 Å²	181	141.2 Å²	141.2	84%	0.838	75%	0.753	S	S	*	*			trans	-49.2	117	165.2	-64.2	-76.1	0	0	0	114.4	F2434	F2434-H2436 AromaticContact CD1-NE2 3.65Å
2437	G	28.4	Very low	29.7	Very low	71.3333 Å²	71.3333	143.1 Å²	143.1	74%	0.735	77%	0.766	S	S	*	*			trans	-142.8	124.5	165.4	0	0	0	0	0	112.4	R2435	R2435-G2437 PolarHBondContact O-N 3.15Å
2438	Q	31.3	Very low	29.8	Very low	181.333 Å²	181.333	142.3 Å²	142.3	85%	0.847	77%	0.773	S	S	*	*			trans	-84.6	131	178.3	-71.1	172.8	-38.4	0	0	111.4	L2440	Q2438-L2440 PolarHBondContact O-N 3.09Å
2439	P	29	Very low	29.6	Very low	111.333 Å²	111.333	143.5 Å²	143.5	72%	0.723	78%	0.784	S	S	*	*			trans	-77	137.2	163.1	19.8	-14.2	0	0	0	110.1	I2441	P2439-I2441 PolarHBondContact O-N 3.07Å
2440	L	27.3	Very low	29.8	Very low	151 Å²	151	143 Å²	143	79%	0.791	79%	0.794	S	S	*	*			trans	-68.5	134.2	171.7	-83.7	76.5	0	0	0	110.5	Q2438 N2442	Q2438-L2440 PolarHBondContact O-N 3.09Å; L2440-N2442 PolarHBondContact O-N 3.34Å; L2440-N2442 VanDerWaalsContact O-N 3.11Å
2441	I	31.2	Very low	29.8	Very low	163.333 Å²	163.333	141.7 Å²	141.7	84%	0.838	80%	0.798	S	S	*	*			trans	-75	106.3	166.1	-61.6	174.5	0	0	0	108.2	P2439 K2443	P2439-I2441 PolarHBondContact O-N 3.07Å; I2441-K2443 PolarHBondContact O-N 2.91Å
2442	N	29.3	Very low	30.3	Very low	144.333 Å²	144.333	143 Å²	143	77%	0.772	80%	0.803	S	S	*	*			trans	-83.5	114.5	170.6	-78.4	-23.4	0	0	0	110.1	L2440	L2440-N2442 PolarHBondContact O-N 3.34Å; L2440-N2442 VanDerWaalsContact O-N 3.11Å
2443	K	29.6	Very low	30.6	Very low	191.333 Å²	191.333	138 Å²	138	83%	0.832	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71.9	136.5	164.8	-90.4	-179.3	177.4	177.9	0	109.2	I2441 S2445	I2441-K2443 PolarHBondContact O-N 2.91Å; K2443-S2445 PolarHBondContact O-N 3.13Å
2444	P	31.4	Very low	31	Very low	131 Å²	131	130.3 Å²	130.3	85%	0.851	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-70.8	123.3	177.6	28.8	-34	0	0	0	111.1	S2446	P2444-S2446 PolarHBondContact O-N 3.39Å
2445	S	30.4	Very low	31.4	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	79%	0.788	S	S	*	*			trans	-92.9	126.1	-179.4	56.6	0	0	0	0	112	K2443	K2443-S2445 PolarHBondContact O-N 3.13Å
2446	S	29.1	Very low	31.5	Very low	119.333 Å²	119.333	123.6 Å²	123.6	83%	0.834	79%	0.788	S	S	*	*			trans	-42.7	141.3	171.5	58	0	0	0	0	113.7	P2444	P2444-S2446 PolarHBondContact O-N 3.39Å
2447	S	34.3	Very low	31.5	Very low	118.667 Å²	118.667	126.1 Å²	126.1	83%	0.83	79%	0.79	S	S	*	*			trans	-171.5	151.6	158.9	61.3	0	0	0	0	111.2
2448	G	30.1	Very low	31.8	Very low	74.6667 Å²	74.6667	129.5 Å²	129.5	77%	0.77	79%	0.79	S	S	*	*			cis	156	142	12.6	0	0	0	0	0	110.3
2449	S	31.5	Very low	31.8	Very low	116.667 Å²	116.667	131.9 Å²	131.9	82%	0.816	79%	0.791	S	S	*	*			trans	-114.6	140.1	-163.6	91.9	0	0	0	0	112.5
2450	V	34	Very low	31.9	Very low	149.333 Å²	149.333	131.3 Å²	131.3	91%	0.905	79%	0.79	S	S	*	*			trans	-165.7	139.8	158.2	-177.3	0	0	0	0	110.7
2451	G	31.3	Very low	32.1	Very low	68.3333 Å²	68.3333	131 Å²	131	70%	0.704	79%	0.789	S	S	*	*			trans	162.5	119.6	-177.1	0	0	0	0	0	114.5
2452	A	34.9	Very low	32.1	Very low	89 Å²	89	131.6 Å²	131.6	74%	0.736	79%	0.788	S	S	*	*			trans	103	136.3	134.6	0	0	0	0	0	116.9	N2374	N2374-A2452 WeakPolarHBondContact ND2-CA 3.32Å; N2374-A2452 PolarHBondContact ND2-N 3.24Å
2453	S	35.7	Very low	32.1	Very low	112 Å²	112	130 Å²	130	78%	0.783	79%	0.789	S	S	*	*			trans	168.3	147.9	156.6	56.6	0	0	0	0	116.4	K2375 S2376	K2375-S2453 WeakPolarHBondContact CB-O 3.32Å; S2376-S2453 VanDerWaalsContact CB-O 3.29Å; S2376-S2453 WeakPolarHBondContact CB-O 3.34Å
2454	G	34.7	Very low	32.1	Very low	57.6667 Å²	57.6667	132 Å²	132	60%	0.595	79%	0.791	S	S	*	*			trans	114.2	123.1	134	0	0	0	0	0	118.7	K2375 S2376	K2375-G2454 WeakPolarHBondContact CB-O 3.24Å; K2375-G2454 WeakPolarHBondContact CG-O 3.49Å; S2376-G2454 VanDerWaalsContact CA-O 3.26Å; S2376-G2454 WeakPolarHBondContact CA-O 3.18Å
2455	P	34.1	Very low	32	Very low	114.667 Å²	114.667	130.6 Å²	130.6	75%	0.745	78%	0.784	S	S	*	*			trans	-97.2	157.9	-175.1	35.6	-31.2	0	0	0	114.9
2456	V	34.2	Very low	31.9	Very low	140.333 Å²	140.333	133.4 Å²	133.4	85%	0.851	79%	0.785	S	S	*	*			trans	-162.3	131.8	161.7	-174.9	0	0	0	0	112.6
2457	R	29.2	Very low	31.9	Very low	234.333 Å²	234.333	135.3 Å²	135.3	88%	0.884	79%	0.786	S	S	*	*			trans	-120.9	116.8	177.5	178.9	-163.4	-158.7	177.2	7.5	113.7
2458	I	35.4	Very low	31.8	Very low	143 Å²	143	137 Å²	137	73%	0.733	78%	0.784	S	S	*	*			trans	-154.1	139.3	157.4	-89.3	162.4	0	0	0	108.7	L2379	L2379-I2458 HydrophobicContact CD1-CD1 3.63Å
2459	R	30.4	Very low	31.7	Very low	231 Å²	231	137.6 Å²	137.6	87%	0.872	78%	0.777	S	S	*	*			trans	-26.9	147.8	148.7	-65.9	172.1	176.4	170.6	-3.8	113.7
2460	S	32.3	Very low	31.6	Very low	99 Å²	99	140.5 Å²	140.5	69%	0.692	78%	0.782	S	S	*	*			cis	-177.3	149	20.7	49	0	0	0	0	112.1
2461	N	30.1	Very low	31.4	Very low	144 Å²	144	140.9 Å²	140.9	77%	0.77	77%	0.774	S	S	*	*			trans	27	133.2	152.3	-54.6	11.6	0	0	0	120.3
2462	E	32.5	Very low	31.2	Very low	177.333 Å²	177.333	142.1 Å²	142.1	83%	0.829	77%	0.772	S	S	*	*				175.7	165	94.6	-114.6	164.9	-154.4	0	0	116.2
2463	S	29.7	Very low	31	Very low	111.333 Å²	111.333	143.8 Å²	143.8	78%	0.779	78%	0.775	S	S	*	*			trans	49.5	123.3	-174	61.7	0	0	0	0	117
2464	R	28.5	Very low	30.7	Very low	232.333 Å²	232.333	146.8 Å²	146.8	88%	0.877	77%	0.774	S	S	*	*				122.3	126	69.2	-154.2	177.1	178.2	168.5	-0.6	112.9
2465	S	29.8	Very low	30.6	Very low	101.667 Å²	101.667	151.8 Å²	151.8	71%	0.711	79%	0.788	S	S	*	*			trans	64.1	116.1	157.1	27.9	0	0	0	0	114.1
2466	E	28.1	Very low	30.6	Very low	167 Å²	167	151.4 Å²	151.4	78%	0.78	79%	0.787	S	S	*	*				51.2	122.8	71.6	-65	175.5	169.1	0	0	115	I2468	E2466-I2468 PolarHBondContact O-N 3.16Å; E2466-I2468 VanDerWaalsContact O-N 3.16Å
2467	N	29.2	Very low	30.9	Very low	159.333 Å²	159.333	153.8 Å²	153.8	85%	0.852	79%	0.786	S	S	*	*			trans	-138.7	131.7	134.9	-97.2	-47.9	0	0	0	112.4	S2469	N2467-S2469 VanDerWaalsContact C-N 3.3Å; N2467-S2469 PolarHBondContact O-N 2.92Å
2468	I	31.7	Very low	31.4	Very low	154 Å²	154	145.3 Å²	145.3	79%	0.79	77%	0.772	S	S	*	*			trans	-57.5	95.1	169.5	-58.5	169.8	0	0	0	112.2	E2466	E2466-I2468 PolarHBondContact O-N 3.16Å; E2466-I2468 VanDerWaalsContact O-N 3.16Å
2469	S	29.3	Very low	32.1	Very low	87 Å²	87	144.3 Å²	144.3	61%	0.608	77%	0.767	S	S	*	*			trans	-69.1	139	154.9	55.2	0	0	0	0	113.5	N2467 Q2471	N2467-S2469 VanDerWaalsContact C-N 3.3Å; N2467-S2469 PolarHBondContact O-N 2.92Å; S2469-Q2471 PolarHBondContact O-N 3.34Å
2470	L	29.1	Very low	33.2	Very low	177 Å²	177	138 Å²	138	93%	0.927	74%	0.743	S	S	*	*			trans	-78.5	112.3	159.9	-74.1	140.4	0	0	0	109.3	S2472	L2470-S2472 PolarHBondContact O-N 3.09Å
2471	Q	29.5	Very low	34.4	Very low	158.667 Å²	158.667	136.6 Å²	136.6	74%	0.741	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-99.3	123.3	172	-82.8	174.7	24.7	0	0	111.3	S2469	S2469-Q2471 PolarHBondContact O-N 3.34Å
2472	S	26.3	Very low	36	Very low	94 Å²	94	133.5 Å²	133.5	66%	0.657	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-32.4	135.3	159.3	53.7	0	0	0	0	113.5	L2470 K2474	L2470-S2472 PolarHBondContact O-N 3.09Å; S2472-K2474 PolarHBondContact O-N 2.94Å
2473	P	32	Very low	37.4	Very low	124 Å²	124	131.3 Å²	131.3	81%	0.805	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-61.9	127.9	166.2	11.3	-11	0	0	0	110.2
2474	K	28	Very low	39	Very low	175.667 Å²	175.667	128.5 Å²	128.5	76%	0.764	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-75.6	129.7	175.8	-69.7	179.5	179.4	176.1	0	110.3	S2472 S2476	S2472-K2474 PolarHBondContact O-N 2.94Å; K2474-S2476 PolarHBondContact O-N 3.1Å; K2474-S2476 PolarHBondContact O-OG 3.15Å
2475	D	33.1	Very low	40.8	Very low	163 Å²	163	118.8 Å²	118.8	87%	0.872	65%	0.647	S	S	*	*			trans	-56.7	104.8	165.9	-63.3	-66.5	0	0	0	114.2
2476	S	34.5	Very low	42.8	Very low	105.667 Å²	105.667	116.1 Å²	116.1	74%	0.739	62%	0.622	S	S	*	*			trans	-101.2	144.6	172	52.2	0	0	0	0	110.3	K2474 G2478	K2474-S2476 PolarHBondContact O-N 3.1Å; K2474-S2476 PolarHBondContact O-OG 3.15Å; S2476-G2478 PolarHBondContact O-N 3.08Å
2477	K	39.2	Very low	44.6	Very low	191 Å²	191	110.3 Å²	110.3	83%	0.83	60%	0.6	S	S	*	*			trans	-70.2	79.7	175.2	-72	-175.3	173.7	-175.2	0	110.3	S1669 I2479	S1669-K2477 PolarHBondContact O-NZ 3.3Å; K2477-I2479 PolarHBondContact O-N 3.35Å; K2477-I2479 VanDerWaalsContact O-N 3.14Å
2478	G	41.2	Very low	46.3	Very low	56 Å²	56	106.5 Å²	106.5	58%	0.577	58%	0.577	S	S	*	*			trans	-88.2	118.8	177.2	0	0	0	0	0	111.4	S2476 R2480	S2476-G2478 PolarHBondContact O-N 3.08Å; G2478-R2480 PolarHBondContact O-N 2.94Å; G2478-R2480 VanDerWaalsContact O-N 3.07Å
2479	I	49.1	Very low	48.1	Very low	122.333 Å²	122.333	99.6 Å²	99.6	63%	0.627	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-59.6	118.3	177.9	-60.1	170.8	0	0	0	109.1	P1673 K2477 S2481	P1673-I2479 HydrophobicContact CB-CG2 4.11Å; K2477-I2479 PolarHBondContact O-N 3.35Å; K2477-I2479 VanDerWaalsContact O-N 3.14Å; I2479-S2481 PolarHBondContact O-N 3.35Å
2480	R	53.7	Low	50.2	Low	98 Å²	98	96.4 Å²	96.4	37%	0.37	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-61.6	140.6	173.9	-80.8	-176.6	-176.8	169.7	12.6	110.1	N1942 G2478 L2485 Q2488	N1942-R2480 VanDerWaalsContact O-CZ 3.32Å; N1942-R2480 PolarHBondContact O-NH1 3.15Å; N1942-R2480 PolarHBondContact O-NH2 3.07Å; N1942-R2480 WeakPolarHBondContact OD1-CD 3.49Å; N1942-R2480 VanDerWaalsContact OD1-CG 3.27Å; N1942-R2480 WeakPolarHBondContact OD1-CG 3.3Å; G2478-R2480 PolarHBondContact O-N 2.94Å; G2478-R2480 VanDerWaalsContact O-N 3.07Å; R2480-L2485 HydrophobicContact CB-CD1 4.23Å; R2480-L2485 HydrophobicContact CB-CD2 3.83Å; R2480-L2485 HydrophobicContact CB-CG 3.83Å; R2480-L2485 HydrophobicContact CG-CD2 4.35Å; R2480-Q2488 PolarHBondContact NH1-O 2.84Å; R2480-Q2488 VanDerWaalsContact NH1-O 3.15Å
2481	S	58.6	Low	52.1	Low	69 Å²	69	96.3 Å²	96.3	48%	0.483	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-62.6	145.5	173.9	70.2	0	0	0	0	110.9	I2479 L2483 T2484 L2485	I2479-S2481 PolarHBondContact O-N 3.35Å; S2481-L2483 PolarHBondContact O-N 3.22Å; S2481-L2483 VanDerWaalsContact O-N 3.16Å; S2481-T2484 PolarHBondContact N-OG1 2.98Å; S2481-T2484 VanDerWaalsContact N-OG1 3.14Å; S2481-T2484 PolarHBondContact O-N 3.25Å; S2481-T2484 PolarHBondContact O-OG1 3.14Å; S2481-T2484 PolarHBondContact OG-N 2.8Å; S2481-T2484 VanDerWaalsContact OG-N 3.16Å; S2481-T2484 PolarHBondContact OG-OG1 3.22Å; S2481-L2485 PolarHBondContact O-N 3.23Å
2482	R	62.5	Low	54.2	Low	79.6667 Å²	79.6667	89.6 Å²	89.6	30%	0.301	50%	0.498	S	S	.	.	H	α-helix	trans	-51.6	-37	-179.8	-106.6	-177.6	-157	-169.5	-6.2	113	P1673 Y1674 G1675 E1856 N1897 T2484 L2485 Y2486	P1673-R2482 HydrophobicContact CB-CB 4.11Å; P1673-R2482 HydrophobicContact CG-CB 3.95Å; P1673-R2482 HydrophobicContact CG-CG 4.32Å; P1673-R2482 VanDerWaalsContact O-CZ 3.25Å; P1673-R2482 PolarHBondContact O-NE 3.5Å; P1673-R2482 PolarHBondContact O-NH2 3.47Å; Y1674-R2482 VanDerWaalsContact C-NH2 3.29Å; G1675-R2482 VanDerWaalsContact CA-CZ 3.42Å; E1856-R2482 IonicContact OE1-CZ 2.65Å; E1856-R2482 IonicContact OE1-NH1 2.74Å; E1856-R2482 IonicContact OE1-NH2 3.53Å; E1856-R2482 PolarHBondContact OE1-NH2 3.23Å; E1856-R2482 IonicContact OE2-CZ 3.31Å; E1856-R2482 VanDerWaalsContact OE2-CZ 3.23Å; E1856-R2482 IonicContact OE2-NH1 2.93Å; E1856-R2482 PolarHBondContact OE2-NH1 2.76Å; E1856-R2482 IonicContact OE2-NH2 3.25Å; E1856-R2482 PolarHBondContact OE2-NH2 2.79Å; N1897-R2482 PolarHBondContact ND2-NH1 3.33Å; N1897-R2482 VanDerWaalsContact ND2-NH1 3.15Å; N1897-R2482 PolarHBondContact OD1-NH1 3.41Å; R2482-T2484 VanDerWaalsContact C-N 3.29Å; R2482-T2484 PolarHBondContact O-N 3.09Å; R2482-L2485 PolarHBondContact O-N 3.14Å; R2482-Y2486 HydrophobicContact CB-CD2 4.3Å; R2482-Y2486 HydrophobicContact CB-CE2 3.95Å; R2482-Y2486 HydrophobicContact CG-CD1 4.32Å; R2482-Y2486 HydrophobicContact CG-CD2 3.91Å; R2482-Y2486 HydrophobicContact CG-CE1 3.86Å; R2482-Y2486 HydrophobicContact CG-CE2 3.74Å; R2482-Y2486 VanDerWaalsContact CG-CE2 3.42Å; R2482-Y2486 HydrophobicContact CG-CG 4.34Å; R2482-Y2486 PolarHBondContact NE-OH 3.47Å; R2482-Y2486 WeakPolarHBondContact O-CD2 3.11Å; R2482-Y2486 PolarHBondContact O-N 2.97Å
2483	L	61.6	Low	56.9	Low	130.667 Å²	130.667	86.3 Å²	86.3	68%	0.684	47%	0.471	S	S	*	.	H	α-helix	trans	-59.8	-40.3	177.4	-172.1	65.2	0	0	0	112.6	S2481 L2485 Y2486 S2487	S2481-L2483 PolarHBondContact O-N 3.22Å; S2481-L2483 VanDerWaalsContact O-N 3.16Å; L2483-L2485 VanDerWaalsContact C-N 3.32Å; L2483-L2485 PolarHBondContact O-N 3.02Å; L2483-Y2486 PolarHBondContact O-N 3.08Å; L2483-S2487 WeakPolarHBondContact O-CB 3.27Å; L2483-S2487 PolarHBondContact O-N 2.91Å; L2483-S2487 VanDerWaalsContact O-N 3.13Å; L2483-S2487 PolarHBondContact O-OG 2.99Å; L2483-S2487 VanDerWaalsContact O-OG 3.1Å
2484	T	63.7	Low	59.3	Low	52 Å²	52	84.5 Å²	84.5	32%	0.319	45%	0.452	S	S	.	.	H	α-helix	trans	-71.7	-33.2	179.1	53.5	0	0	0	0	112.8	S2481 R2482 Y2486 S2487 Q2488	S2481-T2484 PolarHBondContact N-OG1 2.98Å; S2481-T2484 VanDerWaalsContact N-OG1 3.14Å; S2481-T2484 PolarHBondContact O-N 3.25Å; S2481-T2484 PolarHBondContact O-OG1 3.14Å; S2481-T2484 PolarHBondContact OG-N 2.8Å; S2481-T2484 VanDerWaalsContact OG-N 3.16Å; S2481-T2484 PolarHBondContact OG-OG1 3.22Å; R2482-T2484 VanDerWaalsContact C-N 3.29Å; R2482-T2484 PolarHBondContact O-N 3.09Å; T2484-Y2486 VanDerWaalsContact C-N 3.3Å; T2484-Y2486 PolarHBondContact O-N 3.12Å; T2484-S2487 WeakPolarHBondContact CA-OG 2.96Å; T2484-S2487 PolarHBondContact O-N 2.95Å; T2484-S2487 PolarHBondContact O-OG 3.34Å; T2484-Q2488 WeakPolarHBondContact O-CA 3.37Å; T2484-Q2488 WeakPolarHBondContact O-CB 3.35Å; T2484-Q2488 PolarHBondContact O-N 3.43Å
2485	L	66	Low	61.9	Low	30 Å²	30	80.2 Å²	80.2	16%	0.157	44%	0.437	C	S	.	.	H	α-helix	trans	-69.1	-34.7	176.9	-84.6	172.8	0	0	0	113.1	P1673 L1941 R2480 S2481 R2482 L2483	P1673-L2485 HydrophobicContact CG-CD1 3.73Å; L1941-L2485 HydrophobicContact CD2-CD1 4.32Å; L1941-L2485 HydrophobicContact CG-CD2 4.31Å; L1941-L2485 WeakPolarHBondContact O-CD2 3.35Å; R2480-L2485 HydrophobicContact CB-CD1 4.23Å; R2480-L2485 HydrophobicContact CB-CD2 3.83Å; R2480-L2485 HydrophobicContact CB-CG 3.83Å; R2480-L2485 HydrophobicContact CG-CD2 4.35Å; S2481-L2485 PolarHBondContact O-N 3.23Å; R2482-L2485 PolarHBondContact O-N 3.14Å; L2483-L2485 VanDerWaalsContact C-N 3.32Å; L2483-L2485 PolarHBondContact O-N 3.02Å
2486	Y	71.7	Confident	64.3	Low	43.3333 Å²	43.3333	78.2 Å²	78.2	17%	0.17	43%	0.426	C	S	.	.	H	α-helix	trans	-82.3	-23.1	179.6	-61.7	-35.3	0	0	0	113.6	A1899 F1901 C1946 S1949 N2016 R2482 L2483 T2484 Q2488 R2493	A1899-Y2486 HydrophobicContact CB-CE1 3.87Å; A1899-Y2486 HydrophobicContact CB-CE2 4.37Å; F1901-Y2486 HydrophobicContact CE1-CD1 4.49Å; F1901-Y2486 HydrophobicContact CE1-CE1 4.37Å; F1901-Y2486 HydrophobicContact CZ-CD1 4.4Å; F1901-Y2486 AromaticContact CZ-CE1 3.86Å; F1901-Y2486 HydrophobicContact CZ-CE1 4.11Å; C1946-Y2486 HydrophobicContact CB-CD1 4.31Å; S1949-Y2486 VanDerWaalsContact CB-CD2 3.45Å; N2016-Y2486 WeakPolarHBondContact ND2-CE1 3.4Å; N2016-Y2486 PolarHBondContact ND2-O 2.76Å; R2482-Y2486 HydrophobicContact CB-CD2 4.3Å; R2482-Y2486 HydrophobicContact CB-CE2 3.95Å; R2482-Y2486 HydrophobicContact CG-CD1 4.32Å; R2482-Y2486 HydrophobicContact CG-CD2 3.91Å; R2482-Y2486 HydrophobicContact CG-CE1 3.86Å; R2482-Y2486 HydrophobicContact CG-CE2 3.74Å; R2482-Y2486 VanDerWaalsContact CG-CE2 3.42Å; R2482-Y2486 HydrophobicContact CG-CG 4.34Å; R2482-Y2486 PolarHBondContact NE-OH 3.47Å; R2482-Y2486 WeakPolarHBondContact O-CD2 3.11Å; R2482-Y2486 PolarHBondContact O-N 2.97Å; L2483-Y2486 PolarHBondContact O-N 3.08Å; T2484-Y2486 VanDerWaalsContact C-N 3.3Å; T2484-Y2486 PolarHBondContact O-N 3.12Å; Y2486-Q2488 VanDerWaalsContact C-N 3.3Å; Y2486-R2493 PolarHBondContact O-NH1 3.37Å
2487	S	65.8	Low	66.8	Low	46.6667 Å²	46.6667	74.9 Å²	74.9	33%	0.326	40%	0.4	S	S	.	.	H	α-helix	trans	-94.7	-24.3	-179.4	58.8	0	0	0	0	114.6	L2483 T2484 G2489 R2493 L2495	L2483-S2487 WeakPolarHBondContact O-CB 3.27Å; L2483-S2487 PolarHBondContact O-N 2.91Å; L2483-S2487 VanDerWaalsContact O-N 3.13Å; L2483-S2487 PolarHBondContact O-OG 2.99Å; L2483-S2487 VanDerWaalsContact O-OG 3.1Å; T2484-S2487 WeakPolarHBondContact CA-OG 2.96Å; T2484-S2487 PolarHBondContact O-N 2.95Å; T2484-S2487 PolarHBondContact O-OG 3.34Å; S2487-G2489 VanDerWaalsContact C-N 3.33Å; S2487-G2489 PolarHBondContact O-N 3.3Å; S2487-R2493 PolarHBondContact O-NH1 2.7Å; S2487-L2495 WeakPolarHBondContact O-CD2 3.21Å
2488	Q	65.9	Low	69.2	Low	78 Å²	78	65.9 Å²	65.9	36%	0.364	36%	0.361	S	S	.	.	S	Bend	trans	-79.5	13.8	-176.3	-142.8	-178.2	1	0	0	112.5	R2480 T2484 Y2486 G2490	R2480-Q2488 PolarHBondContact NH1-O 2.84Å; R2480-Q2488 VanDerWaalsContact NH1-O 3.15Å; T2484-Q2488 WeakPolarHBondContact O-CA 3.37Å; T2484-Q2488 WeakPolarHBondContact O-CB 3.35Å; T2484-Q2488 PolarHBondContact O-N 3.43Å; Y2486-Q2488 VanDerWaalsContact C-N 3.3Å; Q2488-G2490 PolarHBondContact O-N 3.33Å
2489	G	69.8	Low	71.6	Confident	10 Å²	10	63.4 Å²	63.4	10%	0.103	34%	0.335	C	S	.	.			trans	-41	-133.5	-178.6	0	0	0	0	0	115.2	S2487	S2487-G2489 VanDerWaalsContact C-N 3.33Å; S2487-G2489 PolarHBondContact O-N 3.3Å
2490	G	71.9	Confident	73.7	Confident	19.6667 Å²	19.6667	57.6 Å²	57.6	20%	0.203	31%	0.305	C	S	.	.			trans	-101.8	162.1	179.1	0	0	0	0	0	113.7	D2345 Q2488 G2492 R2493	D2345-G2490 VanDerWaalsContact O-CA 3.28Å; D2345-G2490 WeakPolarHBondContact O-CA 3.24Å; D2345-G2490 VanDerWaalsContact OD1-C 3.23Å; D2345-G2490 VanDerWaalsContact OD1-CA 3.24Å; D2345-G2490 WeakPolarHBondContact OD1-CA 3.15Å; D2345-G2490 PolarHBondContact OD1-N 3.01Å; Q2488-G2490 PolarHBondContact O-N 3.33Å; G2490-G2492 PolarHBondContact O-N 3.39Å; G2490-G2492 VanDerWaalsContact O-N 3.16Å; G2490-R2493 WeakPolarHBondContact O-CB 3.31Å; G2490-R2493 PolarHBondContact O-N 3.43Å
2491	L	69.5	Low	75.6	Confident	175.667 Å²	175.667	55.7 Å²	55.7	92%	0.92	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-0.8	-177.2	-70.6	170.4	0	0	0	113.8
2492	G	74.1	Confident	77.2	Confident	17.3333 Å²	17.3333	53.8 Å²	53.8	18%	0.179	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	3.9	177.2	0	0	0	0	0	115.5	G2343 N2344 D2345 G2490 Q2494	G2343-G2492 WeakPolarHBondContact CA-O 3.38Å; N2344-G2492 PolarHBondContact N-O 3.2Å; N2344-G2492 CarbonylContact O-C 3.53Å; N2344-G2492 WeakPolarHBondContact O-CA 3.28Å; N2344-G2492 PolarHBondContact O-N 3.38Å; D2345-G2492 VanDerWaalsContact OD1-CA 3.32Å; D2345-G2492 WeakPolarHBondContact OD1-CA 3Å; D2345-G2492 PolarHBondContact OD1-N 2.99Å; G2490-G2492 PolarHBondContact O-N 3.39Å; G2490-G2492 VanDerWaalsContact O-N 3.16Å; G2492-Q2494 PolarHBondContact O-N 3.32Å
2493	R	82.2	Confident	78.7	Confident	24.6667 Å²	24.6667	52.1 Å²	52.1	9%	0.093	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	122.5	-174.2	-172.2	174.5	-91.9	-164.5	-0.8	112.4	N2016 T2017 Y2341 N2344 D2345 Y2486 S2487 G2490 L2495	N2016-R2493 PolarHBondContact O-NH2 3.29Å; N2016-R2493 VanDerWaalsContact O-NH2 3.15Å; T2017-R2493 PolarHBondContact O-NH2 3.35Å; Y2341-R2493 HydrophobicContact CD1-CG 4.25Å; Y2341-R2493 HydrophobicContact CG-CG 4.14Å; N2344-R2493 PolarHBondContact O-N 3.06Å; D2345-R2493 VanDerWaalsContact CG-NH2 3.29Å; D2345-R2493 WeakPolarHBondContact OD1-CA 3.25Å; D2345-R2493 IonicContact OD1-CZ 3.46Å; D2345-R2493 VanDerWaalsContact OD1-CZ 3.27Å; D2345-R2493 PolarHBondContact OD1-N 3.46Å; D2345-R2493 IonicContact OD1-NE 2.91Å; D2345-R2493 PolarHBondContact OD1-NE 3.05Å; D2345-R2493 IonicContact OD1-NH2 2.89Å; D2345-R2493 PolarHBondContact OD1-NH2 3.17Å; D2345-R2493 WeakPolarHBondContact OD2-CA 3.37Å; D2345-R2493 WeakPolarHBondContact OD2-CB 3.47Å; D2345-R2493 WeakPolarHBondContact OD2-CG 3.24Å; D2345-R2493 IonicContact OD2-CZ 3.78Å; D2345-R2493 IonicContact OD2-NE 3.15Å; D2345-R2493 PolarHBondContact OD2-NE 2.84Å; D2345-R2493 IonicContact OD2-NH2 3.46Å; D2345-R2493 PolarHBondContact OD2-NH2 3.04Å; Y2486-R2493 PolarHBondContact O-NH1 3.37Å; S2487-R2493 PolarHBondContact O-NH1 2.7Å; G2490-R2493 WeakPolarHBondContact O-CB 3.31Å; G2490-R2493 PolarHBondContact O-N 3.43Å; R2493-L2495 HydrophobicContact CG-CD2 4.09Å; R2493-L2495 PolarHBondContact O-N 3.13Å
2494	Q	83	Confident	80	Confident	86.3333 Å²	86.3333	48.3 Å²	48.3	40%	0.403	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	92.5	173.2	-63.2	179.6	-3	0	0	110	G2342 G2492 D2496 N2497	G2342-Q2494 WeakPolarHBondContact O-CB 3.35Å; G2342-Q2494 PolarHBondContact O-N 3.19Å; G2492-Q2494 PolarHBondContact O-N 3.32Å; Q2494-D2496 PolarHBondContact O-N 3.17Å; Q2494-N2497 HydrophobicContact CB-CB 4.16Å; Q2494-N2497 PolarHBondContact O-N 2.94Å; Q2494-N2497 VanDerWaalsContact O-N 3.11Å; Q2494-N2497 PolarHBondContact OE1-ND2 3.08Å
2495	L	82.7	Confident	81.2	Confident	85.6667 Å²	85.6667	50.7 Å²	50.7	45%	0.449	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	-26.5	178.7	-63.4	176.8	0	0	0	113.2	Y2341 S2487 R2493 N2497	Y2341-L2495 HydrophobicContact CD1-CD2 4.34Å; Y2341-L2495 HydrophobicContact CE1-CD2 3.96Å; S2487-L2495 WeakPolarHBondContact O-CD2 3.21Å; R2493-L2495 HydrophobicContact CG-CD2 4.09Å; R2493-L2495 PolarHBondContact O-N 3.13Å; L2495-N2497 VanDerWaalsContact C-N 3.29Å; L2495-N2497 PolarHBondContact O-N 3.04Å
2496	D	83.9	Confident	82.4	Confident	119.667 Å²	119.667	50.8 Å²	50.8	64%	0.64	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	-7.4	179.2	-59.9	-45.6	0	0	0	114.1	Q2494 S2560	Q2494-D2496 PolarHBondContact O-N 3.17Å; D2496-S2560 WeakPolarHBondContact O-CB 3.36Å; D2496-S2560 PolarHBondContact O-N 3.28Å; D2496-S2560 VanDerWaalsContact O-N 3.16Å; D2496-S2560 PolarHBondContact O-OG 2.87Å
2497	N	87	Confident	83.3	Confident	36.3333 Å²	36.3333	49.9 Å²	49.9	19%	0.194	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	93.3	-179.3	-72.8	-24.5	0	0	0	109.5	G2342 Q2494 L2495 S2560 F2699	G2342-N2497 PolarHBondContact N-O 3.01Å; Q2494-N2497 HydrophobicContact CB-CB 4.16Å; Q2494-N2497 PolarHBondContact O-N 2.94Å; Q2494-N2497 VanDerWaalsContact O-N 3.11Å; Q2494-N2497 PolarHBondContact OE1-ND2 3.08Å; L2495-N2497 VanDerWaalsContact C-N 3.29Å; L2495-N2497 PolarHBondContact O-N 3.04Å; N2497-S2560 PolarHBondContact OD1-N 2.88Å; N2497-S2560 PolarHBondContact OD1-OG 3.49Å; N2497-F2699 HydrophobicContact CB-CD2 4.09Å; N2497-F2699 HydrophobicContact CB-CE2 3.82Å; N2497-F2699 WeakPolarHBondContact O-CE2 3.5Å
2498	C	89.3	Confident	84.5	Confident	3.66667 Å²	3.66667	50 Å²	50	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	147.7	-175.1	-178.9	0	0	0	0	112.4	I2340 Y2341 R2558 V2559	I2340-C2498 CarbonylContact O-C 3.56Å; I2340-C2498 VanDerWaalsContact O-CA 3.25Å; I2340-C2498 WeakPolarHBondContact O-CA 3.34Å; I2340-C2498 PolarHBondContact O-SG 3Å; Y2341-C2498 HydrophobicContact CD1-CB 3.9Å; Y2341-C2498 HydrophobicContact CE1-CB 3.94Å; C2498-R2558 HydrophobicContact CB-CB 4.08Å; C2498-R2558 CarbonylContact O-C 3.52Å; C2498-R2558 VanDerWaalsContact O-CA 3.25Å; C2498-R2558 WeakPolarHBondContact O-CA 3.24Å; C2498-R2558 VanDerWaalsContact O-CB 3.29Å; C2498-R2558 WeakPolarHBondContact O-CB 3.46Å; C2498-R2558 PolarHBondContact O-N 2.98Å; C2498-V2559 PolarHBondContact O-N 3.07Å
2499	I	91.8	Very high	85.7	Confident	3.66667 Å²	3.66667	47 Å²	47	2%	0.019	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.9	164.7	-66.7	175.2	0	0	0	108.1	N2339 I2340 F2501 I2555 V2559 L2567 T2696 F2699 L2700	N2339-I2499 WeakPolarHBondContact CA-O 3.38Å; I2340-I2499 PolarHBondContact N-O 3.04Å; I2340-I2499 PolarHBondContact O-N 2.98Å; I2499-F2501 HydrophobicContact CB-CE2 4.38Å; I2499-F2501 HydrophobicContact CG2-CD2 4.09Å; I2499-F2501 HydrophobicContact CG2-CE2 3.56Å; I2499-F2501 HydrophobicContact CG2-CZ 4.12Å; I2499-I2555 HydrophobicContact CG2-CG2 3.5Å; I2499-I2555 VanDerWaalsContact CG2-CG2 3.48Å; I2499-V2559 HydrophobicContact CG1-CG2 4.26Å; I2499-L2567 HydrophobicContact CD1-CD1 4.38Å; I2499-T2696 HydrophobicContact CD1-CG2 3.64Å; I2499-T2696 HydrophobicContact CG1-CG2 4.25Å; I2499-F2699 HydrophobicContact CB-CE1 4.39Å; I2499-F2699 HydrophobicContact CD1-CD1 3.6Å; I2499-F2699 HydrophobicContact CD1-CE1 3.64Å; I2499-F2699 HydrophobicContact CG1-CD1 4.05Å; I2499-F2699 HydrophobicContact CG1-CE1 3.72Å; I2499-L2700 HydrophobicContact CD1-CD1 4.08Å; I2499-L2700 HydrophobicContact CD1-CD2 3.67Å; I2499-L2700 HydrophobicContact CD1-CG 3.69Å
2500	S	92.2	Very high	86.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	111.5	-175	152.2	0	0	0	0	111.2	E2337 W2338 N2339 N2502 I2556 R2558	E2337-S2500 WeakPolarHBondContact CG-OG 3.36Å; E2337-S2500 PolarHBondContact OE1-OG 3.06Å; W2338-S2500 CarbonylContact O-C 3.6Å; W2338-S2500 WeakPolarHBondContact O-CA 3.37Å; N2339-S2500 WeakPolarHBondContact OD1-CB 3.38Å; N2339-S2500 PolarHBondContact OD1-OG 2.84Å; S2500-N2502 PolarHBondContact O-ND2 2.98Å; S2500-N2502 PolarHBondContact OG-ND2 2.86Å; S2500-I2556 PolarHBondContact N-O 3.2Å; S2500-I2556 PolarHBondContact O-N 3.03Å; S2500-I2556 WeakPolarHBondContact OG-CB 3.49Å; S2500-R2558 VanDerWaalsContact CB-CZ 3.41Å; S2500-R2558 VanDerWaalsContact OG-CZ 3.26Å; S2500-R2558 PolarHBondContact OG-NE 3.24Å; S2500-R2558 PolarHBondContact OG-NH1 2.91Å; S2500-R2558 PolarHBondContact OG-NH2 2.99Å
2501	F	93.4	Very high	87.3	Confident	57.6667 Å²	57.6667	47.9 Å²	47.9	25%	0.253	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	111.3	177.3	-95.3	-100	0	0	0	109.1	E2337 W2338 I2340 I2499 I2503 I2553 I2555	E2337-F2501 WeakPolarHBondContact CA-O 3.12Å; W2338-F2501 HydrophobicContact CB-CB 4.33Å; W2338-F2501 HydrophobicContact CB-CD1 4.31Å; W2338-F2501 HydrophobicContact CE3-CD1 4.3Å; W2338-F2501 HydrophobicContact CE3-CD2 4.44Å; W2338-F2501 PolarHBondContact N-O 2.94Å; W2338-F2501 PolarHBondContact O-N 3.03Å; I2340-F2501 HydrophobicContact CD1-CD2 4.17Å; I2340-F2501 HydrophobicContact CD1-CE2 3.59Å; I2340-F2501 HydrophobicContact CD1-CZ 4.33Å; I2340-F2501 HydrophobicContact CG1-CD2 4.31Å; I2340-F2501 HydrophobicContact CG1-CE2 4.08Å; I2499-F2501 HydrophobicContact CB-CE2 4.38Å; I2499-F2501 HydrophobicContact CG2-CD2 4.09Å; I2499-F2501 HydrophobicContact CG2-CE2 3.56Å; I2499-F2501 HydrophobicContact CG2-CZ 4.12Å; F2501-I2503 HydrophobicContact CD1-CG1 4.43Å; F2501-I2503 HydrophobicContact CE1-CD1 3.51Å; F2501-I2503 HydrophobicContact CE1-CG1 3.56Å; F2501-I2503 HydrophobicContact CZ-CD1 3.81Å; F2501-I2503 HydrophobicContact CZ-CG1 3.85Å; F2501-I2553 HydrophobicContact CD2-CG2 4.45Å; F2501-I2553 HydrophobicContact CE2-CG2 3.75Å; F2501-I2553 HydrophobicContact CZ-CG2 3.93Å; F2501-I2555 HydrophobicContact CD1-CD1 3.78Å; F2501-I2555 HydrophobicContact CD1-CG1 3.73Å; F2501-I2555 HydrophobicContact CD1-CG2 4.28Å; F2501-I2555 HydrophobicContact CD2-CD1 3.97Å; F2501-I2555 HydrophobicContact CD2-CG1 3.79Å; F2501-I2555 HydrophobicContact CE1-CD1 3.54Å; F2501-I2555 VanDerWaalsContact CE1-CD1 3.5Å; F2501-I2555 HydrophobicContact CE1-CG1 3.98Å; F2501-I2555 HydrophobicContact CE1-CG2 4.2Å; F2501-I2555 HydrophobicContact CE2-CD1 4.47Å; F2501-I2555 HydrophobicContact CE2-CG1 4.45Å; F2501-I2555 HydrophobicContact CE2-CG2 4.47Å; F2501-I2555 HydrophobicContact CG-CG1 4.38Å; F2501-I2555 HydrophobicContact CG-CG2 4.43Å; F2501-I2555 HydrophobicContact CZ-CD1 4.4Å; F2501-I2555 HydrophobicContact CZ-CG2 4.32Å
2502	N	93.4	Very high	88.1	Confident	29 Å²	29	42.5 Å²	42.5	16%	0.155	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.9	-175.5	-67.6	-84.9	0	0	0	110.4	C2336 E2337 S2500 I2553 V2554 I2556	C2336-N2502 CarbonylContact O-C 3.56Å; C2336-N2502 WeakPolarHBondContact O-CA 3.36Å; E2337-N2502 WeakPolarHBondContact CA-OD1 3.28Å; E2337-N2502 VanDerWaalsContact CB-OD1 3.25Å; E2337-N2502 WeakPolarHBondContact CB-OD1 3.08Å; E2337-N2502 VanDerWaalsContact CG-OD1 3.24Å; E2337-N2502 WeakPolarHBondContact CG-OD1 3.31Å; S2500-N2502 PolarHBondContact O-ND2 2.98Å; S2500-N2502 PolarHBondContact OG-ND2 2.86Å; N2502-I2553 WeakPolarHBondContact O-CA 3.36Å; N2502-V2554 WeakPolarHBondContact CB-O 3.35Å; N2502-V2554 PolarHBondContact N-O 3.02Å; N2502-V2554 PolarHBondContact O-N 3.04Å; N2502-I2556 WeakPolarHBondContact ND2-CD1 3.42Å
2503	I	93	Very high	88.5	Confident	44.6667 Å²	44.6667	42.1 Å²	42.1	23%	0.229	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.4	171.1	-67.1	176.1	0	0	0	107.3	S2335 C2336 F2501 L2506 I2550 I2553	S2335-I2503 CarbonylContact C-O 3.54Å; S2335-I2503 VanDerWaalsContact CA-O 3.31Å; S2335-I2503 WeakPolarHBondContact CA-O 3.39Å; C2336-I2503 HydrophobicContact CB-CB 4.31Å; C2336-I2503 PolarHBondContact N-O 2.87Å; C2336-I2503 PolarHBondContact O-N 2.88Å; F2501-I2503 HydrophobicContact CD1-CG1 4.43Å; F2501-I2503 HydrophobicContact CE1-CD1 3.51Å; F2501-I2503 HydrophobicContact CE1-CG1 3.56Å; F2501-I2503 HydrophobicContact CZ-CD1 3.81Å; F2501-I2503 HydrophobicContact CZ-CG1 3.85Å; I2503-L2506 HydrophobicContact CG2-CB 3.99Å; I2503-L2506 HydrophobicContact CG2-CD1 4.15Å; I2503-I2550 HydrophobicContact CG2-CG2 3.78Å; I2503-I2553 HydrophobicContact CG1-CD1 4.45Å; I2503-I2553 HydrophobicContact CG1-CG1 4.34Å; I2503-I2553 HydrophobicContact CG1-CG2 4.28Å
2504	S	89.8	Confident	88.1	Confident	49.6667 Å²	49.6667	41.5 Å²	41.5	35%	0.347	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135	179.7	-55	0	0	0	0	111.7	L2506 S2552	S2504-L2506 VanDerWaalsContact C-N 3.33Å; S2504-L2506 PolarHBondContact O-N 3.04Å; S2504-S2552 PolarHBondContact N-O 3Å; S2504-S2552 VanDerWaalsContact N-O 3.11Å
2505	K	88.4	Confident	87.4	Confident	102 Å²	102	38 Å²	38	44%	0.443	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.8	39	173.3	-57.6	-175.8	153	-80.4	0	114.5	D2333 V2334 S2335 Y2507 P2551	D2333-K2505 VanDerWaalsContact CG-NZ 3.35Å; D2333-K2505 VanDerWaalsContact OD1-CB 3.27Å; D2333-K2505 WeakPolarHBondContact OD1-CB 3.42Å; D2333-K2505 VanDerWaalsContact OD1-CD 3.28Å; D2333-K2505 WeakPolarHBondContact OD1-CD 3.37Å; D2333-K2505 WeakPolarHBondContact OD1-CE 3.26Å; D2333-K2505 WeakPolarHBondContact OD1-CG 3.26Å; D2333-K2505 IonicContact OD1-NZ 2.73Å; D2333-K2505 PolarHBondContact OD1-NZ 2.99Å; D2333-K2505 IonicContact OD2-NZ 3.51Å; D2333-K2505 PolarHBondContact OD2-NZ 3.11Å; V2334-K2505 CarbonylContact O-C 3.56Å; V2334-K2505 PolarHBondContact O-N 2.84Å; S2335-K2505 PolarHBondContact OG-N 3.15Å; K2505-Y2507 PolarHBondContact O-N 2.99Å; K2505-P2551 HydrophobicContact CB-CB 4.36Å; K2505-P2551 HydrophobicContact CB-CG 3.95Å; K2505-P2551 WeakPolarHBondContact O-CD 3.42Å; K2505-P2551 WeakPolarHBondContact O-CG 3.38Å
2506	L	90.8	Very high	86.7	Confident	32.3333 Å²	32.3333	36.2 Å²	36.2	17%	0.169	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	128.6	172.9	177.9	122.6	0	0	0	110.3	L2331 D2333 V2334 I2503 S2504 F2508 I2548 I2550	L2331-L2506 HydrophobicContact CB-CD2 4.44Å; L2331-L2506 HydrophobicContact CD1-CD2 4.27Å; D2333-L2506 PolarHBondContact N-O 3.32Å; V2334-L2506 HydrophobicContact CB-CB 4.31Å; V2334-L2506 HydrophobicContact CG1-CD2 4.41Å; V2334-L2506 PolarHBondContact N-O 2.96Å; V2334-L2506 VanDerWaalsContact N-O 3.1Å; V2334-L2506 WeakPolarHBondContact O-CA 3.41Å; V2334-L2506 VanDerWaalsContact O-CB 3.28Å; V2334-L2506 WeakPolarHBondContact O-CB 3.42Å; V2334-L2506 PolarHBondContact O-N 3.17Å; I2503-L2506 HydrophobicContact CG2-CB 3.99Å; I2503-L2506 HydrophobicContact CG2-CD1 4.15Å; S2504-L2506 VanDerWaalsContact C-N 3.33Å; S2504-L2506 PolarHBondContact O-N 3.04Å; L2506-F2508 HydrophobicContact CD1-CB 4.33Å; L2506-F2508 HydrophobicContact CD2-CB 3.97Å; L2506-F2508 HydrophobicContact CG-CB 4.37Å; L2506-I2548 HydrophobicContact CD1-CG2 3.86Å; L2506-I2550 HydrophobicContact CD1-CD1 4.04Å; L2506-I2550 HydrophobicContact CD1-CG1 3.99Å; L2506-I2550 HydrophobicContact CG-CG1 4.3Å
2507	Y	91.2	Very high	85.5	Confident	25.6667 Å²	25.6667	31.1 Å²	31.1	10%	0.101	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.2	166	172	-93.8	0	0	0	108.6	L2314 F2315 T2330 L2331 Y2332 K2505 R2509 I2547 I2548 H2549	L2314-Y2507 HydrophobicContact CB-CE1 4.02Å; L2314-Y2507 HydrophobicContact CB-CE2 3.99Å; L2314-Y2507 HydrophobicContact CD1-CD1 4.01Å; L2314-Y2507 HydrophobicContact CD1-CD2 4.12Å; L2314-Y2507 HydrophobicContact CD1-CE1 4.03Å; L2314-Y2507 HydrophobicContact CD1-CE2 4.21Å; L2314-Y2507 HydrophobicContact CD1-CG 4.04Å; L2314-Y2507 HydrophobicContact CD2-CD1 4.44Å; L2314-Y2507 HydrophobicContact CD2-CE1 3.92Å; L2314-Y2507 HydrophobicContact CD2-CE2 4.42Å; L2314-Y2507 HydrophobicContact CG-CE1 4.2Å; L2314-Y2507 WeakPolarHBondContact O-CE2 3.45Å; L2314-Y2507 PolarHBondContact O-OH 2.92Å; F2315-Y2507 HydrophobicContact CE1-CE2 4.28Å; T2330-Y2507 HydrophobicContact CG2-CD2 4.34Å; T2330-Y2507 HydrophobicContact CG2-CE2 3.6Å; L2331-Y2507 CarbonylContact O-C 3.57Å; L2331-Y2507 VanDerWaalsContact O-CA 3.3Å; L2331-Y2507 WeakPolarHBondContact O-CA 3.18Å; L2331-Y2507 VanDerWaalsContact O-CD2 3.23Å; L2331-Y2507 WeakPolarHBondContact O-CD2 3.45Å; Y2332-Y2507 AromaticContact CD2-CD2 3.78Å; Y2332-Y2507 HydrophobicContact CD2-CD2 3.78Å; Y2332-Y2507 HydrophobicContact CD2-CE2 4.09Å; Y2332-Y2507 HydrophobicContact CE2-CD2 4.45Å; K2505-Y2507 PolarHBondContact O-N 2.99Å; Y2507-R2509 HydrophobicContact CE1-CB 4.09Å; Y2507-R2509 WeakPolarHBondContact OH-CD 3.31Å; Y2507-I2547 HydrophobicContact CD1-CG2 4.06Å; Y2507-I2547 HydrophobicContact CE1-CB 4.12Å; Y2507-I2547 HydrophobicContact CE1-CD1 4.45Å; Y2507-I2547 HydrophobicContact CE1-CG2 3.75Å; Y2507-I2548 CarbonylContact O-C 3.46Å; Y2507-I2548 WeakPolarHBondContact O-CA 3.32Å; Y2507-H2549 HydrophobicContact CD1-CB 4.29Å; Y2507-H2549 AromaticContact CD1-ND1 3.39Å; Y2507-H2549 WeakPolarHBondContact CD1-ND1 3.44Å; Y2507-H2549 AromaticContact CE1-ND1 3.86Å; Y2507-H2549 PolarHBondContact N-O 3.06Å; Y2507-H2549 PolarHBondContact O-N 3Å
2508	F	91.4	Very high	84.2	Confident	48 Å²	48	31.7 Å²	31.7	21%	0.211	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.9	175.8	171	-83.4	0	0	0	108.4	T2330 L2331 L2506 Q2510 L2546 I2547 I2548	T2330-F2508 CarbonylContact C-O 3.44Å; T2330-F2508 VanDerWaalsContact CA-O 3.26Å; T2330-F2508 WeakPolarHBondContact CA-O 3.4Å; L2331-F2508 HydrophobicContact CB-CB 4.03Å; L2331-F2508 HydrophobicContact CD1-CB 4.08Å; L2331-F2508 HydrophobicContact CD1-CD1 4.35Å; L2331-F2508 HydrophobicContact CD1-CG 4.33Å; L2331-F2508 HydrophobicContact CG-CB 4.06Å; L2331-F2508 HydrophobicContact CG-CD1 4.11Å; L2331-F2508 HydrophobicContact CG-CG 4.4Å; L2331-F2508 PolarHBondContact N-O 3.03Å; L2331-F2508 PolarHBondContact O-N 3.17Å; L2331-F2508 VanDerWaalsContact O-O 3.1Å; L2506-F2508 HydrophobicContact CD1-CB 4.33Å; L2506-F2508 HydrophobicContact CD2-CB 3.97Å; L2506-F2508 HydrophobicContact CG-CB 4.37Å; F2508-Q2510 HydrophobicContact CE1-CB 3.92Å; F2508-Q2510 HydrophobicContact CZ-CB 4.19Å; F2508-L2546 HydrophobicContact CE1-CD1 4.38Å; F2508-L2546 HydrophobicContact CE2-CD1 3.71Å; F2508-L2546 HydrophobicContact CE2-CD2 4.35Å; F2508-L2546 HydrophobicContact CE2-CG 4.28Å; F2508-L2546 HydrophobicContact CZ-CD1 3.58Å; F2508-L2546 HydrophobicContact CZ-CD2 4.11Å; F2508-I2547 CarbonylContact C-O 3.5Å; F2508-I2547 VanDerWaalsContact CA-O 3.29Å; F2508-I2547 WeakPolarHBondContact CA-O 3.44Å; F2508-I2547 WeakPolarHBondContact CD2-O 3.01Å; F2508-I2548 HydrophobicContact CD2-CD1 4.02Å; F2508-I2548 HydrophobicContact CD2-CG1 3.85Å; F2508-I2548 HydrophobicContact CE2-CD1 4.25Å; F2508-I2548 HydrophobicContact CE2-CG1 4.33Å
2509	R	89.9	Confident	82.4	Confident	15.3333 Å²	15.3333	34.4 Å²	34.4	6%	0.058	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.8	171.1	-175.5	170.5	-179.1	159.7	-2	110.6	L2314 F2315 I2316 D2317 I2329 T2330 Y2507 L2546 I2547	L2314-R2509 PolarHBondContact O-NH1 2.77Å; F2315-R2509 VanDerWaalsContact O-CZ 3.29Å; F2315-R2509 PolarHBondContact O-NH1 3.27Å; F2315-R2509 VanDerWaalsContact O-NH1 3.16Å; F2315-R2509 PolarHBondContact O-NH2 2.91Å; I2316-R2509 PolarHBondContact O-NH1 3.1Å; I2316-R2509 PolarHBondContact O-NH2 3.23Å; D2317-R2509 IonicContact OD1-CZ 2.67Å; D2317-R2509 IonicContact OD1-NE 2.78Å; D2317-R2509 IonicContact OD1-NH2 3.19Å; D2317-R2509 PolarHBondContact OD1-NH2 2.85Å; D2317-R2509 IonicContact OD2-CZ 2.82Å; D2317-R2509 VanDerWaalsContact OD2-CZ 3.25Å; D2317-R2509 IonicContact OD2-NE 3.88Å; D2317-R2509 PolarHBondContact OD2-NE 2.92Å; D2317-R2509 IonicContact OD2-NH2 2.75Å; D2317-R2509 PolarHBondContact OD2-NH2 3.05Å; I2329-R2509 CarbonylContact O-C 3.56Å; I2329-R2509 WeakPolarHBondContact O-CA 3.38Å; T2330-R2509 HydrophobicContact CG2-CB 4.2Å; T2330-R2509 HydrophobicContact CG2-CG 4.17Å; T2330-R2509 WeakPolarHBondContact OG1-CG 3.48Å; T2330-R2509 PolarHBondContact OG1-NH1 3.49Å; Y2507-R2509 HydrophobicContact CE1-CB 4.09Å; Y2507-R2509 WeakPolarHBondContact OH-CD 3.31Å; R2509-L2546 CarbonylContact O-C 3.53Å; R2509-L2546 VanDerWaalsContact O-CA 3.28Å; R2509-L2546 WeakPolarHBondContact O-CA 3.24Å; R2509-I2547 HydrophobicContact CB-CB 4.15Å; R2509-I2547 HydrophobicContact CB-CD1 4.2Å; R2509-I2547 HydrophobicContact CB-CG1 4.49Å; R2509-I2547 HydrophobicContact CB-CG2 3.63Å; R2509-I2547 HydrophobicContact CG-CD1 4.39Å; R2509-I2547 PolarHBondContact N-O 3.1Å; R2509-I2547 VanDerWaalsContact O-CB 3.32Å; R2509-I2547 WeakPolarHBondContact O-CB 3.46Å; R2509-I2547 PolarHBondContact O-N 3.08Å
2510	Q	90.1	Very high	80.1	Confident	44.6667 Å²	44.6667	35.7 Å²	35.7	21%	0.209	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.9	164.8	179.7	175.4	18.1	0	0	108	A2328 I2329 F2508 Q2544 R2545 L2546	A2328-Q2510 CarbonylContact C-O 3.52Å; A2328-Q2510 VanDerWaalsContact CA-O 3.28Å; A2328-Q2510 WeakPolarHBondContact CA-O 3.42Å; I2329-Q2510 HydrophobicContact CB-CB 4.38Å; I2329-Q2510 PolarHBondContact N-O 3.22Å; I2329-Q2510 PolarHBondContact O-N 2.91Å; F2508-Q2510 HydrophobicContact CE1-CB 3.92Å; F2508-Q2510 HydrophobicContact CZ-CB 4.19Å; Q2510-Q2544 HydrophobicContact CG-CG 4.45Å; Q2510-R2545 CarbonylContact C-O 3.59Å; Q2510-R2545 WeakPolarHBondContact CA-O 3.32Å; Q2510-L2546 HydrophobicContact CB-CD1 3.88Å; Q2510-L2546 HydrophobicContact CB-CD2 3.65Å; Q2510-L2546 HydrophobicContact CG-CD1 4.1Å; Q2510-L2546 HydrophobicContact CG-CD2 3.6Å
2511	A	87	Confident	77.6	Confident	3.66667 Å²	3.66667	40.5 Å²	40.5	3%	0.03	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.8	174.3	0	0	0	0	0	109.6	P2325 L2327 F2513 Q2544 R2545	P2325-A2511 HydrophobicContact CB-CB 4.18Å; L2327-A2511 CarbonylContact O-C 3.55Å; L2327-A2511 VanDerWaalsContact O-CA 3.27Å; L2327-A2511 WeakPolarHBondContact O-CA 3.37Å; A2511-F2513 HydrophobicContact CB-CE1 4.32Å; A2511-F2513 HydrophobicContact CB-CE2 4.07Å; A2511-F2513 HydrophobicContact CB-CZ 3.8Å; A2511-Q2544 CarbonylContact O-C 3.41Å; A2511-Q2544 VanDerWaalsContact O-CA 3.28Å; A2511-Q2544 WeakPolarHBondContact O-CA 3.47Å; A2511-Q2544 WeakPolarHBondContact O-CG 3.44Å; A2511-R2545 PolarHBondContact N-O 3.02Å; A2511-R2545 PolarHBondContact O-N 3.11Å
2512	K	85.3	Confident	75.1	Confident	62.3333 Å²	62.3333	44 Å²	44	27%	0.271	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.1	168	-61.4	-172	-178.7	-177.1	0	109.5	P2325 L2326 L2327 Q2544	P2325-K2512 CarbonylContact C-O 3.57Å; P2325-K2512 VanDerWaalsContact CA-O 3.26Å; P2325-K2512 WeakPolarHBondContact CA-O 3.47Å; P2325-K2512 WeakPolarHBondContact CB-O 3.46Å; L2326-K2512 PolarHBondContact N-O 2.98Å; L2327-K2512 HydrophobicContact CB-CB 4.27Å; L2327-K2512 HydrophobicContact CB-CG 4.45Å; L2327-K2512 HydrophobicContact CD2-CD 4.17Å; L2327-K2512 HydrophobicContact CD2-CG 4.43Å; L2327-K2512 PolarHBondContact N-O 3.44Å; L2327-K2512 PolarHBondContact O-N 3.26Å; K2512-Q2544 VanDerWaalsContact CE-OE1 3.22Å; K2512-Q2544 HydrophobicContact CG-CB 4.49Å; K2512-Q2544 HydrophobicContact CG-CG 4.18Å
2513	F	82.1	Confident	72.4	Confident	10 Å²	10	51.4 Å²	51.4	4%	0.044	25%	0.248	C	C	.	.			trans	-113.8	156.2	-176	-60.1	-76.1	0	0	0	110.9	P2318 Y2322 P2323 P2325 A2511 A2515 P2542 F2543 R2545	P2318-F2513 HydrophobicContact CG-CE1 3.79Å; P2318-F2513 HydrophobicContact CG-CZ 3.92Å; Y2322-F2513 AromaticContact CD1-CE2 3.83Å; Y2322-F2513 HydrophobicContact CD1-CE2 3.83Å; Y2322-F2513 AromaticContact CD1-CZ 3.75Å; Y2322-F2513 HydrophobicContact CD1-CZ 3.75Å; Y2322-F2513 HydrophobicContact CG-CZ 4.07Å; P2323-F2513 HydrophobicContact CB-CD1 4.28Å; P2323-F2513 HydrophobicContact CG-CB 3.99Å; P2323-F2513 HydrophobicContact CG-CD1 4.02Å; P2323-F2513 HydrophobicContact CG-CG 4.16Å; P2323-F2513 VanDerWaalsContact O-CD1 3.26Å; P2323-F2513 WeakPolarHBondContact O-CD1 3.41Å; P2323-F2513 VanDerWaalsContact O-CE1 3.23Å; P2323-F2513 WeakPolarHBondContact O-CE1 3.36Å; P2325-F2513 HydrophobicContact CB-CD1 4.04Å; P2325-F2513 HydrophobicContact CB-CE1 3.91Å; P2325-F2513 HydrophobicContact CB-CZ 4.47Å; P2325-F2513 HydrophobicContact CG-CE1 4.46Å; A2511-F2513 HydrophobicContact CB-CE1 4.32Å; A2511-F2513 HydrophobicContact CB-CE2 4.07Å; A2511-F2513 HydrophobicContact CB-CZ 3.8Å; F2513-A2515 PolarHBondContact O-N 2.95Å; F2513-P2542 VanDerWaalsContact CB-O 3.27Å; F2513-P2542 WeakPolarHBondContact CB-O 3.43Å; F2513-P2542 HydrophobicContact CD2-CG 4.36Å; F2513-P2542 VanDerWaalsContact CD2-O 3.27Å; F2513-P2542 WeakPolarHBondContact CD2-O 3.21Å; F2513-F2543 PolarHBondContact N-O 2.97Å; F2513-R2545 HydrophobicContact CE2-CB 3.88Å; F2513-R2545 HydrophobicContact CZ-CB 4.33Å
2514	P	74.1	Confident	69.5	Low	12 Å²	12	60 Å²	60	8%	0.078	28%	0.277	C	S	.	.			trans	-66.7	130.7	169.8	28.7	-32.1	0	0	0	109.6	P2323 R2324 L2326 R2516 Y2670	P2323-P2514 HydrophobicContact CB-CG 4.16Å; R2324-P2514 WeakPolarHBondContact O-CD 3.44Å; L2326-P2514 HydrophobicContact CD1-CB 4.04Å; L2326-P2514 HydrophobicContact CG-CB 4.33Å; L2326-P2514 HydrophobicContact CG-CG 4.49Å; P2514-R2516 HydrophobicContact CB-CG 4.33Å; P2514-R2516 HydrophobicContact CG-CG 4.43Å; P2514-R2516 VanDerWaalsContact CG-CZ 3.49Å; P2514-R2516 PolarHBondContact O-N 3.19Å; P2514-R2516 VanDerWaalsContact O-N 3.1Å; P2514-Y2670 HydrophobicContact CB-CD1 4.42Å; P2514-Y2670 HydrophobicContact CB-CE1 4.05Å
2515	A	69.1	Low	66.9	Low	11.3333 Å²	11.3333	66.9 Å²	66.9	9%	0.094	30%	0.304	C	S	.	.			trans	-68	105	176.7	0	0	0	0	0	109.9	F2513 F2543 Y2670 L2671	F2513-A2515 PolarHBondContact O-N 2.95Å; A2515-F2543 HydrophobicContact CB-CD2 4.45Å; A2515-Y2670 WeakPolarHBondContact O-CA 3.39Å; A2515-L2671 HydrophobicContact CB-CB 4.12Å; A2515-L2671 PolarHBondContact O-N 3.15Å
2516	R	67.2	Low	64.3	Low	49 Å²	49	71 Å²	71	19%	0.185	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.2	-176.1	-73.3	179.4	178.6	158.5	0.1	111.7	P2514 V2540 D2541 Y2668 I2669 Y2670	P2514-R2516 HydrophobicContact CB-CG 4.33Å; P2514-R2516 HydrophobicContact CG-CG 4.43Å; P2514-R2516 VanDerWaalsContact CG-CZ 3.49Å; P2514-R2516 PolarHBondContact O-N 3.19Å; P2514-R2516 VanDerWaalsContact O-N 3.1Å; R2516-V2540 VanDerWaalsContact O-CG1 3.26Å; R2516-V2540 WeakPolarHBondContact O-CG1 3.43Å; R2516-D2541 HydrophobicContact CB-CB 4.41Å; R2516-D2541 PolarHBondContact O-N 3.07Å; R2516-Y2668 HydrophobicContact CB-CD1 4.22Å; R2516-Y2668 HydrophobicContact CG-CD1 4.44Å; R2516-I2669 WeakPolarHBondContact CA-O 3.3Å; R2516-Y2670 HydrophobicContact CG-CD1 3.93Å; R2516-Y2670 HydrophobicContact CG-CE1 3.74Å; R2516-Y2670 VanDerWaalsContact NE-CE1 3.32Å; R2516-Y2670 PolarHBondContact NE-OH 3.11Å; R2516-Y2670 PolarHBondContact NH2-OH 2.77Å
2517	M	59	Low	61.6	Low	12.3333 Å²	12.3333	78.2 Å²	78.2	6%	0.061	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.3	173.1	-156	173.8	-169.2	0	0	109.3	L2538 V2540 I2601 Y2668 I2669 L2671	M2517-L2538 HydrophobicContact CE-CB 4.22Å; M2517-L2538 HydrophobicContact CE-CD1 3.75Å; M2517-L2538 HydrophobicContact CE-CD2 3.97Å; M2517-L2538 HydrophobicContact CE-CG 4.19Å; M2517-L2538 HydrophobicContact SD-CD2 4.06Å; M2517-V2540 HydrophobicContact CG-CG2 4.33Å; M2517-I2601 HydrophobicContact CE-CD1 3.75Å; M2517-I2601 HydrophobicContact CE-CG1 4.23Å; M2517-I2601 HydrophobicContact CE-CG2 4.42Å; M2517-Y2668 WeakPolarHBondContact O-CA 3.32Å; M2517-I2669 HydrophobicContact CB-CB 4.28Å; M2517-I2669 PolarHBondContact N-O 3.02Å; M2517-I2669 PolarHBondContact O-N 3.4Å; M2517-L2671 HydrophobicContact CB-CD1 3.93Å; M2517-L2671 HydrophobicContact CB-CG 3.99Å; M2517-L2671 HydrophobicContact CG-CD1 4.4Å; M2517-L2671 HydrophobicContact SD-CD1 4.3Å; M2517-L2671 HydrophobicContact SD-CD2 3.88Å; M2517-L2671 HydrophobicContact SD-CG 4.31Å
2518	K	59.5	Low	58.8	Low	49.6667 Å²	49.6667	85.4 Å²	85.4	22%	0.216	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.8	177.3	-102.3	164.9	179.4	161.1	0	109.7	I2321 S2520 T2539 D2541 F2666 Y2668	I2321-K2518 PolarHBondContact O-NZ 2.89Å; I2321-K2518 VanDerWaalsContact O-NZ 3.08Å; K2518-S2520 PolarHBondContact O-N 3.18Å; K2518-T2539 WeakPolarHBondContact CB-O 3.42Å; K2518-T2539 WeakPolarHBondContact CB-OG1 3.34Å; K2518-T2539 PolarHBondContact N-O 3.32Å; K2518-T2539 PolarHBondContact O-N 2.82Å; K2518-D2541 WeakPolarHBondContact CE-OD1 3.42Å; K2518-D2541 VanDerWaalsContact CE-OD2 3.24Å; K2518-D2541 WeakPolarHBondContact CE-OD2 3.33Å; K2518-D2541 IonicContact NZ-OD1 3.02Å; K2518-D2541 PolarHBondContact NZ-OD1 3.18Å; K2518-D2541 IonicContact NZ-OD2 3.41Å; K2518-D2541 PolarHBondContact NZ-OD2 3.33Å; K2518-F2666 HydrophobicContact CD-CD1 4.47Å; K2518-F2666 VanDerWaalsContact CE-CG 3.43Å; K2518-Y2668 HydrophobicContact CB-CD1 4.31Å; K2518-Y2668 HydrophobicContact CB-CE1 4.18Å; K2518-Y2668 HydrophobicContact CD-CE1 4.17Å; K2518-Y2668 HydrophobicContact CG-CD1 3.97Å; K2518-Y2668 HydrophobicContact CG-CE1 3.88Å
2519	K	51.1	Low	55.9	Low	59.6667 Å²	59.6667	89.9 Å²	89.9	26%	0.259	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	108	176.6	-170	179.1	-178.8	-176.7	0	109.7	I2521 D2667	K2519-I2521 PolarHBondContact O-N 3.03Å; K2519-D2667 PolarHBondContact N-O 2.87Å; K2519-D2667 IonicContact NZ-OD2 3.28Å
2520	S	44.9	Very low	52.9	Low	29.6667 Å²	29.6667	96.8 Å²	96.8	21%	0.207	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	107.7	175.7	52.1	0	0	0	0	111.2	K2518 S2537	K2518-S2520 PolarHBondContact O-N 3.18Å; S2520-S2537 WeakPolarHBondContact OG-CB 3.48Å; S2520-S2537 PolarHBondContact OG-O 3.31Å; S2520-S2537 PolarHBondContact OG-OG 3.14Å
2521	I	39.1	Very low	50.2	Low	101.667 Å²	101.667	99.9 Å²	99.9	52%	0.521	48%	0.482	S	S	.	.			trans	-90.7	119.9	171	-60.2	177.2	0	0	0	108.1	K2519 Q2523	K2519-I2521 PolarHBondContact O-N 3.03Å; I2521-Q2523 HydrophobicContact CG2-CG 4.34Å; I2521-Q2523 PolarHBondContact O-N 3.4Å
2522	H	41	Very low	47.4	Very low	131.333 Å²	131.333	106 Å²	106	61%	0.608	53%	0.525	S	S	*	.			trans	-99.5	84.5	168.8	-89.8	-0.6	0	0	0	109.9	R2524	H2522-R2524 VanDerWaalsContact C-N 3.3Å; H2522-R2524 PolarHBondContact O-N 3.08Å
2523	Q	36.1	Very low	45	Very low	183.667 Å²	183.667	111.1 Å²	111.1	86%	0.858	55%	0.55	S	S	*	.			trans	-66.8	96.1	157.6	-82.7	-177.8	-34.8	0	0	108.4	I2521	I2521-Q2523 HydrophobicContact CG2-CG 4.34Å; I2521-Q2523 PolarHBondContact O-N 3.4Å
2524	R	33.5	Very low	42.6	Very low	226.333 Å²	226.333	115.3 Å²	115.3	85%	0.854	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-73.1	129.9	153.9	-94.7	-175.9	172.1	177	-1.8	107.1	H2522	H2522-R2524 VanDerWaalsContact C-N 3.3Å; H2522-R2524 PolarHBondContact O-N 3.08Å
2525	Q	35.1	Very low	40.6	Very low	194.333 Å²	194.333	121.6 Å²	121.6	91%	0.908	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-61.6	144	168.9	-80	177.5	-49.5	0	0	109.9	Q2527	Q2525-Q2527 PolarHBondContact O-N 3.23Å; Q2525-Q2527 VanDerWaalsContact O-N 3.1Å
2526	E	32.7	Very low	39	Very low	188.333 Å²	188.333	126.4 Å²	126.4	88%	0.88	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-74.7	118.9	-174.4	-61.1	172.4	121.3	0	0	111
2527	Q	35	Very low	37.7	Very low	183 Å²	183	127 Å²	127	86%	0.855	64%	0.643	S	S	*	*			trans	-148.3	108.8	149.6	-102.2	171.5	40.6	0	0	110.7	Q2525	Q2525-Q2527 PolarHBondContact O-N 3.23Å; Q2525-Q2527 VanDerWaalsContact O-N 3.1Å
2528	Q	32.1	Very low	37.4	Very low	177.333 Å²	177.333	129.8 Å²	129.8	83%	0.829	66%	0.658	S	S	*	*	S	Bend	trans	73.6	123.2	161.2	-57	-171.4	0.2	0	0	120.1
2529	L	29.4	Very low	37.3	Very low	143 Å²	143	130.3 Å²	130.3	75%	0.749	67%	0.665	S	S	*	*			trans	66.1	101.2	152.7	-85.4	71	0	0	0	121	S2531	L2529-S2531 PolarHBondContact O-N 3.39Å
2530	N	28.1	Very low	38.1	Very low	160 Å²	160	128.7 Å²	128.7	86%	0.856	66%	0.661	S	S	*	*				52.3	70	120.3	-59.1	3.8	0	0	0	119.6
2531	S	32.5	Very low	39.5	Very low	108.333 Å²	108.333	128.1 Å²	128.1	76%	0.758	66%	0.655	S	S	*	*			trans	-150.2	110.1	146.6	62	0	0	0	0	111.8	L2529 Q2533	L2529-S2531 PolarHBondContact O-N 3.39Å; S2531-Q2533 VanDerWaalsContact C-N 3.3Å; S2531-Q2533 PolarHBondContact O-N 2.96Å
2532	S	29.2	Very low	41.5	Very low	132.667 Å²	132.667	123.8 Å²	123.8	93%	0.928	63%	0.634	S	S	*	*			trans	-84.5	66.9	-172.6	-23.6	0	0	0	0	113.3
2533	Q	33.9	Very low	43.5	Very low	170 Å²	170	119.4 Å²	119.4	79%	0.794	61%	0.613	S	S	*	*			trans	-137.2	116.1	171.6	-68.3	-169.9	-6.7	0	0	111.8	S2531 L2535	S2531-Q2533 VanDerWaalsContact C-N 3.3Å; S2531-Q2533 PolarHBondContact O-N 2.96Å; Q2533-L2535 PolarHBondContact O-N 3.26Å; Q2533-L2535 VanDerWaalsContact O-N 3.11Å
2534	S	32.3	Very low	45.9	Very low	97.3333 Å²	97.3333	112.2 Å²	112.2	68%	0.681	58%	0.579	S	S	*	*			trans	-49.6	99.1	175	55.5	0	0	0	0	113.9	F2536	S2534-F2536 WeakPolarHBondContact O-CD2 3.34Å; S2534-F2536 PolarHBondContact O-N 2.99Å; S2534-F2536 WeakPolarHBondContact OG-CE2 3.36Å
2535	L	32.7	Very low	48.4	Very low	144.667 Å²	144.667	103.4 Å²	103.4	76%	0.757	55%	0.546	S	S	*	.			trans	-91.9	72.3	173.7	-71.8	173	0	0	0	112.4	Q2533	Q2533-L2535 PolarHBondContact O-N 3.26Å; Q2533-L2535 VanDerWaalsContact O-N 3.11Å
2536	F	35.5	Very low	51.1	Low	111.333 Å²	111.333	95.9 Å²	95.9	49%	0.488	51%	0.512	S	S	.	.			trans	-93.3	131.1	169.4	-64.2	-69.6	0	0	0	110.9	S2534 I2610	S2534-F2536 WeakPolarHBondContact O-CD2 3.34Å; S2534-F2536 PolarHBondContact O-N 2.99Å; S2534-F2536 WeakPolarHBondContact OG-CE2 3.36Å; F2536-I2610 HydrophobicContact CE2-CG1 4.37Å
2537	S	39.6	Very low	53.8	Low	63 Å²	63	87.6 Å²	87.6	44%	0.441	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109	171.4	142.9	0	0	0	0	109.4	S2520	S2520-S2537 WeakPolarHBondContact OG-CB 3.48Å; S2520-S2537 PolarHBondContact OG-O 3.31Å; S2520-S2537 PolarHBondContact OG-OG 3.14Å
2538	L	51.4	Low	56.5	Low	69.6667 Å²	69.6667	80.4 Å²	80.4	37%	0.365	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126	176.5	-65.7	169.1	0	0	0	108.9	M2517	M2517-L2538 HydrophobicContact CE-CB 4.22Å; M2517-L2538 HydrophobicContact CE-CD1 3.75Å; M2517-L2538 HydrophobicContact CE-CD2 3.97Å; M2517-L2538 HydrophobicContact CE-CG 4.19Å; M2517-L2538 HydrophobicContact SD-CD2 4.06Å
2539	T	58.7	Low	59.3	Low	60.6667 Å²	60.6667	73.2 Å²	73.2	37%	0.372	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.5	174.8	56.8	0	0	0	0	109.6	K2518	K2518-T2539 WeakPolarHBondContact CB-O 3.42Å; K2518-T2539 WeakPolarHBondContact CB-OG1 3.34Å; K2518-T2539 PolarHBondContact N-O 3.32Å; K2518-T2539 PolarHBondContact O-N 2.82Å
2540	V	68.5	Low	62.3	Low	27.3333 Å²	27.3333	67.1 Å²	67.1	17%	0.166	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.8	-177.8	-160.6	0	0	0	0	109.4	R2516 M2517 P2599 I2601 L2671	R2516-V2540 VanDerWaalsContact O-CG1 3.26Å; R2516-V2540 WeakPolarHBondContact O-CG1 3.43Å; M2517-V2540 HydrophobicContact CG-CG2 4.33Å; V2540-P2599 HydrophobicContact CB-CG 4.28Å; V2540-P2599 HydrophobicContact CG1-CB 4.13Å; V2540-P2599 HydrophobicContact CG1-CG 3.63Å; V2540-I2601 HydrophobicContact CG2-CD1 3.78Å; V2540-I2601 HydrophobicContact CG2-CG1 4.15Å; V2540-L2671 HydrophobicContact CG1-CD1 3.82Å
2541	D	74.3	Confident	65.1	Low	16 Å²	16	62.1 Å²	62.1	9%	0.086	35%	0.351	C	S	.	.			trans	-72.8	146.8	172.9	-75	-31.1	0	0	0	110.9	P2323 R2516 K2518 P2599	P2323-D2541 HydrophobicContact CG-CB 4.06Å; R2516-D2541 HydrophobicContact CB-CB 4.41Å; R2516-D2541 PolarHBondContact O-N 3.07Å; K2518-D2541 WeakPolarHBondContact CE-OD1 3.42Å; K2518-D2541 VanDerWaalsContact CE-OD2 3.24Å; K2518-D2541 WeakPolarHBondContact CE-OD2 3.33Å; K2518-D2541 IonicContact NZ-OD1 3.02Å; K2518-D2541 PolarHBondContact NZ-OD1 3.18Å; K2518-D2541 IonicContact NZ-OD2 3.41Å; K2518-D2541 PolarHBondContact NZ-OD2 3.33Å; D2541-P2599 WeakPolarHBondContact O-CD 3.4Å
2542	P	80	Confident	67.7	Low	12 Å²	12	58.9 Å²	58.9	8%	0.078	33%	0.329	C	S	.	.			trans	-66.1	143.4	179.4	29.2	-35.9	0	0	0	110.9	Y2322 F2513 V2596 W2598	Y2322-P2542 HydrophobicContact CD1-CG 3.64Å; Y2322-P2542 HydrophobicContact CE1-CG 3.8Å; F2513-P2542 VanDerWaalsContact CB-O 3.27Å; F2513-P2542 WeakPolarHBondContact CB-O 3.43Å; F2513-P2542 HydrophobicContact CD2-CG 4.36Å; F2513-P2542 VanDerWaalsContact CD2-O 3.27Å; F2513-P2542 WeakPolarHBondContact CD2-O 3.21Å; P2542-V2596 HydrophobicContact CB-CG1 3.75Å; P2542-V2596 HydrophobicContact CG-CG1 4.5Å; P2542-W2598 HydrophobicContact CB-CD2 4.22Å; P2542-W2598 HydrophobicContact CB-CE3 3.86Å; P2542-W2598 HydrophobicContact CB-CH2 4.24Å; P2542-W2598 HydrophobicContact CB-CZ2 4.46Å; P2542-W2598 HydrophobicContact CB-CZ3 3.88Å; P2542-W2598 HydrophobicContact CG-CH2 4.36Å; P2542-W2598 HydrophobicContact CG-CZ3 4.24Å
2543	F	82.4	Confident	70.7	Confident	38.3333 Å²	38.3333	54 Å²	54	17%	0.168	29%	0.292	C	S	.	.	S	Bend	trans	-78.8	-41	-178.1	-179.3	-110.1	0	0	0	112.7	F2513 A2515 C2597 P2599 P2674 L2677	F2513-F2543 PolarHBondContact N-O 2.97Å; A2515-F2543 HydrophobicContact CB-CD2 4.45Å; F2543-C2597 PolarHBondContact N-O 3.02Å; F2543-P2599 HydrophobicContact CB-CG 4.09Å; F2543-P2674 HydrophobicContact CD1-CG 4.44Å; F2543-P2674 HydrophobicContact CD2-CG 3.93Å; F2543-P2674 HydrophobicContact CE2-CG 4.06Å; F2543-P2674 HydrophobicContact CG-CG 4.12Å; F2543-P2674 HydrophobicContact CZ-CG 4.36Å; F2543-L2677 HydrophobicContact CB-CD2 4.13Å; F2543-L2677 HydrophobicContact CD1-CD1 4.11Å; F2543-L2677 HydrophobicContact CD1-CD2 3.76Å; F2543-L2677 HydrophobicContact CE1-CD1 4.31Å; F2543-L2677 HydrophobicContact CE1-CD2 4.49Å; F2543-L2677 HydrophobicContact CG-CD2 4.13Å
2544	Q	86.5	Confident	73.5	Confident	33.3333 Å²	33.3333	47.2 Å²	47.2	16%	0.156	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	146	-178.6	-176.8	174.1	-51.7	0	0	111.6	Q2510 A2511 K2512 V2596 C2597	Q2510-Q2544 HydrophobicContact CG-CG 4.45Å; A2511-Q2544 CarbonylContact O-C 3.41Å; A2511-Q2544 VanDerWaalsContact O-CA 3.28Å; A2511-Q2544 WeakPolarHBondContact O-CA 3.47Å; A2511-Q2544 WeakPolarHBondContact O-CG 3.44Å; K2512-Q2544 VanDerWaalsContact CE-OE1 3.22Å; K2512-Q2544 HydrophobicContact CG-CB 4.49Å; K2512-Q2544 HydrophobicContact CG-CG 4.18Å; Q2544-V2596 WeakPolarHBondContact O-CA 3.27Å; Q2544-C2597 HydrophobicContact CB-CB 4.12Å; Q2544-C2597 PolarHBondContact N-O 3.26Å; Q2544-C2597 PolarHBondContact O-N 3.03Å
2545	R	87.5	Confident	76.5	Confident	41.6667 Å²	41.6667	43.7 Å²	43.7	16%	0.157	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.7	169.9	-177.5	175.3	177.6	-158.3	-3.4	110	D2110 E2235 D2317 Q2510 A2511 F2513 I2547 V2594 V2595 V2596	D2110-R2545 IonicContact OD1-NH2 3.54Å; D2110-R2545 PolarHBondContact OD1-NH2 3.42Å; E2235-R2545 VanDerWaalsContact CG-NH2 3.31Å; D2317-R2545 WeakPolarHBondContact OD1-CD 3.47Å; D2317-R2545 IonicContact OD1-CZ 3.28Å; D2317-R2545 IonicContact OD1-NH1 2.86Å; D2317-R2545 PolarHBondContact OD1-NH1 2.87Å; Q2510-R2545 CarbonylContact C-O 3.59Å; Q2510-R2545 WeakPolarHBondContact CA-O 3.32Å; A2511-R2545 PolarHBondContact N-O 3.02Å; A2511-R2545 PolarHBondContact O-N 3.11Å; F2513-R2545 HydrophobicContact CE2-CB 3.88Å; F2513-R2545 HydrophobicContact CZ-CB 4.33Å; R2545-I2547 HydrophobicContact CG-CD1 4.36Å; R2545-I2547 HydrophobicContact CG-CG1 4.21Å; R2545-V2594 HydrophobicContact CG-CG1 3.89Å; R2545-V2595 CarbonylContact C-O 3.53Å; R2545-V2595 VanDerWaalsContact CA-O 3.28Å; R2545-V2595 WeakPolarHBondContact CA-O 3.33Å; R2545-V2596 HydrophobicContact CG-CG2 4.36Å
2546	L	90.8	Very high	79.3	Confident	36.6667 Å²	36.6667	38.7 Å²	38.7	19%	0.192	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.1	167.4	-87.4	141.9	0	0	0	109	F2508 R2509 Q2510 I2548 M2593 V2594 V2595	F2508-L2546 HydrophobicContact CE1-CD1 4.38Å; F2508-L2546 HydrophobicContact CE2-CD1 3.71Å; F2508-L2546 HydrophobicContact CE2-CD2 4.35Å; F2508-L2546 HydrophobicContact CE2-CG 4.28Å; F2508-L2546 HydrophobicContact CZ-CD1 3.58Å; F2508-L2546 HydrophobicContact CZ-CD2 4.11Å; R2509-L2546 CarbonylContact O-C 3.53Å; R2509-L2546 VanDerWaalsContact O-CA 3.28Å; R2509-L2546 WeakPolarHBondContact O-CA 3.24Å; Q2510-L2546 HydrophobicContact CB-CD1 3.88Å; Q2510-L2546 HydrophobicContact CB-CD2 3.65Å; Q2510-L2546 HydrophobicContact CG-CD1 4.1Å; Q2510-L2546 HydrophobicContact CG-CD2 3.6Å; L2546-I2548 HydrophobicContact CD2-CD1 4.37Å; L2546-I2548 HydrophobicContact CD2-CG1 4.49Å; L2546-I2548 HydrophobicContact CG-CG1 4.5Å; L2546-M2593 HydrophobicContact CD2-CE 4.3Å; L2546-V2594 CarbonylContact O-C 3.34Å; L2546-V2594 WeakPolarHBondContact O-CA 3.24Å; L2546-V2594 WeakPolarHBondContact O-CB 3.47Å; L2546-V2594 WeakPolarHBondContact O-CG1 3.48Å; L2546-V2595 HydrophobicContact CB-CB 3.95Å; L2546-V2595 HydrophobicContact CB-CG2 4.2Å; L2546-V2595 HydrophobicContact CD1-CB 4.2Å; L2546-V2595 HydrophobicContact CD1-CG2 4.02Å; L2546-V2595 HydrophobicContact CD2-CG2 4.22Å; L2546-V2595 HydrophobicContact CG-CB 4.1Å; L2546-V2595 PolarHBondContact N-O 3.28Å; L2546-V2595 PolarHBondContact O-N 3.16Å; L2546-V2595 VanDerWaalsContact O-N 3.16Å
2547	I	90.2	Very high	82	Confident	12.3333 Å²	12.3333	33.6 Å²	33.6	6%	0.063	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.1	178.9	-59.3	174.3	0	0	0	107.5	E2235 Y2507 F2508 R2509 R2545 H2549 M2593 V2594	E2235-I2547 VanDerWaalsContact CD-CG1 3.44Å; E2235-I2547 VanDerWaalsContact CD-CG2 3.44Å; E2235-I2547 HydrophobicContact CG-CD1 4.34Å; E2235-I2547 HydrophobicContact CG-CG1 4.04Å; E2235-I2547 WeakPolarHBondContact OE1-CG2 3.31Å; E2235-I2547 WeakPolarHBondContact OE2-CG1 3.37Å; E2235-I2547 VanDerWaalsContact OE2-CG2 3.23Å; E2235-I2547 WeakPolarHBondContact OE2-CG2 3.36Å; Y2507-I2547 HydrophobicContact CD1-CG2 4.06Å; Y2507-I2547 HydrophobicContact CE1-CB 4.12Å; Y2507-I2547 HydrophobicContact CE1-CD1 4.45Å; Y2507-I2547 HydrophobicContact CE1-CG2 3.75Å; F2508-I2547 CarbonylContact C-O 3.5Å; F2508-I2547 VanDerWaalsContact CA-O 3.29Å; F2508-I2547 WeakPolarHBondContact CA-O 3.44Å; F2508-I2547 WeakPolarHBondContact CD2-O 3.01Å; R2509-I2547 HydrophobicContact CB-CB 4.15Å; R2509-I2547 HydrophobicContact CB-CD1 4.2Å; R2509-I2547 HydrophobicContact CB-CG1 4.49Å; R2509-I2547 HydrophobicContact CB-CG2 3.63Å; R2509-I2547 HydrophobicContact CG-CD1 4.39Å; R2509-I2547 PolarHBondContact N-O 3.1Å; R2509-I2547 VanDerWaalsContact O-CB 3.32Å; R2509-I2547 WeakPolarHBondContact O-CB 3.46Å; R2509-I2547 PolarHBondContact O-N 3.08Å; R2545-I2547 HydrophobicContact CG-CD1 4.36Å; R2545-I2547 HydrophobicContact CG-CG1 4.21Å; I2547-H2549 WeakPolarHBondContact CG2-CE1 3.44Å; I2547-M2593 CarbonylContact C-O 3.57Å; I2547-M2593 WeakPolarHBondContact CA-O 3.48Å; I2547-V2594 HydrophobicContact CG1-CG1 4.37Å; I2547-V2594 HydrophobicContact CG1-CG2 4.28Å; I2547-V2594 HydrophobicContact CG2-CG2 4.31Å
2548	I	91.7	Very high	84.4	Confident	33 Å²	33	35.2 Å²	35.2	17%	0.169	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.5	172.6	-42.6	-167.7	0	0	0	108.9	L2506 Y2507 F2508 L2546 I2550 R2592 M2593	L2506-I2548 HydrophobicContact CD1-CG2 3.86Å; Y2507-I2548 CarbonylContact O-C 3.46Å; Y2507-I2548 WeakPolarHBondContact O-CA 3.32Å; F2508-I2548 HydrophobicContact CD2-CD1 4.02Å; F2508-I2548 HydrophobicContact CD2-CG1 3.85Å; F2508-I2548 HydrophobicContact CE2-CD1 4.25Å; F2508-I2548 HydrophobicContact CE2-CG1 4.33Å; L2546-I2548 HydrophobicContact CD2-CD1 4.37Å; L2546-I2548 HydrophobicContact CD2-CG1 4.49Å; L2546-I2548 HydrophobicContact CG-CG1 4.5Å; I2548-I2550 HydrophobicContact CG2-CD1 4.23Å; I2548-I2550 HydrophobicContact CG2-CG1 4.06Å; I2548-R2592 CarbonylContact O-C 3.53Å; I2548-R2592 VanDerWaalsContact O-CA 3.3Å; I2548-R2592 WeakPolarHBondContact O-CA 3.34Å; I2548-M2593 HydrophobicContact CB-CB 4.27Å; I2548-M2593 HydrophobicContact CD1-CB 4.29Å; I2548-M2593 HydrophobicContact CD1-CE 3.6Å; I2548-M2593 VanDerWaalsContact CD1-CE 3.49Å; I2548-M2593 HydrophobicContact CD1-SD 4.13Å; I2548-M2593 HydrophobicContact CG1-CB 4.12Å; I2548-M2593 HydrophobicContact CG1-CE 4.13Å; I2548-M2593 PolarHBondContact N-O 3.17Å; I2548-M2593 PolarHBondContact O-N 3.16Å
2549	H	90.6	Very high	86.1	Confident	25.3333 Å²	25.3333	32.1 Å²	32.1	12%	0.117	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.3	168.8	-62.3	122.2	0	0	0	109	D2114 E2235 P2236 Y2507 I2547 L2591 R2592	D2114-H2549 IonicContact OD1-CE1 3.24Å; D2114-H2549 IonicContact OD2-CE1 3.36Å; D2114-H2549 IonicContact OD2-NE2 3.93Å; E2235-H2549 IonicContact OE1-CE1 3.72Å; E2235-H2549 PolarHBondContact OE1-CE1 2.85Å; E2235-H2549 IonicContact OE1-ND1 3.64Å; E2235-H2549 IonicContact OE1-NE2 2.79Å; E2235-H2549 IonicContact OE2-CE1 3.86Å; E2235-H2549 PolarHBondContact OE2-CE1 3.31Å; E2235-H2549 IonicContact OE2-NE2 2.84Å; E2235-H2549 PolarHBondContact OE2-NE2 2.86Å; P2236-H2549 WeakPolarHBondContact CB-NE2 3.34Å; Y2507-H2549 HydrophobicContact CD1-CB 4.29Å; Y2507-H2549 AromaticContact CD1-ND1 3.39Å; Y2507-H2549 WeakPolarHBondContact CD1-ND1 3.44Å; Y2507-H2549 AromaticContact CE1-ND1 3.86Å; Y2507-H2549 PolarHBondContact N-O 3.06Å; Y2507-H2549 PolarHBondContact O-N 3Å; I2547-H2549 WeakPolarHBondContact CG2-CE1 3.44Å; H2549-L2591 CarbonylContact C-O 3.54Å; H2549-L2591 WeakPolarHBondContact CA-O 3.39Å; H2549-R2592 PolarHBondContact CE1-NE 3.16Å; H2549-R2592 VanDerWaalsContact CE1-NE 3.32Å; H2549-R2592 PolarHBondContact NE2-NH2 3.15Å
2550	I	91.2	Very high	87.4	Confident	14.6667 Å²	14.6667	33.2 Å²	33.2	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	103	176.3	-48.1	-175.6	0	0	0	108.4	I2503 L2506 I2548 S2552 I2553 P2589 M2590 L2591	I2503-I2550 HydrophobicContact CG2-CG2 3.78Å; L2506-I2550 HydrophobicContact CD1-CD1 4.04Å; L2506-I2550 HydrophobicContact CD1-CG1 3.99Å; L2506-I2550 HydrophobicContact CG-CG1 4.3Å; I2548-I2550 HydrophobicContact CG2-CD1 4.23Å; I2548-I2550 HydrophobicContact CG2-CG1 4.06Å; I2550-S2552 WeakPolarHBondContact CG2-O 3.31Å; I2550-S2552 PolarHBondContact O-N 2.88Å; I2550-I2553 HydrophobicContact CB-CD1 4.36Å; I2550-I2553 HydrophobicContact CB-CG1 4.34Å; I2550-I2553 HydrophobicContact CD1-CD1 4.15Å; I2550-I2553 HydrophobicContact CG2-CD1 4.04Å; I2550-I2553 HydrophobicContact CG2-CG1 3.53Å; I2550-I2553 VanDerWaalsContact CG2-CG1 3.49Å; I2550-P2589 WeakPolarHBondContact O-CB 3.4Å; I2550-M2590 PolarHBondContact O-N 2.87Å; I2550-L2591 HydrophobicContact CB-CB 4.27Å; I2550-L2591 HydrophobicContact CD1-CD2 4.08Å; I2550-L2591 HydrophobicContact CG1-CB 4.39Å; I2550-L2591 HydrophobicContact CG1-CD2 4.27Å; I2550-L2591 PolarHBondContact N-O 3Å; I2550-L2591 PolarHBondContact O-N 3.19Å; I2550-L2591 VanDerWaalsContact O-N 3.09Å
2551	P	87.7	Confident	88.2	Confident	55.3333 Å²	55.3333	34.2 Å²	34.2	36%	0.359	19%	0.186	S	C	.	.	S	Bend	trans	-58	-43.8	-180	-29.9	38.6	0	0	0	113.7	K2505 P2589 M2590	K2505-P2551 HydrophobicContact CB-CB 4.36Å; K2505-P2551 HydrophobicContact CB-CG 3.95Å; K2505-P2551 WeakPolarHBondContact O-CD 3.42Å; K2505-P2551 WeakPolarHBondContact O-CG 3.38Å; P2551-P2589 HydrophobicContact CG-CB 4.45Å; P2551-M2590 WeakPolarHBondContact O-CB 3.3Å; P2551-M2590 WeakPolarHBondContact O-CG 3.37Å; P2551-M2590 PolarHBondContact O-N 3.16Å; P2551-M2590 VanDerWaalsContact O-N 3.15Å
2552	S	88.2	Confident	88.7	Confident	42 Å²	42	34.1 Å²	34.1	29%	0.294	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	134.4	-179.1	-175.3	0	0	0	0	111.8	S2504 I2550	S2504-S2552 PolarHBondContact N-O 3Å; S2504-S2552 VanDerWaalsContact N-O 3.11Å; I2550-S2552 WeakPolarHBondContact CG2-O 3.31Å; I2550-S2552 PolarHBondContact O-N 2.88Å
2553	I	91.7	Very high	89	Confident	29.6667 Å²	29.6667	38.8 Å²	38.8	15%	0.152	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.6	166.3	-52.3	179.2	0	0	0	106.8	F2501 N2502 I2503 I2550 L2568 M2590 L2591	F2501-I2553 HydrophobicContact CD2-CG2 4.45Å; F2501-I2553 HydrophobicContact CE2-CG2 3.75Å; F2501-I2553 HydrophobicContact CZ-CG2 3.93Å; N2502-I2553 WeakPolarHBondContact O-CA 3.36Å; I2503-I2553 HydrophobicContact CG1-CD1 4.45Å; I2503-I2553 HydrophobicContact CG1-CG1 4.34Å; I2503-I2553 HydrophobicContact CG1-CG2 4.28Å; I2550-I2553 HydrophobicContact CB-CD1 4.36Å; I2550-I2553 HydrophobicContact CB-CG1 4.34Å; I2550-I2553 HydrophobicContact CD1-CD1 4.15Å; I2550-I2553 HydrophobicContact CG2-CD1 4.04Å; I2550-I2553 HydrophobicContact CG2-CG1 3.53Å; I2550-I2553 VanDerWaalsContact CG2-CG1 3.49Å; I2553-L2568 HydrophobicContact CG2-CD2 4.29Å; I2553-M2590 HydrophobicContact CB-CE 3.81Å; I2553-M2590 HydrophobicContact CB-SD 4.13Å; I2553-M2590 HydrophobicContact CD1-CE 3.72Å; I2553-M2590 HydrophobicContact CG1-CE 3.72Å; I2553-M2590 HydrophobicContact CG1-SD 4.3Å; I2553-M2590 PolarHBondContact N-SD 3.03Å; I2553-M2590 VanDerWaalsContact O-CE 3.27Å; I2553-M2590 WeakPolarHBondContact O-CE 3.47Å; I2553-L2591 HydrophobicContact CD1-CB 4.3Å
2554	V	92.4	Very high	89.1	Confident	27.3333 Å²	27.3333	37.8 Å²	37.8	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.4	175.6	-176.3	0	0	0	0	109.1	N2502 I2556 Q2566 L2568	N2502-V2554 WeakPolarHBondContact CB-O 3.35Å; N2502-V2554 PolarHBondContact N-O 3.02Å; N2502-V2554 PolarHBondContact O-N 3.04Å; V2554-I2556 HydrophobicContact CG1-CG1 3.87Å; V2554-Q2566 HydrophobicContact CG1-CG 4.25Å; V2554-L2568 CarbonylContact C-O 3.56Å; V2554-L2568 WeakPolarHBondContact CA-O 3.41Å
2555	I	94.4	Very high	89.1	Confident	24 Å²	24	40.5 Å²	40.5	12%	0.123	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117	168.1	-53	178	0	0	0	107	I2499 F2501 Q2566 L2567 L2568	I2499-I2555 HydrophobicContact CG2-CG2 3.5Å; I2499-I2555 VanDerWaalsContact CG2-CG2 3.48Å; F2501-I2555 HydrophobicContact CD1-CD1 3.78Å; F2501-I2555 HydrophobicContact CD1-CG1 3.73Å; F2501-I2555 HydrophobicContact CD1-CG2 4.28Å; F2501-I2555 HydrophobicContact CD2-CD1 3.97Å; F2501-I2555 HydrophobicContact CD2-CG1 3.79Å; F2501-I2555 HydrophobicContact CE1-CD1 3.54Å; F2501-I2555 VanDerWaalsContact CE1-CD1 3.5Å; F2501-I2555 HydrophobicContact CE1-CG1 3.98Å; F2501-I2555 HydrophobicContact CE1-CG2 4.2Å; F2501-I2555 HydrophobicContact CE2-CD1 4.47Å; F2501-I2555 HydrophobicContact CE2-CG1 4.45Å; F2501-I2555 HydrophobicContact CE2-CG2 4.47Å; F2501-I2555 HydrophobicContact CG-CG1 4.38Å; F2501-I2555 HydrophobicContact CG-CG2 4.43Å; F2501-I2555 HydrophobicContact CZ-CD1 4.4Å; F2501-I2555 HydrophobicContact CZ-CG2 4.32Å; I2555-Q2566 CarbonylContact O-C 3.57Å; I2555-L2567 HydrophobicContact CB-CB 4.23Å; I2555-L2567 HydrophobicContact CB-CD2 4.25Å; I2555-L2567 HydrophobicContact CD1-CD2 4.31Å; I2555-L2567 HydrophobicContact CG2-CB 4.06Å; I2555-L2567 HydrophobicContact CG2-CD1 4.38Å; I2555-L2567 HydrophobicContact CG2-CD2 4.13Å; I2555-L2567 HydrophobicContact CG2-CG 4.41Å; I2555-L2567 PolarHBondContact O-N 2.92Å; I2555-L2568 HydrophobicContact CB-CB 3.95Å; I2555-L2568 HydrophobicContact CD1-CB 3.86Å; I2555-L2568 HydrophobicContact CD1-CD1 4.19Å; I2555-L2568 HydrophobicContact CD1-CD2 3.68Å; I2555-L2568 HydrophobicContact CD1-CG 4.41Å; I2555-L2568 HydrophobicContact CG1-CB 3.89Å; I2555-L2568 HydrophobicContact CG1-CD2 4.21Å; I2555-L2568 PolarHBondContact N-O 3.24Å; I2555-L2568 PolarHBondContact O-N 3.33Å
2556	I	92.8	Very high	89.2	Confident	39 Å²	39	41.7 Å²	41.7	20%	0.2	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.9	177.9	-55.4	179.4	0	0	0	108	S2500 N2502 V2554 R2558 N2565	S2500-I2556 PolarHBondContact N-O 3.2Å; S2500-I2556 PolarHBondContact O-N 3.03Å; S2500-I2556 WeakPolarHBondContact OG-CB 3.49Å; N2502-I2556 WeakPolarHBondContact ND2-CD1 3.42Å; V2554-I2556 HydrophobicContact CG1-CG1 3.87Å; I2556-R2558 HydrophobicContact CG2-CG 3.94Å; I2556-R2558 PolarHBondContact O-N 2.81Å; I2556-N2565 CarbonylContact C-O 3.52Å; I2556-N2565 WeakPolarHBondContact CA-O 3.39Å; I2556-N2565 VanDerWaalsContact CG2-O 3.29Å; I2556-N2565 WeakPolarHBondContact CG2-O 3.31Å
2557	D	92.2	Very high	89.2	Confident	4.66667 Å²	4.66667	40.7 Å²	40.7	3%	0.025	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.3	169	-179.8	-8.1	0	0	0	108.4	V2559 S2562 V2564 N2565 L2567 T2696 K3105	D2557-V2559 WeakPolarHBondContact OD1-CB 3.31Å; D2557-V2559 WeakPolarHBondContact OD1-CG2 3.25Å; D2557-V2559 PolarHBondContact OD1-N 3.05Å; D2557-S2562 VanDerWaalsContact OD2-CB 3.24Å; D2557-S2562 WeakPolarHBondContact OD2-CB 3.3Å; D2557-S2562 PolarHBondContact OD2-OG 3.15Å; D2557-V2564 HydrophobicContact CB-CG1 4.45Å; D2557-V2564 WeakPolarHBondContact CB-O 3.27Å; D2557-N2565 PolarHBondContact N-O 2.94Å; D2557-L2567 HydrophobicContact CB-CB 4.39Å; D2557-T2696 HydrophobicContact CB-CG2 4.39Å; D2557-T2696 WeakPolarHBondContact OD2-CB 3.45Å; D2557-T2696 VanDerWaalsContact OD2-CG2 3.3Å; D2557-T2696 WeakPolarHBondContact OD2-CG2 3.28Å; D2557-T2696 PolarHBondContact OD2-OG1 3.35Å; D2557-K3105 WeakPolarHBondContact O-CE 3.41Å; D2557-K3105 PolarHBondContact O-NZ 3.4Å; D2557-K3105 IonicContact OD1-NZ 2.7Å; D2557-K3105 PolarHBondContact OD1-NZ 3.23Å
2558	R	88.8	Confident	89.3	Confident	95.6667 Å²	95.6667	41.4 Å²	41.4	36%	0.361	23%	0.229	S	C	.	.			trans	-121	21.1	175.8	-57.7	-180	178.6	161.2	0.7	110.8	E2337 N2339 C2498 S2500 I2556 S2560	E2337-R2558 IonicContact OE1-CZ 3.05Å; E2337-R2558 VanDerWaalsContact OE1-CZ 3.29Å; E2337-R2558 IonicContact OE1-NH1 2.95Å; E2337-R2558 PolarHBondContact OE1-NH1 3.03Å; E2337-R2558 IonicContact OE1-NH2 3.25Å; E2337-R2558 PolarHBondContact OE1-NH2 3.28Å; N2339-R2558 PolarHBondContact OD1-NH1 2.88Å; C2498-R2558 HydrophobicContact CB-CB 4.08Å; C2498-R2558 CarbonylContact O-C 3.52Å; C2498-R2558 VanDerWaalsContact O-CA 3.25Å; C2498-R2558 WeakPolarHBondContact O-CA 3.24Å; C2498-R2558 VanDerWaalsContact O-CB 3.29Å; C2498-R2558 WeakPolarHBondContact O-CB 3.46Å; C2498-R2558 PolarHBondContact O-N 2.98Å; S2500-R2558 VanDerWaalsContact CB-CZ 3.41Å; S2500-R2558 VanDerWaalsContact OG-CZ 3.26Å; S2500-R2558 PolarHBondContact OG-NE 3.24Å; S2500-R2558 PolarHBondContact OG-NH1 2.91Å; S2500-R2558 PolarHBondContact OG-NH2 2.99Å; I2556-R2558 HydrophobicContact CG2-CG 3.94Å; I2556-R2558 PolarHBondContact O-N 2.81Å; R2558-S2560 PolarHBondContact O-N 3.16Å
2559	V	88.3	Confident	89.2	Confident	5.33333 Å²	5.33333	41.9 Å²	41.9	3%	0.032	23%	0.229	C	C	.	.			trans	-74.7	120.1	176.1	178.8	0	0	0	0	109	C2498 I2499 D2557 S2561 S2562 T2696 F2699 K3105	C2498-V2559 PolarHBondContact O-N 3.07Å; I2499-V2559 HydrophobicContact CG1-CG2 4.26Å; D2557-V2559 WeakPolarHBondContact OD1-CB 3.31Å; D2557-V2559 WeakPolarHBondContact OD1-CG2 3.25Å; D2557-V2559 PolarHBondContact OD1-N 3.05Å; V2559-S2561 PolarHBondContact O-N 3.04Å; V2559-S2561 VanDerWaalsContact O-N 3.12Å; V2559-S2562 VanDerWaalsContact O-CB 3.27Å; V2559-S2562 WeakPolarHBondContact O-CB 3.35Å; V2559-S2562 PolarHBondContact O-N 3.19Å; V2559-S2562 VanDerWaalsContact O-N 3.11Å; V2559-T2696 HydrophobicContact CG2-CG2 4.26Å; V2559-F2699 HydrophobicContact CG2-CB 4.49Å; V2559-F2699 HydrophobicContact CG2-CD1 4.13Å; V2559-F2699 HydrophobicContact CG2-CD2 4.2Å; V2559-F2699 HydrophobicContact CG2-CE2 4.47Å; V2559-F2699 HydrophobicContact CG2-CG 4.13Å; V2559-K3105 PolarHBondContact O-NZ 2.93Å
2560	S	85.1	Confident	88.9	Confident	84.3333 Å²	84.3333	41.8 Å²	41.8	59%	0.59	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.7	-173.2	58.2	0	0	0	0	115.7	D2496 N2497 R2558	D2496-S2560 WeakPolarHBondContact O-CB 3.36Å; D2496-S2560 PolarHBondContact O-N 3.28Å; D2496-S2560 VanDerWaalsContact O-N 3.16Å; D2496-S2560 PolarHBondContact O-OG 2.87Å; N2497-S2560 PolarHBondContact OD1-N 2.88Å; N2497-S2560 PolarHBondContact OD1-OG 3.49Å; R2558-S2560 PolarHBondContact O-N 3.16Å
2561	S	84.5	Confident	88.4	Confident	48 Å²	48	44.2 Å²	44.2	34%	0.336	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-6.8	178.4	53.5	0	0	0	0	114.5	V2559 Y2695	V2559-S2561 PolarHBondContact O-N 3.04Å; V2559-S2561 VanDerWaalsContact O-N 3.12Å; S2561-Y2695 VanDerWaalsContact CB-CD1 3.44Å; S2561-Y2695 WeakPolarHBondContact OG-CD1 3.35Å
2562	S	86.7	Confident	87.5	Confident	12.6667 Å²	12.6667	44.5 Å²	44.5	9%	0.089	24%	0.239	C	C	.	.			trans	-83	145.7	174.3	178.4	0	0	0	0	111	D2557 V2559 V2564 D2693 T2696 K3105	D2557-S2562 VanDerWaalsContact OD2-CB 3.24Å; D2557-S2562 WeakPolarHBondContact OD2-CB 3.3Å; D2557-S2562 PolarHBondContact OD2-OG 3.15Å; V2559-S2562 VanDerWaalsContact O-CB 3.27Å; V2559-S2562 WeakPolarHBondContact O-CB 3.35Å; V2559-S2562 PolarHBondContact O-N 3.19Å; V2559-S2562 VanDerWaalsContact O-N 3.11Å; S2562-V2564 VanDerWaalsContact C-N 3.32Å; S2562-V2564 PolarHBondContact OG-N 3.17Å; S2562-V2564 VanDerWaalsContact OG-N 3.1Å; S2562-V2564 PolarHBondContact OG-O 3.17Å; S2562-D2693 WeakPolarHBondContact CA-OD2 3.32Å; S2562-D2693 VanDerWaalsContact OG-CB 3.31Å; S2562-D2693 WeakPolarHBondContact OG-CB 3.24Å; S2562-D2693 PolarHBondContact OG-OD2 3.27Å; S2562-T2696 VanDerWaalsContact CB-OG1 3.29Å; S2562-T2696 WeakPolarHBondContact CB-OG1 3.42Å; S2562-T2696 PolarHBondContact OG-OG1 3.32Å; S2562-K3105 WeakPolarHBondContact O-CD 3.37Å; S2562-K3105 PolarHBondContact O-NZ 3.34Å
2563	N	85.1	Confident	85.9	Confident	111 Å²	111	48.1 Å²	48.1	59%	0.594	25%	0.246	S	C	*	.	S	Bend	trans	-97.2	1.3	169.4	-64.7	-52.2	0	0	0	112.1	D2693 R2811 W3104 K3105	N2563-D2693 PolarHBondContact N-OD2 3.05Å; N2563-R2811 PolarHBondContact OD1-NH1 3.03Å; N2563-R2811 PolarHBondContact OD1-NH2 3.28Å; N2563-W3104 HydrophobicContact CB-CE3 4.02Å; N2563-W3104 HydrophobicContact CB-CZ3 4.19Å; N2563-W3104 WeakPolarHBondContact O-CA 3.13Å; N2563-K3105 PolarHBondContact O-N 2.71Å
2564	V	84.6	Confident	83.9	Confident	17.6667 Å²	17.6667	51.1 Å²	51.1	11%	0.107	26%	0.262	C	S	.	.			trans	-94.7	136.6	179.2	175.6	0	0	0	0	109.4	D2557 S2562 Q2566 N2691 D2693 K3103 W3104 K3105	D2557-V2564 HydrophobicContact CB-CG1 4.45Å; D2557-V2564 WeakPolarHBondContact CB-O 3.27Å; S2562-V2564 VanDerWaalsContact C-N 3.32Å; S2562-V2564 PolarHBondContact OG-N 3.17Å; S2562-V2564 VanDerWaalsContact OG-N 3.1Å; S2562-V2564 PolarHBondContact OG-O 3.17Å; V2564-Q2566 WeakPolarHBondContact CG1-O 3.36Å; V2564-N2691 HydrophobicContact CG1-CB 3.59Å; V2564-N2691 HydrophobicContact CG2-CB 4.33Å; V2564-D2693 HydrophobicContact CB-CB 4.5Å; V2564-D2693 HydrophobicContact CG2-CB 4.03Å; V2564-K3103 CarbonylContact C-O 3.08Å; V2564-K3103 WeakPolarHBondContact CA-O 3.41Å; V2564-W3104 HydrophobicContact CG2-CZ3 4.22Å; V2564-K3105 WeakPolarHBondContact O-CE 3.38Å; V2564-K3105 PolarHBondContact O-NZ 3.44Å
2565	N	87.3	Confident	81.8	Confident	90 Å²	90	58 Å²	58	48%	0.481	29%	0.286	S	S	.	.	S	Bend	trans	-103	-41.5	176.6	-150.8	19.2	0	0	0	111.8	I2556 D2557 Q3102 K3103 K3105	I2556-N2565 CarbonylContact C-O 3.52Å; I2556-N2565 WeakPolarHBondContact CA-O 3.39Å; I2556-N2565 VanDerWaalsContact CG2-O 3.29Å; I2556-N2565 WeakPolarHBondContact CG2-O 3.31Å; D2557-N2565 PolarHBondContact N-O 2.94Å; N2565-Q3102 PolarHBondContact ND2-O 3.32Å; N2565-Q3102 VanDerWaalsContact ND2-O 3.16Å; N2565-K3103 PolarHBondContact N-O 2.69Å; N2565-K3105 HydrophobicContact CB-CG 3.9Å
2566	Q	89.3	Confident	79.3	Confident	67 Å²	67	58.7 Å²	58.7	31%	0.313	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111	178.6	-70.3	-178.5	-6.9	0	0	109.9	V2554 I2555 V2564 Y2569 N2691 Q3102	V2554-Q2566 HydrophobicContact CG1-CG 4.25Å; I2555-Q2566 CarbonylContact O-C 3.57Å; V2564-Q2566 WeakPolarHBondContact CG1-O 3.36Å; Q2566-Y2569 HydrophobicContact CB-CD1 4.04Å; Q2566-Y2569 HydrophobicContact CB-CE1 4.3Å; Q2566-N2691 WeakPolarHBondContact O-CB 3.38Å; Q2566-N2691 PolarHBondContact O-ND2 3.46Å; Q2566-Q3102 WeakPolarHBondContact CG-O 3.45Å
2567	L	91.3	Very high	76.7	Confident	16 Å²	16	62.9 Å²	62.9	8%	0.084	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-41.6	179.3	-175.9	156.7	0	0	0	111.7	I2499 I2555 D2557 I2690 N2691 L2692 T2696 L2700	I2499-L2567 HydrophobicContact CD1-CD1 4.38Å; I2555-L2567 HydrophobicContact CB-CB 4.23Å; I2555-L2567 HydrophobicContact CB-CD2 4.25Å; I2555-L2567 HydrophobicContact CD1-CD2 4.31Å; I2555-L2567 HydrophobicContact CG2-CB 4.06Å; I2555-L2567 HydrophobicContact CG2-CD1 4.38Å; I2555-L2567 HydrophobicContact CG2-CD2 4.13Å; I2555-L2567 HydrophobicContact CG2-CG 4.41Å; I2555-L2567 PolarHBondContact O-N 2.92Å; D2557-L2567 HydrophobicContact CB-CB 4.39Å; L2567-I2690 CarbonylContact O-C 3.58Å; L2567-I2690 VanDerWaalsContact O-CA 3.22Å; L2567-I2690 WeakPolarHBondContact O-CA 3.23Å; L2567-N2691 WeakPolarHBondContact CA-O 3.35Å; L2567-N2691 PolarHBondContact O-N 3.27Å; L2567-L2692 HydrophobicContact CD1-CD2 3.99Å; L2567-L2692 HydrophobicContact CD2-CD2 4.3Å; L2567-L2692 HydrophobicContact CG-CD2 3.95Å; L2567-T2696 HydrophobicContact CD1-CG2 3.87Å; L2567-L2700 HydrophobicContact CD1-CD1 4.38Å
2568	L	91.4	Very high	74.2	Confident	27.3333 Å²	27.3333	65.5 Å²	65.5	14%	0.143	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.2	177.3	177.4	95.5	0	0	0	110.2	I2553 V2554 I2555 L2688 K2689 I2690	I2553-L2568 HydrophobicContact CG2-CD2 4.29Å; V2554-L2568 CarbonylContact C-O 3.56Å; V2554-L2568 WeakPolarHBondContact CA-O 3.41Å; I2555-L2568 HydrophobicContact CB-CB 3.95Å; I2555-L2568 HydrophobicContact CD1-CB 3.86Å; I2555-L2568 HydrophobicContact CD1-CD1 4.19Å; I2555-L2568 HydrophobicContact CD1-CD2 3.68Å; I2555-L2568 HydrophobicContact CD1-CG 4.41Å; I2555-L2568 HydrophobicContact CG1-CB 3.89Å; I2555-L2568 HydrophobicContact CG1-CD2 4.21Å; I2555-L2568 PolarHBondContact N-O 3.24Å; I2555-L2568 PolarHBondContact O-N 3.33Å; L2568-L2688 HydrophobicContact CD1-CB 4.09Å; L2568-L2688 HydrophobicContact CD1-CD1 4.26Å; L2568-L2688 HydrophobicContact CD1-CD2 4.36Å; L2568-L2688 HydrophobicContact CD1-CG 4.46Å; L2568-K2689 WeakPolarHBondContact CA-O 3.44Å; L2568-I2690 HydrophobicContact CD1-CD1 4.36Å; L2568-I2690 HydrophobicContact CD1-CG1 3.63Å
2569	Y	88.8	Confident	72	Confident	42 Å²	42	65 Å²	65	17%	0.165	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	167	176	61.6	-71.4	0	0	0	111.7	Q2566 K2689 N2691	Q2566-Y2569 HydrophobicContact CB-CD1 4.04Å; Q2566-Y2569 HydrophobicContact CB-CE1 4.3Å; Y2569-K2689 HydrophobicContact CD1-CB 4.34Å; Y2569-K2689 WeakPolarHBondContact CD1-O 3.36Å; Y2569-K2689 HydrophobicContact CE1-CB 3.85Å; Y2569-K2689 HydrophobicContact CE1-CD 4.34Å; Y2569-K2689 HydrophobicContact CE1-CG 3.78Å; Y2569-K2689 HydrophobicContact CE2-CB 4.41Å; Y2569-K2689 PolarHBondContact N-O 2.78Å; Y2569-K2689 PolarHBondContact O-N 2.77Å; Y2569-K2689 WeakPolarHBondContact OH-CD 3.38Å; Y2569-N2691 WeakPolarHBondContact CE1-ND2 3.4Å
2570	S	86	Confident	69.4	Low	25 Å²	25	72.7 Å²	72.7	18%	0.175	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.8	174.1	-175.1	0	0	0	0	111.5	N2572 Q2686	S2570-N2572 VanDerWaalsContact C-N 3.35Å; S2570-N2572 PolarHBondContact O-N 2.93Å; S2570-Q2686 PolarHBondContact OG-OE1 3.17Å
2571	Y	80.2	Confident	67.3	Low	63.6667 Å²	63.6667	74.6 Å²	74.6	25%	0.25	39%	0.39	C	S	.	.			trans	-83.3	92.5	178.6	-179.2	-107.3	0	0	0	111.1	R2573 P2687 K2689 H2805	Y2571-R2573 HydrophobicContact CE1-CB 4.2Å; Y2571-R2573 HydrophobicContact CE1-CG 4.15Å; Y2571-R2573 PolarHBondContact O-N 3.13Å; Y2571-P2687 HydrophobicContact CD1-CB 4.33Å; Y2571-P2687 PolarHBondContact N-O 2.82Å; Y2571-K2689 HydrophobicContact CD2-CB 4.01Å; Y2571-K2689 HydrophobicContact CD2-CD 3.93Å; Y2571-K2689 HydrophobicContact CE2-CD 4.23Å; Y2571-K2689 HydrophobicContact CG-CB 4.41Å; Y2571-H2805 AromaticContact CD1-CD2 3.55Å; Y2571-H2805 AromaticContact CD1-NE2 3.55Å; Y2571-H2805 AromaticContact CE1-CD2 3.93Å; Y2571-H2805 AromaticContact CE1-CE1 3.96Å; Y2571-H2805 AromaticContact CE1-NE2 3.6Å; Y2571-H2805 AromaticContact CG-CD2 3.98Å
2572	N	68	Low	65.2	Low	62.3333 Å²	62.3333	78.3 Å²	78.3	33%	0.333	41%	0.405	S	S	.	.			trans	-79	99.7	178	-140.3	-29.1	0	0	0	111.6	S2570 N2574 Y2575	S2570-N2572 VanDerWaalsContact C-N 3.35Å; S2570-N2572 PolarHBondContact O-N 2.93Å; N2572-N2574 PolarHBondContact O-N 3.13Å; N2572-N2574 VanDerWaalsContact O-N 3.12Å; N2572-N2574 WeakPolarHBondContact OD1-CB 3.35Å; N2572-N2574 PolarHBondContact OD1-N 2.93Å; N2572-N2574 PolarHBondContact OD1-ND2 3.19Å; N2572-Y2575 HydrophobicContact CB-CD2 4.03Å; N2572-Y2575 HydrophobicContact CB-CE2 3.95Å; N2572-Y2575 WeakPolarHBondContact O-CD2 3.36Å; N2572-Y2575 PolarHBondContact O-N 2.93Å
2573	R	55.4	Low	62.9	Low	117 Å²	117	82.4 Å²	82.4	44%	0.442	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-62.2	-12.9	-176.4	-156.3	177.3	-164.7	168.5	8.4	114.8	Y2571 Y2575 S2576 D2912	Y2571-R2573 HydrophobicContact CE1-CB 4.2Å; Y2571-R2573 HydrophobicContact CE1-CG 4.15Å; Y2571-R2573 PolarHBondContact O-N 3.13Å; R2573-Y2575 PolarHBondContact O-N 3.11Å; R2573-S2576 WeakPolarHBondContact O-CB 3.5Å; R2573-S2576 PolarHBondContact O-N 3.14Å; R2573-S2576 VanDerWaalsContact O-N 3.12Å; R2573-D2912 IonicContact CZ-OD2 3.4Å; R2573-D2912 IonicContact NE-OD2 2.71Å; R2573-D2912 PolarHBondContact NE-OD2 2.89Å; R2573-D2912 IonicContact NH2-OD2 3.23Å; R2573-D2912 PolarHBondContact NH2-OD2 2.82Å
2574	N	50.1	Low	61.1	Low	93.6667 Å²	93.6667	80.9 Å²	80.9	50%	0.501	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-61.9	-8.5	179.3	-63.7	-22.5	0	0	0	114.4	N2572 H2584	N2572-N2574 PolarHBondContact O-N 3.13Å; N2572-N2574 VanDerWaalsContact O-N 3.12Å; N2572-N2574 WeakPolarHBondContact OD1-CB 3.35Å; N2572-N2574 PolarHBondContact OD1-N 2.93Å; N2572-N2574 PolarHBondContact OD1-ND2 3.19Å; N2574-H2584 PolarHBondContact ND2-O 3.27Å
2575	Y	48	Very low	59.5	Low	171 Å²	171	84.5 Å²	84.5	67%	0.671	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-94.8	8.1	173.3	-67.8	-70.1	0	0	0	114.4	N2572 R2573 P2577 R3093 E3095	N2572-Y2575 HydrophobicContact CB-CD2 4.03Å; N2572-Y2575 HydrophobicContact CB-CE2 3.95Å; N2572-Y2575 WeakPolarHBondContact O-CD2 3.36Å; N2572-Y2575 PolarHBondContact O-N 2.93Å; R2573-Y2575 PolarHBondContact O-N 3.11Å; Y2575-P2577 WeakPolarHBondContact O-CD 3.3Å; Y2575-R3093 PolarHBondContact O-NH2 3.36Å; Y2575-E3095 WeakPolarHBondContact CA-OE1 3.19Å; Y2575-E3095 HydrophobicContact CD1-CB 4.16Å; Y2575-E3095 HydrophobicContact CD1-CG 3.82Å; Y2575-E3095 HydrophobicContact CG-CB 4.27Å; Y2575-E3095 HydrophobicContact CG-CG 4.32Å; Y2575-E3095 VanDerWaalsContact O-OE2 3.13Å
2576	S	41.4	Very low	57.9	Low	39 Å²	39	86.7 Å²	86.7	27%	0.273	45%	0.45	S	S	.	.			trans	-96.1	121.8	169.1	-176.3	0	0	0	0	110.5	R2573 S2578 D2912	R2573-S2576 WeakPolarHBondContact O-CB 3.5Å; R2573-S2576 PolarHBondContact O-N 3.14Å; R2573-S2576 VanDerWaalsContact O-N 3.12Å; S2576-S2578 PolarHBondContact O-N 3.16Å; S2576-S2578 VanDerWaalsContact O-N 3.12Å; S2576-S2578 PolarHBondContact OG-O 3.02Å; S2576-S2578 VanDerWaalsContact OG-O 3.14Å; S2576-D2912 PolarHBondContact OG-OD1 3.34Å
2577	P	37.8	Very low	56.6	Low	128.333 Å²	128.333	88.3 Å²	88.3	83%	0.833	46%	0.461	S	S	*	.	S	Bend	trans	-75.7	11.3	-177.2	32.6	-36.9	0	0	0	113.9	Y2575	Y2575-P2577 WeakPolarHBondContact O-CD 3.3Å
2578	S	39.8	Very low	55.7	Low	59 Å²	59	90 Å²	90	41%	0.413	47%	0.472	S	S	.	.	S	Bend	trans	-139	119.2	-178.7	54	0	0	0	0	112.6	S2576	S2576-S2578 PolarHBondContact O-N 3.16Å; S2576-S2578 VanDerWaalsContact O-N 3.12Å; S2576-S2578 PolarHBondContact OG-O 3.02Å; S2576-S2578 VanDerWaalsContact OG-O 3.14Å
2579	I	42.2	Very low	55.3	Low	85.6667 Å²	85.6667	89.8 Å²	89.8	44%	0.439	47%	0.472	S	S	.	.			trans	102	93.4	168.6	-63	146.1	0	0	0	112.6	L2218 L2581 D2912	L2218-I2579 HydrophobicContact CD1-CD1 3.65Å; L2218-I2579 HydrophobicContact CD1-CG1 3.77Å; L2218-I2579 HydrophobicContact CD2-CG2 4.1Å; I2579-L2581 VanDerWaalsContact C-N 3.29Å; I2579-L2581 HydrophobicContact CG2-CB 4.18Å; I2579-L2581 HydrophobicContact CG2-CD1 3.95Å; I2579-L2581 HydrophobicContact CG2-CG 4.41Å; I2579-L2581 PolarHBondContact O-N 2.96Å; I2579-D2912 HydrophobicContact CD1-CB 4.12Å
2580	N	35.2	Very low	55.2	Low	165 Å²	165	88.2 Å²	88.2	88%	0.882	47%	0.466	S	S	*	.			trans	-78.2	77	164.8	-75.8	-29.2	0	0	0	110.8
2581	L	39.5	Very low	55.4	Low	125.667 Å²	125.667	88.7 Å²	88.7	66%	0.658	47%	0.467	S	S	*	.			trans	-134.7	119.6	169.2	-86.1	137	0	0	0	110.1	I2579	I2579-L2581 VanDerWaalsContact C-N 3.29Å; I2579-L2581 HydrophobicContact CG2-CB 4.18Å; I2579-L2581 HydrophobicContact CG2-CD1 3.95Å; I2579-L2581 HydrophobicContact CG2-CG 4.41Å; I2579-L2581 PolarHBondContact O-N 2.96Å
2582	L	40.6	Very low	55.9	Low	125 Å²	125	88.4 Å²	88.4	65%	0.654	47%	0.465	S	S	*	.			trans	62.4	109.9	-174.5	-129.5	71.7	0	0	0	115.2	H2584	L2582-H2584 PolarHBondContact O-N 3.19Å
2583	P	38.5	Very low	56.9	Low	98.3333 Å²	98.3333	87.9 Å²	87.9	64%	0.639	46%	0.461	S	S	*	.			trans	-69.4	114.1	165.9	29	-31.2	0	0	0	109	N2585	P2583-N2585 VanDerWaalsContact C-N 3.31Å; P2583-N2585 PolarHBondContact O-N 3.3Å
2584	H	46.9	Very low	58.6	Low	79.3333 Å²	79.3333	82.9 Å²	82.9	37%	0.367	44%	0.444	S	S	.	.			trans	-62.6	115.9	169.4	-96.1	-88.4	0	0	0	108.9	N2574 L2582 L2586	N2574-H2584 PolarHBondContact ND2-O 3.27Å; L2582-H2584 PolarHBondContact O-N 3.19Å; H2584-L2586 PolarHBondContact O-N 2.85Å; H2584-L2586 VanDerWaalsContact O-N 3.1Å
2585	N	51.4	Low	60.5	Low	95 Å²	95	79 Å²	79	51%	0.508	42%	0.424	S	S	.	.			trans	-68.1	122.5	-179.9	-165.8	34.8	0	0	0	109.1	P2583 D2587 T2588	P2583-N2585 VanDerWaalsContact C-N 3.31Å; P2583-N2585 PolarHBondContact O-N 3.3Å; N2585-D2587 PolarHBondContact ND2-OD2 3.26Å; N2585-D2587 PolarHBondContact O-N 3.02Å; N2585-D2587 VanDerWaalsContact O-N 3.17Å; N2585-T2588 HydrophobicContact CB-CG2 4.34Å; N2585-T2588 WeakPolarHBondContact O-CB 3.42Å; N2585-T2588 PolarHBondContact O-N 3.05Å; N2585-T2588 PolarHBondContact O-OG1 2.84Å
2586	L	53.9	Low	62.4	Low	135.667 Å²	135.667	71.6 Å²	71.6	71%	0.71	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	-171.9	-68.3	167.4	0	0	0	113.2	H2584 T2588	H2584-L2586 PolarHBondContact O-N 2.85Å; H2584-L2586 VanDerWaalsContact O-N 3.1Å; L2586-T2588 VanDerWaalsContact C-N 3.31Å; L2586-T2588 PolarHBondContact O-N 2.71Å
2587	D	61.3	Low	64.6	Low	101 Å²	101	70.3 Å²	70.3	54%	0.54	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.7	177.2	-45.6	-55.1	0	0	0	114	R2310 N2585	R2310-D2587 VanDerWaalsContact CZ-CB 3.49Å; R2310-D2587 IonicContact CZ-OD2 3.6Å; R2310-D2587 VanDerWaalsContact CZ-OD2 3.28Å; R2310-D2587 IonicContact NH1-OD1 3.04Å; R2310-D2587 IonicContact NH1-OD2 3.14Å; R2310-D2587 PolarHBondContact NH1-OD2 3.33Å; R2310-D2587 IonicContact NH2-OD2 2.72Å; R2310-D2587 PolarHBondContact NH2-OD2 3.5Å; N2585-D2587 PolarHBondContact ND2-OD2 3.26Å; N2585-D2587 PolarHBondContact O-N 3.02Å; N2585-D2587 VanDerWaalsContact O-N 3.17Å
2588	T	72.7	Confident	66.8	Low	51 Å²	51	66.7 Å²	66.7	31%	0.313	36%	0.356	S	S	.	.	S	Bend	trans	-76	128.2	174.9	21.7	0	0	0	0	110	N2585 L2586 Q2686	N2585-T2588 HydrophobicContact CB-CG2 4.34Å; N2585-T2588 WeakPolarHBondContact O-CB 3.42Å; N2585-T2588 PolarHBondContact O-N 3.05Å; N2585-T2588 PolarHBondContact O-OG1 2.84Å; L2586-T2588 VanDerWaalsContact C-N 3.31Å; L2586-T2588 PolarHBondContact O-N 2.71Å; T2588-Q2686 PolarHBondContact O-NE2 2.99Å; T2588-Q2686 PolarHBondContact OG1-NE2 3.13Å
2589	P	82.6	Confident	68.7	Low	23.3333 Å²	23.3333	64.6 Å²	64.6	15%	0.152	34%	0.341	C	S	.	.			trans	-75.3	147.8	-179.1	30.8	-35.4	0	0	0	112	I2550 P2551 L2591 R2592	I2550-P2589 WeakPolarHBondContact O-CB 3.4Å; P2551-P2589 HydrophobicContact CG-CB 4.45Å; P2589-L2591 VanDerWaalsContact C-N 3.3Å; P2589-L2591 PolarHBondContact O-N 3.06Å; P2589-R2592 HydrophobicContact CG-CB 4.21Å; P2589-R2592 HydrophobicContact CG-CG 3.53Å
2590	M	87.6	Confident	70.2	Confident	7.66667 Å²	7.66667	63.1 Å²	63.1	4%	0.038	34%	0.336	C	S	.	.	S	Bend	trans	-62.7	-33.3	178.3	-135.7	-164.6	80.1	0	0	113.5	I2550 P2551 I2553 I2685 Q2686 L2688	I2550-M2590 PolarHBondContact O-N 2.87Å; P2551-M2590 WeakPolarHBondContact O-CB 3.3Å; P2551-M2590 WeakPolarHBondContact O-CG 3.37Å; P2551-M2590 PolarHBondContact O-N 3.16Å; P2551-M2590 VanDerWaalsContact O-N 3.15Å; I2553-M2590 HydrophobicContact CB-CE 3.81Å; I2553-M2590 HydrophobicContact CB-SD 4.13Å; I2553-M2590 HydrophobicContact CD1-CE 3.72Å; I2553-M2590 HydrophobicContact CG1-CE 3.72Å; I2553-M2590 HydrophobicContact CG1-SD 4.3Å; I2553-M2590 PolarHBondContact N-SD 3.03Å; I2553-M2590 VanDerWaalsContact O-CE 3.27Å; I2553-M2590 WeakPolarHBondContact O-CE 3.47Å; M2590-I2685 CarbonylContact O-C 3.53Å; M2590-I2685 VanDerWaalsContact O-CA 3.27Å; M2590-I2685 WeakPolarHBondContact O-CA 3.19Å; M2590-I2685 WeakPolarHBondContact O-CG2 3.38Å; M2590-Q2686 VanDerWaalsContact CA-OE1 3.27Å; M2590-Q2686 HydrophobicContact CG-CB 4.13Å; M2590-Q2686 PolarHBondContact O-N 2.91Å; M2590-L2688 HydrophobicContact CE-CD2 3.83Å; M2590-L2688 HydrophobicContact CG-CD2 4.17Å; M2590-L2688 HydrophobicContact SD-CD2 3.74Å
2591	L	89.9	Confident	71.7	Confident	35.3333 Å²	35.3333	57.4 Å²	57.4	19%	0.185	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.6	173.8	179.9	125	0	0	0	110.5	H2549 I2550 I2553 P2589 M2593 L2683 S2684	H2549-L2591 CarbonylContact C-O 3.54Å; H2549-L2591 WeakPolarHBondContact CA-O 3.39Å; I2550-L2591 HydrophobicContact CB-CB 4.27Å; I2550-L2591 HydrophobicContact CD1-CD2 4.08Å; I2550-L2591 HydrophobicContact CG1-CB 4.39Å; I2550-L2591 HydrophobicContact CG1-CD2 4.27Å; I2550-L2591 PolarHBondContact N-O 3Å; I2550-L2591 PolarHBondContact O-N 3.19Å; I2550-L2591 VanDerWaalsContact O-N 3.09Å; I2553-L2591 HydrophobicContact CD1-CB 4.3Å; P2589-L2591 VanDerWaalsContact C-N 3.3Å; P2589-L2591 PolarHBondContact O-N 3.06Å; L2591-M2593 HydrophobicContact CD2-CB 4.3Å; L2591-L2683 HydrophobicContact CD1-CD1 4.08Å; L2591-L2683 HydrophobicContact CD2-CD1 4.23Å; L2591-L2683 HydrophobicContact CG-CD1 3.95Å; L2591-S2684 CarbonylContact C-O 3.46Å; L2591-S2684 WeakPolarHBondContact CA-O 3.34Å
2592	R	90.1	Very high	72.7	Confident	59 Å²	59	55.2 Å²	55.2	22%	0.223	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.2	171.2	175.4	-174.7	-149.2	-151.9	-2.6	109.8	D2114 V2115 S2234 E2235 I2548 H2549 P2589 L2683 S2684	D2114-R2592 VanDerWaalsContact CB-NH1 3.35Å; D2114-R2592 WeakPolarHBondContact OD2-CD 3.49Å; D2114-R2592 IonicContact OD2-CZ 2.84Å; D2114-R2592 IonicContact OD2-NE 2.65Å; D2114-R2592 IonicContact OD2-NH1 4Å; D2114-R2592 PolarHBondContact OD2-NH1 3.29Å; V2115-R2592 PolarHBondContact O-NH1 3.48Å; S2234-R2592 PolarHBondContact OG-NE 3.06Å; S2234-R2592 PolarHBondContact OG-NH2 2.98Å; E2235-R2592 PolarHBondContact O-NE 3.33Å; E2235-R2592 PolarHBondContact O-NH2 3.03Å; I2548-R2592 CarbonylContact O-C 3.53Å; I2548-R2592 VanDerWaalsContact O-CA 3.3Å; I2548-R2592 WeakPolarHBondContact O-CA 3.34Å; H2549-R2592 PolarHBondContact CE1-NE 3.16Å; H2549-R2592 VanDerWaalsContact CE1-NE 3.32Å; H2549-R2592 PolarHBondContact NE2-NH2 3.15Å; P2589-R2592 HydrophobicContact CG-CB 4.21Å; P2589-R2592 HydrophobicContact CG-CG 3.53Å; R2592-L2683 CarbonylContact O-C 3.2Å; R2592-L2683 WeakPolarHBondContact O-CA 3.36Å; R2592-S2684 VanDerWaalsContact CB-OG 3.3Å; R2592-S2684 WeakPolarHBondContact CB-OG 3.21Å; R2592-S2684 VanDerWaalsContact CD-OG 3.32Å; R2592-S2684 WeakPolarHBondContact CD-OG 3.47Å; R2592-S2684 VanDerWaalsContact CG-OG 3.32Å; R2592-S2684 WeakPolarHBondContact CG-OG 3.37Å; R2592-S2684 PolarHBondContact N-O 3.2Å; R2592-S2684 PolarHBondContact O-N 2.99Å; R2592-S2684 PolarHBondContact O-OG 3.33Å; R2592-S2684 VanDerWaalsContact O-OG 3.06Å
2593	M	90.8	Very high	73.3	Confident	50 Å²	50	53.3 Å²	53.3	25%	0.246	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137	177	-163.8	179.7	78.2	0	0	110.8	L2546 I2547 I2548 L2591 V2595 I2681 K2682 L2683	L2546-M2593 HydrophobicContact CD2-CE 4.3Å; I2547-M2593 CarbonylContact C-O 3.57Å; I2547-M2593 WeakPolarHBondContact CA-O 3.48Å; I2548-M2593 HydrophobicContact CB-CB 4.27Å; I2548-M2593 HydrophobicContact CD1-CB 4.29Å; I2548-M2593 HydrophobicContact CD1-CE 3.6Å; I2548-M2593 VanDerWaalsContact CD1-CE 3.49Å; I2548-M2593 HydrophobicContact CD1-SD 4.13Å; I2548-M2593 HydrophobicContact CG1-CB 4.12Å; I2548-M2593 HydrophobicContact CG1-CE 4.13Å; I2548-M2593 PolarHBondContact N-O 3.17Å; I2548-M2593 PolarHBondContact O-N 3.16Å; L2591-M2593 HydrophobicContact CD2-CB 4.3Å; M2593-V2595 HydrophobicContact CE-CG2 4.04Å; M2593-V2595 HydrophobicContact CG-CG2 4.24Å; M2593-V2595 HydrophobicContact SD-CG2 4.06Å; M2593-I2681 HydrophobicContact CG-CG2 4.45Å; M2593-K2682 CarbonylContact C-O 3.54Å; M2593-K2682 WeakPolarHBondContact CA-O 3.4Å; M2593-K2682 WeakPolarHBondContact CG-O 3.28Å; M2593-L2683 HydrophobicContact CB-CD1 3.97Å; M2593-L2683 HydrophobicContact CG-CD1 4.17Å
2594	V	89.9	Confident	74	Confident	13 Å²	13	54.7 Å²	54.7	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.7	172.7	-178.4	0	0	0	0	109.4	E2235 R2545 L2546 I2547 V2596 K2682	E2235-V2594 HydrophobicContact CB-CG2 3.34Å; E2235-V2594 HydrophobicContact CG-CG2 3.44Å; E2235-V2594 VanDerWaalsContact CG-CG2 3.44Å; E2235-V2594 WeakPolarHBondContact OE2-CG2 3.3Å; R2545-V2594 HydrophobicContact CG-CG1 3.89Å; L2546-V2594 CarbonylContact O-C 3.34Å; L2546-V2594 WeakPolarHBondContact O-CA 3.24Å; L2546-V2594 WeakPolarHBondContact O-CB 3.47Å; L2546-V2594 WeakPolarHBondContact O-CG1 3.48Å; I2547-V2594 HydrophobicContact CG1-CG1 4.37Å; I2547-V2594 HydrophobicContact CG1-CG2 4.28Å; I2547-V2594 HydrophobicContact CG2-CG2 4.31Å; V2594-V2596 HydrophobicContact CG1-CG2 4.18Å; V2594-K2682 PolarHBondContact N-O 2.88Å; V2594-K2682 PolarHBondContact O-N 3.34Å
2595	V	90.3	Very high	74.3	Confident	12.6667 Å²	12.6667	53.8 Å²	53.8	8%	0.077	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.2	174.8	-172.7	0	0	0	0	108.5	R2545 L2546 M2593 V2679 E2680 I2681	R2545-V2595 CarbonylContact C-O 3.53Å; R2545-V2595 VanDerWaalsContact CA-O 3.28Å; R2545-V2595 WeakPolarHBondContact CA-O 3.33Å; L2546-V2595 HydrophobicContact CB-CB 3.95Å; L2546-V2595 HydrophobicContact CB-CG2 4.2Å; L2546-V2595 HydrophobicContact CD1-CB 4.2Å; L2546-V2595 HydrophobicContact CD1-CG2 4.02Å; L2546-V2595 HydrophobicContact CD2-CG2 4.22Å; L2546-V2595 HydrophobicContact CG-CB 4.1Å; L2546-V2595 PolarHBondContact N-O 3.28Å; L2546-V2595 PolarHBondContact O-N 3.16Å; L2546-V2595 VanDerWaalsContact O-N 3.16Å; M2593-V2595 HydrophobicContact CE-CG2 4.04Å; M2593-V2595 HydrophobicContact CG-CG2 4.24Å; M2593-V2595 HydrophobicContact SD-CG2 4.06Å; V2595-V2679 HydrophobicContact CG1-CG1 3.31Å; V2595-E2680 CarbonylContact C-O 3.57Å; V2595-E2680 WeakPolarHBondContact CA-O 3.25Å; V2595-I2681 HydrophobicContact CG1-CD1 4.44Å; V2595-I2681 HydrophobicContact CG1-CG1 4.12Å; V2595-I2681 HydrophobicContact CG2-CD1 4.42Å; V2595-I2681 HydrophobicContact CG2-CG1 4.27Å; V2595-I2681 HydrophobicContact CG2-CG2 4.35Å
2596	V	87.7	Confident	74.4	Confident	15 Å²	15	53.7 Å²	53.7	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.1	174.4	-175.6	0	0	0	0	108.6	N2233 Y2322 P2542 Q2544 R2545 V2594 W2598 V2679 E2680	N2233-V2596 WeakPolarHBondContact ND2-CB 3.5Å; N2233-V2596 WeakPolarHBondContact ND2-CG2 3.47Å; Y2322-V2596 HydrophobicContact CE1-CG1 4.36Å; P2542-V2596 HydrophobicContact CB-CG1 3.75Å; P2542-V2596 HydrophobicContact CG-CG1 4.5Å; Q2544-V2596 WeakPolarHBondContact O-CA 3.27Å; R2545-V2596 HydrophobicContact CG-CG2 4.36Å; V2594-V2596 HydrophobicContact CG1-CG2 4.18Å; V2596-W2598 HydrophobicContact CG1-CD2 4.38Å; V2596-W2598 HydrophobicContact CG1-CZ2 3.89Å; V2596-V2679 WeakPolarHBondContact O-CA 3.29Å; V2596-E2680 PolarHBondContact N-O 3.25Å; V2596-E2680 PolarHBondContact O-N 2.92Å
2597	C	87.3	Confident	74	Confident	10.6667 Å²	10.6667	54.1 Å²	54.1	7%	0.072	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126	177.7	-49.3	0	0	0	0	109.6	F2543 Q2544 E2678 V2679	F2543-C2597 PolarHBondContact N-O 3.02Å; Q2544-C2597 HydrophobicContact CB-CB 4.12Å; Q2544-C2597 PolarHBondContact N-O 3.26Å; Q2544-C2597 PolarHBondContact O-N 3.03Å; C2597-E2678 CarbonylContact C-O 3.53Å; C2597-E2678 VanDerWaalsContact CA-O 3.29Å; C2597-E2678 WeakPolarHBondContact CA-O 3.35Å; C2597-V2679 HydrophobicContact CB-CG2 4.32Å
2598	W	83.8	Confident	73.3	Confident	52.6667 Å²	52.6667	53 Å²	53	20%	0.199	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.1	179.4	-57.1	92.4	0	0	0	110	L2107 P2542 V2596 V2600 L2677 E2678	L2107-W2598 HydrophobicContact CD1-CH2 4.42Å; P2542-W2598 HydrophobicContact CB-CD2 4.22Å; P2542-W2598 HydrophobicContact CB-CE3 3.86Å; P2542-W2598 HydrophobicContact CB-CH2 4.24Å; P2542-W2598 HydrophobicContact CB-CZ2 4.46Å; P2542-W2598 HydrophobicContact CB-CZ3 3.88Å; P2542-W2598 HydrophobicContact CG-CH2 4.36Å; P2542-W2598 HydrophobicContact CG-CZ3 4.24Å; V2596-W2598 HydrophobicContact CG1-CD2 4.38Å; V2596-W2598 HydrophobicContact CG1-CZ2 3.89Å; W2598-V2600 PolarHBondContact O-N 3.08Å; W2598-L2677 WeakPolarHBondContact O-CA 3.38Å; W2598-E2678 HydrophobicContact CB-CB 4.37Å; W2598-E2678 PolarHBondContact N-O 3.32Å; W2598-E2678 PolarHBondContact O-N 3.11Å
2599	P	80.5	Confident	72.1	Confident	14.6667 Å²	14.6667	54.3 Å²	54.3	10%	0.095	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136	171.7	15.3	-13.6	0	0	0	111	V2540 D2541 F2543 P2674	V2540-P2599 HydrophobicContact CB-CG 4.28Å; V2540-P2599 HydrophobicContact CG1-CB 4.13Å; V2540-P2599 HydrophobicContact CG1-CG 3.63Å; D2541-P2599 WeakPolarHBondContact O-CD 3.4Å; F2543-P2599 HydrophobicContact CB-CG 4.09Å; P2599-P2674 HydrophobicContact CB-CB 3.71Å; P2599-P2674 HydrophobicContact CB-CG 3.95Å
2600	V	73.6	Confident	70.5	Confident	55 Å²	55	57.8 Å²	57.8	33%	0.333	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-82.4	124.3	167.2	-179.6	0	0	0	0	108.8	W2598 P2602 N2676 E2678	W2598-V2600 PolarHBondContact O-N 3.08Å; V2600-P2602 WeakPolarHBondContact O-CD 3.47Å; V2600-N2676 HydrophobicContact CB-CB 4.02Å; V2600-N2676 HydrophobicContact CG2-CB 3.95Å; V2600-N2676 PolarHBondContact N-O 3.14Å; V2600-N2676 VanDerWaalsContact N-O 3.16Å; V2600-E2678 HydrophobicContact CG2-CG 3.86Å
2601	I	66.7	Low	68.2	Low	45 Å²	45	60.6 Å²	60.6	23%	0.231	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-76.2	126.5	172.3	-57.5	166.8	0	0	0	108.7	M2517 V2540 L2605 E2606	M2517-I2601 HydrophobicContact CE-CD1 3.75Å; M2517-I2601 HydrophobicContact CE-CG1 4.23Å; M2517-I2601 HydrophobicContact CE-CG2 4.42Å; V2540-I2601 HydrophobicContact CG2-CD1 3.78Å; V2540-I2601 HydrophobicContact CG2-CG1 4.15Å; I2601-L2605 HydrophobicContact CG2-CB 4.4Å; I2601-E2606 HydrophobicContact CG2-CG 4.05Å
2602	P	60.8	Low	66.1	Low	79.5 Å²	79.5	64.5 Å²	64.5	52%	0.516	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-70	131.1	168.6	-16	31.1	0	0	0	110.6	V2600 H2604 L2605	V2600-P2602 WeakPolarHBondContact O-CD 3.47Å; P2602-H2604 PolarHBondContact O-N 3.21Å; P2602-H2604 VanDerWaalsContact O-N 3.1Å; P2602-L2605 VanDerWaalsContact O-CB 3.3Å; P2602-L2605 WeakPolarHBondContact O-CB 3.3Å; P2602-L2605 PolarHBondContact O-N 2.9Å
2603	S	53.3	Low	63.8	Low	86 Å²	86	64.6 Å²	64.6	60%	0.601	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.5	-175.6	50.8	0	0	0	0	115	L2605 E2606	S2603-L2605 VanDerWaalsContact C-N 3.28Å; S2603-L2605 PolarHBondContact O-N 2.89Å; S2603-E2606 PolarHBondContact O-N 3.05Å; S2603-E2606 VanDerWaalsContact O-N 3.16Å
2604	H	52.7	Low	61.5	Low	126.5 Å²	126.5	65.8 Å²	65.8	59%	0.586	36%	0.36	S	S	*	.	H	α-helix	trans	-58.1	-36.1	174.3	-151.7	-59.2	0	0	0	112.2	P2602 E2606 Q2607 D2608	P2602-H2604 PolarHBondContact O-N 3.21Å; P2602-H2604 VanDerWaalsContact O-N 3.1Å; H2604-E2606 VanDerWaalsContact C-N 3.32Å; H2604-E2606 PolarHBondContact O-N 3.15Å; H2604-Q2607 PolarHBondContact O-N 3.42Å; H2604-D2608 IonicContact CE1-OD1 3.5Å; H2604-D2608 IonicContact CE1-OD2 3.3Å; H2604-D2608 PolarHBondContact CE1-OD2 3.1Å; H2604-D2608 VanDerWaalsContact CE1-OD2 3.26Å; H2604-D2608 IonicContact ND1-OD1 3.54Å; H2604-D2608 IonicContact ND1-OD2 2.73Å; H2604-D2608 PolarHBondContact ND1-OD2 2.91Å; H2604-D2608 PolarHBondContact O-N 2.87Å
2605	L	53.1	Low	59.5	Low	60.5 Å²	60.5	71.5 Å²	71.5	32%	0.317	39%	0.386	S	S	.	.	H	α-helix	trans	-70.7	-21.3	-179.7	-118.2	77.4	0	0	0	113.1	I2601 P2602 S2603 N2609 L2671	I2601-L2605 HydrophobicContact CG2-CB 4.4Å; P2602-L2605 VanDerWaalsContact O-CB 3.3Å; P2602-L2605 WeakPolarHBondContact O-CB 3.3Å; P2602-L2605 PolarHBondContact O-N 2.9Å; S2603-L2605 VanDerWaalsContact C-N 3.28Å; S2603-L2605 PolarHBondContact O-N 2.89Å; L2605-N2609 PolarHBondContact O-ND2 3.14Å; L2605-L2671 HydrophobicContact CD2-CD2 4.06Å
2606	E	52.9	Low	57.4	Low	94 Å²	94	76 Å²	76	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-76.6	-34	176.4	-61.8	-169.3	126.2	0	0	111.6	I2601 S2603 H2604 I2610	I2601-E2606 HydrophobicContact CG2-CG 4.05Å; S2603-E2606 PolarHBondContact O-N 3.05Å; S2603-E2606 VanDerWaalsContact O-N 3.16Å; H2604-E2606 VanDerWaalsContact C-N 3.32Å; H2604-E2606 PolarHBondContact O-N 3.15Å; E2606-I2610 WeakPolarHBondContact O-CB 3.44Å; E2606-I2610 VanDerWaalsContact O-CD1 3.31Å; E2606-I2610 WeakPolarHBondContact O-CD1 3.31Å; E2606-I2610 WeakPolarHBondContact O-CG1 3.24Å; E2606-I2610 PolarHBondContact O-N 3.22Å
2607	Q	46.8	Very low	55.5	Low	144 Å²	144	80.1 Å²	80.1	67%	0.673	43%	0.431	S	S	*	.	H	α-helix	trans	-80.5	-47.1	-174.3	-65	-177.3	-13.6	0	0	112.5	H2604 N2609 I2610 S2611	H2604-Q2607 PolarHBondContact O-N 3.42Å; Q2607-N2609 PolarHBondContact O-N 3.04Å; Q2607-I2610 PolarHBondContact O-N 2.93Å; Q2607-I2610 VanDerWaalsContact O-N 3.13Å; Q2607-S2611 PolarHBondContact O-N 2.91Å; Q2607-S2611 VanDerWaalsContact O-N 3.09Å
2608	D	46.5	Very low	53.5	Low	78.5 Å²	78.5	83.9 Å²	83.9	42%	0.42	45%	0.454	S	S	.	.	H	α-helix	trans	-62.8	-37.3	-177.2	-63.9	-37.1	0	0	0	112.5	H2604 I2610 S2611 L2612	H2604-D2608 IonicContact CE1-OD1 3.5Å; H2604-D2608 IonicContact CE1-OD2 3.3Å; H2604-D2608 PolarHBondContact CE1-OD2 3.1Å; H2604-D2608 VanDerWaalsContact CE1-OD2 3.26Å; H2604-D2608 IonicContact ND1-OD1 3.54Å; H2604-D2608 IonicContact ND1-OD2 2.73Å; H2604-D2608 PolarHBondContact ND1-OD2 2.91Å; H2604-D2608 PolarHBondContact O-N 2.87Å; D2608-I2610 PolarHBondContact O-N 2.89Å; D2608-S2611 PolarHBondContact O-N 3.41Å; D2608-S2611 PolarHBondContact O-OG 2.88Å; D2608-L2612 PolarHBondContact O-N 3.03Å; D2608-L2612 VanDerWaalsContact O-N 3.15Å
2609	N	47.2	Very low	51.7	Low	76.5 Å²	76.5	88.2 Å²	88.2	41%	0.409	48%	0.476	S	S	.	.	H	α-helix	trans	-73.1	-24.3	-179.4	-77.8	-70.6	0	0	0	113.7	L2605 Q2607 L2613	L2605-N2609 PolarHBondContact O-ND2 3.14Å; Q2607-N2609 PolarHBondContact O-N 3.04Å; N2609-L2613 WeakPolarHBondContact O-CB 3.48Å; N2609-L2613 PolarHBondContact O-N 2.76Å
2610	I	48.7	Very low	50.1	Low	98 Å²	98	94.8 Å²	94.8	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-80.4	-37.9	179.6	-69	172.6	0	0	0	111	F2536 E2606 Q2607 D2608 S2614	F2536-I2610 HydrophobicContact CE2-CG1 4.37Å; E2606-I2610 WeakPolarHBondContact O-CB 3.44Å; E2606-I2610 VanDerWaalsContact O-CD1 3.31Å; E2606-I2610 WeakPolarHBondContact O-CD1 3.31Å; E2606-I2610 WeakPolarHBondContact O-CG1 3.24Å; E2606-I2610 PolarHBondContact O-N 3.22Å; Q2607-I2610 PolarHBondContact O-N 2.93Å; Q2607-I2610 VanDerWaalsContact O-N 3.13Å; D2608-I2610 PolarHBondContact O-N 2.89Å; I2610-S2614 PolarHBondContact O-N 3.08Å
2611	S	39.6	Very low	48.8	Very low	65.5 Å²	65.5	95.5 Å²	95.5	46%	0.458	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-52.2	-177.7	65.1	0	0	0	0	112.7	Q2607 D2608 L2613 S2614	Q2607-S2611 PolarHBondContact O-N 2.91Å; Q2607-S2611 VanDerWaalsContact O-N 3.09Å; D2608-S2611 PolarHBondContact O-N 3.41Å; D2608-S2611 PolarHBondContact O-OG 2.88Å; S2611-L2613 VanDerWaalsContact C-N 3.3Å; S2611-L2613 PolarHBondContact O-N 3.17Å; S2611-S2614 WeakPolarHBondContact O-CB 3.33Å; S2611-S2614 PolarHBondContact O-N 3.15Å; S2611-S2614 VanDerWaalsContact O-N 3.17Å; S2611-S2614 PolarHBondContact O-OG 2.87Å
2612	L	46.5	Very low	47.8	Very low	117 Å²	117	100.9 Å²	100.9	61%	0.613	53%	0.528	S	S	*	.	H	α-helix	trans	-61.7	-36.6	-176.6	-75.7	165.7	0	0	0	113.5	D2608 S2614 Q2615 Q2616	D2608-L2612 PolarHBondContact O-N 3.03Å; D2608-L2612 VanDerWaalsContact O-N 3.15Å; L2612-S2614 VanDerWaalsContact C-N 3.3Å; L2612-S2614 PolarHBondContact O-N 2.84Å; L2612-Q2615 PolarHBondContact O-N 3.39Å; L2612-Q2616 PolarHBondContact O-N 3.44Å
2613	L	41.6	Very low	47	Very low	62.5 Å²	62.5	100.1 Å²	100.1	33%	0.327	53%	0.528	S	S	.	.	H	α-helix	trans	-71.7	-25.2	-179.7	-120.2	118.2	0	0	0	112.9	N2609 S2611 Q2615 V2617	N2609-L2613 WeakPolarHBondContact O-CB 3.48Å; N2609-L2613 PolarHBondContact O-N 2.76Å; S2611-L2613 VanDerWaalsContact C-N 3.3Å; S2611-L2613 PolarHBondContact O-N 3.17Å; L2613-Q2615 VanDerWaalsContact C-N 3.28Å; L2613-Q2615 PolarHBondContact O-N 3.1Å; L2613-V2617 WeakPolarHBondContact O-CG2 3.48Å; L2613-V2617 PolarHBondContact O-N 2.8Å
2614	S	42.7	Very low	46.7	Very low	74.5 Å²	74.5	101.6 Å²	101.6	52%	0.521	53%	0.529	S	S	.	.	H	α-helix	trans	-65.6	-32.7	-179.4	73.3	0	0	0	0	113.2	I2610 S2611 L2612 V2618	I2610-S2614 PolarHBondContact O-N 3.08Å; S2611-S2614 WeakPolarHBondContact O-CB 3.33Å; S2611-S2614 PolarHBondContact O-N 3.15Å; S2611-S2614 VanDerWaalsContact O-N 3.17Å; S2611-S2614 PolarHBondContact O-OG 2.87Å; L2612-S2614 VanDerWaalsContact C-N 3.3Å; L2612-S2614 PolarHBondContact O-N 2.84Å; S2614-V2618 WeakPolarHBondContact O-CG2 3.33Å
2615	Q	46.5	Very low	46.4	Very low	132.5 Å²	132.5	101.1 Å²	101.1	62%	0.619	53%	0.531	S	S	*	.	H	α-helix	trans	-78.3	-44.9	179.5	-69.1	179.8	-39.4	0	0	112.1	L2612 L2613 V2617 V2618 E2619	L2612-Q2615 PolarHBondContact O-N 3.39Å; L2613-Q2615 VanDerWaalsContact C-N 3.28Å; L2613-Q2615 PolarHBondContact O-N 3.1Å; Q2615-V2617 VanDerWaalsContact C-N 3.28Å; Q2615-V2617 PolarHBondContact O-N 3.24Å; Q2615-V2618 PolarHBondContact O-N 3.27Å; Q2615-E2619 PolarHBondContact O-N 2.9Å
2616	Q	46.9	Very low	46.2	Very low	108.5 Å²	108.5	104.6 Å²	104.6	51%	0.507	55%	0.546	S	S	.	.	H	α-helix	trans	-62.5	-29.4	-175.2	-71.3	-171.4	-25.4	0	0	114.4	L2612 R2620	L2612-Q2616 PolarHBondContact O-N 3.44Å; Q2616-R2620 PolarHBondContact O-N 3.45Å; Q2616-R2620 VanDerWaalsContact O-N 3.1Å
2617	V	47.8	Very low	45.7	Very low	100 Å²	100	108 Å²	108	61%	0.606	56%	0.559	S	S	*	*	H	α-helix	trans	-71.7	-37.6	178.6	176.8	0	0	0	0	111.5	L2613 Q2615 S2621	L2613-V2617 WeakPolarHBondContact O-CG2 3.48Å; L2613-V2617 PolarHBondContact O-N 2.8Å; Q2615-V2617 VanDerWaalsContact C-N 3.28Å; Q2615-V2617 PolarHBondContact O-N 3.24Å; V2617-S2621 PolarHBondContact O-N 2.95Å
2618	V	46.2	Very low	45.4	Very low	91.5 Å²	91.5	110.1 Å²	110.1	56%	0.555	57%	0.567	S	S	*	*	H	α-helix	trans	-66.9	-43.3	-179.9	176.8	0	0	0	0	111	S2614 Q2615 R2620 S2621 K2622	S2614-V2618 WeakPolarHBondContact O-CG2 3.33Å; Q2615-V2618 PolarHBondContact O-N 3.27Å; V2618-R2620 PolarHBondContact O-N 3.22Å; V2618-S2621 PolarHBondContact O-N 3.15Å; V2618-S2621 PolarHBondContact O-OG 3.28Å; V2618-K2622 PolarHBondContact O-N 3.44Å
2619	E	46	Very low	45.4	Very low	142 Å²	142	113.1 Å²	113.1	66%	0.664	58%	0.581	S	S	*	*	H	α-helix	trans	-68.3	-41.4	-176	-66	-173.1	146.2	0	0	113.3	Q2615 S2621 K2622 A2623	Q2615-E2619 PolarHBondContact O-N 2.9Å; E2619-S2621 VanDerWaalsContact C-N 3.26Å; E2619-S2621 PolarHBondContact O-N 3.13Å; E2619-K2622 PolarHBondContact O-N 3.07Å; E2619-K2622 VanDerWaalsContact O-N 3.1Å; E2619-A2623 PolarHBondContact O-N 3Å; E2619-A2623 VanDerWaalsContact O-N 3.07Å
2620	R	45.9	Very low	45.2	Very low	153 Å²	153	119.6 Å²	119.6	58%	0.577	60%	0.6	S	S	*	*	H	α-helix	trans	-59.2	-37.4	176.7	-75.1	-174.1	174.3	177	-0.6	112.1	Q2616 V2618 K2622 A2623 D2624	Q2616-R2620 PolarHBondContact O-N 3.45Å; Q2616-R2620 VanDerWaalsContact O-N 3.1Å; V2618-R2620 PolarHBondContact O-N 3.22Å; R2620-K2622 VanDerWaalsContact C-N 3.27Å; R2620-K2622 PolarHBondContact O-N 3.04Å; R2620-K2622 VanDerWaalsContact O-N 3.12Å; R2620-A2623 PolarHBondContact O-N 2.84Å; R2620-D2624 PolarHBondContact O-N 3.29Å
2621	S	46.3	Very low	44.8	Very low	70 Å²	70	124.6 Å²	124.6	49%	0.49	62%	0.618	S	S	.	*	H	α-helix	trans	-63.4	-22	-179.8	75.6	0	0	0	0	115.1	V2617 V2618 E2619 N2625	V2617-S2621 PolarHBondContact O-N 2.95Å; V2618-S2621 PolarHBondContact O-N 3.15Å; V2618-S2621 PolarHBondContact O-OG 3.28Å; E2619-S2621 VanDerWaalsContact C-N 3.26Å; E2619-S2621 PolarHBondContact O-N 3.13Å; S2621-N2625 PolarHBondContact O-ND2 3.35Å; S2621-N2625 VanDerWaalsContact O-ND2 3.16Å
2622	K	46.4	Very low	44.6	Very low	157.5 Å²	157.5	124.7 Å²	124.7	69%	0.685	63%	0.629	S	S	*	*	H	α-helix	trans	-84.9	-35.8	175.4	-81.3	-174.3	172.9	-177.9	0	113.2	V2618 E2619 R2620 D2624 N2625 E2626	V2618-K2622 PolarHBondContact O-N 3.44Å; E2619-K2622 PolarHBondContact O-N 3.07Å; E2619-K2622 VanDerWaalsContact O-N 3.1Å; R2620-K2622 VanDerWaalsContact C-N 3.27Å; R2620-K2622 PolarHBondContact O-N 3.04Å; R2620-K2622 VanDerWaalsContact O-N 3.12Å; K2622-D2624 VanDerWaalsContact C-N 3.35Å; K2622-D2624 PolarHBondContact O-N 2.71Å; K2622-N2625 PolarHBondContact O-N 2.8Å; K2622-E2626 PolarHBondContact O-N 2.76Å; K2622-E2626 VanDerWaalsContact O-N 3.17Å
2623	A	44.3	Very low	44.1	Very low	63.5 Å²	63.5	127.3 Å²	127.3	53%	0.525	64%	0.638	S	S	.	*	H	α-helix	trans	-66.6	-38.4	-171.3	0	0	0	0	0	113.4	E2619 R2620 K2627	E2619-A2623 PolarHBondContact O-N 3Å; E2619-A2623 VanDerWaalsContact O-N 3.07Å; R2620-A2623 PolarHBondContact O-N 2.84Å; A2623-K2627 PolarHBondContact O-N 2.88Å
2624	D	46.8	Very low	43.8	Very low	117 Å²	117	130.2 Å²	130.2	63%	0.626	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-29.1	-174.2	-66.9	-34	0	0	0	113.3	R2620 K2622 K2627 F2628	R2620-D2624 PolarHBondContact O-N 3.29Å; K2622-D2624 VanDerWaalsContact C-N 3.35Å; K2622-D2624 PolarHBondContact O-N 2.71Å; D2624-K2627 PolarHBondContact O-N 3.4Å; D2624-F2628 PolarHBondContact O-N 2.85Å
2625	N	46.3	Very low	43.5	Very low	116.5 Å²	116.5	133 Å²	133	62%	0.623	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-71.7	-36.7	-177.8	-78.7	-59.2	0	0	0	113.3	S2621 K2622 K2627 F2628	S2621-N2625 PolarHBondContact O-ND2 3.35Å; S2621-N2625 VanDerWaalsContact O-ND2 3.16Å; K2622-N2625 PolarHBondContact O-N 2.8Å; N2625-K2627 VanDerWaalsContact C-N 3.31Å; N2625-K2627 PolarHBondContact O-N 3.02Å; N2625-F2628 PolarHBondContact O-N 3.48Å
2626	E	48	Very low	42.7	Very low	134 Å²	134	133.3 Å²	133.3	63%	0.626	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-72.2	-23.6	179.7	-70.3	-164.2	173.9	0	0	113.4	K2622 F2628 I2629 R2630	K2622-E2626 PolarHBondContact O-N 2.76Å; K2622-E2626 VanDerWaalsContact O-N 3.17Å; E2626-F2628 VanDerWaalsContact C-N 3.3Å; E2626-F2628 PolarHBondContact O-N 2.84Å; E2626-I2629 PolarHBondContact O-N 3.24Å; E2626-R2630 WeakPolarHBondContact O-CG 3.49Å; E2626-R2630 PolarHBondContact O-N 2.83Å; E2626-R2630 IonicContact OE2-CZ 3.62Å; E2626-R2630 IonicContact OE2-NE 3.76Å; E2626-R2630 IonicContact OE2-NH2 2.84Å; E2626-R2630 PolarHBondContact OE2-NH2 3.49Å
2627	K	42.9	Very low	42.3	Very low	165.5 Å²	165.5	134.9 Å²	134.9	72%	0.72	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-77.5	-18	-174.3	-137.6	171.7	-172.9	175.3	0	114.1	A2623 D2624 N2625	A2623-K2627 PolarHBondContact O-N 2.88Å; D2624-K2627 PolarHBondContact O-N 3.4Å; N2625-K2627 VanDerWaalsContact C-N 3.31Å; N2625-K2627 PolarHBondContact O-N 3.02Å
2628	F	39.5	Very low	41.9	Very low	189 Å²	189	136.9 Å²	136.9	83%	0.829	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-86.8	-17.8	-177.3	-123.7	-88	0	0	0	114.1	D2624 N2625 E2626	D2624-F2628 PolarHBondContact O-N 2.85Å; N2625-F2628 PolarHBondContact O-N 3.48Å; E2626-F2628 VanDerWaalsContact C-N 3.3Å; E2626-F2628 PolarHBondContact O-N 2.84Å
2629	I	47.1	Very low	41.4	Very low	141.5 Å²	141.5	137.9 Å²	137.9	73%	0.726	70%	0.697	S	S	*	*	S	Bend	trans	-89	-17.5	-170.6	-64.9	172.6	0	0	0	112.7	E2626 K2631	E2626-I2629 PolarHBondContact O-N 3.24Å; I2629-K2631 PolarHBondContact O-N 2.75Å; I2629-K2631 VanDerWaalsContact O-N 3.09Å
2630	R	43.2	Very low	40.9	Very low	213 Å²	213	137.5 Å²	137.5	80%	0.804	70%	0.7	S	S	*	*	S	Bend	trans	-98.3	27.1	-171.9	-63	-170.9	-171.4	-159.5	6	116.3	E2626	E2626-R2630 WeakPolarHBondContact O-CG 3.49Å; E2626-R2630 PolarHBondContact O-N 2.83Å; E2626-R2630 IonicContact OE2-CZ 3.62Å; E2626-R2630 IonicContact OE2-NE 3.76Å; E2626-R2630 IonicContact OE2-NH2 2.84Å; E2626-R2630 PolarHBondContact OE2-NH2 3.49Å
2631	K	40.9	Very low	40.4	Very low	201.5 Å²	201.5	135.8 Å²	135.8	88%	0.876	70%	0.703	S	S	*	*			trans	-137.5	69	171.3	-82	-166.6	173.4	-171.9	0	113.2	I2629	I2629-K2631 PolarHBondContact O-N 2.75Å; I2629-K2631 VanDerWaalsContact O-N 3.09Å
2632	G	35.6	Very low	40	Very low	67.5 Å²	67.5	138.6 Å²	138.6	70%	0.696	71%	0.712	S	S	*	*			trans	-135.5	124.9	175.8	0	0	0	0	0	111.6
2633	E	35.8	Very low	39.6	Very low	173 Å²	173	136.6 Å²	136.6	81%	0.808	71%	0.713	S	S	*	*			trans	140.2	140.4	178.5	-65.4	-158.5	92.7	0	0	112.1
2634	N	34.5	Very low	39.1	Very low	123 Å²	123	141.7 Å²	141.7	66%	0.658	73%	0.726	S	S	*	*			cis	-157	141.5	-19.8	-95.6	-38.9	0	0	0	108.8
2635	V	35.8	Very low	38.7	Very low	132.5 Å²	132.5	143.4 Å²	143.4	80%	0.803	74%	0.735	S	S	*	*			trans	144.6	125.5	164.8	174.6	0	0	0	0	113.9	I2637	V2635-I2637 HydrophobicContact CG1-CD1 4.31Å; V2635-I2637 HydrophobicContact CG1-CG1 4.19Å
2636	N	31.4	Very low	38.3	Very low	140 Å²	140	146 Å²	146	75%	0.749	74%	0.743	S	S	*	*				-130	136.6	-118.8	-103.4	-5.1	0	0	0	110.2
2637	I	37.8	Very low	37.8	Very low	141 Å²	141	146 Å²	146	72%	0.723	75%	0.747	S	S	*	*			trans	150.5	143.5	154.9	-67	172.5	0	0	0	114.4	V2635	V2635-I2637 HydrophobicContact CG1-CD1 4.31Å; V2635-I2637 HydrophobicContact CG1-CG1 4.19Å
2638	D	38.6	Very low	37.6	Very low	142 Å²	142	144.8 Å²	144.8	76%	0.759	75%	0.749	S	S	*	*			trans	-5.1	142.3	-177.9	-67.5	-45.6	0	0	0	118.4	N2640	D2638-N2640 PolarHBondContact O-N 2.66Å
2639	V	37	Very low	37.4	Very low	112.5 Å²	112.5	142 Å²	142	68%	0.682	75%	0.747	S	S	*	*			cis	112.9	111.8	32.6	160	0	0	0	0	114.3
2640	N	35.7	Very low	36.8	Very low	134.5 Å²	134.5	139.7 Å²	139.7	72%	0.719	74%	0.744	S	S	*	*			trans	112.8	133.5	136.3	-78.6	-8.7	0	0	0	120.1	D2638	D2638-N2640 PolarHBondContact O-N 2.66Å
2641	N	34.8	Very low	36.4	Very low	117.5 Å²	117.5	135.8 Å²	135.8	63%	0.628	74%	0.739	S	S	*	*			trans	66.5	126	134.9	-73.8	56	0	0	0	124.5
2642	D	37.2	Very low	36	Very low	128.5 Å²	128.5	132.7 Å²	132.7	69%	0.687	73%	0.732	S	S	*	*			trans	69.8	137.8	130.4	-49.2	-17.5	0	0	0	121.3
2643	T	37.8	Very low	35.6	Very low	114.5 Å²	114.5	136.1 Å²	136.1	70%	0.702	74%	0.743	S	S	*	*				128.1	136	81	27.5	0	0	0	0	114
2644	E	35	Very low	35.3	Very low	170.5 Å²	170.5	132.6 Å²	132.6	80%	0.797	74%	0.738	S	S	*	*				80.2	129.5	111.2	-78.9	169.1	-171.2	0	0	115.3
2645	D	38.2	Very low	35	Very low	153 Å²	153	134.4 Å²	134.4	82%	0.818	74%	0.744	S	S	*	*			trans	121.7	137.1	141.7	-77.8	-24.8	0	0	0	115.4
2646	E	37.4	Very low	34.7	Very low	170.5 Å²	170.5	134 Å²	134	80%	0.797	74%	0.738	S	S	*	*				74.8	132.2	109.1	-69.7	-77.5	135.5	0	0	118.5
2647	D	37.7	Very low	34.6	Very low	134 Å²	134	135.7 Å²	135.7	72%	0.717	75%	0.745	S	S	*	*			trans	76.3	138.7	154.3	-94.3	-11.1	0	0	0	123.6
2648	N	38.1	Very low	34	Very low	140.5 Å²	140.5	134.4 Å²	134.4	75%	0.751	74%	0.744	S	S	*	*			trans	82.3	99.5	168.5	-57.5	-74.7	0	0	0	119
2649	V	36.1	Very low	33.7	Very low	130 Å²	130	136 Å²	136	79%	0.788	75%	0.747	S	S	*	*				65.4	100.2	90	-168.3	0	0	0	0	114.4
2650	S	34.2	Very low	33.2	Very low	93.5 Å²	93.5	139.5 Å²	139.5	65%	0.654	76%	0.761	S	S	*	*				-109.6	170.3	81.3	58.6	0	0	0	0	114.2
2651	N	35.3	Very low	32.7	Very low	132 Å²	132	141.2 Å²	141.2	71%	0.706	76%	0.764	S	S	*	*				146.4	141.6	78.5	-93.7	14	0	0	0	116.6
2652	D	32.4	Very low	32.4	Very low	136 Å²	136	140.1 Å²	140.1	73%	0.727	77%	0.766	S	S	*	*			trans	73.2	81.8	138.9	-56.7	-18.9	0	0	0	120.9	S2654	D2652-S2654 VanDerWaalsContact C-N 3.29Å; D2652-S2654 PolarHBondContact O-N 2.82Å
2653	C	27.5	Very low	31.9	Very low	139 Å²	139	140.1 Å²	140.1	94%	0.939	77%	0.771	S	S	*	*			trans	-71.7	117.1	154.1	-67.7	0	0	0	0	111.8
2654	S	29.1	Very low	31.5	Very low	99 Å²	99	141.3 Å²	141.3	69%	0.692	77%	0.766	S	S	*	*			trans	-155.2	118.5	152.5	56.6	0	0	0	0	113.2	D2652	D2652-S2654 VanDerWaalsContact C-N 3.29Å; D2652-S2654 PolarHBondContact O-N 2.82Å
2655	M	28.2	Very low	31.4	Very low	160.5 Å²	160.5	139.5 Å²	139.5	79%	0.791	76%	0.762	S	S	*	*			trans	135.5	151	163.9	-71.5	-53.3	-140.8	0	0	113.6
2656	N	28.8	Very low	31.4	Very low	125 Å²	125	137.7 Å²	137.7	67%	0.668	75%	0.747	S	S	*	*				147.6	80.8	83.9	-74.7	-36.3	0	0	0	116.3	T2658	N2656-T2658 VanDerWaalsContact C-N 3.27Å; N2656-T2658 PolarHBondContact O-N 3.25Å
2657	I	29.2	Very low	31.8	Very low	176.5 Å²	176.5	133.4 Å²	133.4	91%	0.905	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	61.6	164.3	-49.8	179.9	0	0	0	110.1
2658	T	26.8	Very low	32.6	Very low	112 Å²	112	131.5 Å²	131.5	69%	0.687	71%	0.713	S	S	*	*			trans	-150.2	36.8	-178	31.6	0	0	0	0	114.6	N2656	N2656-T2658 VanDerWaalsContact C-N 3.27Å; N2656-T2658 PolarHBondContact O-N 3.25Å
2659	Q	30.6	Very low	33.4	Very low	177 Å²	177	128.3 Å²	128.3	83%	0.827	70%	0.695	S	S	*	*			trans	-132.1	13.4	168.9	-98.1	-179.3	30.4	0	0	115.9	Q2661	Q2659-Q2661 PolarHBondContact O-N 2.92Å
2660	L	27.4	Very low	34.4	Very low	186.5 Å²	186.5	125.7 Å²	125.7	98%	0.976	67%	0.672	S	S	*	*			trans	-78	52.5	164.3	-90.1	163.9	0	0	0	111.7
2661	Q	26.1	Very low	35.6	Very low	169 Å²	169	122.5 Å²	122.5	79%	0.79	65%	0.647	S	S	*	*			trans	-107.9	116.9	168.8	-74.7	-166.9	-8.3	0	0	110.6	Q2659 T2663	Q2659-Q2661 PolarHBondContact O-N 2.92Å; Q2661-T2663 PolarHBondContact O-N 3.2Å
2662	S	27.1	Very low	36.5	Very low	95 Å²	95	121.3 Å²	121.3	66%	0.664	65%	0.646	S	S	*	*			trans	5.5	76.8	163.1	127.8	0	0	0	0	115	K2664	S2662-K2664 PolarHBondContact O-N 3.1Å; S2662-K2664 VanDerWaalsContact O-N 3.09Å; S2662-K2664 WeakPolarHBondContact OG-CE 3.37Å
2663	T	28	Very low	37.8	Very low	129 Å²	129	121.4 Å²	121.4	79%	0.791	64%	0.643	S	S	*	*			trans	-73.4	70.9	158.3	40.1	0	0	0	0	109.9	Q2661 N2665	Q2661-T2663 PolarHBondContact O-N 3.2Å; T2663-N2665 PolarHBondContact O-N 3.13Å
2664	K	29.6	Very low	39.3	Very low	138 Å²	138	115.8 Å²	115.8	60%	0.6	60%	0.604	S	S	*	*			trans	-71.1	79.9	169.5	-75.4	-175.8	177	179.4	0	108.9	S2662 F2666	S2662-K2664 PolarHBondContact O-N 3.1Å; S2662-K2664 VanDerWaalsContact O-N 3.09Å; S2662-K2664 WeakPolarHBondContact OG-CE 3.37Å; K2664-F2666 HydrophobicContact CB-CD1 4.32Å; K2664-F2666 HydrophobicContact CB-CD2 4.44Å; K2664-F2666 HydrophobicContact CB-CE1 3.83Å; K2664-F2666 HydrophobicContact CB-CE2 4.06Å; K2664-F2666 HydrophobicContact CB-CZ 4.02Å; K2664-F2666 HydrophobicContact CD-CE1 4.28Å; K2664-F2666 HydrophobicContact CD-CZ 4.25Å; K2664-F2666 VanDerWaalsContact O-CD2 3.26Å; K2664-F2666 WeakPolarHBondContact O-CD2 3.39Å; K2664-F2666 WeakPolarHBondContact O-CG 3.43Å; K2664-F2666 PolarHBondContact O-N 3.04Å
2665	N	31.4	Very low	40.8	Very low	133 Å²	133	115.7 Å²	115.7	71%	0.711	60%	0.596	S	S	*	*			trans	-59	116.1	162.6	-69.1	-2.6	0	0	0	106.9	T2663	T2663-N2665 PolarHBondContact O-N 3.13Å
2666	F	38.9	Very low	42.9	Very low	115 Å²	115	111.8 Å²	111.8	50%	0.504	58%	0.578	S	S	.	*			trans	-97.5	104.9	178.9	-70.3	-73.8	0	0	0	108.1	K2518 K2664 Y2668	K2518-F2666 HydrophobicContact CD-CD1 4.47Å; K2518-F2666 VanDerWaalsContact CE-CG 3.43Å; K2664-F2666 HydrophobicContact CB-CD1 4.32Å; K2664-F2666 HydrophobicContact CB-CD2 4.44Å; K2664-F2666 HydrophobicContact CB-CE1 3.83Å; K2664-F2666 HydrophobicContact CB-CE2 4.06Å; K2664-F2666 HydrophobicContact CB-CZ 4.02Å; K2664-F2666 HydrophobicContact CD-CE1 4.28Å; K2664-F2666 HydrophobicContact CD-CZ 4.25Å; K2664-F2666 VanDerWaalsContact O-CD2 3.26Å; K2664-F2666 WeakPolarHBondContact O-CD2 3.39Å; K2664-F2666 WeakPolarHBondContact O-CG 3.43Å; K2664-F2666 PolarHBondContact O-N 3.04Å; F2666-Y2668 HydrophobicContact CB-CD2 4.29Å; F2666-Y2668 HydrophobicContact CB-CE2 3.87Å; F2666-Y2668 WeakPolarHBondContact O-CD2 3.42Å; F2666-Y2668 PolarHBondContact O-N 3.44Å; F2666-Y2668 VanDerWaalsContact O-N 3.11Å
2667	D	45.9	Very low	45.2	Very low	80.5 Å²	80.5	107.1 Å²	107.1	43%	0.43	55%	0.553	S	S	.	*			trans	-66.8	112.3	174.9	-57	-22.4	0	0	0	109.1	K2519	K2519-D2667 PolarHBondContact N-O 2.87Å; K2519-D2667 IonicContact NZ-OD2 3.28Å
2668	Y	53.4	Low	47.8	Very low	94.5 Å²	94.5	101 Å²	101	37%	0.371	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.8	172.7	-71.1	-85	0	0	0	109.3	R2516 M2517 K2518 F2666	R2516-Y2668 HydrophobicContact CB-CD1 4.22Å; R2516-Y2668 HydrophobicContact CG-CD1 4.44Å; M2517-Y2668 WeakPolarHBondContact O-CA 3.32Å; K2518-Y2668 HydrophobicContact CB-CD1 4.31Å; K2518-Y2668 HydrophobicContact CB-CE1 4.18Å; K2518-Y2668 HydrophobicContact CD-CE1 4.17Å; K2518-Y2668 HydrophobicContact CG-CD1 3.97Å; K2518-Y2668 HydrophobicContact CG-CE1 3.88Å; F2666-Y2668 HydrophobicContact CB-CD2 4.29Å; F2666-Y2668 HydrophobicContact CB-CE2 3.87Å; F2666-Y2668 WeakPolarHBondContact O-CD2 3.42Å; F2666-Y2668 PolarHBondContact O-N 3.44Å; F2666-Y2668 VanDerWaalsContact O-N 3.11Å
2669	I	56.1	Low	50.6	Low	72.5 Å²	72.5	95.7 Å²	95.7	37%	0.372	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.3	173.2	-57.7	175	0	0	0	107.7	R2516 M2517	R2516-I2669 WeakPolarHBondContact CA-O 3.3Å; M2517-I2669 HydrophobicContact CB-CB 4.28Å; M2517-I2669 PolarHBondContact N-O 3.02Å; M2517-I2669 PolarHBondContact O-N 3.4Å
2670	Y	57	Low	53.3	Low	77 Å²	77	88.3 Å²	88.3	30%	0.302	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.8	171	-69.2	-90.3	0	0	0	109.6	V1964 N1966 P2514 A2515 R2516	V1964-Y2670 HydrophobicContact CG1-CD2 4.41Å; V1964-Y2670 HydrophobicContact CG1-CE1 4.06Å; V1964-Y2670 HydrophobicContact CG1-CE2 3.6Å; V1964-Y2670 WeakPolarHBondContact CG1-OH 3.04Å; N1966-Y2670 WeakPolarHBondContact OD1-CD2 3.31Å; N1966-Y2670 WeakPolarHBondContact OD1-CE2 3.45Å; P2514-Y2670 HydrophobicContact CB-CD1 4.42Å; P2514-Y2670 HydrophobicContact CB-CE1 4.05Å; A2515-Y2670 WeakPolarHBondContact O-CA 3.39Å; R2516-Y2670 HydrophobicContact CG-CD1 3.93Å; R2516-Y2670 HydrophobicContact CG-CE1 3.74Å; R2516-Y2670 VanDerWaalsContact NE-CE1 3.32Å; R2516-Y2670 PolarHBondContact NE-OH 3.11Å; R2516-Y2670 PolarHBondContact NH2-OH 2.77Å
2671	L	58.1	Low	56.2	Low	25.5 Å²	25.5	79.8 Å²	79.8	13%	0.134	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-86.5	148.2	176	-72.1	129.1	0	0	0	110.5	A2515 M2517 V2540 L2605	A2515-L2671 HydrophobicContact CB-CB 4.12Å; A2515-L2671 PolarHBondContact O-N 3.15Å; M2517-L2671 HydrophobicContact CB-CD1 3.93Å; M2517-L2671 HydrophobicContact CB-CG 3.99Å; M2517-L2671 HydrophobicContact CG-CD1 4.4Å; M2517-L2671 HydrophobicContact SD-CD1 4.3Å; M2517-L2671 HydrophobicContact SD-CD2 3.88Å; M2517-L2671 HydrophobicContact SD-CG 4.31Å; V2540-L2671 HydrophobicContact CG1-CD1 3.82Å; L2605-L2671 HydrophobicContact CD2-CD2 4.06Å
2672	P	55.5	Low	59.2	Low	106 Å²	106	73.7 Å²	73.7	69%	0.688	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-56.6	161.8	162.6	2.5	-0.3	0	0	0	111.4
2673	Q	59.1	Low	62.2	Low	139.5 Å²	139.5	70.8 Å²	70.8	65%	0.652	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-56.7	128.3	-178.8	-123.1	176.9	-7.6	0	0	111	N2675	Q2673-N2675 PolarHBondContact O-N 3.25Å; Q2673-N2675 PolarHBondContact O-OD1 2.9Å
2674	P	60.1	Low	65	Low	21 Å²	21	65.6 Å²	65.6	14%	0.136	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-77.3	118.2	-173.8	30.1	-35.9	0	0	0	111.5	F2543 P2599 N2676 L2677	F2543-P2674 HydrophobicContact CD1-CG 4.44Å; F2543-P2674 HydrophobicContact CD2-CG 3.93Å; F2543-P2674 HydrophobicContact CE2-CG 4.06Å; F2543-P2674 HydrophobicContact CG-CG 4.12Å; F2543-P2674 HydrophobicContact CZ-CG 4.36Å; P2599-P2674 HydrophobicContact CB-CB 3.71Å; P2599-P2674 HydrophobicContact CB-CG 3.95Å; P2674-N2676 VanDerWaalsContact C-N 3.29Å; P2674-N2676 PolarHBondContact O-N 3.17Å; P2674-L2677 HydrophobicContact CB-CD2 4.26Å; P2674-L2677 HydrophobicContact CG-CD2 3.81Å
2675	N	60.4	Low	67.8	Low	97.5 Å²	97.5	60.4 Å²	60.4	52%	0.521	30%	0.304	S	S	.	.	S	Bend	trans	-67.6	-26.8	175.2	-64.3	6.5	0	0	0	112.6	Q2673 N2787 P2789 V2790	Q2673-N2675 PolarHBondContact O-N 3.25Å; Q2673-N2675 PolarHBondContact O-OD1 2.9Å; N2675-N2787 PolarHBondContact ND2-OD1 2.92Å; N2675-P2789 WeakPolarHBondContact O-CA 3.22Å; N2675-P2789 WeakPolarHBondContact O-CB 3.17Å; N2675-V2790 PolarHBondContact O-N 2.9Å
2676	N	71.5	Confident	70.4	Confident	77 Å²	77	55.5 Å²	55.5	41%	0.412	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.1	-178.6	-67.8	-29.5	0	0	0	110.8	V2600 P2674	V2600-N2676 HydrophobicContact CB-CB 4.02Å; V2600-N2676 HydrophobicContact CG2-CB 3.95Å; V2600-N2676 PolarHBondContact N-O 3.14Å; V2600-N2676 VanDerWaalsContact N-O 3.16Å; P2674-N2676 VanDerWaalsContact C-N 3.29Å; P2674-N2676 PolarHBondContact O-N 3.17Å
2677	L	77.8	Confident	72.6	Confident	27 Å²	27	51.2 Å²	51.2	14%	0.141	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.2	-176.6	-69.3	174.1	0	0	0	111.5	F2543 W2598 P2674 V2790 F2792	F2543-L2677 HydrophobicContact CB-CD2 4.13Å; F2543-L2677 HydrophobicContact CD1-CD1 4.11Å; F2543-L2677 HydrophobicContact CD1-CD2 3.76Å; F2543-L2677 HydrophobicContact CE1-CD1 4.31Å; F2543-L2677 HydrophobicContact CE1-CD2 4.49Å; F2543-L2677 HydrophobicContact CG-CD2 4.13Å; W2598-L2677 WeakPolarHBondContact O-CA 3.38Å; P2674-L2677 HydrophobicContact CB-CD2 4.26Å; P2674-L2677 HydrophobicContact CG-CD2 3.81Å; L2677-V2790 PolarHBondContact N-O 3.09Å; L2677-F2792 PolarHBondContact O-N 2.9Å
2678	E	83.3	Confident	74.7	Confident	49.5 Å²	49.5	48.3 Å²	48.3	23%	0.231	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.1	169.5	-71.8	-171	167.4	0	0	110.8	C2597 W2598 V2600 F2792 R2794	C2597-E2678 CarbonylContact C-O 3.53Å; C2597-E2678 VanDerWaalsContact CA-O 3.29Å; C2597-E2678 WeakPolarHBondContact CA-O 3.35Å; W2598-E2678 HydrophobicContact CB-CB 4.37Å; W2598-E2678 PolarHBondContact N-O 3.32Å; W2598-E2678 PolarHBondContact O-N 3.11Å; V2600-E2678 HydrophobicContact CG2-CG 3.86Å; E2678-F2792 CarbonylContact C-O 3.55Å; E2678-F2792 WeakPolarHBondContact CA-O 3.4Å; E2678-F2792 HydrophobicContact CG-CD1 4.25Å; E2678-R2794 WeakPolarHBondContact OE2-CD 3.26Å; E2678-R2794 IonicContact OE2-CZ 2.84Å; E2678-R2794 VanDerWaalsContact OE2-CZ 3.31Å; E2678-R2794 IonicContact OE2-NE 3.53Å; E2678-R2794 IonicContact OE2-NH1 3.7Å; E2678-R2794 PolarHBondContact OE2-NH1 3.17Å
2679	V	85.7	Confident	76.4	Confident	0.5 Å²	0.5	44.5 Å²	44.5	0%	0.003	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.4	-173.2	-176.8	0	0	0	0	111.8	V2595 V2596 C2597 I2681 L2791 F2792 I2793 R2794 K2795	V2595-V2679 HydrophobicContact CG1-CG1 3.31Å; V2596-V2679 WeakPolarHBondContact O-CA 3.29Å; C2597-V2679 HydrophobicContact CB-CG2 4.32Å; V2679-I2681 HydrophobicContact CG1-CD1 4.18Å; V2679-I2681 HydrophobicContact CG1-CG1 3.87Å; V2679-L2791 HydrophobicContact CB-CD2 4.09Å; V2679-L2791 HydrophobicContact CG2-CD1 4.25Å; V2679-L2791 HydrophobicContact CG2-CD2 3.62Å; V2679-L2791 HydrophobicContact CG2-CG 3.68Å; V2679-F2792 PolarHBondContact N-O 2.87Å; V2679-I2793 CarbonylContact O-C 3.54Å; V2679-I2793 WeakPolarHBondContact O-CA 3.4Å; V2679-R2794 PolarHBondContact O-N 2.87Å; V2679-K2795 PolarHBondContact O-N 3.31Å
2680	E	86.1	Confident	78	Confident	20.5 Å²	20.5	42.9 Å²	42.9	10%	0.096	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.5	170.5	-56.1	-159.1	157.1	0	0	110.5	N2233 V2595 V2596 R2794 K2795	N2233-E2680 VanDerWaalsContact ND2-CB 3.31Å; N2233-E2680 WeakPolarHBondContact ND2-CB 3.12Å; N2233-E2680 PolarHBondContact ND2-O 3.16Å; N2233-E2680 VanDerWaalsContact OD1-C 3.23Å; N2233-E2680 WeakPolarHBondContact OD1-CB 3.42Å; V2595-E2680 CarbonylContact C-O 3.57Å; V2595-E2680 WeakPolarHBondContact CA-O 3.25Å; V2596-E2680 PolarHBondContact N-O 3.25Å; V2596-E2680 PolarHBondContact O-N 2.92Å; E2680-R2794 IonicContact OE1-CZ 2.66Å; E2680-R2794 IonicContact OE1-NE 3.24Å; E2680-R2794 PolarHBondContact OE1-NE 3.47Å; E2680-R2794 VanDerWaalsContact OE1-NE 3.1Å; E2680-R2794 IonicContact OE1-NH2 2.67Å; E2680-R2794 PolarHBondContact OE1-NH2 3.34Å; E2680-K2795 WeakPolarHBondContact CA-O 3.49Å; E2680-K2795 HydrophobicContact CB-CB 4.21Å; E2680-K2795 HydrophobicContact CB-CD 4.05Å; E2680-K2795 HydrophobicContact CG-CB 3.95Å; E2680-K2795 HydrophobicContact CG-CD 3.73Å; E2680-K2795 HydrophobicContact CG-CG 4.47Å; E2680-K2795 WeakPolarHBondContact OE1-CD 3.29Å; E2680-K2795 WeakPolarHBondContact OE1-CE 2.98Å; E2680-K2795 IonicContact OE1-NZ 2.65Å; E2680-K2795 PolarHBondContact OE1-NZ 2.9Å; E2680-K2795 WeakPolarHBondContact OE2-CD 3.21Å; E2680-K2795 IonicContact OE2-NZ 2.72Å; E2680-K2795 PolarHBondContact OE2-NZ 3.29Å
2681	I	89.4	Confident	79.6	Confident	7.5 Å²	7.5	39.8 Å²	39.8	4%	0.038	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.8	-172.5	-56.1	176.4	0	0	0	110.3	H2232 N2233 M2593 V2595 V2679 I2793 K2795 F2796 T2797 F2849 L2852	H2232-I2681 PolarHBondContact CD2-O 3.21Å; N2233-I2681 PolarHBondContact OD1-N 3.02Å; M2593-I2681 HydrophobicContact CG-CG2 4.45Å; V2595-I2681 HydrophobicContact CG1-CD1 4.44Å; V2595-I2681 HydrophobicContact CG1-CG1 4.12Å; V2595-I2681 HydrophobicContact CG2-CD1 4.42Å; V2595-I2681 HydrophobicContact CG2-CG1 4.27Å; V2595-I2681 HydrophobicContact CG2-CG2 4.35Å; V2679-I2681 HydrophobicContact CG1-CD1 4.18Å; V2679-I2681 HydrophobicContact CG1-CG1 3.87Å; I2681-I2793 HydrophobicContact CD1-CD1 4.4Å; I2681-I2793 HydrophobicContact CD1-CG2 3.86Å; I2681-I2793 HydrophobicContact CG1-CG2 4.3Å; I2681-K2795 PolarHBondContact N-O 3.25Å; I2681-F2796 HydrophobicContact CB-CD2 3.86Å; I2681-F2796 HydrophobicContact CG2-CD2 3.66Å; I2681-F2796 HydrophobicContact CG2-CE2 3.98Å; I2681-F2796 WeakPolarHBondContact O-CA 3.12Å; I2681-T2797 PolarHBondContact O-N 3.45Å; I2681-F2849 HydrophobicContact CD1-CE1 3.65Å; I2681-F2849 HydrophobicContact CD1-CZ 4.29Å; I2681-L2852 HydrophobicContact CD1-CD2 4.38Å
2682	K	88.6	Confident	81	Confident	42 Å²	42	40 Å²	40	18%	0.183	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.5	166.1	-97.7	-178.1	-163.5	131.9	0	110.6	I2108 H2232 N2233 S2234 M2593 V2594 T2797	I2108-K2682 PolarHBondContact O-NZ 2.85Å; H2232-K2682 VanDerWaalsContact C-NZ 3.32Å; H2232-K2682 HydrophobicContact CB-CG 3.96Å; H2232-K2682 VanDerWaalsContact CD2-CA 3.41Å; H2232-K2682 WeakPolarHBondContact CD2-CA 3.49Å; H2232-K2682 VanDerWaalsContact CD2-CG 3.49Å; H2232-K2682 WeakPolarHBondContact CD2-CG 3.46Å; H2232-K2682 WeakPolarHBondContact CE1-CG 3.39Å; H2232-K2682 VanDerWaalsContact ND1-CE 3.29Å; H2232-K2682 WeakPolarHBondContact ND1-CE 3.21Å; H2232-K2682 WeakPolarHBondContact ND1-CG 3.11Å; H2232-K2682 PolarHBondContact O-NZ 2.82Å; N2233-K2682 VanDerWaalsContact C-CD 3.42Å; N2233-K2682 HydrophobicContact CB-CB 4.11Å; N2233-K2682 VanDerWaalsContact N-CG 3.34Å; N2233-K2682 VanDerWaalsContact O-CD 3.31Å; N2233-K2682 WeakPolarHBondContact O-CD 3.4Å; N2233-K2682 PolarHBondContact O-NZ 3.02Å; S2234-K2682 WeakPolarHBondContact OG-CD 3.3Å; M2593-K2682 CarbonylContact C-O 3.54Å; M2593-K2682 WeakPolarHBondContact CA-O 3.4Å; M2593-K2682 WeakPolarHBondContact CG-O 3.28Å; V2594-K2682 PolarHBondContact N-O 2.88Å; V2594-K2682 PolarHBondContact O-N 3.34Å; K2682-T2797 WeakPolarHBondContact CA-O 3.48Å
2683	L	90.3	Very high	82.6	Confident	33.5 Å²	33.5	34.9 Å²	34.9	18%	0.175	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.7	167.5	175	60.3	0	0	0	108.8	H2232 L2591 R2592 M2593 I2685 F2796 T2797 F2798 Y2799	H2232-L2683 PolarHBondContact CE1-O 3.28Å; H2232-L2683 PolarHBondContact NE2-N 3.06Å; H2232-L2683 PolarHBondContact NE2-O 2.75Å; L2591-L2683 HydrophobicContact CD1-CD1 4.08Å; L2591-L2683 HydrophobicContact CD2-CD1 4.23Å; L2591-L2683 HydrophobicContact CG-CD1 3.95Å; R2592-L2683 CarbonylContact O-C 3.2Å; R2592-L2683 WeakPolarHBondContact O-CA 3.36Å; M2593-L2683 HydrophobicContact CB-CD1 3.97Å; M2593-L2683 HydrophobicContact CG-CD1 4.17Å; L2683-I2685 HydrophobicContact CD1-CD1 4.08Å; L2683-I2685 HydrophobicContact CD1-CG1 4.08Å; L2683-I2685 HydrophobicContact CD2-CD1 4.24Å; L2683-I2685 HydrophobicContact CG-CD1 4.24Å; L2683-I2685 HydrophobicContact CG-CG1 4.13Å; L2683-F2796 HydrophobicContact CB-CE2 3.92Å; L2683-F2796 HydrophobicContact CB-CZ 4.41Å; L2683-F2796 HydrophobicContact CD2-CE2 4.23Å; L2683-F2796 HydrophobicContact CD2-CZ 4.09Å; L2683-T2797 PolarHBondContact N-O 3.1Å; L2683-F2798 HydrophobicContact CD2-CD2 4.28Å; L2683-F2798 HydrophobicContact CD2-CE2 4.29Å; L2683-F2798 HydrophobicContact CG-CD2 4.31Å; L2683-F2798 HydrophobicContact CG-CE2 4.37Å; L2683-F2798 WeakPolarHBondContact O-CA 3.43Å; L2683-Y2799 PolarHBondContact O-N 2.87Å; L2683-Y2799 VanDerWaalsContact O-N 3.07Å
2684	S	87.1	Confident	83.9	Confident	20.5 Å²	20.5	28.5 Å²	28.5	14%	0.143	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.5	175.1	60.8	0	0	0	0	110.7	L2591 R2592 Y2799	L2591-S2684 CarbonylContact C-O 3.46Å; L2591-S2684 WeakPolarHBondContact CA-O 3.34Å; R2592-S2684 VanDerWaalsContact CB-OG 3.3Å; R2592-S2684 WeakPolarHBondContact CB-OG 3.21Å; R2592-S2684 VanDerWaalsContact CD-OG 3.32Å; R2592-S2684 WeakPolarHBondContact CD-OG 3.47Å; R2592-S2684 VanDerWaalsContact CG-OG 3.32Å; R2592-S2684 WeakPolarHBondContact CG-OG 3.37Å; R2592-S2684 PolarHBondContact N-O 3.2Å; R2592-S2684 PolarHBondContact O-N 2.99Å; R2592-S2684 PolarHBondContact O-OG 3.33Å; R2592-S2684 VanDerWaalsContact O-OG 3.06Å; S2684-Y2799 WeakPolarHBondContact CA-O 3.2Å; S2684-Y2799 WeakPolarHBondContact CB-O 3.37Å
2685	I	87.9	Confident	85.2	Confident	29 Å²	29	30.1 Å²	30.1	15%	0.149	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.6	-173.4	-45.2	-176.4	0	0	0	109.2	M2590 L2683 L2688 F2798 L2802	M2590-I2685 CarbonylContact O-C 3.53Å; M2590-I2685 VanDerWaalsContact O-CA 3.27Å; M2590-I2685 WeakPolarHBondContact O-CA 3.19Å; M2590-I2685 WeakPolarHBondContact O-CG2 3.38Å; L2683-I2685 HydrophobicContact CD1-CD1 4.08Å; L2683-I2685 HydrophobicContact CD1-CG1 4.08Å; L2683-I2685 HydrophobicContact CD2-CD1 4.24Å; L2683-I2685 HydrophobicContact CG-CD1 4.24Å; L2683-I2685 HydrophobicContact CG-CG1 4.13Å; I2685-L2688 HydrophobicContact CG2-CD1 4.32Å; I2685-L2688 HydrophobicContact CG2-CD2 4.45Å; I2685-L2688 HydrophobicContact CG2-CG 4.4Å; I2685-F2798 HydrophobicContact CD1-CE2 3.89Å; I2685-F2798 HydrophobicContact CD1-CZ 4.27Å; I2685-F2798 HydrophobicContact CG1-CE2 4.24Å; I2685-F2798 HydrophobicContact CG1-CZ 4.3Å; I2685-L2802 HydrophobicContact CB-CD1 4.47Å; I2685-L2802 HydrophobicContact CB-CD2 4.41Å; I2685-L2802 HydrophobicContact CG2-CD1 4.41Å; I2685-L2802 HydrophobicContact CG2-CD2 4.49Å
2686	Q	85.7	Confident	86.5	Confident	30 Å²	30	25.5 Å²	25.5	14%	0.14	13%	0.128	C	C	.	.			trans	-72.8	157	169.5	-78.7	178.6	-21.2	0	0	111.8	S2570 T2588 M2590 L2688 L2802	S2570-Q2686 PolarHBondContact OG-OE1 3.17Å; T2588-Q2686 PolarHBondContact O-NE2 2.99Å; T2588-Q2686 PolarHBondContact OG1-NE2 3.13Å; M2590-Q2686 VanDerWaalsContact CA-OE1 3.27Å; M2590-Q2686 HydrophobicContact CG-CB 4.13Å; M2590-Q2686 PolarHBondContact O-N 2.91Å; Q2686-L2688 PolarHBondContact O-N 3.04Å; Q2686-L2802 WeakPolarHBondContact O-CD1 3.34Å
2687	P	86.4	Confident	87.2	Confident	24 Å²	24	25.4 Å²	25.4	16%	0.156	13%	0.127	C	C	.	.			trans	-43.6	136.1	165.3	-32.1	38.7	0	0	0	113.1	Y2571 S2803	Y2571-P2687 HydrophobicContact CD1-CB 4.33Å; Y2571-P2687 PolarHBondContact N-O 2.82Å; P2687-S2803 WeakPolarHBondContact CA-O 3.48Å
2688	L	88.7	Confident	87.5	Confident	19.5 Å²	19.5	26.6 Å²	26.6	10%	0.102	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.6	-177	-62.4	176.3	0	0	0	110.7	L2568 M2590 I2685 Q2686 L2802 S2803 I2804 H2805	L2568-L2688 HydrophobicContact CD1-CB 4.09Å; L2568-L2688 HydrophobicContact CD1-CD1 4.26Å; L2568-L2688 HydrophobicContact CD1-CD2 4.36Å; L2568-L2688 HydrophobicContact CD1-CG 4.46Å; M2590-L2688 HydrophobicContact CE-CD2 3.83Å; M2590-L2688 HydrophobicContact CG-CD2 4.17Å; M2590-L2688 HydrophobicContact SD-CD2 3.74Å; I2685-L2688 HydrophobicContact CG2-CD1 4.32Å; I2685-L2688 HydrophobicContact CG2-CD2 4.45Å; I2685-L2688 HydrophobicContact CG2-CG 4.4Å; Q2686-L2688 PolarHBondContact O-N 3.04Å; L2688-L2802 HydrophobicContact CG-CD1 4.31Å; L2688-S2803 PolarHBondContact N-O 3.43Å; L2688-I2804 HydrophobicContact CB-CG1 4.45Å; L2688-I2804 WeakPolarHBondContact O-CA 3.47Å; L2688-H2805 PolarHBondContact O-N 3.06Å
2689	K	89.1	Confident	87.6	Confident	15.5 Å²	15.5	25 Å²	25	7%	0.067	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131	165.9	-178.6	153.7	171.8	145	0	110.6	L2568 Y2569 Y2571 N2691 H2805 E3099	L2568-K2689 WeakPolarHBondContact CA-O 3.44Å; Y2569-K2689 HydrophobicContact CD1-CB 4.34Å; Y2569-K2689 WeakPolarHBondContact CD1-O 3.36Å; Y2569-K2689 HydrophobicContact CE1-CB 3.85Å; Y2569-K2689 HydrophobicContact CE1-CD 4.34Å; Y2569-K2689 HydrophobicContact CE1-CG 3.78Å; Y2569-K2689 HydrophobicContact CE2-CB 4.41Å; Y2569-K2689 PolarHBondContact N-O 2.78Å; Y2569-K2689 PolarHBondContact O-N 2.77Å; Y2569-K2689 WeakPolarHBondContact OH-CD 3.38Å; Y2571-K2689 HydrophobicContact CD2-CB 4.01Å; Y2571-K2689 HydrophobicContact CD2-CD 3.93Å; Y2571-K2689 HydrophobicContact CE2-CD 4.23Å; Y2571-K2689 HydrophobicContact CG-CB 4.41Å; K2689-N2691 WeakPolarHBondContact CE-OD1 3.09Å; K2689-H2805 CarbonylContact C-O 3.44Å; K2689-H2805 WeakPolarHBondContact CA-O 3.32Å; K2689-H2805 HydrophobicContact CB-CB 4.4Å; K2689-H2805 HydrophobicContact CD-CB 4.42Å; K2689-H2805 HydrophobicContact CG-CB 4.26Å; K2689-E3099 IonicContact NZ-OE2 3.1Å; K2689-E3099 PolarHBondContact NZ-OE2 3.32Å
2690	I	90.5	Very high	87.7	Confident	37.5 Å²	37.5	27.9 Å²	27.9	19%	0.192	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.6	-179.4	-65.4	174.9	0	0	0	108.3	L2567 L2568 L2692 I2804 H2805 L2806 D2807	L2567-I2690 CarbonylContact O-C 3.58Å; L2567-I2690 VanDerWaalsContact O-CA 3.22Å; L2567-I2690 WeakPolarHBondContact O-CA 3.23Å; L2568-I2690 HydrophobicContact CD1-CD1 4.36Å; L2568-I2690 HydrophobicContact CD1-CG1 3.63Å; I2690-L2692 HydrophobicContact CG2-CD1 3.85Å; I2690-L2692 HydrophobicContact CG2-CG 3.78Å; I2690-I2804 HydrophobicContact CD1-CG2 3.64Å; I2690-I2804 HydrophobicContact CG1-CG2 4.22Å; I2690-H2805 PolarHBondContact N-O 2.69Å; I2690-L2806 HydrophobicContact CG2-CD1 4.28Å; I2690-L2806 HydrophobicContact CG2-CG 4.35Å; I2690-L2806 WeakPolarHBondContact O-CA 3.47Å; I2690-D2807 PolarHBondContact O-N 2.88Å
2691	N	90	Very high	87.7	Confident	12 Å²	12	33.8 Å²	33.8	6%	0.064	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.2	167.9	-56	-55.4	0	0	0	108.5	V2564 Q2566 L2567 Y2569 K2689 K3103	V2564-N2691 HydrophobicContact CG1-CB 3.59Å; V2564-N2691 HydrophobicContact CG2-CB 4.33Å; Q2566-N2691 WeakPolarHBondContact O-CB 3.38Å; Q2566-N2691 PolarHBondContact O-ND2 3.46Å; L2567-N2691 WeakPolarHBondContact CA-O 3.35Å; L2567-N2691 PolarHBondContact O-N 3.27Å; Y2569-N2691 WeakPolarHBondContact CE1-ND2 3.4Å; K2689-N2691 WeakPolarHBondContact CE-OD1 3.09Å; N2691-K3103 WeakPolarHBondContact OD1-CD 3.16Å; N2691-K3103 WeakPolarHBondContact OD1-CE 3.42Å
2692	L	88.3	Confident	87.4	Confident	29.5 Å²	29.5	38.4 Å²	38.4	15%	0.154	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.8	178.2	-72.2	167.6	0	0	0	110.8	L2567 I2690 L2806 D2807 Y2808 H2809	L2567-L2692 HydrophobicContact CD1-CD2 3.99Å; L2567-L2692 HydrophobicContact CD2-CD2 4.3Å; L2567-L2692 HydrophobicContact CG-CD2 3.95Å; I2690-L2692 HydrophobicContact CG2-CD1 3.85Å; I2690-L2692 HydrophobicContact CG2-CG 3.78Å; L2692-L2806 HydrophobicContact CD1-CD1 4.44Å; L2692-D2807 PolarHBondContact N-O 2.88Å; L2692-Y2808 HydrophobicContact CB-CD2 3.83Å; L2692-Y2808 WeakPolarHBondContact O-CA 3.25Å; L2692-H2809 PolarHBondContact O-N 3.12Å; L2692-H2809 PolarHBondContact O-ND1 2.7Å
2693	D	88.2	Confident	87.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	143.1	164.8	-151.9	-41.8	0	0	0	107.8	S2562 N2563 V2564 Y2695 T2696 L2697 R2811	S2562-D2693 WeakPolarHBondContact CA-OD2 3.32Å; S2562-D2693 VanDerWaalsContact OG-CB 3.31Å; S2562-D2693 WeakPolarHBondContact OG-CB 3.24Å; S2562-D2693 PolarHBondContact OG-OD2 3.27Å; N2563-D2693 PolarHBondContact N-OD2 3.05Å; V2564-D2693 HydrophobicContact CB-CB 4.5Å; V2564-D2693 HydrophobicContact CG2-CB 4.03Å; D2693-Y2695 PolarHBondContact O-N 2.97Å; D2693-Y2695 VanDerWaalsContact O-N 3.16Å; D2693-T2696 PolarHBondContact O-N 2.91Å; D2693-T2696 VanDerWaalsContact O-N 3.16Å; D2693-L2697 PolarHBondContact O-N 3.09Å; D2693-L2697 VanDerWaalsContact O-N 3.07Å; D2693-R2811 IonicContact OD1-CZ 3.45Å; D2693-R2811 IonicContact OD1-NE 3.26Å; D2693-R2811 IonicContact OD1-NH1 2.66Å; D2693-R2811 IonicContact OD1-NH2 3.63Å; D2693-R2811 IonicContact OD2-CZ 3.03Å; D2693-R2811 IonicContact OD2-NE 3.18Å; D2693-R2811 IonicContact OD2-NH1 2.87Å; D2693-R2811 PolarHBondContact OD2-NH1 3.44Å; D2693-R2811 IonicContact OD2-NH2 2.66Å; D2693-R2811 PolarHBondContact OD2-NH2 3.27Å
2694	Q	87.1	Confident	86.9	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.028	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-32.1	179.9	-175.7	-179.6	11.6	0	0	112.2	T2696 L2697 L2698 Y2808 H2809 R2812	Q2694-T2696 VanDerWaalsContact C-N 3.33Å; Q2694-T2696 PolarHBondContact O-N 3.12Å; Q2694-L2697 PolarHBondContact O-N 3.15Å; Q2694-L2698 HydrophobicContact CG-CD1 4.28Å; Q2694-L2698 HydrophobicContact CG-CG 4.41Å; Q2694-L2698 WeakPolarHBondContact O-CG 3.33Å; Q2694-L2698 PolarHBondContact O-N 3.07Å; Q2694-Y2808 HydrophobicContact CB-CE2 4.46Å; Q2694-Y2808 WeakPolarHBondContact CG-OH 3.32Å; Q2694-H2809 PolarHBondContact N-O 3.03Å; Q2694-R2812 PolarHBondContact NE2-O 2.83Å; Q2694-R2812 PolarHBondContact OE1-O 2.94Å
2695	Y	86.3	Confident	86.7	Confident	53.5 Å²	53.5	43.9 Å²	43.9	21%	0.21	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-42.6	174.5	-77.1	-92.9	0	0	0	112.3	S2561 D2693 L2698 F2699 R2811 R2812	S2561-Y2695 VanDerWaalsContact CB-CD1 3.44Å; S2561-Y2695 WeakPolarHBondContact OG-CD1 3.35Å; D2693-Y2695 PolarHBondContact O-N 2.97Å; D2693-Y2695 VanDerWaalsContact O-N 3.16Å; Y2695-L2698 PolarHBondContact O-N 2.98Å; Y2695-F2699 WeakPolarHBondContact O-CB 3.03Å; Y2695-F2699 PolarHBondContact O-N 3.05Å; Y2695-R2811 HydrophobicContact CE2-CB 3.89Å; Y2695-R2811 HydrophobicContact CE2-CG 4.43Å; Y2695-R2812 HydrophobicContact CE2-CG 4.12Å; Y2695-R2812 VanDerWaalsContact CZ-NE 3.26Å; Y2695-R2812 PolarHBondContact OH-NE 3.37Å; Y2695-R2812 VanDerWaalsContact OH-NE 3.14Å
2696	T	87.8	Confident	86.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-72.2	-34.1	-179.7	-38.9	0	0	0	0	111.6	I2499 D2557 V2559 S2562 L2567 D2693 Q2694 L2700	I2499-T2696 HydrophobicContact CD1-CG2 3.64Å; I2499-T2696 HydrophobicContact CG1-CG2 4.25Å; D2557-T2696 HydrophobicContact CB-CG2 4.39Å; D2557-T2696 WeakPolarHBondContact OD2-CB 3.45Å; D2557-T2696 VanDerWaalsContact OD2-CG2 3.3Å; D2557-T2696 WeakPolarHBondContact OD2-CG2 3.28Å; D2557-T2696 PolarHBondContact OD2-OG1 3.35Å; V2559-T2696 HydrophobicContact CG2-CG2 4.26Å; S2562-T2696 VanDerWaalsContact CB-OG1 3.29Å; S2562-T2696 WeakPolarHBondContact CB-OG1 3.42Å; S2562-T2696 PolarHBondContact OG-OG1 3.32Å; L2567-T2696 HydrophobicContact CD1-CG2 3.87Å; D2693-T2696 PolarHBondContact O-N 2.91Å; D2693-T2696 VanDerWaalsContact O-N 3.16Å; Q2694-T2696 VanDerWaalsContact C-N 3.33Å; Q2694-T2696 PolarHBondContact O-N 3.12Å; T2696-L2700 WeakPolarHBondContact O-CB 3.44Å; T2696-L2700 WeakPolarHBondContact O-CG 3.32Å; T2696-L2700 PolarHBondContact O-N 3.13Å
2697	L	86.2	Confident	86.1	Confident	76 Å²	76	45.4 Å²	45.4	40%	0.398	21%	0.213	S	C	.	.	H	α-helix	trans	-66.6	-42.8	173	-173.5	109	0	0	0	111.9	D2693 Q2694 L2700 Y2701 Y2808	D2693-L2697 PolarHBondContact O-N 3.09Å; D2693-L2697 VanDerWaalsContact O-N 3.07Å; Q2694-L2697 PolarHBondContact O-N 3.15Å; L2697-L2700 PolarHBondContact O-N 3.17Å; L2697-Y2701 PolarHBondContact O-N 2.89Å; L2697-Y2808 HydrophobicContact CD1-CE2 4.11Å
2698	L	85.3	Confident	85.8	Confident	51.5 Å²	51.5	49.8 Å²	49.8	27%	0.27	23%	0.23	S	C	.	.	H	α-helix	trans	-62.7	-44.9	174.8	-72.6	167.6	0	0	0	111.5	Q2694 Y2695 L2700 Y2701 E2702	Q2694-L2698 HydrophobicContact CG-CD1 4.28Å; Q2694-L2698 HydrophobicContact CG-CG 4.41Å; Q2694-L2698 WeakPolarHBondContact O-CG 3.33Å; Q2694-L2698 PolarHBondContact O-N 3.07Å; Y2695-L2698 PolarHBondContact O-N 2.98Å; L2698-L2700 VanDerWaalsContact C-N 3.34Å; L2698-L2700 PolarHBondContact O-N 2.94Å; L2698-Y2701 PolarHBondContact O-N 2.8Å; L2698-E2702 WeakPolarHBondContact O-CB 3.3Å; L2698-E2702 PolarHBondContact O-N 2.94Å
2699	F	85.8	Confident	85.4	Confident	16 Å²	16	55.7 Å²	55.7	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-57.6	-44.9	173.9	169.6	-92.7	0	0	0	112.4	N2497 I2499 V2559 Y2695 Y2701 E2702 Y2703	N2497-F2699 HydrophobicContact CB-CD2 4.09Å; N2497-F2699 HydrophobicContact CB-CE2 3.82Å; N2497-F2699 WeakPolarHBondContact O-CE2 3.5Å; I2499-F2699 HydrophobicContact CB-CE1 4.39Å; I2499-F2699 HydrophobicContact CD1-CD1 3.6Å; I2499-F2699 HydrophobicContact CD1-CE1 3.64Å; I2499-F2699 HydrophobicContact CG1-CD1 4.05Å; I2499-F2699 HydrophobicContact CG1-CE1 3.72Å; V2559-F2699 HydrophobicContact CG2-CB 4.49Å; V2559-F2699 HydrophobicContact CG2-CD1 4.13Å; V2559-F2699 HydrophobicContact CG2-CD2 4.2Å; V2559-F2699 HydrophobicContact CG2-CE2 4.47Å; V2559-F2699 HydrophobicContact CG2-CG 4.13Å; Y2695-F2699 WeakPolarHBondContact O-CB 3.03Å; Y2695-F2699 PolarHBondContact O-N 3.05Å; F2699-Y2701 VanDerWaalsContact C-N 3.34Å; F2699-Y2701 PolarHBondContact O-N 2.86Å; F2699-E2702 PolarHBondContact O-N 3.01Å; F2699-Y2703 VanDerWaalsContact O-CB 3.31Å; F2699-Y2703 WeakPolarHBondContact O-CB 3.41Å; F2699-Y2703 PolarHBondContact O-N 2.91Å
2700	L	86.7	Confident	84.8	Confident	62 Å²	62	56 Å²	56	33%	0.325	25%	0.253	S	S	.	.	H	α-helix	trans	-64	-38.7	177	-78.5	167.3	0	0	0	112.3	I2499 L2567 T2696 L2697 L2698 Q2704	I2499-L2700 HydrophobicContact CD1-CD1 4.08Å; I2499-L2700 HydrophobicContact CD1-CD2 3.67Å; I2499-L2700 HydrophobicContact CD1-CG 3.69Å; L2567-L2700 HydrophobicContact CD1-CD1 4.38Å; T2696-L2700 WeakPolarHBondContact O-CB 3.44Å; T2696-L2700 WeakPolarHBondContact O-CG 3.32Å; T2696-L2700 PolarHBondContact O-N 3.13Å; L2697-L2700 PolarHBondContact O-N 3.17Å; L2698-L2700 VanDerWaalsContact C-N 3.34Å; L2698-L2700 PolarHBondContact O-N 2.94Å; L2700-Q2704 WeakPolarHBondContact O-CB 3.35Å; L2700-Q2704 PolarHBondContact O-N 3.14Å
2701	Y	85.7	Confident	84.1	Confident	144.5 Å²	144.5	56.8 Å²	56.8	57%	0.567	26%	0.258	S	S	*	.	H	α-helix	trans	-66.4	-48.2	175.8	-178.7	-87.8	0	0	0	111.7	L2697 L2698 F2699 Y2703 Q2704 E2705	L2697-Y2701 PolarHBondContact O-N 2.89Å; L2698-Y2701 PolarHBondContact O-N 2.8Å; F2699-Y2701 VanDerWaalsContact C-N 3.34Å; F2699-Y2701 PolarHBondContact O-N 2.86Å; Y2701-Y2703 VanDerWaalsContact C-N 3.33Å; Y2701-Y2703 PolarHBondContact O-N 3.26Å; Y2701-Q2704 PolarHBondContact O-N 2.78Å; Y2701-Q2704 VanDerWaalsContact O-N 3.15Å; Y2701-E2705 HydrophobicContact CE1-CB 4.41Å; Y2701-E2705 VanDerWaalsContact CE1-OE2 3.23Å; Y2701-E2705 WeakPolarHBondContact CE1-OE2 3.27Å; Y2701-E2705 PolarHBondContact O-N 3.08Å; Y2701-E2705 PolarHBondContact OH-OE2 2.99Å
2702	E	84.6	Confident	83.4	Confident	104 Å²	104	59.7 Å²	59.7	49%	0.486	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-43.5	176.8	-177.2	-179.4	175.6	0	0	111.5	L2698 F2699 E2705 N2706	L2698-E2702 WeakPolarHBondContact O-CB 3.3Å; L2698-E2702 PolarHBondContact O-N 2.94Å; F2699-E2702 PolarHBondContact O-N 3.01Å; E2702-E2705 PolarHBondContact O-N 3.22Å; E2702-N2706 WeakPolarHBondContact O-CB 3.29Å; E2702-N2706 PolarHBondContact O-N 2.92Å; E2702-N2706 PolarHBondContact O-ND2 3.18Å
2703	Y	83.8	Confident	82.5	Confident	29.5 Å²	29.5	60 Å²	60	12%	0.116	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-43	174.3	-174.9	-88.9	0	0	0	111.8	C2018 A2019 L2022 I2340 Y2341 L2346 F2699 Y2701 E2705 N2706 F2707	C2018-Y2703 PolarHBondContact O-OH 3.25Å; A2019-Y2703 HydrophobicContact CB-CD2 4.23Å; A2019-Y2703 HydrophobicContact CB-CE2 3.81Å; L2022-Y2703 HydrophobicContact CD2-CE1 4.02Å; L2022-Y2703 WeakPolarHBondContact CD2-OH 3.3Å; I2340-Y2703 HydrophobicContact CG2-CD1 4.13Å; I2340-Y2703 HydrophobicContact CG2-CD2 3.74Å; I2340-Y2703 HydrophobicContact CG2-CE1 3.81Å; I2340-Y2703 HydrophobicContact CG2-CE2 3.38Å; I2340-Y2703 VanDerWaalsContact CG2-CE2 3.41Å; I2340-Y2703 HydrophobicContact CG2-CG 4.11Å; I2340-Y2703 VanDerWaalsContact CG2-CZ 3.49Å; Y2341-Y2703 WeakPolarHBondContact O-CE2 3.41Å; L2346-Y2703 HydrophobicContact CD1-CD2 4.33Å; L2346-Y2703 HydrophobicContact CD1-CE2 3.87Å; F2699-Y2703 VanDerWaalsContact O-CB 3.31Å; F2699-Y2703 WeakPolarHBondContact O-CB 3.41Å; F2699-Y2703 PolarHBondContact O-N 2.91Å; Y2701-Y2703 VanDerWaalsContact C-N 3.33Å; Y2701-Y2703 PolarHBondContact O-N 3.26Å; Y2703-E2705 PolarHBondContact O-N 2.88Å; Y2703-N2706 PolarHBondContact O-N 3Å; Y2703-F2707 VanDerWaalsContact O-CB 3.31Å; Y2703-F2707 WeakPolarHBondContact O-CB 3.37Å; Y2703-F2707 PolarHBondContact O-N 3.2Å
2704	Q	84.4	Confident	81.2	Confident	97 Å²	97	61.6 Å²	61.6	45%	0.453	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-39.3	178	-166	-170	31.8	0	0	112.2	L2700 Y2701 F2707 K2708	L2700-Q2704 WeakPolarHBondContact O-CB 3.35Å; L2700-Q2704 PolarHBondContact O-N 3.14Å; Y2701-Q2704 PolarHBondContact O-N 2.78Å; Y2701-Q2704 VanDerWaalsContact O-N 3.15Å; Q2704-F2707 PolarHBondContact O-N 3.03Å; Q2704-K2708 VanDerWaalsContact CD-NZ 3.29Å; Q2704-K2708 HydrophobicContact CG-CD 4.26Å; Q2704-K2708 WeakPolarHBondContact O-CB 3.29Å; Q2704-K2708 VanDerWaalsContact O-CG 3.27Å; Q2704-K2708 WeakPolarHBondContact O-CG 3.34Å; Q2704-K2708 PolarHBondContact O-N 3.1Å
2705	E	83	Confident	79.8	Confident	85.5 Å²	85.5	63.6 Å²	63.6	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-66.6	-45.8	176.4	-162.8	-173.3	150.1	0	0	111.1	Y2701 E2702 Y2703 F2707 K2708 R2709	Y2701-E2705 HydrophobicContact CE1-CB 4.41Å; Y2701-E2705 VanDerWaalsContact CE1-OE2 3.23Å; Y2701-E2705 WeakPolarHBondContact CE1-OE2 3.27Å; Y2701-E2705 PolarHBondContact O-N 3.08Å; Y2701-E2705 PolarHBondContact OH-OE2 2.99Å; E2702-E2705 PolarHBondContact O-N 3.22Å; Y2703-E2705 PolarHBondContact O-N 2.88Å; E2705-F2707 VanDerWaalsContact C-N 3.29Å; E2705-F2707 PolarHBondContact O-N 2.77Å; E2705-K2708 PolarHBondContact O-N 2.96Å; E2705-K2708 VanDerWaalsContact O-N 3.17Å; E2705-R2709 VanDerWaalsContact O-CB 3.23Å; E2705-R2709 WeakPolarHBondContact O-CB 3.25Å; E2705-R2709 WeakPolarHBondContact O-CG 3.27Å; E2705-R2709 PolarHBondContact O-N 3.04Å; E2705-R2709 IonicContact OE1-CZ 3.21Å; E2705-R2709 VanDerWaalsContact OE1-CZ 3.25Å; E2705-R2709 IonicContact OE1-NE 3.87Å; E2705-R2709 PolarHBondContact OE1-NE 2.9Å; E2705-R2709 IonicContact OE1-NH2 3.67Å; E2705-R2709 PolarHBondContact OE1-NH2 2.79Å; E2705-R2709 IonicContact OE2-CZ 3.7Å; E2705-R2709 IonicContact OE2-NH2 2.79Å; E2705-R2709 PolarHBondContact OE2-NH2 2.92Å
2706	N	79.7	Confident	78.1	Confident	33.5 Å²	33.5	69.7 Å²	69.7	18%	0.179	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-38.6	175.6	-75.2	-40.4	0	0	0	112.3	A2019 L2346 E2702 Y2703 R2709 L2710	A2019-N2706 HydrophobicContact CB-CB 4.21Å; L2346-N2706 HydrophobicContact CB-CB 4.46Å; L2346-N2706 HydrophobicContact CD1-CB 4.3Å; E2702-N2706 WeakPolarHBondContact O-CB 3.29Å; E2702-N2706 PolarHBondContact O-N 2.92Å; E2702-N2706 PolarHBondContact O-ND2 3.18Å; Y2703-N2706 PolarHBondContact O-N 3Å; N2706-R2709 PolarHBondContact O-N 3.14Å; N2706-R2709 PolarHBondContact OD1-NH1 2.83Å; N2706-L2710 WeakPolarHBondContact O-CB 3.49Å; N2706-L2710 VanDerWaalsContact O-CG 3.3Å; N2706-L2710 WeakPolarHBondContact O-CG 3.42Å; N2706-L2710 PolarHBondContact O-N 2.8Å
2707	F	80.5	Confident	76.1	Confident	56 Å²	56	76.2 Å²	76.2	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-45.4	173.4	179.4	-113.1	0	0	0	112.5	L2022 V2023 Y2703 Q2704 E2705 R2709 L2710 L2711	L2022-F2707 HydrophobicContact CB-CD2 4.15Å; L2022-F2707 HydrophobicContact CB-CE2 4.2Å; L2022-F2707 HydrophobicContact CD1-CD2 3.92Å; L2022-F2707 HydrophobicContact CD1-CE2 4.1Å; L2022-F2707 HydrophobicContact CD2-CD2 3.82Å; L2022-F2707 HydrophobicContact CD2-CE2 3.95Å; L2022-F2707 HydrophobicContact CD2-CG 4.49Å; L2022-F2707 HydrophobicContact CD2-CZ 4.46Å; L2022-F2707 HydrophobicContact CG-CD2 4.03Å; L2022-F2707 HydrophobicContact CG-CE2 4.03Å; L2022-F2707 HydrophobicContact CG-CZ 4.49Å; V2023-F2707 HydrophobicContact CG2-CD2 3.59Å; V2023-F2707 HydrophobicContact CG2-CE2 3.53Å; V2023-F2707 HydrophobicContact CG2-CZ 4.49Å; Y2703-F2707 VanDerWaalsContact O-CB 3.31Å; Y2703-F2707 WeakPolarHBondContact O-CB 3.37Å; Y2703-F2707 PolarHBondContact O-N 3.2Å; Q2704-F2707 PolarHBondContact O-N 3.03Å; E2705-F2707 VanDerWaalsContact C-N 3.29Å; E2705-F2707 PolarHBondContact O-N 2.77Å; F2707-R2709 VanDerWaalsContact C-N 3.31Å; F2707-R2709 PolarHBondContact O-N 3.27Å; F2707-L2710 PolarHBondContact O-N 3.38Å; F2707-L2711 HydrophobicContact CD1-CD1 4.11Å; F2707-L2711 HydrophobicContact CE1-CD1 3.69Å; F2707-L2711 HydrophobicContact CE1-CD2 4.06Å; F2707-L2711 HydrophobicContact CE2-CD1 4.21Å; F2707-L2711 HydrophobicContact CE2-CG 4.25Å; F2707-L2711 HydrophobicContact CZ-CD1 3.75Å; F2707-L2711 HydrophobicContact CZ-CD2 4.31Å; F2707-L2711 HydrophobicContact CZ-CG 4.24Å; F2707-L2711 WeakPolarHBondContact O-CB 3.2Å; F2707-L2711 PolarHBondContact O-N 2.92Å; F2707-L2711 VanDerWaalsContact O-N 3.07Å
2708	K	81.1	Confident	74	Confident	116 Å²	116	75.5 Å²	75.5	50%	0.504	36%	0.363	S	S	.	.	H	α-helix	trans	-60.2	-39.7	173.7	-75.5	171.9	175.8	176.2	0	112	Q2704 E2705 L2711 T2712	Q2704-K2708 VanDerWaalsContact CD-NZ 3.29Å; Q2704-K2708 HydrophobicContact CG-CD 4.26Å; Q2704-K2708 WeakPolarHBondContact O-CB 3.29Å; Q2704-K2708 VanDerWaalsContact O-CG 3.27Å; Q2704-K2708 WeakPolarHBondContact O-CG 3.34Å; Q2704-K2708 PolarHBondContact O-N 3.1Å; E2705-K2708 PolarHBondContact O-N 2.96Å; E2705-K2708 VanDerWaalsContact O-N 3.17Å; K2708-L2711 PolarHBondContact O-N 3.04Å; K2708-T2712 WeakPolarHBondContact O-CB 3.27Å; K2708-T2712 WeakPolarHBondContact O-CG2 3.38Å; K2708-T2712 PolarHBondContact O-N 3.07Å; K2708-T2712 PolarHBondContact O-OG1 3.18Å
2709	R	80.2	Confident	71.6	Confident	144 Å²	144	78.7 Å²	78.7	54%	0.543	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-40.3	176.6	-125	173	-178.6	163.9	-3.4	112.2	E2705 N2706 F2707 T2712 A2713	E2705-R2709 VanDerWaalsContact O-CB 3.23Å; E2705-R2709 WeakPolarHBondContact O-CB 3.25Å; E2705-R2709 WeakPolarHBondContact O-CG 3.27Å; E2705-R2709 PolarHBondContact O-N 3.04Å; E2705-R2709 IonicContact OE1-CZ 3.21Å; E2705-R2709 VanDerWaalsContact OE1-CZ 3.25Å; E2705-R2709 IonicContact OE1-NE 3.87Å; E2705-R2709 PolarHBondContact OE1-NE 2.9Å; E2705-R2709 IonicContact OE1-NH2 3.67Å; E2705-R2709 PolarHBondContact OE1-NH2 2.79Å; E2705-R2709 IonicContact OE2-CZ 3.7Å; E2705-R2709 IonicContact OE2-NH2 2.79Å; E2705-R2709 PolarHBondContact OE2-NH2 2.92Å; N2706-R2709 PolarHBondContact O-N 3.14Å; N2706-R2709 PolarHBondContact OD1-NH1 2.83Å; F2707-R2709 VanDerWaalsContact C-N 3.31Å; F2707-R2709 PolarHBondContact O-N 3.27Å; R2709-T2712 WeakPolarHBondContact CA-OG1 3.33Å; R2709-T2712 PolarHBondContact O-N 2.68Å; R2709-T2712 PolarHBondContact O-OG1 3.18Å; R2709-A2713 WeakPolarHBondContact O-CB 3.39Å; R2709-A2713 PolarHBondContact O-N 2.96Å
2710	L	75.2	Confident	69.3	Low	22 Å²	22	85.4 Å²	85.4	12%	0.115	42%	0.417	C	S	.	.	H	α-helix	trans	-67.7	-44	176	-124.7	112.9	0	0	0	111.7	L1834 A2019 D2020 L2022 V2023 L2346 N2706 F2707 T2712 A2713 S2714	L1834-L2710 HydrophobicContact CD2-CD2 4.26Å; A2019-L2710 HydrophobicContact CB-CD1 4.06Å; A2019-L2710 HydrophobicContact CB-CD2 4.38Å; D2020-L2710 HydrophobicContact CB-CD1 4.1Å; L2022-L2710 HydrophobicContact CB-CD2 3.93Å; L2022-L2710 HydrophobicContact CD1-CD2 4.01Å; V2023-L2710 HydrophobicContact CG2-CB 3.83Å; V2023-L2710 HydrophobicContact CG2-CD1 4.39Å; L2346-L2710 HydrophobicContact CD2-CD2 4.3Å; N2706-L2710 WeakPolarHBondContact O-CB 3.49Å; N2706-L2710 VanDerWaalsContact O-CG 3.3Å; N2706-L2710 WeakPolarHBondContact O-CG 3.42Å; N2706-L2710 PolarHBondContact O-N 2.8Å; F2707-L2710 PolarHBondContact O-N 3.38Å; L2710-T2712 VanDerWaalsContact C-N 3.31Å; L2710-T2712 PolarHBondContact O-N 3.31Å; L2710-A2713 PolarHBondContact O-N 3.4Å; L2710-S2714 PolarHBondContact O-N 3.1Å; L2710-S2714 PolarHBondContact O-OG 2.85Å
2711	L	75.5	Confident	66.8	Low	55 Å²	55	90.4 Å²	90.4	29%	0.288	44%	0.437	S	S	.	.	H	α-helix	trans	-65	-37.3	177.4	-121.1	116.7	0	0	0	113	V2023 F2707 K2708 A2713 S2714 S2715	V2023-L2711 HydrophobicContact CG1-CD1 4.31Å; V2023-L2711 HydrophobicContact CG2-CB 4.24Å; F2707-L2711 HydrophobicContact CD1-CD1 4.11Å; F2707-L2711 HydrophobicContact CE1-CD1 3.69Å; F2707-L2711 HydrophobicContact CE1-CD2 4.06Å; F2707-L2711 HydrophobicContact CE2-CD1 4.21Å; F2707-L2711 HydrophobicContact CE2-CG 4.25Å; F2707-L2711 HydrophobicContact CZ-CD1 3.75Å; F2707-L2711 HydrophobicContact CZ-CD2 4.31Å; F2707-L2711 HydrophobicContact CZ-CG 4.24Å; F2707-L2711 WeakPolarHBondContact O-CB 3.2Å; F2707-L2711 PolarHBondContact O-N 2.92Å; F2707-L2711 VanDerWaalsContact O-N 3.07Å; K2708-L2711 PolarHBondContact O-N 3.04Å; L2711-A2713 VanDerWaalsContact C-N 3.26Å; L2711-A2713 PolarHBondContact O-N 2.8Å; L2711-S2714 PolarHBondContact O-N 3.03Å; L2711-S2714 PolarHBondContact O-OG 2.97Å; L2711-S2714 VanDerWaalsContact O-OG 3.13Å; L2711-S2715 PolarHBondContact O-N 2.86Å; L2711-S2715 PolarHBondContact O-OG 2.97Å
2712	T	75.8	Confident	64	Low	71.5 Å²	71.5	93.4 Å²	93.4	44%	0.439	46%	0.456	S	S	.	.	H	α-helix	trans	-81.7	-10.6	176.6	52.8	0	0	0	0	114	K2708 R2709 L2710 S2715 R2716	K2708-T2712 WeakPolarHBondContact O-CB 3.27Å; K2708-T2712 WeakPolarHBondContact O-CG2 3.38Å; K2708-T2712 PolarHBondContact O-N 3.07Å; K2708-T2712 PolarHBondContact O-OG1 3.18Å; R2709-T2712 WeakPolarHBondContact CA-OG1 3.33Å; R2709-T2712 PolarHBondContact O-N 2.68Å; R2709-T2712 PolarHBondContact O-OG1 3.18Å; L2710-T2712 VanDerWaalsContact C-N 3.31Å; L2710-T2712 PolarHBondContact O-N 3.31Å; T2712-S2715 WeakPolarHBondContact CA-OG 3.46Å; T2712-S2715 PolarHBondContact O-OG 3.23Å; T2712-R2716 WeakPolarHBondContact O-CD 3.32Å
2713	A	69.2	Low	61.4	Low	36.5 Å²	36.5	96.7 Å²	96.7	30%	0.302	47%	0.473	S	S	.	.	H	α-helix	trans	-80.9	-45.5	166.7	0	0	0	0	0	111.1	R2709 L2710 L2711 S2715 R2716	R2709-A2713 WeakPolarHBondContact O-CB 3.39Å; R2709-A2713 PolarHBondContact O-N 2.96Å; L2710-A2713 PolarHBondContact O-N 3.4Å; L2711-A2713 VanDerWaalsContact C-N 3.26Å; L2711-A2713 PolarHBondContact O-N 2.8Å; A2713-S2715 PolarHBondContact O-N 3.12Å; A2713-R2716 PolarHBondContact O-N 3.39Å; A2713-R2716 VanDerWaalsContact O-N 3.08Å
2714	S	61	Low	58.8	Low	33.5 Å²	33.5	98.5 Å²	98.5	23%	0.234	50%	0.501	C	S	.	.	H	α-helix	trans	-69.5	-11.1	-178.6	61.3	0	0	0	0	114.8	Y1831 L2710 L2711	Y1831-S2714 WeakPolarHBondContact O-CB 3.29Å; L2710-S2714 PolarHBondContact O-N 3.1Å; L2710-S2714 PolarHBondContact O-OG 2.85Å; L2711-S2714 PolarHBondContact O-N 3.03Å; L2711-S2714 PolarHBondContact O-OG 2.97Å; L2711-S2714 VanDerWaalsContact O-OG 3.13Å
2715	S	57.1	Low	56.3	Low	49 Å²	49	103.5 Å²	103.5	34%	0.343	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-6.3	178.3	56.8	0	0	0	0	114.5	L2711 T2712 A2713 S2718	L2711-S2715 PolarHBondContact O-N 2.86Å; L2711-S2715 PolarHBondContact O-OG 2.97Å; T2712-S2715 WeakPolarHBondContact CA-OG 3.46Å; T2712-S2715 PolarHBondContact O-OG 3.23Å; A2713-S2715 PolarHBondContact O-N 3.12Å; S2715-S2718 PolarHBondContact O-OG 3.42Å
2716	R	51.1	Low	53.7	Low	181.5 Å²	181.5	104.3 Å²	104.3	69%	0.685	54%	0.539	S	S	*	.	S	Bend	trans	-99	-12.4	-169.7	-94.2	-176.9	166.5	141.5	-1.9	116.3	T2712 A2713 S2718	T2712-R2716 WeakPolarHBondContact O-CD 3.32Å; A2713-R2716 PolarHBondContact O-N 3.39Å; A2713-R2716 VanDerWaalsContact O-N 3.08Å; R2716-S2718 PolarHBondContact O-N 2.8Å
2717	E	46.6	Very low	51.5	Low	136 Å²	136	107 Å²	107	64%	0.636	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-91.1	-6.3	175.7	-63.2	-164.1	151.7	0	0	113.5	I1833 S1835 D2719	I1833-E2717 VanDerWaalsContact CB-OE2 3.31Å; I1833-E2717 WeakPolarHBondContact CB-OE2 3.42Å; I1833-E2717 WeakPolarHBondContact CD1-OE2 3.3Å; I1833-E2717 VanDerWaalsContact CG2-OE2 3.29Å; I1833-E2717 WeakPolarHBondContact CG2-OE2 3.45Å; S1835-E2717 WeakPolarHBondContact CB-OE1 3.49Å; E2717-D2719 PolarHBondContact O-N 2.73Å
2718	S	42	Very low	49.2	Very low	60.5 Å²	60.5	108.5 Å²	108.5	42%	0.423	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-78.1	-15.7	174.2	31.4	0	0	0	0	114.8	S2715 R2716 N2720 F2721	S2715-S2718 PolarHBondContact O-OG 3.42Å; R2716-S2718 PolarHBondContact O-N 2.8Å; S2718-N2720 PolarHBondContact O-N 2.87Å; S2718-F2721 PolarHBondContact O-N 2.97Å; S2718-F2721 VanDerWaalsContact O-N 3.15Å
2719	D	35.7	Very low	46.8	Very low	120 Å²	120	107.3 Å²	107.3	64%	0.642	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-70.5	3.1	-166.7	-69.8	-17.8	0	0	0	115.2	E2717	E2717-D2719 PolarHBondContact O-N 2.73Å
2720	N	36.8	Very low	44.5	Very low	156 Å²	156	107.6 Å²	107.6	83%	0.834	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-90.5	-2.1	173.2	-81.3	-45.1	0	0	0	114.4	S2718	S2718-N2720 PolarHBondContact O-N 2.87Å
2721	F	33.2	Very low	42.4	Very low	167.5 Å²	167.5	112.9 Å²	112.9	74%	0.735	62%	0.616	S	S	*	*	S	Bend	trans	-111.9	121.5	167.5	-91.8	-88.6	0	0	0	111.1	S2718 M2723	S2718-F2721 PolarHBondContact O-N 2.97Å; S2718-F2721 VanDerWaalsContact O-N 3.15Å; F2721-M2723 PolarHBondContact O-N 3.13Å
2722	Q	28.4	Very low	40.3	Very low	207.5 Å²	207.5	117.9 Å²	117.9	97%	0.97	64%	0.635	S	S	*	*			trans	-76.6	78.4	175.4	-67.3	-176	2.6	0	0	111.4
2723	M	28.7	Very low	38.1	Very low	173 Å²	173	124.8 Å²	124.8	85%	0.852	65%	0.653	S	S	*	*			trans	-133.9	116.2	163.2	-165.8	84.2	82.3	0	0	107.3	F2721	F2721-M2723 PolarHBondContact O-N 3.13Å
2724	G	29.6	Very low	36.2	Very low	67 Å²	67	126.6 Å²	126.6	69%	0.691	66%	0.664	S	S	*	*			trans	-90.4	152.9	-164.6	0	0	0	0	0	115.7
2725	Q	30.9	Very low	34.7	Very low	202.5 Å²	202.5	131.1 Å²	131.1	95%	0.946	69%	0.693	S	S	*	*			trans	64.2	65.8	149.3	-57.9	179.3	-9.5	0	0	117.7
2726	S	29.4	Very low	33.7	Very low	101 Å²	101	135 Å²	135	71%	0.706	72%	0.715	S	S	*	*	S	Bend	trans	-142.3	37.4	169.1	72.5	0	0	0	0	115.4
2727	V	32.7	Very low	33	Very low	91.5 Å²	91.5	134.5 Å²	134.5	56%	0.555	72%	0.72	S	S	*	*	S	Bend	trans	-139.4	24	177.2	-99.4	0	0	0	0	114.5
2728	S	32.8	Very low	32.2	Very low	86 Å²	86	139.2 Å²	139.2	60%	0.601	73%	0.733	S	S	*	*			trans	-121.5	16.9	179.5	-48.5	0	0	0	0	113.6	L2730 E2731	S2728-L2730 PolarHBondContact O-N 2.8Å; S2728-E2731 WeakPolarHBondContact O-CB 3.11Å; S2728-E2731 PolarHBondContact O-N 2.98Å
2729	S	31.8	Very low	31.9	Very low	91.5 Å²	91.5	139.6 Å²	139.6	64%	0.64	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	19.6	-167.1	50.1	0	0	0	0	115.8
2730	L	31.5	Very low	31.8	Very low	151 Å²	151	141.8 Å²	141.8	79%	0.791	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	27.5	159	-104.4	130.5	0	0	0	113	S2728	S2728-L2730 PolarHBondContact O-N 2.8Å
2731	E	31.2	Very low	31.6	Very low	133.5 Å²	133.5	137.6 Å²	137.6	62%	0.624	75%	0.745	S	S	*	*			trans	-91.4	113.3	161.1	-66.6	-167.1	158.8	0	0	110.1	S2728 R2733	S2728-E2731 WeakPolarHBondContact O-CB 3.11Å; S2728-E2731 PolarHBondContact O-N 2.98Å; E2731-R2733 VanDerWaalsContact C-N 3.29Å; E2731-R2733 HydrophobicContact CB-CB 4.16Å; E2731-R2733 PolarHBondContact O-N 3.3Å; E2731-R2733 WeakPolarHBondContact OE2-CD 3.22Å; E2731-R2733 IonicContact OE2-CZ 3.58Å; E2731-R2733 IonicContact OE2-NH1 3.6Å; E2731-R2733 PolarHBondContact OE2-NH1 2.87Å; E2731-R2733 VanDerWaalsContact OE2-NH1 3.08Å
2732	F	31.1	Very low	31.5	Very low	159 Å²	159	135.1 Å²	135.1	70%	0.697	75%	0.748	S	S	*	*			trans	-70.6	75.9	165.8	-89.4	-92.4	0	0	0	110.4	S2734 V2857	F2732-S2734 PolarHBondContact O-N 2.87Å; F2732-V2857 HydrophobicContact CE1-CG1 4.46Å; F2732-V2857 HydrophobicContact CZ-CG1 3.96Å
2733	R	29.8	Very low	31.7	Very low	216 Å²	216	129 Å²	129	82%	0.815	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-75.8	105.6	-174.6	-170.7	174.3	-175.6	155.2	-2.1	112.2	E2731	E2731-R2733 VanDerWaalsContact C-N 3.29Å; E2731-R2733 HydrophobicContact CB-CB 4.16Å; E2731-R2733 PolarHBondContact O-N 3.3Å; E2731-R2733 WeakPolarHBondContact OE2-CD 3.22Å; E2731-R2733 IonicContact OE2-CZ 3.58Å; E2731-R2733 IonicContact OE2-NH1 3.6Å; E2731-R2733 PolarHBondContact OE2-NH1 2.87Å; E2731-R2733 VanDerWaalsContact OE2-NH1 3.08Å
2734	S	28.5	Very low	32.1	Very low	75 Å²	75	124.8 Å²	124.8	52%	0.524	72%	0.715	S	S	.	*			trans	-64.5	136.2	172.2	51.4	0	0	0	0	112.4	F2732	F2732-S2734 PolarHBondContact O-N 2.87Å
2735	P	30.4	Very low	32.2	Very low	129 Å²	129	127.9 Å²	127.9	84%	0.838	72%	0.715	S	S	*	*			trans	-78.1	140.7	176.3	31.2	-34	0	0	0	111.9
2736	T	35.8	Very low	32.4	Very low	131 Å²	131	125.6 Å²	125.6	80%	0.804	71%	0.708	S	S	*	*			trans	-130.6	152.1	171.7	8.2	0	0	0	0	109.2
2737	Q	35	Very low	32.8	Very low	170 Å²	170	127.2 Å²	127.2	79%	0.794	71%	0.708	S	S	*	*				-111.8	146.4	120.1	-123.5	169.2	-22.8	0	0	115.3
2738	Y	30.5	Very low	33.2	Very low	234.5 Å²	234.5	128 Å²	128	92%	0.92	72%	0.715	S	S	*	*			trans	-83	149.6	147.6	-71.1	-73.2	0	0	0	114.2
2739	G	35.6	Very low	33.4	Very low	70 Å²	70	127.8 Å²	127.8	72%	0.722	71%	0.708	S	S	*	*				-171	62.3	83.8	0	0	0	0	0	116.8
2740	L	33.1	Very low	33.7	Very low	165 Å²	165	129.7 Å²	129.7	86%	0.864	71%	0.711	S	S	*	*			trans	4.5	142.7	-173.8	-71.4	154.1	0	0	0	115.4
2741	A	33.1	Very low	34	Very low	68 Å²	68	126.4 Å²	126.4	56%	0.562	70%	0.7	S	S	*	*				-13.8	169.5	59.8	0	0	0	0	0	117.1	S2743	A2741-S2743 PolarHBondContact O-N 2.8Å
2742	S	31.7	Very low	34.3	Very low	114.5 Å²	114.5	125.7 Å²	125.7	80%	0.801	71%	0.705	S	S	*	*				64.9	60.3	107.7	11.4	0	0	0	0	118.6	P2744	S2742-P2744 WeakPolarHBondContact O-CD 3.47Å
2743	S	33.4	Very low	34.4	Very low	81 Å²	81	127 Å²	127	57%	0.566	71%	0.713	S	S	*	*			trans	-5.3	116.2	143.5	-130.4	0	0	0	0	115.8	A2741 N2749	A2741-S2743 PolarHBondContact O-N 2.8Å; S2743-N2749 WeakPolarHBondContact CA-O 3.33Å; S2743-N2749 VanDerWaalsContact O-CB 3.27Å; S2743-N2749 WeakPolarHBondContact O-CB 3.33Å; S2743-N2749 PolarHBondContact O-ND2 3.49Å; S2743-N2749 VanDerWaalsContact OG-CB 3.29Å; S2743-N2749 WeakPolarHBondContact OG-CB 3.3Å; S2743-N2749 PolarHBondContact OG-N 3.25Å; S2743-N2749 PolarHBondContact OG-O 2.99Å
2744	P	36.4	Very low	34.7	Very low	84.5 Å²	84.5	121.9 Å²	121.9	55%	0.549	71%	0.711	S	S	.	*				-124.7	158.5	88.7	39.9	-25.4	0	0	0	115.9	S2742 N2749 N2750	S2742-P2744 WeakPolarHBondContact O-CD 3.47Å; P2744-N2749 VanDerWaalsContact C-CB 3.45Å; P2744-N2749 VanDerWaalsContact CA-ND2 3.31Å; P2744-N2749 WeakPolarHBondContact CA-ND2 3.33Å; P2744-N2750 PolarHBondContact O-ND2 2.74Å; P2744-N2750 VanDerWaalsContact O-ND2 3.15Å; P2744-N2750 PolarHBondContact O-OD1 2.8Å; P2744-N2750 VanDerWaalsContact O-OD1 3.13Å
2745	N	30.5	Very low	35.1	Very low	131.5 Å²	131.5	126 Å²	126	70%	0.703	72%	0.721	S	S	*	*	S	Bend		-71.1	130.6	58.8	-127.5	3.4	0	0	0	112.7	N2749	N2745-N2749 VanDerWaalsContact CA-ND2 3.33Å; N2745-N2749 WeakPolarHBondContact CA-ND2 3.47Å; N2745-N2749 WeakPolarHBondContact CA-OD1 3.26Å; N2745-N2749 PolarHBondContact N-ND2 2.89Å; N2745-N2749 PolarHBondContact N-OD1 2.93Å
2746	I	36.8	Very low	35.2	Very low	153.5 Å²	153.5	126.3 Å²	126.3	79%	0.787	72%	0.715	S	S	*	*				-148	133.9	80.6	-80.2	164.3	0	0	0	109.1	N2749	I2746-N2749 VanDerWaalsContact CA-OD1 3.27Å; I2746-N2749 WeakPolarHBondContact CA-OD1 3.31Å; I2746-N2749 PolarHBondContact N-OD1 2.89Å
2747	N	36.1	Very low	35.2	Very low	135 Å²	135	128.1 Å²	128.1	72%	0.722	71%	0.712	S	S	*	*				-129.8	129.6	-101.3	-95.2	-15.1	0	0	0	109.2	N2749	N2747-N2749 PolarHBondContact OD1-ND2 2.85Å
2748	P	41.1	Very low	35.2	Very low	107.5 Å²	107.5	127.8 Å²	127.8	70%	0.698	71%	0.711	S	S	*	*	S	Bend		-140.2	147.9	61.5	35.4	-17	0	0	0	117.3
2749	N	37.6	Very low	35.3	Very low	83 Å²	83	126 Å²	126	44%	0.444	70%	0.704	S	S	.	*			cis	127.3	132	43.5	-73.2	-16.3	0	0	0	116.6	S2743 P2744 N2745 I2746 N2747	S2743-N2749 WeakPolarHBondContact CA-O 3.33Å; S2743-N2749 VanDerWaalsContact O-CB 3.27Å; S2743-N2749 WeakPolarHBondContact O-CB 3.33Å; S2743-N2749 PolarHBondContact O-ND2 3.49Å; S2743-N2749 VanDerWaalsContact OG-CB 3.29Å; S2743-N2749 WeakPolarHBondContact OG-CB 3.3Å; S2743-N2749 PolarHBondContact OG-N 3.25Å; S2743-N2749 PolarHBondContact OG-O 2.99Å; P2744-N2749 VanDerWaalsContact C-CB 3.45Å; P2744-N2749 VanDerWaalsContact CA-ND2 3.31Å; P2744-N2749 WeakPolarHBondContact CA-ND2 3.33Å; N2745-N2749 VanDerWaalsContact CA-ND2 3.33Å; N2745-N2749 WeakPolarHBondContact CA-ND2 3.47Å; N2745-N2749 WeakPolarHBondContact CA-OD1 3.26Å; N2745-N2749 PolarHBondContact N-ND2 2.89Å; N2745-N2749 PolarHBondContact N-OD1 2.93Å; I2746-N2749 VanDerWaalsContact CA-OD1 3.27Å; I2746-N2749 WeakPolarHBondContact CA-OD1 3.31Å; I2746-N2749 PolarHBondContact N-OD1 2.89Å; N2747-N2749 PolarHBondContact OD1-ND2 2.85Å
2750	N	37.4	Very low	35.2	Very low	131 Å²	131	128.2 Å²	128.2	70%	0.701	70%	0.699	S	S	*	*			trans	70	149.4	153.4	-75.9	1.4	0	0	0	119.1	P2744	P2744-N2750 PolarHBondContact O-ND2 2.74Å; P2744-N2750 VanDerWaalsContact O-ND2 3.15Å; P2744-N2750 PolarHBondContact O-OD1 2.8Å; P2744-N2750 VanDerWaalsContact O-OD1 3.13Å
2751	S	38	Very low	35.5	Very low	81.5 Å²	81.5	126.5 Å²	126.5	57%	0.57	69%	0.691	S	S	*	*			cis	-167.3	171.2	-10.4	47.1	0	0	0	0	112.8
2752	T	38.8	Very low	35.8	Very low	119.5 Å²	119.5	130.2 Å²	130.2	73%	0.733	70%	0.701	S	S	*	*			trans	55.8	139.8	158.8	66.5	0	0	0	0	119
2753	Q	33.8	Very low	35.7	Very low	185 Å²	185	131 Å²	131	86%	0.864	70%	0.701	S	S	*	*			cis	121.2	128.9	-8.5	-78.9	-174.9	-8.1	0	0	113.8
2754	S	35.8	Very low	35.7	Very low	109.5 Å²	109.5	133.8 Å²	133.8	77%	0.766	71%	0.709	S	S	*	*			trans	136.8	136.9	159	70	0	0	0	0	111.9
2755	H	35.2	Very low	35.2	Very low	160.5 Å²	160.5	136.1 Å²	136.1	74%	0.743	72%	0.722	S	S	*	*			cis	134.6	127.7	16.6	-122.4	-86.4	0	0	0	109.1
2756	L	33.2	Very low	35.3	Very low	135.5 Å²	135.5	136.3 Å²	136.3	71%	0.709	73%	0.728	S	S	*	*				46.6	110.3	111.1	-79.1	177.2	0	0	0	117.3
2757	K	35.8	Very low	35	Very low	169 Å²	169	133.7 Å²	133.7	74%	0.735	72%	0.723	S	S	*	*				157.9	134.5	91.6	-105.9	171.5	175.4	-174.1	0	105.7
2758	Q	36.2	Very low	34.9	Very low	164.5 Å²	164.5	134.6 Å²	134.6	77%	0.769	73%	0.727	S	S	*	*				73.1	145.9	103.6	-111.1	171.7	-48.6	0	0	111.8
2759	Y	30.9	Very low	34.9	Very low	196 Å²	196	134.8 Å²	134.8	77%	0.769	73%	0.728	S	S	*	*				-140.2	134.5	75.1	-158.4	-101.2	0	0	0	107.3
2760	N	35	Very low	34.8	Very low	117 Å²	117	139.1 Å²	139.1	63%	0.626	75%	0.745	S	S	*	*			trans	-33.2	142.2	148.9	-76.5	28.5	0	0	0	113.5
2761	D	37.7	Very low	34.9	Very low	129 Å²	129	138 Å²	138	69%	0.69	75%	0.747	S	S	*	*				-172.2	168.4	70.7	-97.4	-25.3	0	0	0	112.4
2762	N	41.3	Very low	34.7	Very low	145.5 Å²	145.5	140 Å²	140	78%	0.778	75%	0.752	S	S	*	*			trans	-14	116.3	-179	-50.3	-55.8	0	0	0	114.9
2763	V	29.4	Very low	34.2	Very low	130.5 Å²	130.5	141.7 Å²	141.7	79%	0.791	76%	0.756	S	S	*	*				-138.2	141.1	94.3	-177.7	0	0	0	0	110.8	T2765	V2763-T2765 PolarHBondContact O-N 3.49Å
2764	N	32.1	Very low	34.1	Very low	140.5 Å²	140.5	138.4 Å²	138.4	75%	0.751	75%	0.748	S	S	*	*			trans	3.9	121.2	162.2	-49.1	-19.6	0	0	0	114.5	V2766	N2764-V2766 PolarHBondContact O-N 3.17Å
2765	T	26.6	Very low	33.6	Very low	134 Å²	134	143.7 Å²	143.7	82%	0.822	75%	0.751	S	S	*	*				-117.2	122.9	115.7	47	0	0	0	0	113.2	V2763 S2767	V2763-T2765 PolarHBondContact O-N 3.49Å; T2765-S2767 PolarHBondContact O-N 3Å
2766	V	32.1	Very low	33.3	Very low	134 Å²	134	140.6 Å²	140.6	81%	0.812	75%	0.745	S	S	*	*			trans	-44.2	72.9	158.9	-173.6	0	0	0	0	112.4	N2764	N2764-V2766 PolarHBondContact O-N 3.17Å
2767	S	30.1	Very low	33	Very low	99.5 Å²	99.5	139.8 Å²	139.8	70%	0.696	75%	0.746	S	S	*	*				-4.9	134.7	117.3	69.8	0	0	0	0	113.5	T2765	T2765-S2767 PolarHBondContact O-N 3Å
2768	I	35.4	Very low	32.9	Very low	155 Å²	155	141.3 Å²	141.3	80%	0.795	75%	0.748	S	S	*	*			trans	15	133.9	164.5	-62.4	158.2	0	0	0	113	Q2770	I2768-Q2770 PolarHBondContact O-N 3.35Å
2769	P	41	Very low	32.5	Very low	111.5 Å²	111.5	140.5 Å²	140.5	72%	0.724	75%	0.748	S	S	*	*				-92.5	131.7	-103.7	26.6	-18.9	0	0	0	111.3	S2771	P2769-S2771 VanDerWaalsContact C-N 3.26Å; P2769-S2771 PolarHBondContact O-N 2.8Å
2770	Q	34.1	Very low	32.5	Very low	172.5 Å²	172.5	136.6 Å²	136.6	81%	0.806	75%	0.747	S	S	*	*			trans	-70.5	113.4	156.5	-66.9	177.1	-11.7	0	0	108.6	I2768 N2772	I2768-Q2770 PolarHBondContact O-N 3.35Å; Q2770-N2772 VanDerWaalsContact CB-ND2 3.32Å; Q2770-N2772 WeakPolarHBondContact CB-ND2 3.36Å; Q2770-N2772 PolarHBondContact O-N 2.81Å; Q2770-N2772 VanDerWaalsContact O-N 3.16Å; Q2770-N2772 PolarHBondContact OE1-ND2 3.38Å
2771	S	40.9	Very low	32.4	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	75%	0.752	S	S	*	*			trans	-98.9	108.1	166.5	55.7	0	0	0	0	108.6	P2769 L2773	P2769-S2771 VanDerWaalsContact C-N 3.26Å; P2769-S2771 PolarHBondContact O-N 2.8Å; S2771-L2773 PolarHBondContact O-N 2.83Å; S2771-L2773 VanDerWaalsContact O-N 3.15Å
2772	N	32.3	Very low	32	Very low	125.5 Å²	125.5	137.3 Å²	137.3	67%	0.671	76%	0.755	S	S	*	*				6.3	122.6	117.5	-64.2	-42.1	0	0	0	111.1	Q2770 V2774	Q2770-N2772 VanDerWaalsContact CB-ND2 3.32Å; Q2770-N2772 WeakPolarHBondContact CB-ND2 3.36Å; Q2770-N2772 PolarHBondContact O-N 2.81Å; Q2770-N2772 VanDerWaalsContact O-N 3.16Å; Q2770-N2772 PolarHBondContact OE1-ND2 3.38Å; N2772-V2774 PolarHBondContact O-N 3.41Å
2773	L	30.1	Very low	31.7	Very low	154.5 Å²	154.5	135.8 Å²	135.8	81%	0.809	75%	0.753	S	S	*	*				-113.3	140.3	94	-152.1	73.6	0	0	0	110.3	S2771 R2775	S2771-L2773 PolarHBondContact O-N 2.83Å; S2771-L2773 VanDerWaalsContact O-N 3.15Å; L2773-R2775 PolarHBondContact O-N 3.43Å
2774	V	31.1	Very low	31.9	Very low	115 Å²	115	135.5 Å²	135.5	70%	0.697	75%	0.746	S	S	*	*			trans	1.9	115.2	-173.9	-174.8	0	0	0	0	117	N2772	N2772-V2774 PolarHBondContact O-N 3.41Å
2775	R	25.7	Very low	31.9	Very low	221.5 Å²	221.5	137.1 Å²	137.1	84%	0.836	75%	0.749	S	S	*	*			trans	14.7	143.4	148.1	-138.3	-180	-111.8	-179	3	113	L2773 V2777	L2773-R2775 PolarHBondContact O-N 3.43Å; R2775-V2777 PolarHBondContact O-N 2.91Å
2776	P	27.4	Very low	32.2	Very low	94.5 Å²	94.5	135.8 Å²	135.8	61%	0.614	73%	0.733	S	S	*	*				-88.7	133.2	-102.6	30.4	-27	0	0	0	111	Y2778	P2776-Y2778 HydrophobicContact CB-CE2 4.16Å; P2776-Y2778 HydrophobicContact CG-CE2 4.36Å; P2776-Y2778 WeakPolarHBondContact O-CD2 3.4Å; P2776-Y2778 PolarHBondContact O-N 3.13Å
2777	V	27.6	Very low	32.4	Very low	119 Å²	119	134.4 Å²	134.4	72%	0.721	72%	0.721	S	S	*	*			trans	-90.6	109.8	165.6	177.3	0	0	0	0	106.8	R2775 L2779	R2775-V2777 PolarHBondContact O-N 2.91Å; V2777-L2779 PolarHBondContact O-N 2.79Å
2778	Y	32.7	Very low	33.2	Very low	200 Å²	200	135.3 Å²	135.3	78%	0.784	71%	0.714	S	S	*	*			trans	-93.6	127	152.9	-65	-84.7	0	0	0	106.4	P2776	P2776-Y2778 HydrophobicContact CB-CE2 4.16Å; P2776-Y2778 HydrophobicContact CG-CE2 4.36Å; P2776-Y2778 WeakPolarHBondContact O-CD2 3.4Å; P2776-Y2778 PolarHBondContact O-N 3.13Å
2779	L	29	Very low	34	Very low	148 Å²	148	131.8 Å²	131.8	78%	0.775	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-58.6	142.3	165.7	-71.8	123.4	0	0	0	108.9	V2777 V2781	V2777-L2779 PolarHBondContact O-N 2.79Å; L2779-V2781 PolarHBondContact O-N 3.44Å
2780	P	31.8	Very low	34.8	Very low	114.5 Å²	114.5	129.8 Å²	129.8	74%	0.744	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-60.8	129.4	159.6	5.9	0	0	0	0	108.5	D2782	P2780-D2782 PolarHBondContact O-N 3.29Å
2781	V	32.5	Very low	36.6	Very low	120.5 Å²	120.5	124.5 Å²	124.5	73%	0.73	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-78.8	123.2	156.4	176	0	0	0	0	104.7	L2779 I2784	L2779-V2781 PolarHBondContact O-N 3.44Å; V2781-I2784 HydrophobicContact CG1-CD1 4.23Å; V2781-I2784 HydrophobicContact CG1-CG1 4.17Å
2782	D	28.6	Very low	38.5	Very low	141 Å²	141	123.4 Å²	123.4	75%	0.754	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-52.8	125.1	177.4	-62	-59.3	0	0	0	108.8	P2780 I2784	P2780-D2782 PolarHBondContact O-N 3.29Å; D2782-I2784 VanDerWaalsContact C-N 3.3Å; D2782-I2784 PolarHBondContact O-N 3.39Å
2783	P	35.6	Very low	41	Very low	113.5 Å²	113.5	117.4 Å²	117.4	74%	0.737	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-68.4	117.4	-177	27.1	-32.8	0	0	0	108.8	E2785	P2783-E2785 PolarHBondContact O-N 3.16Å
2784	I	32.5	Very low	43.6	Very low	124.5 Å²	124.5	115.1 Å²	115.1	64%	0.638	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-63.9	117.6	-179.5	-63.4	173.7	0	0	0	106.3	V2781 D2782 H2786	V2781-I2784 HydrophobicContact CG1-CD1 4.23Å; V2781-I2784 HydrophobicContact CG1-CG1 4.17Å; D2782-I2784 VanDerWaalsContact C-N 3.3Å; D2782-I2784 PolarHBondContact O-N 3.39Å; I2784-H2786 PolarHBondContact O-N 2.98Å; I2784-H2786 PolarHBondContact O-ND1 3.23Å
2785	E	32.6	Very low	46.3	Very low	173 Å²	173	112.1 Å²	112.1	81%	0.808	57%	0.572	S	S	*	*			trans	-70.2	92.3	-173.4	-66.6	-171.5	139.5	0	0	110.6	P2783 N2787	P2783-E2785 PolarHBondContact O-N 3.16Å; E2785-N2787 VanDerWaalsContact C-N 3.28Å; E2785-N2787 PolarHBondContact O-N 3.22Å; E2785-N2787 PolarHBondContact O-ND2 3.4Å
2786	H	32.1	Very low	49.3	Very low	108 Å²	108	102.6 Å²	102.6	50%	0.5	54%	0.537	S	S	.	.			trans	-72.5	103.2	170	-74.7	-60.3	0	0	0	107.8	N2039 Y2040 I2784 Q2788	N2039-H2786 PolarHBondContact ND2-CE1 3.32Å; N2039-H2786 PolarHBondContact ND2-ND1 2.86Å; N2039-H2786 VanDerWaalsContact ND2-ND1 3.12Å; N2039-H2786 PolarHBondContact OD1-CE1 2.94Å; N2039-H2786 PolarHBondContact OD1-ND1 2.84Å; N2039-H2786 VanDerWaalsContact OD1-ND1 3.12Å; Y2040-H2786 AromaticContact CD1-CE1 3.69Å; Y2040-H2786 AromaticContact CE1-CE1 3.55Å; Y2040-H2786 AromaticContact CE1-ND1 3.65Å; I2784-H2786 PolarHBondContact O-N 2.98Å; I2784-H2786 PolarHBondContact O-ND1 3.23Å; H2786-Q2788 HydrophobicContact CB-CG 4.36Å; H2786-Q2788 PolarHBondContact O-N 3.11Å
2787	N	37.1	Very low	52.1	Low	103.5 Å²	103.5	98.5 Å²	98.5	55%	0.553	51%	0.51	S	S	*	.			trans	-64.6	79.9	174.4	-80.7	-64.1	0	0	0	111.1	N2675 E2785	N2675-N2787 PolarHBondContact ND2-OD1 2.92Å; E2785-N2787 VanDerWaalsContact C-N 3.28Å; E2785-N2787 PolarHBondContact O-N 3.22Å; E2785-N2787 PolarHBondContact O-ND2 3.4Å
2788	Q	46.8	Very low	54.9	Low	119 Å²	119	94 Å²	94	56%	0.556	48%	0.481	S	S	*	.			trans	-68.1	131.7	151.4	-67	-173.2	-42.3	0	0	107.4	D2036 H2786 V2790	D2036-Q2788 WeakPolarHBondContact OD2-CG 3.47Å; D2036-Q2788 PolarHBondContact OD2-NE2 3.44Å; H2786-Q2788 HydrophobicContact CB-CG 4.36Å; H2786-Q2788 PolarHBondContact O-N 3.11Å; Q2788-V2790 PolarHBondContact O-N 3.22Å
2789	P	51.7	Low	57.2	Low	80.5 Å²	80.5	89.9 Å²	89.9	52%	0.523	47%	0.465	S	S	.	.			trans	-69	107.5	-176.7	26.7	-33.6	0	0	0	110.6	N2675 L2791	N2675-P2789 WeakPolarHBondContact O-CA 3.22Å; N2675-P2789 WeakPolarHBondContact O-CB 3.17Å; P2789-L2791 PolarHBondContact O-N 3.05Å
2790	V	59.2	Low	59.8	Low	71 Å²	71	85 Å²	85	43%	0.43	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	110.7	-177.3	-176.2	0	0	0	0	109.2	N2675 L2677 Q2788 F2792	N2675-V2790 PolarHBondContact O-N 2.9Å; L2677-V2790 PolarHBondContact N-O 3.09Å; Q2788-V2790 PolarHBondContact O-N 3.22Å; V2790-F2792 PolarHBondContact O-N 3.03Å
2791	L	71.2	Confident	62.2	Low	61.5 Å²	61.5	84.6 Å²	84.6	32%	0.322	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	104.6	-176.8	-171	156.2	0	0	0	109.9	V2679 P2789 I2793 Q2847 F2849	V2679-L2791 HydrophobicContact CB-CD2 4.09Å; V2679-L2791 HydrophobicContact CG2-CD1 4.25Å; V2679-L2791 HydrophobicContact CG2-CD2 3.62Å; V2679-L2791 HydrophobicContact CG2-CG 3.68Å; P2789-L2791 PolarHBondContact O-N 3.05Å; L2791-I2793 HydrophobicContact CD2-CD1 4.35Å; L2791-I2793 HydrophobicContact CD2-CG1 3.62Å; L2791-Q2847 CarbonylContact O-C 3.56Å; L2791-F2849 HydrophobicContact CD1-CE2 3.79Å; L2791-F2849 HydrophobicContact CD2-CD2 4.15Å; L2791-F2849 HydrophobicContact CD2-CE2 3.51Å; L2791-F2849 HydrophobicContact CD2-CZ 4.06Å; L2791-F2849 HydrophobicContact CG-CE2 4.31Å
2792	F	81.9	Confident	64.8	Low	82.5 Å²	82.5	79.2 Å²	79.2	36%	0.362	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	110.2	-178.1	179.6	-103.8	0	0	0	111.3	L2677 E2678 V2679 V2790 R2794	L2677-F2792 PolarHBondContact O-N 2.9Å; E2678-F2792 CarbonylContact C-O 3.55Å; E2678-F2792 WeakPolarHBondContact CA-O 3.4Å; E2678-F2792 HydrophobicContact CG-CD1 4.25Å; V2679-F2792 PolarHBondContact N-O 2.87Å; V2790-F2792 PolarHBondContact O-N 3.03Å; F2792-R2794 HydrophobicContact CD1-CB 4.3Å; F2792-R2794 HydrophobicContact CE1-CB 4.16Å; F2792-R2794 HydrophobicContact CE1-CG 4.43Å; F2792-R2794 PolarHBondContact O-N 3.33Å; F2792-R2794 VanDerWaalsContact O-N 3.07Å
2793	I	84.5	Confident	67.5	Low	0.5 Å²	0.5	73.2 Å²	73.2	0%	0.003	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	96.8	178.1	-45.5	174	0	0	0	109.3	V2679 I2681 L2791 K2795 G2845 Y2846 F2849 L2852	V2679-I2793 CarbonylContact O-C 3.54Å; V2679-I2793 WeakPolarHBondContact O-CA 3.4Å; I2681-I2793 HydrophobicContact CD1-CD1 4.4Å; I2681-I2793 HydrophobicContact CD1-CG2 3.86Å; I2681-I2793 HydrophobicContact CG1-CG2 4.3Å; L2791-I2793 HydrophobicContact CD2-CD1 4.35Å; L2791-I2793 HydrophobicContact CD2-CG1 3.62Å; I2793-K2795 PolarHBondContact O-N 2.94Å; I2793-G2845 WeakPolarHBondContact O-CA 3.41Å; I2793-Y2846 PolarHBondContact N-O 2.85Å; I2793-Y2846 PolarHBondContact O-N 2.81Å; I2793-F2849 HydrophobicContact CD1-CD1 3.65Å; I2793-F2849 HydrophobicContact CD1-CD2 4.24Å; I2793-F2849 HydrophobicContact CD1-CE1 3.82Å; I2793-F2849 HydrophobicContact CD1-CE2 4.38Å; I2793-F2849 HydrophobicContact CD1-CG 3.89Å; I2793-F2849 HydrophobicContact CD1-CZ 4.18Å; I2793-L2852 HydrophobicContact CD1-CB 4.34Å; I2793-L2852 HydrophobicContact CD1-CD2 3.68Å; I2793-L2852 HydrophobicContact CG2-CD2 4.11Å
2794	R	84.5	Confident	69.9	Low	106 Å²	106	69.1 Å²	69.1	40%	0.4	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-32.6	-179.5	-175.5	170	128.1	-177.2	-0.4	112.8	E2678 V2679 E2680 F2792	E2678-R2794 WeakPolarHBondContact OE2-CD 3.26Å; E2678-R2794 IonicContact OE2-CZ 2.84Å; E2678-R2794 VanDerWaalsContact OE2-CZ 3.31Å; E2678-R2794 IonicContact OE2-NE 3.53Å; E2678-R2794 IonicContact OE2-NH1 3.7Å; E2678-R2794 PolarHBondContact OE2-NH1 3.17Å; V2679-R2794 PolarHBondContact O-N 2.87Å; E2680-R2794 IonicContact OE1-CZ 2.66Å; E2680-R2794 IonicContact OE1-NE 3.24Å; E2680-R2794 PolarHBondContact OE1-NE 3.47Å; E2680-R2794 VanDerWaalsContact OE1-NE 3.1Å; E2680-R2794 IonicContact OE1-NH2 2.67Å; E2680-R2794 PolarHBondContact OE1-NH2 3.34Å; F2792-R2794 HydrophobicContact CD1-CB 4.3Å; F2792-R2794 HydrophobicContact CE1-CB 4.16Å; F2792-R2794 HydrophobicContact CE1-CG 4.43Å; F2792-R2794 PolarHBondContact O-N 3.33Å; F2792-R2794 VanDerWaalsContact O-N 3.07Å
2795	K	86.3	Confident	72.5	Confident	51.5 Å²	51.5	63.6 Å²	63.6	22%	0.224	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	122.7	-163.1	-167.4	179.2	-176.2	178	0	115.1	V2679 E2680 I2681 I2793 Y2842 Q2843	V2679-K2795 PolarHBondContact O-N 3.31Å; E2680-K2795 WeakPolarHBondContact CA-O 3.49Å; E2680-K2795 HydrophobicContact CB-CB 4.21Å; E2680-K2795 HydrophobicContact CB-CD 4.05Å; E2680-K2795 HydrophobicContact CG-CB 3.95Å; E2680-K2795 HydrophobicContact CG-CD 3.73Å; E2680-K2795 HydrophobicContact CG-CG 4.47Å; E2680-K2795 WeakPolarHBondContact OE1-CD 3.29Å; E2680-K2795 WeakPolarHBondContact OE1-CE 2.98Å; E2680-K2795 IonicContact OE1-NZ 2.65Å; E2680-K2795 PolarHBondContact OE1-NZ 2.9Å; E2680-K2795 WeakPolarHBondContact OE2-CD 3.21Å; E2680-K2795 IonicContact OE2-NZ 2.72Å; E2680-K2795 PolarHBondContact OE2-NZ 3.29Å; I2681-K2795 PolarHBondContact N-O 3.25Å; I2793-K2795 PolarHBondContact O-N 2.94Å; K2795-Y2842 WeakPolarHBondContact CA-O 3.48Å; K2795-Q2843 HydrophobicContact CG-CG 4.45Å
2796	F	89.5	Confident	75.1	Confident	22.5 Å²	22.5	56.9 Å²	56.9	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	118	172.8	177.2	-103.2	0	0	0	110.2	I2681 L2683 Y2842 L2852 V2856	I2681-F2796 HydrophobicContact CB-CD2 3.86Å; I2681-F2796 HydrophobicContact CG2-CD2 3.66Å; I2681-F2796 HydrophobicContact CG2-CE2 3.98Å; I2681-F2796 WeakPolarHBondContact O-CA 3.12Å; L2683-F2796 HydrophobicContact CB-CE2 3.92Å; L2683-F2796 HydrophobicContact CB-CZ 4.41Å; L2683-F2796 HydrophobicContact CD2-CE2 4.23Å; L2683-F2796 HydrophobicContact CD2-CZ 4.09Å; F2796-Y2842 HydrophobicContact CB-CD2 4.36Å; F2796-Y2842 AromaticContact CD1-CD2 3.41Å; F2796-Y2842 HydrophobicContact CD1-CD2 3.41Å; F2796-Y2842 VanDerWaalsContact CD1-CD2 3.41Å; F2796-Y2842 AromaticContact CD1-CE2 3.68Å; F2796-Y2842 HydrophobicContact CD1-CE2 3.68Å; F2796-Y2842 HydrophobicContact CD1-CG 4.34Å; F2796-Y2842 HydrophobicContact CE1-CD2 4.12Å; F2796-Y2842 AromaticContact CE1-CE2 3.91Å; F2796-Y2842 HydrophobicContact CE1-CE2 3.91Å; F2796-Y2842 HydrophobicContact CG-CD2 4.27Å; F2796-Y2842 PolarHBondContact N-O 3.38Å; F2796-Y2842 PolarHBondContact O-N 3.29Å; F2796-L2852 HydrophobicContact CB-CD1 4.09Å; F2796-L2852 HydrophobicContact CB-CD2 4.06Å; F2796-L2852 HydrophobicContact CD1-CD1 3.94Å; F2796-L2852 HydrophobicContact CD1-CD2 4.4Å; F2796-L2852 HydrophobicContact CD1-CG 4.48Å; F2796-L2852 HydrophobicContact CG-CD1 4.29Å; F2796-L2852 HydrophobicContact CG-CD2 4.15Å; F2796-V2856 HydrophobicContact CD1-CG2 3.92Å; F2796-V2856 HydrophobicContact CE1-CG1 4.38Å; F2796-V2856 HydrophobicContact CE1-CG2 3.66Å
2797	T	86.1	Confident	77.8	Confident	8 Å²	8	52.1 Å²	52.1	5%	0.049	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	98.9	178	-44.8	0	0	0	0	114	N2229 C2230 S2231 H2232 I2681 K2682 L2683 Y2799 I2841	N2229-T2797 WeakPolarHBondContact O-CG2 3.36Å; C2230-T2797 VanDerWaalsContact CA-OG1 3.24Å; C2230-T2797 WeakPolarHBondContact CA-OG1 3.32Å; C2230-T2797 PolarHBondContact N-OG1 3.47Å; S2231-T2797 WeakPolarHBondContact CA-OG1 3.26Å; S2231-T2797 WeakPolarHBondContact CB-OG1 3.45Å; S2231-T2797 PolarHBondContact N-OG1 2.82Å; S2231-T2797 PolarHBondContact O-OG1 3.18Å; S2231-T2797 PolarHBondContact OG-OG1 3Å; H2232-T2797 VanDerWaalsContact CB-N 3.32Å; H2232-T2797 PolarHBondContact CD2-N 2.82Å; H2232-T2797 PolarHBondContact CD2-O 3.33Å; H2232-T2797 PolarHBondContact CE1-O 2.86Å; H2232-T2797 VanDerWaalsContact CG-N 3.27Å; H2232-T2797 VanDerWaalsContact ND1-C 3.33Å; H2232-T2797 PolarHBondContact ND1-O 3.19Å; H2232-T2797 VanDerWaalsContact NE2-C 3.35Å; H2232-T2797 PolarHBondContact NE2-O 3.09Å; I2681-T2797 PolarHBondContact O-N 3.45Å; K2682-T2797 WeakPolarHBondContact CA-O 3.48Å; L2683-T2797 PolarHBondContact N-O 3.1Å; T2797-Y2799 WeakPolarHBondContact O-CB 3.07Å; T2797-Y2799 PolarHBondContact O-N 2.8Å; T2797-I2841 HydrophobicContact CG2-CG1 4.35Å
2798	F	87.3	Confident	80.2	Confident	24.5 Å²	24.5	48.4 Å²	48.4	11%	0.107	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	121.4	177.5	-171.2	-93.7	0	0	0	112	H2232 L2683 I2685 L2802 I2837 R2839 R2840	H2232-F2798 VanDerWaalsContact CE1-CA 3.44Å; H2232-F2798 WeakPolarHBondContact CE1-CA 3.01Å; H2232-F2798 PolarHBondContact NE2-N 3.11Å; L2683-F2798 HydrophobicContact CD2-CD2 4.28Å; L2683-F2798 HydrophobicContact CD2-CE2 4.29Å; L2683-F2798 HydrophobicContact CG-CD2 4.31Å; L2683-F2798 HydrophobicContact CG-CE2 4.37Å; L2683-F2798 WeakPolarHBondContact O-CA 3.43Å; I2685-F2798 HydrophobicContact CD1-CE2 3.89Å; I2685-F2798 HydrophobicContact CD1-CZ 4.27Å; I2685-F2798 HydrophobicContact CG1-CE2 4.24Å; I2685-F2798 HydrophobicContact CG1-CZ 4.3Å; F2798-L2802 HydrophobicContact CE1-CB 3.9Å; F2798-L2802 HydrophobicContact CZ-CB 3.83Å; F2798-L2802 HydrophobicContact CZ-CD2 3.83Å; F2798-L2802 HydrophobicContact CZ-CG 4.47Å; F2798-I2837 HydrophobicContact CD1-CG2 4.42Å; F2798-I2837 HydrophobicContact CE1-CG2 3.84Å; F2798-I2837 HydrophobicContact CZ-CG2 4.42Å; F2798-R2839 WeakPolarHBondContact O-CA 3.32Å; F2798-R2839 WeakPolarHBondContact O-CG 3.44Å; F2798-R2840 HydrophobicContact CB-CB 4.45Å; F2798-R2840 PolarHBondContact N-O 2.97Å; F2798-R2840 PolarHBondContact O-N 2.84Å
2799	Y	81.2	Confident	81.9	Confident	113 Å²	113	43.3 Å²	43.3	44%	0.443	22%	0.215	S	C	.	.			trans	-161.5	140.6	-172.6	171.2	-93.8	0	0	0	111.4	H2232 L2683 S2684 T2797 R2839	H2232-Y2799 PolarHBondContact CE1-N 3.45Å; H2232-Y2799 VanDerWaalsContact CE1-N 3.32Å; L2683-Y2799 PolarHBondContact O-N 2.87Å; L2683-Y2799 VanDerWaalsContact O-N 3.07Å; S2684-Y2799 WeakPolarHBondContact CA-O 3.2Å; S2684-Y2799 WeakPolarHBondContact CB-O 3.37Å; T2797-Y2799 WeakPolarHBondContact O-CB 3.07Å; T2797-Y2799 PolarHBondContact O-N 2.8Å; Y2799-R2839 HydrophobicContact CD2-CG 4.05Å
2800	P	82	Confident	83.3	Confident	47 Å²	47	40.3 Å²	40.3	31%	0.305	20%	0.199	S	C	.	.	S	Bend	cis	-72.8	-173.1	-1.2	33.9	-38.1	0	0	0	112.5	L2802	P2800-L2802 PolarHBondContact O-N 3.01Å
2801	D	83	Confident	84	Confident	105 Å²	105	41.3 Å²	41.3	56%	0.561	20%	0.195	S	C	*	.			trans	-60.3	131.1	164.3	-54.6	-43.1	0	0	0	109	I2837 P2838 R2839	D2801-I2837 WeakPolarHBondContact CA-O 3.11Å; D2801-P2838 WeakPolarHBondContact OD1-CA 3.35Å; D2801-R2839 WeakPolarHBondContact OD1-CB 3.46Å; D2801-R2839 PolarHBondContact OD1-N 3.38Å
2802	L	86.3	Confident	83.8	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.1	-176.3	172.6	61.7	0	0	0	110.1	I2685 Q2686 L2688 F2798 P2800 I2804 I2837	I2685-L2802 HydrophobicContact CB-CD1 4.47Å; I2685-L2802 HydrophobicContact CB-CD2 4.41Å; I2685-L2802 HydrophobicContact CG2-CD1 4.41Å; I2685-L2802 HydrophobicContact CG2-CD2 4.49Å; Q2686-L2802 WeakPolarHBondContact O-CD1 3.34Å; L2688-L2802 HydrophobicContact CG-CD1 4.31Å; F2798-L2802 HydrophobicContact CE1-CB 3.9Å; F2798-L2802 HydrophobicContact CZ-CB 3.83Å; F2798-L2802 HydrophobicContact CZ-CD2 3.83Å; F2798-L2802 HydrophobicContact CZ-CG 4.47Å; P2800-L2802 PolarHBondContact O-N 3.01Å; L2802-I2804 HydrophobicContact CD1-CG1 4.5Å; L2802-I2804 HydrophobicContact CD2-CD1 4.1Å; L2802-I2804 HydrophobicContact CD2-CG1 4.16Å; L2802-I2804 HydrophobicContact CG-CD1 4.43Å; L2802-I2804 HydrophobicContact CG-CG1 3.97Å; L2802-I2837 HydrophobicContact CB-CB 4.31Å; L2802-I2837 HydrophobicContact CD2-CD1 4.09Å; L2802-I2837 HydrophobicContact CG-CD1 4.46Å; L2802-I2837 PolarHBondContact N-O 2.97Å; L2802-I2837 PolarHBondContact O-N 2.93Å
2803	S	85.9	Confident	83	Confident	15 Å²	15	44.9 Å²	44.9	11%	0.105	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.7	165.5	69.1	0	0	0	0	110.9	P2687 L2688 H2805 F2835	P2687-S2803 WeakPolarHBondContact CA-O 3.48Å; L2688-S2803 PolarHBondContact N-O 3.43Å; S2803-H2805 PolarHBondContact OG-NE2 2.9Å; S2803-F2835 CarbonylContact C-O 3.59Å; S2803-F2835 WeakPolarHBondContact CA-O 3.1Å
2804	I	87.1	Confident	81.8	Confident	27 Å²	27	48.1 Å²	48.1	14%	0.138	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.1	174	-55.7	-175.5	0	0	0	107.6	L2688 I2690 L2802 F2835 I2837	L2688-I2804 HydrophobicContact CB-CG1 4.45Å; L2688-I2804 WeakPolarHBondContact O-CA 3.47Å; I2690-I2804 HydrophobicContact CD1-CG2 3.64Å; I2690-I2804 HydrophobicContact CG1-CG2 4.22Å; L2802-I2804 HydrophobicContact CD1-CG1 4.5Å; L2802-I2804 HydrophobicContact CD2-CD1 4.1Å; L2802-I2804 HydrophobicContact CD2-CG1 4.16Å; L2802-I2804 HydrophobicContact CG-CD1 4.43Å; L2802-I2804 HydrophobicContact CG-CG1 3.97Å; I2804-F2835 HydrophobicContact CB-CB 4.48Å; I2804-F2835 PolarHBondContact N-O 3.23Å; I2804-F2835 PolarHBondContact O-N 3.12Å; I2804-I2837 HydrophobicContact CD1-CD1 3.59Å; I2804-I2837 HydrophobicContact CG1-CD1 4.28Å
2805	H	87.1	Confident	80.9	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121	179.8	-62	-95.7	0	0	0	109.4	Y2571 L2688 K2689 I2690 S2803 N2832 E2834	Y2571-H2805 AromaticContact CD1-CD2 3.55Å; Y2571-H2805 AromaticContact CD1-NE2 3.55Å; Y2571-H2805 AromaticContact CE1-CD2 3.93Å; Y2571-H2805 AromaticContact CE1-CE1 3.96Å; Y2571-H2805 AromaticContact CE1-NE2 3.6Å; Y2571-H2805 AromaticContact CG-CD2 3.98Å; L2688-H2805 PolarHBondContact O-N 3.06Å; K2689-H2805 CarbonylContact C-O 3.44Å; K2689-H2805 WeakPolarHBondContact CA-O 3.32Å; K2689-H2805 HydrophobicContact CB-CB 4.4Å; K2689-H2805 HydrophobicContact CD-CB 4.42Å; K2689-H2805 HydrophobicContact CG-CB 4.26Å; I2690-H2805 PolarHBondContact N-O 2.69Å; S2803-H2805 PolarHBondContact OG-NE2 2.9Å; H2805-N2832 PolarHBondContact ND1-OD1 2.83Å; H2805-E2834 IonicContact CE1-OE1 2.84Å; H2805-E2834 IonicContact CE1-OE2 3.89Å; H2805-E2834 PolarHBondContact CE1-OE2 3.16Å; H2805-E2834 IonicContact ND1-OE2 2.81Å
2806	L	87.3	Confident	80	Confident	33 Å²	33	50.4 Å²	50.4	17%	0.173	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.4	-176.2	-176.3	148.7	0	0	0	112.2	I2690 L2692 L2830 N2832 A2833 F2835	I2690-L2806 HydrophobicContact CG2-CD1 4.28Å; I2690-L2806 HydrophobicContact CG2-CG 4.35Å; I2690-L2806 WeakPolarHBondContact O-CA 3.47Å; L2692-L2806 HydrophobicContact CD1-CD1 4.44Å; L2806-L2830 HydrophobicContact CD2-CB 4.37Å; L2806-L2830 HydrophobicContact CD2-CD1 3.9Å; L2806-N2832 PolarHBondContact O-N 3.44Å; L2806-A2833 HydrophobicContact CB-CB 4.34Å; L2806-A2833 PolarHBondContact N-O 3.28Å; L2806-A2833 WeakPolarHBondContact O-CB 3.27Å; L2806-A2833 PolarHBondContact O-N 3.29Å; L2806-F2835 HydrophobicContact CB-CD2 4.48Å; L2806-F2835 HydrophobicContact CB-CE2 4.07Å
2807	D	87.5	Confident	78.8	Confident	8 Å²	8	51.7 Å²	51.7	4%	0.043	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.7	170.1	-72.6	10.9	0	0	0	108.8	I2690 L2692 L2830 N2832 K3103	I2690-D2807 PolarHBondContact O-N 2.88Å; L2692-D2807 PolarHBondContact N-O 2.88Å; D2807-L2830 CarbonylContact C-O 3.6Å; D2807-L2830 WeakPolarHBondContact CA-O 3.42Å; D2807-N2832 WeakPolarHBondContact OD1-CA 3.37Å; D2807-N2832 PolarHBondContact OD1-N 3.47Å; D2807-K3103 WeakPolarHBondContact OD2-CE 3.4Å; D2807-K3103 IonicContact OD2-NZ 2.65Å; D2807-K3103 PolarHBondContact OD2-NZ 3.04Å
2808	Y	87.2	Confident	78.3	Confident	24 Å²	24	52.9 Å²	52.9	9%	0.094	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.9	177.3	176.2	-97.2	0	0	0	111.6	L2692 Q2694 L2697 L2828 Q2829 L2830	L2692-Y2808 HydrophobicContact CB-CD2 3.83Å; L2692-Y2808 WeakPolarHBondContact O-CA 3.25Å; Q2694-Y2808 HydrophobicContact CB-CE2 4.46Å; Q2694-Y2808 WeakPolarHBondContact CG-OH 3.32Å; L2697-Y2808 HydrophobicContact CD1-CE2 4.11Å; Y2808-L2828 HydrophobicContact CD1-CG 4.5Å; Y2808-L2828 WeakPolarHBondContact CD1-O 3.45Å; Y2808-L2828 WeakPolarHBondContact CE1-O 3.3Å; Y2808-Q2829 WeakPolarHBondContact O-CA 3.5Å; Y2808-L2830 PolarHBondContact N-O 2.95Å; Y2808-L2830 PolarHBondContact O-N 3.33Å
2809	H	83.6	Confident	77.8	Confident	12 Å²	12	55.2 Å²	55.2	6%	0.056	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	99.7	-175.8	-53.6	78.9	0	0	0	111.4	L2692 Q2694 K3103 W3104	L2692-H2809 PolarHBondContact O-N 3.12Å; L2692-H2809 PolarHBondContact O-ND1 2.7Å; Q2694-H2809 PolarHBondContact N-O 3.03Å; H2809-K3103 PolarHBondContact CE1-NZ 3.34Å; H2809-K3103 PolarHBondContact NE2-NZ 3.09Å; H2809-W3104 AromaticContact CD2-CH2 3.86Å; H2809-W3104 AromaticContact CE1-CH2 3.87Å; H2809-W3104 AromaticContact NE2-CH2 3.47Å; H2809-W3104 WeakPolarHBondContact NE2-CH2 3.41Å; H2809-W3104 AromaticContact NE2-CZ2 4Å
2810	G	79.7	Confident	77.5	Confident	18 Å²	18	57.5 Å²	57.5	19%	0.186	32%	0.322	C	S	.	.			trans	-64.4	145.6	165.5	0	0	0	0	0	112.5	A2825	G2810-A2825 WeakPolarHBondContact CA-O 3.49Å
2811	R	74.8	Confident	76.7	Confident	92 Å²	92	61 Å²	61	35%	0.347	33%	0.333	S	S	.	.			trans	-151.8	-32.2	179.5	-69.1	-170.6	-174.2	162.7	16.1	115	N2563 D2693 Y2695	N2563-R2811 PolarHBondContact OD1-NH1 3.03Å; N2563-R2811 PolarHBondContact OD1-NH2 3.28Å; D2693-R2811 IonicContact OD1-CZ 3.45Å; D2693-R2811 IonicContact OD1-NE 3.26Å; D2693-R2811 IonicContact OD1-NH1 2.66Å; D2693-R2811 IonicContact OD1-NH2 3.63Å; D2693-R2811 IonicContact OD2-CZ 3.03Å; D2693-R2811 IonicContact OD2-NE 3.18Å; D2693-R2811 IonicContact OD2-NH1 2.87Å; D2693-R2811 PolarHBondContact OD2-NH1 3.44Å; D2693-R2811 IonicContact OD2-NH2 2.66Å; D2693-R2811 PolarHBondContact OD2-NH2 3.27Å; Y2695-R2811 HydrophobicContact CE2-CB 3.89Å; Y2695-R2811 HydrophobicContact CE2-CG 4.43Å
2812	R	68.1	Low	76	Confident	122 Å²	122	56 Å²	56	46%	0.46	31%	0.307	S	S	.	.			trans	-108	133.1	-177.6	-75.7	-177.5	164.8	-171.5	-5.5	109.8	Q2694 Y2695 D2814	Q2694-R2812 PolarHBondContact NE2-O 2.83Å; Q2694-R2812 PolarHBondContact OE1-O 2.94Å; Y2695-R2812 HydrophobicContact CE2-CG 4.12Å; Y2695-R2812 VanDerWaalsContact CZ-NE 3.26Å; Y2695-R2812 PolarHBondContact OH-NE 3.37Å; Y2695-R2812 VanDerWaalsContact OH-NE 3.14Å; R2812-D2814 PolarHBondContact O-N 3.07Å
2813	L	63.8	Low	75.4	Confident	97 Å²	97	59 Å²	59	51%	0.508	32%	0.323	S	S	.	.			trans	-78.7	101.8	158.4	-70.2	164.2	0	0	0	107.5	L2823 M2826	L2813-L2823 HydrophobicContact CD2-CD2 3.81Å; L2813-L2823 HydrophobicContact CD2-CG 4.34Å; L2813-M2826 HydrophobicContact CD1-SD 3.91Å; L2813-M2826 HydrophobicContact CD2-CB 3.7Å; L2813-M2826 HydrophobicContact CD2-CE 4.03Å; L2813-M2826 HydrophobicContact CD2-CG 4.16Å; L2813-M2826 HydrophobicContact CD2-SD 3.59Å; L2813-M2826 VanDerWaalsContact CD2-SD 3.59Å; L2813-M2826 HydrophobicContact CG-CB 4.19Å; L2813-M2826 HydrophobicContact CG-CG 4.24Å; L2813-M2826 HydrophobicContact CG-SD 3.52Å; L2813-M2826 VanDerWaalsContact CG-SD 3.52Å
2814	D	60.6	Low	74.6	Confident	68 Å²	68	62.2 Å²	62.2	36%	0.364	34%	0.338	S	S	.	.			trans	-101.1	112.3	163	-174.6	9.3	0	0	0	109.4	R2812 S2816 G2822	R2812-D2814 PolarHBondContact O-N 3.07Å; D2814-S2816 VanDerWaalsContact C-N 3.29Å; D2814-S2816 WeakPolarHBondContact OD1-CB 3.16Å; D2814-S2816 PolarHBondContact OD1-N 2.83Å; D2814-S2816 PolarHBondContact OD1-OG 3.37Å; D2814-S2816 VanDerWaalsContact OD1-OG 3.08Å; D2814-S2816 PolarHBondContact OD2-OG 2.86Å; D2814-G2822 WeakPolarHBondContact O-CA 3.36Å
2815	L	64.3	Low	73.8	Confident	106 Å²	106	61.8 Å²	61.8	56%	0.555	34%	0.338	S	S	*	.			trans	-86	-0.6	-178.2	-59.9	171.3	0	0	0	112.4	G2817 G2818	L2815-G2817 PolarHBondContact O-N 2.84Å; L2815-G2818 WeakPolarHBondContact O-CA 3.31Å; L2815-G2818 PolarHBondContact O-N 2.85Å
2816	S	66.9	Low	72.9	Confident	100 Å²	100	64.4 Å²	64.4	70%	0.699	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-45.8	-179.4	66.4	0	0	0	0	113.1	D2814 G2818	D2814-S2816 VanDerWaalsContact C-N 3.29Å; D2814-S2816 WeakPolarHBondContact OD1-CB 3.16Å; D2814-S2816 PolarHBondContact OD1-N 2.83Å; D2814-S2816 PolarHBondContact OD1-OG 3.37Å; D2814-S2816 VanDerWaalsContact OD1-OG 3.08Å; D2814-S2816 PolarHBondContact OD2-OG 2.86Å; S2816-G2818 PolarHBondContact O-N 3.43Å; S2816-G2818 VanDerWaalsContact O-N 3.16Å
2817	G	65.7	Low	71.9	Confident	50 Å²	50	67.7 Å²	67.7	52%	0.515	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	13.7	174.1	0	0	0	0	0	114.8	L2815 H2821	L2815-G2817 PolarHBondContact O-N 2.84Å; G2817-H2821 WeakPolarHBondContact O-CB 3.44Å
2818	G	74.1	Confident	71.2	Confident	34 Å²	34	68.7 Å²	68.7	35%	0.351	37%	0.374	S	S	.	.			trans	86.8	152.2	-172.8	0	0	0	0	0	113.1	L2815 S2816 F2820 H2821 G2822	L2815-G2818 WeakPolarHBondContact O-CA 3.31Å; L2815-G2818 PolarHBondContact O-N 2.85Å; S2816-G2818 PolarHBondContact O-N 3.43Å; S2816-G2818 VanDerWaalsContact O-N 3.16Å; G2818-F2820 VanDerWaalsContact C-N 3.32Å; G2818-F2820 PolarHBondContact O-N 2.91Å; G2818-H2821 PolarHBondContact O-N 2.84Å; G2818-G2822 PolarHBondContact O-N 2.61Å
2819	S	77.5	Confident	70.9	Confident	72 Å²	72	71.9 Å²	71.9	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-57.1	-39.1	-170.2	177.6	0	0	0	0	114.1	G2822 L2823	S2819-G2822 PolarHBondContact O-N 3.2Å; S2819-L2823 VanDerWaalsContact O-CB 3.31Å; S2819-L2823 WeakPolarHBondContact O-CB 3.36Å; S2819-L2823 VanDerWaalsContact O-CG 3.31Å; S2819-L2823 WeakPolarHBondContact O-CG 3.48Å; S2819-L2823 PolarHBondContact O-N 3.22Å
2820	F	74.1	Confident	70.6	Confident	162 Å²	162	71.8 Å²	71.8	71%	0.711	39%	0.39	S	S	*	.	H	α-helix	trans	-65.4	-42	176.9	-178.8	-100.4	0	0	0	112.4	G2818 L2824	G2818-F2820 VanDerWaalsContact C-N 3.32Å; G2818-F2820 PolarHBondContact O-N 2.91Å; F2820-L2824 HydrophobicContact CE1-CD2 4.06Å; F2820-L2824 HydrophobicContact CZ-CD2 4.39Å; F2820-L2824 WeakPolarHBondContact O-CB 3.29Å; F2820-L2824 PolarHBondContact O-N 3.23Å
2821	H	66	Low	70.4	Confident	119 Å²	119	72 Å²	72	55%	0.551	39%	0.387	S	S	*	.	H	α-helix	trans	-67.6	-41.1	178	-167.8	80.6	0	0	0	111.2	G2817 G2818 L2824 A2825	G2817-H2821 WeakPolarHBondContact O-CB 3.44Å; G2818-H2821 PolarHBondContact O-N 2.84Å; H2821-L2824 PolarHBondContact O-N 3.31Å; H2821-A2825 VanDerWaalsContact O-CB 3.26Å; H2821-A2825 WeakPolarHBondContact O-CB 3.43Å; H2821-A2825 PolarHBondContact O-N 2.95Å
2822	G	68.8	Low	70.5	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-43.4	175.8	0	0	0	0	0	114.1	D2814 G2818 S2819 M2826	D2814-G2822 WeakPolarHBondContact O-CA 3.36Å; G2818-G2822 PolarHBondContact O-N 2.61Å; S2819-G2822 PolarHBondContact O-N 3.2Å; G2822-M2826 PolarHBondContact O-N 3.03Å; G2822-M2826 VanDerWaalsContact O-N 3.1Å
2823	L	73.3	Confident	71.2	Confident	73 Å²	73	63 Å²	63	38%	0.382	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-43.7	173.8	-76.6	165.7	0	0	0	111.2	L2813 S2819 M2826 L2827	L2813-L2823 HydrophobicContact CD2-CD2 3.81Å; L2813-L2823 HydrophobicContact CD2-CG 4.34Å; S2819-L2823 VanDerWaalsContact O-CB 3.31Å; S2819-L2823 WeakPolarHBondContact O-CB 3.36Å; S2819-L2823 VanDerWaalsContact O-CG 3.31Å; S2819-L2823 WeakPolarHBondContact O-CG 3.48Å; S2819-L2823 PolarHBondContact O-N 3.22Å; L2823-M2826 PolarHBondContact O-N 3.44Å; L2823-L2827 VanDerWaalsContact O-CB 3.3Å; L2823-L2827 WeakPolarHBondContact O-CB 3.31Å; L2823-L2827 VanDerWaalsContact O-CG 3.24Å; L2823-L2827 WeakPolarHBondContact O-CG 3.46Å; L2823-L2827 PolarHBondContact O-N 2.66Å
2824	L	69.7	Low	72.1	Confident	81 Å²	81	60.3 Å²	60.3	42%	0.424	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-44	177.3	-175.5	62.2	0	0	0	111.3	F2820 H2821 M2826 L2827 L2828	F2820-L2824 HydrophobicContact CE1-CD2 4.06Å; F2820-L2824 HydrophobicContact CZ-CD2 4.39Å; F2820-L2824 WeakPolarHBondContact O-CB 3.29Å; F2820-L2824 PolarHBondContact O-N 3.23Å; H2821-L2824 PolarHBondContact O-N 3.31Å; L2824-M2826 VanDerWaalsContact C-N 3.29Å; L2824-M2826 PolarHBondContact O-N 2.98Å; L2824-L2827 PolarHBondContact O-N 3.25Å; L2824-L2828 WeakPolarHBondContact O-CB 3.34Å; L2824-L2828 PolarHBondContact O-N 2.99Å
2825	A	69	Low	73.1	Confident	18 Å²	18	57.8 Å²	57.8	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-30	177.3	0	0	0	0	0	113.3	G2810 H2821	G2810-A2825 WeakPolarHBondContact CA-O 3.49Å; H2821-A2825 VanDerWaalsContact O-CB 3.26Å; H2821-A2825 WeakPolarHBondContact O-CB 3.43Å; H2821-A2825 PolarHBondContact O-N 2.95Å
2826	M	68.6	Low	74	Confident	64 Å²	64	55.6 Å²	55.6	32%	0.315	32%	0.317	S	S	.	.	H	α-helix	trans	-76.4	-46.8	171.2	-173.6	-160.3	66	0	0	112.2	L2813 G2822 L2823 L2824	L2813-M2826 HydrophobicContact CD1-SD 3.91Å; L2813-M2826 HydrophobicContact CD2-CB 3.7Å; L2813-M2826 HydrophobicContact CD2-CE 4.03Å; L2813-M2826 HydrophobicContact CD2-CG 4.16Å; L2813-M2826 HydrophobicContact CD2-SD 3.59Å; L2813-M2826 VanDerWaalsContact CD2-SD 3.59Å; L2813-M2826 HydrophobicContact CG-CB 4.19Å; L2813-M2826 HydrophobicContact CG-CG 4.24Å; L2813-M2826 HydrophobicContact CG-SD 3.52Å; L2813-M2826 VanDerWaalsContact CG-SD 3.52Å; G2822-M2826 PolarHBondContact O-N 3.03Å; G2822-M2826 VanDerWaalsContact O-N 3.1Å; L2823-M2826 PolarHBondContact O-N 3.44Å; L2824-M2826 VanDerWaalsContact C-N 3.29Å; L2824-M2826 PolarHBondContact O-N 2.98Å
2827	L	67.5	Low	74.9	Confident	101 Å²	101	51.3 Å²	51.3	53%	0.529	29%	0.286	S	S	.	.	H	α-helix	trans	-77.6	-25.2	-173	-69.4	169.7	0	0	0	113.4	L2823 L2824 Q2829 F2876	L2823-L2827 VanDerWaalsContact O-CB 3.3Å; L2823-L2827 WeakPolarHBondContact O-CB 3.31Å; L2823-L2827 VanDerWaalsContact O-CG 3.24Å; L2823-L2827 WeakPolarHBondContact O-CG 3.46Å; L2823-L2827 PolarHBondContact O-N 2.66Å; L2824-L2827 PolarHBondContact O-N 3.25Å; L2827-Q2829 PolarHBondContact O-N 3.24Å; L2827-F2876 VanDerWaalsContact O-CE2 3.26Å; L2827-F2876 WeakPolarHBondContact O-CE2 3.19Å; L2827-F2876 WeakPolarHBondContact O-CZ 3.34Å
2828	L	72.3	Confident	75.9	Confident	30 Å²	30	51.2 Å²	51.2	16%	0.157	28%	0.276	C	S	.	.			trans	-72.9	90.5	176.7	-174.7	63.5	0	0	0	109.6	Y2808 L2824 L2830 I2872 F2876	Y2808-L2828 HydrophobicContact CD1-CG 4.5Å; Y2808-L2828 WeakPolarHBondContact CD1-O 3.45Å; Y2808-L2828 WeakPolarHBondContact CE1-O 3.3Å; L2824-L2828 WeakPolarHBondContact O-CB 3.34Å; L2824-L2828 PolarHBondContact O-N 2.99Å; L2828-L2830 HydrophobicContact CD1-CD1 4.26Å; L2828-L2830 HydrophobicContact CD1-CD2 3.79Å; L2828-L2830 HydrophobicContact CD1-CG 3.82Å; L2828-L2830 HydrophobicContact CD2-CD1 4.33Å; L2828-L2830 HydrophobicContact CG-CD1 4.26Å; L2828-L2830 HydrophobicContact CG-CG 4.04Å; L2828-I2872 HydrophobicContact CD1-CG2 3.93Å; L2828-F2876 HydrophobicContact CD1-CD2 4.23Å
2829	Q	80.5	Confident	76.5	Confident	91 Å²	91	55.5 Å²	55.5	43%	0.425	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119	158.9	-172	174.4	2.9	0	0	108.3	Y2808 L2827 G2877	Y2808-Q2829 WeakPolarHBondContact O-CA 3.5Å; L2827-Q2829 PolarHBondContact O-N 3.24Å; Q2829-G2877 PolarHBondContact O-N 2.79Å
2830	L	76.4	Confident	76.8	Confident	10 Å²	10	56 Å²	56	5%	0.052	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132	174.8	-66.8	169	0	0	0	109.8	L2806 D2807 Y2808 L2828 A2833 I2872 S2875	L2806-L2830 HydrophobicContact CD2-CB 4.37Å; L2806-L2830 HydrophobicContact CD2-CD1 3.9Å; D2807-L2830 CarbonylContact C-O 3.6Å; D2807-L2830 WeakPolarHBondContact CA-O 3.42Å; Y2808-L2830 PolarHBondContact N-O 2.95Å; Y2808-L2830 PolarHBondContact O-N 3.33Å; L2828-L2830 HydrophobicContact CD1-CD1 4.26Å; L2828-L2830 HydrophobicContact CD1-CD2 3.79Å; L2828-L2830 HydrophobicContact CD1-CG 3.82Å; L2828-L2830 HydrophobicContact CD2-CD1 4.33Å; L2828-L2830 HydrophobicContact CG-CD1 4.26Å; L2828-L2830 HydrophobicContact CG-CG 4.04Å; L2830-A2833 HydrophobicContact CB-CB 4.5Å; L2830-I2872 HydrophobicContact CD1-CG1 4.4Å; L2830-I2872 HydrophobicContact CD2-CB 4.36Å; L2830-I2872 HydrophobicContact CD2-CG1 4.13Å; L2830-I2872 HydrophobicContact CD2-CG2 4.45Å; L2830-S2875 CarbonylContact C-O 3.54Å; L2830-S2875 WeakPolarHBondContact CA-O 3.46Å
2831	T	76.6	Confident	77.4	Confident	21 Å²	21	51.9 Å²	51.9	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	111.8	176.3	45.6	0	0	0	0	109	S2875 G2877	T2831-S2875 PolarHBondContact N-O 2.84Å; T2831-S2875 VanDerWaalsContact O-CB 3.29Å; T2831-S2875 WeakPolarHBondContact O-CB 3.26Å; T2831-G2877 WeakPolarHBondContact OG1-CA 3.48Å; T2831-G2877 PolarHBondContact OG1-O 3.14Å
2832	N	77.7	Confident	78.4	Confident	27 Å²	27	47.3 Å²	47.3	14%	0.144	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.4	53.3	177.7	-167.1	33	0	0	0	112.4	H2805 L2806 D2807 E2834 S2875 H2880	H2805-N2832 PolarHBondContact ND1-OD1 2.83Å; L2806-N2832 PolarHBondContact O-N 3.44Å; D2807-N2832 WeakPolarHBondContact OD1-CA 3.37Å; D2807-N2832 PolarHBondContact OD1-N 3.47Å; N2832-E2834 PolarHBondContact O-N 2.67Å; N2832-S2875 PolarHBondContact O-OG 2.93Å; N2832-H2880 PolarHBondContact ND2-CE1 2.84Å; N2832-H2880 PolarHBondContact ND2-NE2 2.83Å
2833	A	82.4	Confident	79.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	104.3	170.5	0	0	0	0	0	109.4	L2806 L2830 F2835 S2875	L2806-A2833 HydrophobicContact CB-CB 4.34Å; L2806-A2833 PolarHBondContact N-O 3.28Å; L2806-A2833 WeakPolarHBondContact O-CB 3.27Å; L2806-A2833 PolarHBondContact O-N 3.29Å; L2830-A2833 HydrophobicContact CB-CB 4.5Å; A2833-F2835 HydrophobicContact CB-CE2 3.95Å; A2833-F2835 WeakPolarHBondContact O-CD2 3.31Å; A2833-S2875 VanDerWaalsContact CA-CB 3.44Å; A2833-S2875 WeakPolarHBondContact CA-OG 3.21Å
2834	E	82	Confident	79	Confident	39 Å²	39	58.6 Å²	58.6	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.7	-177.1	-170.6	174.7	158.3	0	0	111.2	H2805 N2832 T2836 G2914	H2805-E2834 IonicContact CE1-OE1 2.84Å; H2805-E2834 IonicContact CE1-OE2 3.89Å; H2805-E2834 PolarHBondContact CE1-OE2 3.16Å; H2805-E2834 IonicContact ND1-OE2 2.81Å; N2832-E2834 PolarHBondContact O-N 2.67Å; E2834-T2836 HydrophobicContact CG-CG2 4.37Å; E2834-G2914 WeakPolarHBondContact OE1-CA 3.43Å; E2834-G2914 WeakPolarHBondContact OE2-CA 3.29Å; E2834-G2914 PolarHBondContact OE2-N 2.84Å; E2834-G2914 VanDerWaalsContact OE2-N 3.11Å
2835	F	82.5	Confident	79.2	Confident	16 Å²	16	55.8 Å²	55.8	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.7	169.3	-59.5	-92	0	0	0	108.7	S2803 I2804 L2806 A2833 I2864 Q2867 L2868 A2871	S2803-F2835 CarbonylContact C-O 3.59Å; S2803-F2835 WeakPolarHBondContact CA-O 3.1Å; I2804-F2835 HydrophobicContact CB-CB 4.48Å; I2804-F2835 PolarHBondContact N-O 3.23Å; I2804-F2835 PolarHBondContact O-N 3.12Å; L2806-F2835 HydrophobicContact CB-CD2 4.48Å; L2806-F2835 HydrophobicContact CB-CE2 4.07Å; A2833-F2835 HydrophobicContact CB-CE2 3.95Å; A2833-F2835 WeakPolarHBondContact O-CD2 3.31Å; F2835-I2864 HydrophobicContact CD1-CG2 4.4Å; F2835-I2864 HydrophobicContact CE1-CG2 4.31Å; F2835-Q2867 HydrophobicContact CD1-CB 4.15Å; F2835-L2868 HydrophobicContact CE1-CB 4.37Å; F2835-L2868 HydrophobicContact CE1-CD1 3.89Å; F2835-L2868 HydrophobicContact CZ-CD1 3.75Å; F2835-A2871 HydrophobicContact CD1-CB 4.4Å; F2835-A2871 HydrophobicContact CE1-CB 3.9Å; F2835-A2871 HydrophobicContact CE2-CB 4.48Å; F2835-A2871 HydrophobicContact CZ-CB 3.94Å
2836	T	83.4	Confident	79.9	Confident	59 Å²	59	55.8 Å²	55.8	36%	0.362	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	105.3	-178.7	44.7	0	0	0	0	110	E2834 P2838 Q2867	E2834-T2836 HydrophobicContact CG-CG2 4.37Å; T2836-P2838 VanDerWaalsContact O-CD 3.29Å; T2836-P2838 WeakPolarHBondContact O-CD 3.46Å; T2836-Q2867 PolarHBondContact O-NE2 3.45Å
2837	I	85.7	Confident	80.3	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.051	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	109.8	175.4	-62.2	156.8	0	0	0	107.2	F2798 D2801 L2802 I2804 L2860	F2798-I2837 HydrophobicContact CD1-CG2 4.42Å; F2798-I2837 HydrophobicContact CE1-CG2 3.84Å; F2798-I2837 HydrophobicContact CZ-CG2 4.42Å; D2801-I2837 WeakPolarHBondContact CA-O 3.11Å; L2802-I2837 HydrophobicContact CB-CB 4.31Å; L2802-I2837 HydrophobicContact CD2-CD1 4.09Å; L2802-I2837 HydrophobicContact CG-CD1 4.46Å; L2802-I2837 PolarHBondContact N-O 2.97Å; L2802-I2837 PolarHBondContact O-N 2.93Å; I2804-I2837 HydrophobicContact CD1-CD1 3.59Å; I2804-I2837 HydrophobicContact CG1-CD1 4.28Å; I2837-L2860 HydrophobicContact CD1-CD1 3.66Å; I2837-L2860 HydrophobicContact CG1-CD1 4.22Å; I2837-L2860 HydrophobicContact CG2-CD1 4.43Å
2838	P	85.5	Confident	80.7	Confident	49 Å²	49	55.2 Å²	55.2	32%	0.318	26%	0.263	S	S	.	.			trans	-70.5	154.6	-178.8	31.1	-36.2	0	0	0	111.1	D2801 T2836 R2840	D2801-P2838 WeakPolarHBondContact OD1-CA 3.35Å; T2836-P2838 VanDerWaalsContact O-CD 3.29Å; T2836-P2838 WeakPolarHBondContact O-CD 3.46Å; P2838-R2840 PolarHBondContact O-N 2.85Å
2839	R	86.2	Confident	81.1	Confident	124 Å²	124	58 Å²	58	47%	0.468	27%	0.274	S	S	.	.			trans	-47.3	119.2	169.6	-174.3	-164.7	-173.9	156.1	2.7	110.8	F2798 Y2799 D2801	F2798-R2839 WeakPolarHBondContact O-CA 3.32Å; F2798-R2839 WeakPolarHBondContact O-CG 3.44Å; Y2799-R2839 HydrophobicContact CD2-CG 4.05Å; D2801-R2839 WeakPolarHBondContact OD1-CB 3.46Å; D2801-R2839 PolarHBondContact OD1-N 3.38Å
2840	R	85.6	Confident	81.3	Confident	82 Å²	82	58.7 Å²	58.7	31%	0.309	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.4	173.9	-63.7	-55.8	-143.3	-170.8	6.1	111	F2798 P2838 Y2842 D2859	F2798-R2840 HydrophobicContact CB-CB 4.45Å; F2798-R2840 PolarHBondContact N-O 2.97Å; F2798-R2840 PolarHBondContact O-N 2.84Å; P2838-R2840 PolarHBondContact O-N 2.85Å; R2840-Y2842 HydrophobicContact CB-CD2 4.14Å; R2840-Y2842 HydrophobicContact CB-CE2 3.43Å; R2840-Y2842 VanDerWaalsContact CB-CE2 3.43Å; R2840-Y2842 HydrophobicContact CG-CE2 4.25Å; R2840-D2859 IonicContact CZ-OD2 3.64Å; R2840-D2859 IonicContact NE-OD2 3.92Å; R2840-D2859 PolarHBondContact NE-OD2 3.41Å; R2840-D2859 IonicContact NH2-OD1 3.61Å; R2840-D2859 PolarHBondContact NH2-OD1 2.98Å; R2840-D2859 IonicContact NH2-OD2 2.75Å; R2840-D2859 PolarHBondContact NH2-OD2 2.81Å
2841	I	86.7	Confident	81.7	Confident	76 Å²	76	64.7 Å²	64.7	39%	0.39	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	103.1	174.9	-43.9	-177.8	0	0	0	107.9	T2797 Q2843	T2797-I2841 HydrophobicContact CG2-CG1 4.35Å; I2841-Q2843 HydrophobicContact CG2-CG 4.02Å
2842	Y	85.6	Confident	82.1	Confident	22 Å²	22	64.1 Å²	64.1	9%	0.086	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.2	-179.8	-51.4	-99.9	0	0	0	108.8	K2795 F2796 R2840 E2855 V2856 D2859	K2795-Y2842 WeakPolarHBondContact CA-O 3.48Å; F2796-Y2842 HydrophobicContact CB-CD2 4.36Å; F2796-Y2842 AromaticContact CD1-CD2 3.41Å; F2796-Y2842 HydrophobicContact CD1-CD2 3.41Å; F2796-Y2842 VanDerWaalsContact CD1-CD2 3.41Å; F2796-Y2842 AromaticContact CD1-CE2 3.68Å; F2796-Y2842 HydrophobicContact CD1-CE2 3.68Å; F2796-Y2842 HydrophobicContact CD1-CG 4.34Å; F2796-Y2842 HydrophobicContact CE1-CD2 4.12Å; F2796-Y2842 AromaticContact CE1-CE2 3.91Å; F2796-Y2842 HydrophobicContact CE1-CE2 3.91Å; F2796-Y2842 HydrophobicContact CG-CD2 4.27Å; F2796-Y2842 PolarHBondContact N-O 3.38Å; F2796-Y2842 PolarHBondContact O-N 3.29Å; R2840-Y2842 HydrophobicContact CB-CD2 4.14Å; R2840-Y2842 HydrophobicContact CB-CE2 3.43Å; R2840-Y2842 VanDerWaalsContact CB-CE2 3.43Å; R2840-Y2842 HydrophobicContact CG-CE2 4.25Å; Y2842-E2855 HydrophobicContact CE1-CG 4.33Å; Y2842-V2856 HydrophobicContact CE1-CG2 4.26Å; Y2842-V2856 HydrophobicContact CE2-CG2 3.87Å; Y2842-D2859 PolarHBondContact OH-OD2 3.21Å
2843	Q	83	Confident	82.5	Confident	130 Å²	130	67.4 Å²	67.4	61%	0.607	32%	0.315	S	S	*	.			trans	-128.5	15.4	-176.4	-55.2	-175.5	14.8	0	0	112.3	K2795 I2841 G2845	K2795-Q2843 HydrophobicContact CG-CG 4.45Å; I2841-Q2843 HydrophobicContact CG2-CG 4.02Å; Q2843-G2845 VanDerWaalsContact C-N 3.29Å; Q2843-G2845 PolarHBondContact O-N 3.29Å
2844	R	71.3	Confident	82.8	Confident	180 Å²	180	71.7 Å²	71.7	68%	0.679	34%	0.335	S	S	*	.	S	Bend	trans	-74.4	-15	-173.4	-62.6	-171.2	-168	152.5	11.6	114.3	Y2846 E2855	R2844-Y2846 HydrophobicContact CB-CE2 4.4Å; R2844-E2855 IonicContact CZ-OE1 3.26Å; R2844-E2855 VanDerWaalsContact CZ-OE1 3.28Å; R2844-E2855 IonicContact NH1-OE1 2.78Å; R2844-E2855 PolarHBondContact NH1-OE1 2.86Å; R2844-E2855 IonicContact NH1-OE2 3.82Å; R2844-E2855 PolarHBondContact NH1-OE2 3.11Å; R2844-E2855 IonicContact NH2-OE1 2.86Å; R2844-E2855 PolarHBondContact NH2-OE1 2.83Å
2845	G	75.3	Confident	82.9	Confident	22 Å²	22	72.5 Å²	72.5	23%	0.227	34%	0.339	C	S	.	.			trans	79.3	104	-174.5	0	0	0	0	0	112.4	I2793 Q2843	I2793-G2845 WeakPolarHBondContact O-CA 3.41Å; Q2843-G2845 VanDerWaalsContact C-N 3.29Å; Q2843-G2845 PolarHBondContact O-N 3.29Å
2846	Y	82.2	Confident	83.1	Confident	19 Å²	19	73.3 Å²	73.3	8%	0.075	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-107.2	129.8	179.7	-57.2	-98	0	0	0	110.5	I2793 R2844 S2848 L2852 E2855	I2793-Y2846 PolarHBondContact N-O 2.85Å; I2793-Y2846 PolarHBondContact O-N 2.81Å; R2844-Y2846 HydrophobicContact CB-CE2 4.4Å; Y2846-S2848 VanDerWaalsContact C-N 3.28Å; Y2846-S2848 PolarHBondContact O-N 3.46Å; Y2846-L2852 HydrophobicContact CD1-CB 4.1Å; Y2846-L2852 HydrophobicContact CD1-CD1 4.33Å; Y2846-L2852 HydrophobicContact CD2-CB 4.48Å; Y2846-L2852 HydrophobicContact CD2-CD1 3.8Å; Y2846-L2852 HydrophobicContact CE1-CD1 4.23Å; Y2846-L2852 HydrophobicContact CE2-CD1 3.67Å; Y2846-L2852 HydrophobicContact CG-CB 4.01Å; Y2846-L2852 HydrophobicContact CG-CD1 4.13Å; Y2846-E2855 HydrophobicContact CE1-CB 4.22Å; Y2846-E2855 HydrophobicContact CE1-CG 4.35Å
2847	Q	77.1	Confident	83.3	Confident	122 Å²	122	73.3 Å²	73.3	57%	0.57	35%	0.345	S	S	*	.	S	Bend	trans	-75.6	-13.4	-178.8	-167.8	-177.9	7.5	0	0	113.7	L2791	L2791-Q2847 CarbonylContact O-C 3.56Å
2848	S	77.2	Confident	83.4	Confident	31 Å²	31	79.7 Å²	79.7	22%	0.217	37%	0.374	C	S	.	.	S	Bend	trans	-154.3	154.1	-172.9	57.3	0	0	0	0	110.2	Y2846 D2850 R2851	Y2846-S2848 VanDerWaalsContact C-N 3.28Å; Y2846-S2848 PolarHBondContact O-N 3.46Å; S2848-D2850 VanDerWaalsContact C-N 3.3Å; S2848-D2850 PolarHBondContact O-N 3.34Å; S2848-R2851 WeakPolarHBondContact OG-CG 3.5Å
2849	F	81	Confident	83.5	Confident	88 Å²	88	79 Å²	79	39%	0.386	37%	0.368	S	S	.	.	H	α-helix	trans	-65.1	-34.3	173	-81.2	-83	0	0	0	112.5	I2681 L2791 I2793 L2852 I2853	I2681-F2849 HydrophobicContact CD1-CE1 3.65Å; I2681-F2849 HydrophobicContact CD1-CZ 4.29Å; L2791-F2849 HydrophobicContact CD1-CE2 3.79Å; L2791-F2849 HydrophobicContact CD2-CD2 4.15Å; L2791-F2849 HydrophobicContact CD2-CE2 3.51Å; L2791-F2849 HydrophobicContact CD2-CZ 4.06Å; L2791-F2849 HydrophobicContact CG-CE2 4.31Å; I2793-F2849 HydrophobicContact CD1-CD1 3.65Å; I2793-F2849 HydrophobicContact CD1-CD2 4.24Å; I2793-F2849 HydrophobicContact CD1-CE1 3.82Å; I2793-F2849 HydrophobicContact CD1-CE2 4.38Å; I2793-F2849 HydrophobicContact CD1-CG 3.89Å; I2793-F2849 HydrophobicContact CD1-CZ 4.18Å; F2849-L2852 WeakPolarHBondContact O-CB 3.35Å; F2849-L2852 PolarHBondContact O-N 3.18Å; F2849-L2852 VanDerWaalsContact O-N 3.12Å; F2849-I2853 WeakPolarHBondContact O-CG1 3.12Å; F2849-I2853 PolarHBondContact O-N 3.31Å
2850	D	84.2	Confident	83.4	Confident	105 Å²	105	76.2 Å²	76.2	56%	0.561	36%	0.362	S	S	*	.	H	α-helix	trans	-65.1	-53.1	-172.6	-44.2	-80.2	0	0	0	110.9	S2848 L2852 I2853 E2854	S2848-D2850 VanDerWaalsContact C-N 3.3Å; S2848-D2850 PolarHBondContact O-N 3.34Å; D2850-L2852 PolarHBondContact O-N 3.43Å; D2850-L2852 VanDerWaalsContact O-N 3.16Å; D2850-I2853 CarbonylContact O-C 3.55Å; D2850-I2853 WeakPolarHBondContact O-CA 3.49Å; D2850-I2853 WeakPolarHBondContact O-CB 3.47Å; D2850-I2853 PolarHBondContact O-N 3.36Å; D2850-E2854 WeakPolarHBondContact O-CG 3.41Å; D2850-E2854 PolarHBondContact O-N 2.62Å
2851	R	84.1	Confident	83.4	Confident	137 Å²	137	75.2 Å²	75.2	52%	0.517	37%	0.367	S	S	.	.	H	α-helix	trans	-54.4	-31	170.6	-69.4	-179.1	179.4	161.5	4.5	114.7	S2848 E2854 E2855	S2848-R2851 WeakPolarHBondContact OG-CG 3.5Å; R2851-E2854 WeakPolarHBondContact CA-OE2 3.06Å; R2851-E2855 PolarHBondContact O-N 3.17Å
2852	L	85.6	Confident	83.4	Confident	8 Å²	8	74.4 Å²	74.4	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-73.3	-40.8	173.8	173.7	65.6	0	0	0	110.9	I2681 I2793 F2796 Y2846 F2849 D2850 V2856	I2681-L2852 HydrophobicContact CD1-CD2 4.38Å; I2793-L2852 HydrophobicContact CD1-CB 4.34Å; I2793-L2852 HydrophobicContact CD1-CD2 3.68Å; I2793-L2852 HydrophobicContact CG2-CD2 4.11Å; F2796-L2852 HydrophobicContact CB-CD1 4.09Å; F2796-L2852 HydrophobicContact CB-CD2 4.06Å; F2796-L2852 HydrophobicContact CD1-CD1 3.94Å; F2796-L2852 HydrophobicContact CD1-CD2 4.4Å; F2796-L2852 HydrophobicContact CD1-CG 4.48Å; F2796-L2852 HydrophobicContact CG-CD1 4.29Å; F2796-L2852 HydrophobicContact CG-CD2 4.15Å; Y2846-L2852 HydrophobicContact CD1-CB 4.1Å; Y2846-L2852 HydrophobicContact CD1-CD1 4.33Å; Y2846-L2852 HydrophobicContact CD2-CB 4.48Å; Y2846-L2852 HydrophobicContact CD2-CD1 3.8Å; Y2846-L2852 HydrophobicContact CE1-CD1 4.23Å; Y2846-L2852 HydrophobicContact CE2-CD1 3.67Å; Y2846-L2852 HydrophobicContact CG-CB 4.01Å; Y2846-L2852 HydrophobicContact CG-CD1 4.13Å; F2849-L2852 WeakPolarHBondContact O-CB 3.35Å; F2849-L2852 PolarHBondContact O-N 3.18Å; F2849-L2852 VanDerWaalsContact O-N 3.12Å; D2850-L2852 PolarHBondContact O-N 3.43Å; D2850-L2852 VanDerWaalsContact O-N 3.16Å; L2852-V2856 HydrophobicContact CD1-CG2 3.98Å; L2852-V2856 HydrophobicContact CG-CG2 4.39Å; L2852-V2856 VanDerWaalsContact O-CB 3.24Å; L2852-V2856 WeakPolarHBondContact O-CB 3.4Å; L2852-V2856 WeakPolarHBondContact O-CG2 3.28Å; L2852-V2856 PolarHBondContact O-N 2.98Å
2853	I	86.3	Confident	83.3	Confident	97 Å²	97	74.2 Å²	74.2	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-67.2	-42.2	177.2	-68	164.4	0	0	0	110.3	F2849 D2850 V2856 V2857	F2849-I2853 WeakPolarHBondContact O-CG1 3.12Å; F2849-I2853 PolarHBondContact O-N 3.31Å; D2850-I2853 CarbonylContact O-C 3.55Å; D2850-I2853 WeakPolarHBondContact O-CA 3.49Å; D2850-I2853 WeakPolarHBondContact O-CB 3.47Å; D2850-I2853 PolarHBondContact O-N 3.36Å; I2853-V2856 PolarHBondContact O-N 3.12Å; I2853-V2857 HydrophobicContact CG2-CG2 4.14Å; I2853-V2857 VanDerWaalsContact O-CB 3.27Å; I2853-V2857 WeakPolarHBondContact O-CB 3.18Å; I2853-V2857 WeakPolarHBondContact O-CG2 3.25Å; I2853-V2857 PolarHBondContact O-N 3.12Å
2854	E	87.3	Confident	83.4	Confident	89 Å²	89	70.9 Å²	70.9	42%	0.416	36%	0.355	S	S	.	.	H	α-helix	trans	-55.7	-58.4	174.5	-71.4	165.6	173.6	0	0	111	D2850 R2851 V2856 V2857 E2858	D2850-E2854 WeakPolarHBondContact O-CG 3.41Å; D2850-E2854 PolarHBondContact O-N 2.62Å; R2851-E2854 WeakPolarHBondContact CA-OE2 3.06Å; E2854-V2856 VanDerWaalsContact C-N 3.34Å; E2854-V2856 PolarHBondContact O-N 2.74Å; E2854-V2857 PolarHBondContact O-N 3.48Å; E2854-V2857 VanDerWaalsContact O-N 3.17Å; E2854-E2858 PolarHBondContact O-N 2.9Å
2855	E	85.6	Confident	83.9	Confident	56 Å²	56	65.6 Å²	65.6	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-57.5	-43.8	176.5	174.5	108	-157.8	0	0	111.5	Y2842 R2844 Y2846 R2851 V2857 E2858 D2859	Y2842-E2855 HydrophobicContact CE1-CG 4.33Å; R2844-E2855 IonicContact CZ-OE1 3.26Å; R2844-E2855 VanDerWaalsContact CZ-OE1 3.28Å; R2844-E2855 IonicContact NH1-OE1 2.78Å; R2844-E2855 PolarHBondContact NH1-OE1 2.86Å; R2844-E2855 IonicContact NH1-OE2 3.82Å; R2844-E2855 PolarHBondContact NH1-OE2 3.11Å; R2844-E2855 IonicContact NH2-OE1 2.86Å; R2844-E2855 PolarHBondContact NH2-OE1 2.83Å; Y2846-E2855 HydrophobicContact CE1-CB 4.22Å; Y2846-E2855 HydrophobicContact CE1-CG 4.35Å; R2851-E2855 PolarHBondContact O-N 3.17Å; E2855-V2857 VanDerWaalsContact C-N 3.34Å; E2855-V2857 PolarHBondContact O-N 3.11Å; E2855-E2858 PolarHBondContact O-N 2.98Å; E2855-D2859 VanDerWaalsContact O-CB 3.24Å; E2855-D2859 WeakPolarHBondContact O-CB 3.46Å; E2855-D2859 PolarHBondContact O-N 2.68Å
2856	V	86.1	Confident	84.3	Confident	33 Å²	33	68.2 Å²	68.2	20%	0.2	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-35	179.6	168.3	0	0	0	0	112.2	F2796 Y2842 L2852 I2853 E2854 L2860	F2796-V2856 HydrophobicContact CD1-CG2 3.92Å; F2796-V2856 HydrophobicContact CE1-CG1 4.38Å; F2796-V2856 HydrophobicContact CE1-CG2 3.66Å; Y2842-V2856 HydrophobicContact CE1-CG2 4.26Å; Y2842-V2856 HydrophobicContact CE2-CG2 3.87Å; L2852-V2856 HydrophobicContact CD1-CG2 3.98Å; L2852-V2856 HydrophobicContact CG-CG2 4.39Å; L2852-V2856 VanDerWaalsContact O-CB 3.24Å; L2852-V2856 WeakPolarHBondContact O-CB 3.4Å; L2852-V2856 WeakPolarHBondContact O-CG2 3.28Å; L2852-V2856 PolarHBondContact O-N 2.98Å; I2853-V2856 PolarHBondContact O-N 3.12Å; E2854-V2856 VanDerWaalsContact C-N 3.34Å; E2854-V2856 PolarHBondContact O-N 2.74Å; V2856-L2860 WeakPolarHBondContact O-CB 3.37Å; V2856-L2860 PolarHBondContact O-N 3.22Å
2857	V	87.8	Confident	84.3	Confident	60 Å²	60	69.6 Å²	69.6	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-74.6	-39.5	177.1	166.9	0	0	0	0	111.1	F2732 I2853 E2854 E2855 S2861	F2732-V2857 HydrophobicContact CE1-CG1 4.46Å; F2732-V2857 HydrophobicContact CZ-CG1 3.96Å; I2853-V2857 HydrophobicContact CG2-CG2 4.14Å; I2853-V2857 VanDerWaalsContact O-CB 3.27Å; I2853-V2857 WeakPolarHBondContact O-CB 3.18Å; I2853-V2857 WeakPolarHBondContact O-CG2 3.25Å; I2853-V2857 PolarHBondContact O-N 3.12Å; E2854-V2857 PolarHBondContact O-N 3.48Å; E2854-V2857 VanDerWaalsContact O-N 3.17Å; E2855-V2857 VanDerWaalsContact C-N 3.34Å; E2855-V2857 PolarHBondContact O-N 3.11Å; V2857-S2861 WeakPolarHBondContact O-CB 3.42Å; V2857-S2861 PolarHBondContact O-N 3.17Å
2858	E	88.4	Confident	84.4	Confident	144 Å²	144	67 Å²	67	67%	0.673	36%	0.362	S	S	*	.	H	α-helix	trans	-64.7	-46.3	172.9	-72.5	-171.4	-178.3	0	0	111.6	E2854 E2855 L2860 S2861 S2862	E2854-E2858 PolarHBondContact O-N 2.9Å; E2855-E2858 PolarHBondContact O-N 2.98Å; E2858-L2860 PolarHBondContact O-N 3.23Å; E2858-S2861 PolarHBondContact O-N 3.02Å; E2858-S2862 WeakPolarHBondContact O-CB 3.46Å; E2858-S2862 PolarHBondContact O-N 2.87Å
2859	D	86.5	Confident	84.3	Confident	35 Å²	35	69.6 Å²	69.6	19%	0.187	38%	0.377	C	S	.	.	H	α-helix	trans	-62.7	-45.4	178.3	-150.2	44.5	0	0	0	110.2	R2840 Y2842 E2855 S2862 I2863	R2840-D2859 IonicContact CZ-OD2 3.64Å; R2840-D2859 IonicContact NE-OD2 3.92Å; R2840-D2859 PolarHBondContact NE-OD2 3.41Å; R2840-D2859 IonicContact NH2-OD1 3.61Å; R2840-D2859 PolarHBondContact NH2-OD1 2.98Å; R2840-D2859 IonicContact NH2-OD2 2.75Å; R2840-D2859 PolarHBondContact NH2-OD2 2.81Å; Y2842-D2859 PolarHBondContact OH-OD2 3.21Å; E2855-D2859 VanDerWaalsContact O-CB 3.24Å; E2855-D2859 WeakPolarHBondContact O-CB 3.46Å; E2855-D2859 PolarHBondContact O-N 2.68Å; D2859-S2862 PolarHBondContact O-N 2.97Å; D2859-S2862 PolarHBondContact O-OG 3.18Å; D2859-I2863 WeakPolarHBondContact O-CD1 3.29Å; D2859-I2863 WeakPolarHBondContact O-CG1 3.45Å; D2859-I2863 PolarHBondContact O-N 2.86Å
2860	L	84.1	Confident	84	Confident	65 Å²	65	69.4 Å²	69.4	34%	0.34	38%	0.378	S	S	.	.	H	α-helix	trans	-63.8	-42.2	175	-174.9	118.9	0	0	0	112.7	I2837 V2856 E2858 I2863 I2864	I2837-L2860 HydrophobicContact CD1-CD1 3.66Å; I2837-L2860 HydrophobicContact CG1-CD1 4.22Å; I2837-L2860 HydrophobicContact CG2-CD1 4.43Å; V2856-L2860 WeakPolarHBondContact O-CB 3.37Å; V2856-L2860 PolarHBondContact O-N 3.22Å; E2858-L2860 PolarHBondContact O-N 3.23Å; L2860-I2863 PolarHBondContact O-N 2.93Å; L2860-I2864 HydrophobicContact CD2-CD1 3.63Å; L2860-I2864 HydrophobicContact CG-CD1 3.86Å; L2860-I2864 WeakPolarHBondContact O-CB 3.43Å; L2860-I2864 VanDerWaalsContact O-CG1 3.31Å; L2860-I2864 WeakPolarHBondContact O-CG1 3.41Å; L2860-I2864 PolarHBondContact O-N 3.24Å
2861	S	86.1	Confident	83.6	Confident	60 Å²	60	64.6 Å²	64.6	42%	0.42	35%	0.352	S	S	.	.	H	α-helix	trans	-62.5	-41.4	175.5	-176.6	0	0	0	0	111.5	V2857 E2858 I2864 S2865	V2857-S2861 WeakPolarHBondContact O-CB 3.42Å; V2857-S2861 PolarHBondContact O-N 3.17Å; E2858-S2861 PolarHBondContact O-N 3.02Å; S2861-I2864 PolarHBondContact O-N 2.96Å; S2861-S2865 VanDerWaalsContact O-CB 3.3Å; S2861-S2865 WeakPolarHBondContact O-CB 3.31Å; S2861-S2865 PolarHBondContact O-N 3.34Å; S2861-S2865 PolarHBondContact O-OG 2.9Å
2862	S	86.8	Confident	83	Confident	59 Å²	59	60.4 Å²	60.4	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-65.4	-40.4	175.9	82.6	0	0	0	0	112.3	E2858 D2859 S2865 A2866	E2858-S2862 WeakPolarHBondContact O-CB 3.46Å; E2858-S2862 PolarHBondContact O-N 2.87Å; D2859-S2862 PolarHBondContact O-N 2.97Å; D2859-S2862 PolarHBondContact O-OG 3.18Å; S2862-S2865 WeakPolarHBondContact CA-OG 3.18Å; S2862-S2865 PolarHBondContact O-OG 3.49Å; S2862-A2866 WeakPolarHBondContact O-CB 3.24Å; S2862-A2866 PolarHBondContact O-N 2.83Å
2863	I	84.3	Confident	82.3	Confident	19 Å²	19	65.1 Å²	65.1	10%	0.097	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-48.6	176.3	-66.9	158.8	0	0	0	110.4	D2859 L2860 A2866 Q2867	D2859-I2863 WeakPolarHBondContact O-CD1 3.29Å; D2859-I2863 WeakPolarHBondContact O-CG1 3.45Å; D2859-I2863 PolarHBondContact O-N 2.86Å; L2860-I2863 PolarHBondContact O-N 2.93Å; I2863-A2866 PolarHBondContact O-N 3.03Å; I2863-Q2867 WeakPolarHBondContact O-CB 3.39Å; I2863-Q2867 WeakPolarHBondContact O-CG 3.42Å; I2863-Q2867 PolarHBondContact O-N 3.04Å
2864	I	83.9	Confident	81.3	Confident	59 Å²	59	61.7 Å²	61.7	30%	0.303	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-49.1	-179.6	-69.9	169.1	0	0	0	110	F2835 L2860 S2861 A2866 Q2867 L2868	F2835-I2864 HydrophobicContact CD1-CG2 4.4Å; F2835-I2864 HydrophobicContact CE1-CG2 4.31Å; L2860-I2864 HydrophobicContact CD2-CD1 3.63Å; L2860-I2864 HydrophobicContact CG-CD1 3.86Å; L2860-I2864 WeakPolarHBondContact O-CB 3.43Å; L2860-I2864 VanDerWaalsContact O-CG1 3.31Å; L2860-I2864 WeakPolarHBondContact O-CG1 3.41Å; L2860-I2864 PolarHBondContact O-N 3.24Å; S2861-I2864 PolarHBondContact O-N 2.96Å; I2864-A2866 VanDerWaalsContact C-N 3.33Å; I2864-A2866 PolarHBondContact O-N 2.7Å; I2864-Q2867 PolarHBondContact O-N 2.94Å; I2864-Q2867 VanDerWaalsContact O-N 3.16Å; I2864-L2868 VanDerWaalsContact O-CB 3.26Å; I2864-L2868 WeakPolarHBondContact O-CB 3.43Å; I2864-L2868 PolarHBondContact O-N 2.68Å
2865	S	83.2	Confident	80.5	Confident	69 Å²	69	57.6 Å²	57.6	48%	0.483	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-31.2	179.9	57.4	0	0	0	0	113.5	S2861 S2862 P2869	S2861-S2865 VanDerWaalsContact O-CB 3.3Å; S2861-S2865 WeakPolarHBondContact O-CB 3.31Å; S2861-S2865 PolarHBondContact O-N 3.34Å; S2861-S2865 PolarHBondContact O-OG 2.9Å; S2862-S2865 WeakPolarHBondContact CA-OG 3.18Å; S2862-S2865 PolarHBondContact O-OG 3.49Å; S2865-P2869 VanDerWaalsContact O-CD 3.3Å; S2865-P2869 WeakPolarHBondContact O-CD 3.25Å
2866	A	83.1	Confident	80	Confident	77 Å²	77	58.5 Å²	58.5	64%	0.636	34%	0.337	S	S	*	.	H	α-helix	trans	-72.3	-32.9	172.1	0	0	0	0	0	113.2	S2862 I2863 I2864	S2862-A2866 WeakPolarHBondContact O-CB 3.24Å; S2862-A2866 PolarHBondContact O-N 2.83Å; I2863-A2866 PolarHBondContact O-N 3.03Å; I2864-A2866 VanDerWaalsContact C-N 3.33Å; I2864-A2866 PolarHBondContact O-N 2.7Å
2867	Q	81.6	Confident	79.1	Confident	48 Å²	48	57.1 Å²	57.1	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-81.9	-27.7	176.3	-70.4	-178.8	10.8	0	0	113.1	F2835 T2836 I2863 I2864 H2870 A2871	F2835-Q2867 HydrophobicContact CD1-CB 4.15Å; T2836-Q2867 PolarHBondContact O-NE2 3.45Å; I2863-Q2867 WeakPolarHBondContact O-CB 3.39Å; I2863-Q2867 WeakPolarHBondContact O-CG 3.42Å; I2863-Q2867 PolarHBondContact O-N 3.04Å; I2864-Q2867 PolarHBondContact O-N 2.94Å; I2864-Q2867 VanDerWaalsContact O-N 3.16Å; Q2867-H2870 WeakPolarHBondContact O-CB 3.49Å; Q2867-H2870 PolarHBondContact O-N 3.09Å; Q2867-H2870 VanDerWaalsContact O-N 3.07Å; Q2867-A2871 PolarHBondContact O-N 3.02Å
2868	L	79.5	Confident	78.4	Confident	69 Å²	69	56.5 Å²	56.5	36%	0.361	33%	0.326	S	S	.	.	H	α-helix	trans	-53.7	-44.9	-171.8	-174	66.8	0	0	0	114.3	F2835 I2864 H2870 A2871 I2872	F2835-L2868 HydrophobicContact CE1-CB 4.37Å; F2835-L2868 HydrophobicContact CE1-CD1 3.89Å; F2835-L2868 HydrophobicContact CZ-CD1 3.75Å; I2864-L2868 VanDerWaalsContact O-CB 3.26Å; I2864-L2868 WeakPolarHBondContact O-CB 3.43Å; I2864-L2868 PolarHBondContact O-N 2.68Å; L2868-H2870 VanDerWaalsContact C-N 3.35Å; L2868-H2870 PolarHBondContact O-N 3.01Å; L2868-A2871 PolarHBondContact O-N 3.15Å; L2868-I2872 HydrophobicContact CD1-CD1 3.73Å; L2868-I2872 HydrophobicContact CD1-CG1 3.98Å; L2868-I2872 HydrophobicContact CD2-CD1 4.43Å; L2868-I2872 HydrophobicContact CG-CD1 3.71Å; L2868-I2872 HydrophobicContact CG-CG1 4.31Å; L2868-I2872 WeakPolarHBondContact O-CB 3.42Å; L2868-I2872 VanDerWaalsContact O-CG1 3.25Å; L2868-I2872 WeakPolarHBondContact O-CG1 3.35Å; L2868-I2872 PolarHBondContact O-N 3.31Å
2869	P	75.2	Confident	77.8	Confident	84 Å²	84	53.5 Å²	53.5	55%	0.545	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-39.1	177.9	-21.7	33.9	0	0	0	112.7	S2865 V2873	S2865-P2869 VanDerWaalsContact O-CD 3.3Å; S2865-P2869 WeakPolarHBondContact O-CD 3.25Å; P2869-V2873 VanDerWaalsContact O-CG2 3.27Å; P2869-V2873 WeakPolarHBondContact O-CG2 3.37Å; P2869-V2873 PolarHBondContact O-N 3.17Å
2870	H	75.1	Confident	77.3	Confident	85 Å²	85	52.3 Å²	52.3	39%	0.394	31%	0.307	S	S	.	.	H	α-helix	trans	-68.1	-49.6	177.3	-179.4	-71.8	0	0	0	110.7	Q2867 L2868 I2872 V2873 T2874 G2917	Q2867-H2870 WeakPolarHBondContact O-CB 3.49Å; Q2867-H2870 PolarHBondContact O-N 3.09Å; Q2867-H2870 VanDerWaalsContact O-N 3.07Å; L2868-H2870 VanDerWaalsContact C-N 3.35Å; L2868-H2870 PolarHBondContact O-N 3.01Å; H2870-I2872 PolarHBondContact O-N 3.25Å; H2870-V2873 PolarHBondContact O-N 3.4Å; H2870-T2874 PolarHBondContact O-N 3.3Å; H2870-T2874 PolarHBondContact O-OG1 3.46Å; H2870-T2874 VanDerWaalsContact O-OG1 3.13Å; H2870-G2917 WeakPolarHBondContact NE2-CA 3.43Å
2871	A	74.4	Confident	77.1	Confident	3 Å²	3	49.7 Å²	49.7	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-41.7	-179.9	0	0	0	0	0	112.2	F2835 Q2867 L2868 T2874 S2875	F2835-A2871 HydrophobicContact CD1-CB 4.4Å; F2835-A2871 HydrophobicContact CE1-CB 3.9Å; F2835-A2871 HydrophobicContact CE2-CB 4.48Å; F2835-A2871 HydrophobicContact CZ-CB 3.94Å; Q2867-A2871 PolarHBondContact O-N 3.02Å; L2868-A2871 PolarHBondContact O-N 3.15Å; A2871-T2874 PolarHBondContact O-OG1 3.21Å; A2871-S2875 VanDerWaalsContact O-CB 3.25Å; A2871-S2875 WeakPolarHBondContact O-CB 3.39Å; A2871-S2875 PolarHBondContact O-N 3.19Å
2872	I	73.2	Confident	76.9	Confident	50 Å²	50	49.2 Å²	49.2	26%	0.256	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-45.1	175	-72.1	173.7	0	0	0	111.1	L2828 L2830 L2868 H2870 F2876	L2828-I2872 HydrophobicContact CD1-CG2 3.93Å; L2830-I2872 HydrophobicContact CD1-CG1 4.4Å; L2830-I2872 HydrophobicContact CD2-CB 4.36Å; L2830-I2872 HydrophobicContact CD2-CG1 4.13Å; L2830-I2872 HydrophobicContact CD2-CG2 4.45Å; L2868-I2872 HydrophobicContact CD1-CD1 3.73Å; L2868-I2872 HydrophobicContact CD1-CG1 3.98Å; L2868-I2872 HydrophobicContact CD2-CD1 4.43Å; L2868-I2872 HydrophobicContact CG-CD1 3.71Å; L2868-I2872 HydrophobicContact CG-CG1 4.31Å; L2868-I2872 WeakPolarHBondContact O-CB 3.42Å; L2868-I2872 VanDerWaalsContact O-CG1 3.25Å; L2868-I2872 WeakPolarHBondContact O-CG1 3.35Å; L2868-I2872 PolarHBondContact O-N 3.31Å; H2870-I2872 PolarHBondContact O-N 3.25Å; I2872-F2876 WeakPolarHBondContact O-CB 3.31Å; I2872-F2876 PolarHBondContact O-N 2.73Å
2873	V	69.3	Low	76.5	Confident	106 Å²	106	48.1 Å²	48.1	64%	0.642	28%	0.278	S	S	*	.	H	α-helix	trans	-67.3	-41.2	-179	169.9	0	0	0	0	112	P2869 H2870	P2869-V2873 VanDerWaalsContact O-CG2 3.27Å; P2869-V2873 WeakPolarHBondContact O-CG2 3.37Å; P2869-V2873 PolarHBondContact O-N 3.17Å; H2870-V2873 PolarHBondContact O-N 3.4Å
2874	T	67.2	Low	76.2	Confident	26 Å²	26	49 Å²	49	16%	0.16	28%	0.282	C	S	.	.	H	α-helix	trans	-75.9	-27.3	179.7	55.5	0	0	0	0	113.9	H2870 A2871 H2880 V2916	H2870-T2874 PolarHBondContact O-N 3.3Å; H2870-T2874 PolarHBondContact O-OG1 3.46Å; H2870-T2874 VanDerWaalsContact O-OG1 3.13Å; A2871-T2874 PolarHBondContact O-OG1 3.21Å; T2874-H2880 VanDerWaalsContact O-CA 3.29Å; T2874-H2880 WeakPolarHBondContact O-CA 3.42Å; T2874-H2880 PolarHBondContact O-N 3.09Å; T2874-V2916 HydrophobicContact CG2-CG1 3.76Å
2875	S	70.2	Confident	76.3	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-120.1	20	-170.8	-62.8	0	0	0	0	113.8	L2830 T2831 N2832 A2833 A2871	L2830-S2875 CarbonylContact C-O 3.54Å; L2830-S2875 WeakPolarHBondContact CA-O 3.46Å; T2831-S2875 PolarHBondContact N-O 2.84Å; T2831-S2875 VanDerWaalsContact O-CB 3.29Å; T2831-S2875 WeakPolarHBondContact O-CB 3.26Å; N2832-S2875 PolarHBondContact O-OG 2.93Å; A2833-S2875 VanDerWaalsContact CA-CB 3.44Å; A2833-S2875 WeakPolarHBondContact CA-OG 3.21Å; A2871-S2875 VanDerWaalsContact O-CB 3.25Å; A2871-S2875 WeakPolarHBondContact O-CB 3.39Å; A2871-S2875 PolarHBondContact O-N 3.19Å
2876	F	74	Confident	76.3	Confident	75 Å²	75	51 Å²	51	33%	0.329	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-62.2	135	161.3	-169.2	-101.8	0	0	0	109.3	L2827 L2828 I2872 P2878 M2879 H2880	L2827-F2876 VanDerWaalsContact O-CE2 3.26Å; L2827-F2876 WeakPolarHBondContact O-CE2 3.19Å; L2827-F2876 WeakPolarHBondContact O-CZ 3.34Å; L2828-F2876 HydrophobicContact CD1-CD2 4.23Å; I2872-F2876 WeakPolarHBondContact O-CB 3.31Å; I2872-F2876 PolarHBondContact O-N 2.73Å; F2876-P2878 HydrophobicContact CD1-CG 4.07Å; F2876-P2878 HydrophobicContact CE1-CG 4.24Å; F2876-P2878 VanDerWaalsContact O-N 3.09Å; F2876-M2879 HydrophobicContact CB-CB 4.14Å; F2876-M2879 HydrophobicContact CB-CG 4.13Å; F2876-M2879 HydrophobicContact CD1-CG 4.15Å; F2876-M2879 WeakPolarHBondContact O-CA 3.45Å; F2876-M2879 WeakPolarHBondContact O-CB 3.43Å; F2876-M2879 PolarHBondContact O-N 3.39Å; F2876-H2880 PolarHBondContact O-N 3.17Å
2877	G	66.9	Low	76.1	Confident	4 Å²	4	48.8 Å²	48.8	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-29.1	-64.4	-166.7	0	0	0	0	0	117.5	Q2829 T2831	Q2829-G2877 PolarHBondContact O-N 2.79Å; T2831-G2877 WeakPolarHBondContact OG1-CA 3.48Å; T2831-G2877 PolarHBondContact OG1-O 3.14Å
2878	P	74.2	Confident	76.1	Confident	47 Å²	47	46.6 Å²	46.6	31%	0.305	25%	0.252	S	S	.	.	H	α-helix	trans	-80	-25.8	178	31.1	-36	0	0	0	114	F2876 H2880 E2881 V2882 L2978	F2876-P2878 HydrophobicContact CD1-CG 4.07Å; F2876-P2878 HydrophobicContact CE1-CG 4.24Å; F2876-P2878 VanDerWaalsContact O-N 3.09Å; P2878-H2880 VanDerWaalsContact C-N 3.32Å; P2878-H2880 PolarHBondContact O-N 3.48Å; P2878-E2881 PolarHBondContact O-N 3Å; P2878-V2882 WeakPolarHBondContact O-CG2 3.24Å; P2878-V2882 PolarHBondContact O-N 2.87Å; P2878-L2978 HydrophobicContact CB-CD2 4.47Å
2879	M	75.1	Confident	76.4	Confident	81 Å²	81	46.6 Å²	46.6	40%	0.399	25%	0.252	S	S	.	.	H	α-helix	trans	-69.7	-28.6	179.8	-62.8	-63	95.7	0	0	112.4	F2876 V2882 T2883	F2876-M2879 HydrophobicContact CB-CB 4.14Å; F2876-M2879 HydrophobicContact CB-CG 4.13Å; F2876-M2879 HydrophobicContact CD1-CG 4.15Å; F2876-M2879 WeakPolarHBondContact O-CA 3.45Å; F2876-M2879 WeakPolarHBondContact O-CB 3.43Å; F2876-M2879 PolarHBondContact O-N 3.39Å; M2879-V2882 HydrophobicContact CE-CB 4.46Å; M2879-V2882 HydrophobicContact CE-CG2 4.19Å; M2879-T2883 WeakPolarHBondContact O-CB 3.47Å; M2879-T2883 PolarHBondContact O-N 2.84Å; M2879-T2883 PolarHBondContact O-OG1 2.93Å
2880	H	77.2	Confident	76.9	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.046	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-50.2	172.7	-168.1	66.8	0	0	0	111.2	N2832 T2874 F2876 P2878 T2883 Q2884	N2832-H2880 PolarHBondContact ND2-CE1 2.84Å; N2832-H2880 PolarHBondContact ND2-NE2 2.83Å; T2874-H2880 VanDerWaalsContact O-CA 3.29Å; T2874-H2880 WeakPolarHBondContact O-CA 3.42Å; T2874-H2880 PolarHBondContact O-N 3.09Å; F2876-H2880 PolarHBondContact O-N 3.17Å; P2878-H2880 VanDerWaalsContact C-N 3.32Å; P2878-H2880 PolarHBondContact O-N 3.48Å; H2880-T2883 PolarHBondContact O-N 3.06Å; H2880-Q2884 PolarHBondContact CD2-NE2 3.31Å; H2880-Q2884 VanDerWaalsContact CD2-NE2 3.3Å; H2880-Q2884 PolarHBondContact NE2-NE2 3.41Å; H2880-Q2884 WeakPolarHBondContact O-CG 3.29Å; H2880-Q2884 PolarHBondContact O-N 3.03Å
2881	E	79.1	Confident	77.1	Confident	9 Å²	9	44.3 Å²	44.3	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-71.1	-39.6	-179.8	-49	-60.2	155.1	0	0	111.6	P2878 T2883 Q2884 F2885 A2974 Q2977 L2978	P2878-E2881 PolarHBondContact O-N 3Å; E2881-T2883 VanDerWaalsContact C-N 3.28Å; E2881-T2883 PolarHBondContact O-N 2.89Å; E2881-Q2884 PolarHBondContact O-N 3.06Å; E2881-F2885 WeakPolarHBondContact O-CB 3.24Å; E2881-F2885 PolarHBondContact O-N 3.47Å; E2881-A2974 HydrophobicContact CB-CB 4.38Å; E2881-A2974 VanDerWaalsContact O-CB 3.31Å; E2881-A2974 WeakPolarHBondContact O-CB 3.09Å; E2881-Q2977 HydrophobicContact CG-CB 4.29Å; E2881-Q2977 HydrophobicContact CG-CG 3.82Å; E2881-Q2977 WeakPolarHBondContact OE1-CG 3.44Å; E2881-L2978 HydrophobicContact CB-CD1 4.05Å; E2881-L2978 HydrophobicContact CB-CD2 3.86Å; E2881-L2978 HydrophobicContact CB-CG 3.59Å; E2881-L2978 HydrophobicContact CG-CG 4.42Å
2882	V	82.1	Confident	77.5	Confident	50 Å²	50	46.3 Å²	46.3	30%	0.303	24%	0.239	S	C	.	.	H	α-helix	trans	-60.7	-39	172.3	170.8	0	0	0	0	111.1	P2878 M2879 F2885 L2886 L2978	P2878-V2882 WeakPolarHBondContact O-CG2 3.24Å; P2878-V2882 PolarHBondContact O-N 2.87Å; M2879-V2882 HydrophobicContact CE-CB 4.46Å; M2879-V2882 HydrophobicContact CE-CG2 4.19Å; V2882-F2885 PolarHBondContact O-N 2.84Å; V2882-L2886 HydrophobicContact CG1-CD1 4.06Å; V2882-L2886 HydrophobicContact CG1-CG 4.49Å; V2882-L2886 WeakPolarHBondContact O-CB 3.2Å; V2882-L2886 VanDerWaalsContact O-CG 3.32Å; V2882-L2886 WeakPolarHBondContact O-CG 3.4Å; V2882-L2886 PolarHBondContact O-N 3.35Å; V2882-L2978 HydrophobicContact CG2-CD1 4.08Å; V2882-L2978 HydrophobicContact CG2-CD2 4.19Å
2883	T	78.1	Confident	78.1	Confident	37 Å²	37	47.9 Å²	47.9	23%	0.227	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-46.4	174.8	-59.3	0	0	0	0	110.7	M2879 H2880 E2881 F2885 L2886 L2887 V2916	M2879-T2883 WeakPolarHBondContact O-CB 3.47Å; M2879-T2883 PolarHBondContact O-N 2.84Å; M2879-T2883 PolarHBondContact O-OG1 2.93Å; H2880-T2883 PolarHBondContact O-N 3.06Å; E2881-T2883 VanDerWaalsContact C-N 3.28Å; E2881-T2883 PolarHBondContact O-N 2.89Å; T2883-F2885 VanDerWaalsContact C-N 3.35Å; T2883-F2885 PolarHBondContact O-N 2.92Å; T2883-L2886 PolarHBondContact O-N 3.43Å; T2883-L2887 WeakPolarHBondContact O-CB 3.35Å; T2883-L2887 PolarHBondContact O-N 2.8Å; T2883-V2916 HydrophobicContact CG2-CG1 4.31Å; T2883-V2916 HydrophobicContact CG2-CG2 4.26Å
2884	Q	78.7	Confident	78.8	Confident	37 Å²	37	48 Å²	48	17%	0.173	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-38.9	175	-72.9	-171.3	30.2	0	0	113.1	H2880 E2881 L2887 G2888 A2974	H2880-Q2884 PolarHBondContact CD2-NE2 3.31Å; H2880-Q2884 VanDerWaalsContact CD2-NE2 3.3Å; H2880-Q2884 PolarHBondContact NE2-NE2 3.41Å; H2880-Q2884 WeakPolarHBondContact O-CG 3.29Å; H2880-Q2884 PolarHBondContact O-N 3.03Å; E2881-Q2884 PolarHBondContact O-N 3.06Å; Q2884-L2887 WeakPolarHBondContact O-CB 3.21Å; Q2884-L2887 PolarHBondContact O-N 2.76Å; Q2884-G2888 PolarHBondContact O-N 3.18Å; Q2884-A2974 HydrophobicContact CB-CB 3.93Å
2885	F	84.3	Confident	79.3	Confident	71 Å²	71	48.2 Å²	48.2	31%	0.311	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-48.7	174.4	177.9	-81.7	0	0	0	111.1	E2881 V2882 T2883 L2887 G2888 L2889 T2971 A2974 T2975	E2881-F2885 WeakPolarHBondContact O-CB 3.24Å; E2881-F2885 PolarHBondContact O-N 3.47Å; V2882-F2885 PolarHBondContact O-N 2.84Å; T2883-F2885 VanDerWaalsContact C-N 3.35Å; T2883-F2885 PolarHBondContact O-N 2.92Å; F2885-L2887 VanDerWaalsContact C-N 3.3Å; F2885-L2887 PolarHBondContact O-N 3.08Å; F2885-G2888 PolarHBondContact O-N 3.28Å; F2885-L2889 HydrophobicContact CE1-CD2 4.19Å; F2885-L2889 VanDerWaalsContact O-CB 3.29Å; F2885-L2889 WeakPolarHBondContact O-CB 3.39Å; F2885-L2889 PolarHBondContact O-N 3.47Å; F2885-T2971 HydrophobicContact CD2-CG2 3.31Å; F2885-T2971 HydrophobicContact CE2-CG2 3.45Å; F2885-T2971 VanDerWaalsContact CE2-CG2 3.45Å; F2885-T2971 HydrophobicContact CG-CG2 3.95Å; F2885-T2971 HydrophobicContact CZ-CG2 4.18Å; F2885-A2974 HydrophobicContact CB-CB 4.03Å; F2885-T2975 WeakPolarHBondContact CD2-OG1 3.33Å
2886	L	84.3	Confident	79.7	Confident	100 Å²	100	49.2 Å²	49.2	52%	0.524	25%	0.247	S	C	.	.	H	α-helix	trans	-65.7	-32.9	176.1	-69.9	173.1	0	0	0	112	V2882 T2883 W2890	V2882-L2886 HydrophobicContact CG1-CD1 4.06Å; V2882-L2886 HydrophobicContact CG1-CG 4.49Å; V2882-L2886 WeakPolarHBondContact O-CB 3.2Å; V2882-L2886 VanDerWaalsContact O-CG 3.32Å; V2882-L2886 WeakPolarHBondContact O-CG 3.4Å; V2882-L2886 PolarHBondContact O-N 3.35Å; T2883-L2886 PolarHBondContact O-N 3.43Å; L2886-W2890 WeakPolarHBondContact O-CB 3.33Å; L2886-W2890 PolarHBondContact O-N 3.04Å
2887	L	79.4	Confident	80	Confident	29 Å²	29	48.7 Å²	48.7	15%	0.152	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-49.2	175.3	-136.8	67.1	0	0	0	111.2	T2883 Q2884 F2885 W2890 D2891 L2911 V2916	T2883-L2887 WeakPolarHBondContact O-CB 3.35Å; T2883-L2887 PolarHBondContact O-N 2.8Å; Q2884-L2887 WeakPolarHBondContact O-CB 3.21Å; Q2884-L2887 PolarHBondContact O-N 2.76Å; F2885-L2887 VanDerWaalsContact C-N 3.3Å; F2885-L2887 PolarHBondContact O-N 3.08Å; L2887-W2890 PolarHBondContact O-N 3Å; L2887-D2891 WeakPolarHBondContact O-CB 3.45Å; L2887-D2891 PolarHBondContact O-N 3.35Å; L2887-L2911 HydrophobicContact CD1-CD2 3.8Å; L2887-L2911 HydrophobicContact CD2-CB 3.99Å; L2887-L2911 HydrophobicContact CD2-CD2 4.26Å; L2887-L2911 HydrophobicContact CG-CB 4.22Å; L2887-L2911 HydrophobicContact CG-CD2 3.85Å; L2887-V2916 HydrophobicContact CD2-CG2 4.36Å
2888	G	80.2	Confident	80.4	Confident	3 Å²	3	50.2 Å²	50.2	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-38.1	177.4	0	0	0	0	0	112.5	Q2884 F2885 D2891 L2892 F2967 T2971	Q2884-G2888 PolarHBondContact O-N 3.18Å; F2885-G2888 PolarHBondContact O-N 3.28Å; G2888-D2891 PolarHBondContact O-N 3.49Å; G2888-L2892 PolarHBondContact O-N 2.88Å; G2888-F2967 WeakPolarHBondContact O-CD2 3.29Å; G2888-T2971 WeakPolarHBondContact CA-OG1 3.27Å
2889	L	86.1	Confident	80.2	Confident	68 Å²	68	50 Å²	50	36%	0.356	26%	0.259	S	S	.	.	H	α-helix	trans	-66.5	-41	172.6	-178.6	63.1	0	0	0	112.3	F2885 L2892 V2893 F2967	F2885-L2889 HydrophobicContact CE1-CD2 4.19Å; F2885-L2889 VanDerWaalsContact O-CB 3.29Å; F2885-L2889 WeakPolarHBondContact O-CB 3.39Å; F2885-L2889 PolarHBondContact O-N 3.47Å; L2889-L2892 WeakPolarHBondContact O-CB 3.35Å; L2889-L2892 PolarHBondContact O-N 2.74Å; L2889-V2893 PolarHBondContact O-N 3.26Å; L2889-F2967 HydrophobicContact CB-CE2 4.42Å; L2889-F2967 HydrophobicContact CD1-CE2 4.06Å
2890	W	85.2	Confident	80	Confident	111 Å²	111	52.8 Å²	52.8	42%	0.42	27%	0.269	S	S	.	.	H	α-helix	trans	-61.8	-47.1	173.1	177.2	-95.2	0	0	0	110.8	L2886 L2887 L2892 V2893 Y2894 L2923	L2886-W2890 WeakPolarHBondContact O-CB 3.33Å; L2886-W2890 PolarHBondContact O-N 3.04Å; L2887-W2890 PolarHBondContact O-N 3Å; W2890-L2892 VanDerWaalsContact C-N 3.29Å; W2890-L2892 PolarHBondContact O-N 3.48Å; W2890-V2893 PolarHBondContact O-N 2.73Å; W2890-V2893 VanDerWaalsContact O-N 3.08Å; W2890-Y2894 AromaticContact CE2-CD2 3.92Å; W2890-Y2894 AromaticContact CZ2-CD2 3.69Å; W2890-Y2894 HydrophobicContact CZ2-CD2 3.69Å; W2890-Y2894 HydrophobicContact CZ2-CE2 4.37Å; W2890-Y2894 HydrophobicContact CZ2-CG 4.37Å; W2890-Y2894 AromaticContact NE1-CD2 3.78Å; W2890-Y2894 AromaticContact NE1-CG 3.65Å; W2890-Y2894 WeakPolarHBondContact O-CB 3.47Å; W2890-Y2894 PolarHBondContact O-N 2.91Å; W2890-L2923 HydrophobicContact CD2-CD2 4.11Å; W2890-L2923 HydrophobicContact CE3-CD2 4.05Å; W2890-L2923 HydrophobicContact CH2-CD2 3.52Å; W2890-L2923 HydrophobicContact CZ2-CD2 3.56Å; W2890-L2923 HydrophobicContact CZ3-CD2 3.77Å
2891	D	80.4	Confident	79.7	Confident	10 Å²	10	60.1 Å²	60.1	5%	0.053	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-38.6	176.4	-113.7	31.6	0	0	0	112.6	L2887 G2888 V2893 Q2895 S2966	L2887-D2891 WeakPolarHBondContact O-CB 3.45Å; L2887-D2891 PolarHBondContact O-N 3.35Å; G2888-D2891 PolarHBondContact O-N 3.49Å; D2891-V2893 VanDerWaalsContact C-N 3.26Å; D2891-V2893 PolarHBondContact O-N 2.8Å; D2891-Q2895 VanDerWaalsContact CG-NE2 3.31Å; D2891-Q2895 WeakPolarHBondContact O-CB 3.09Å; D2891-Q2895 VanDerWaalsContact O-CG 3.27Å; D2891-Q2895 WeakPolarHBondContact O-CG 3.11Å; D2891-Q2895 PolarHBondContact O-N 3.41Å; D2891-Q2895 VanDerWaalsContact O-N 3.12Å; D2891-Q2895 PolarHBondContact OD2-NE2 3.09Å; D2891-S2966 VanDerWaalsContact OD2-CB 3.26Å; D2891-S2966 WeakPolarHBondContact OD2-CB 3.38Å; D2891-S2966 PolarHBondContact OD2-OG 2.86Å
2892	L	83.2	Confident	78.8	Confident	45 Å²	45	62.8 Å²	62.8	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-60.6	-34.2	175.7	-175.4	63.7	0	0	0	112.6	G2888 L2889 W2890 P2896 T2964 F2967	G2888-L2892 PolarHBondContact O-N 2.88Å; L2889-L2892 WeakPolarHBondContact O-CB 3.35Å; L2889-L2892 PolarHBondContact O-N 2.74Å; W2890-L2892 VanDerWaalsContact C-N 3.29Å; W2890-L2892 PolarHBondContact O-N 3.48Å; L2892-P2896 WeakPolarHBondContact O-CD 3.05Å; L2892-P2896 WeakPolarHBondContact O-CG 3.46Å; L2892-T2964 HydrophobicContact CD1-CG2 3.64Å; L2892-F2967 HydrophobicContact CB-CB 4.09Å; L2892-F2967 HydrophobicContact CB-CD2 3.77Å; L2892-F2967 HydrophobicContact CB-CG 4.19Å; L2892-F2967 HydrophobicContact CD1-CB 4.16Å; L2892-F2967 HydrophobicContact CD1-CG 4.34Å; L2892-F2967 HydrophobicContact CD2-CD1 4.36Å; L2892-F2967 HydrophobicContact CD2-CD2 3.56Å; L2892-F2967 HydrophobicContact CD2-CE1 4.49Å; L2892-F2967 HydrophobicContact CD2-CE2 3.71Å; L2892-F2967 HydrophobicContact CD2-CG 3.92Å; L2892-F2967 HydrophobicContact CD2-CZ 4.19Å; L2892-F2967 HydrophobicContact CG-CB 4.49Å; L2892-F2967 HydrophobicContact CG-CD2 4.17Å; L2892-F2967 HydrophobicContact CG-CG 4.37Å
2893	V	85.9	Confident	77.3	Confident	83 Å²	83	64.8 Å²	64.8	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-89.9	-44.6	-179.7	177.6	0	0	0	0	111.3	L2889 W2890 D2891 P2896 V2897	L2889-V2893 PolarHBondContact O-N 3.26Å; W2890-V2893 PolarHBondContact O-N 2.73Å; W2890-V2893 VanDerWaalsContact O-N 3.08Å; D2891-V2893 VanDerWaalsContact C-N 3.26Å; D2891-V2893 PolarHBondContact O-N 2.8Å; V2893-P2896 WeakPolarHBondContact O-CD 3.18Å; V2893-P2896 WeakPolarHBondContact O-CG 3.45Å; V2893-V2897 HydrophobicContact CG1-CG2 4.47Å; V2893-V2897 WeakPolarHBondContact O-CB 3.48Å; V2893-V2897 WeakPolarHBondContact O-CG2 3.33Å; V2893-V2897 PolarHBondContact O-N 3.26Å
2894	Y	82.1	Confident	75.9	Confident	109 Å²	109	67.4 Å²	67.4	43%	0.427	37%	0.365	S	S	.	.	H	α-helix	trans	-67.6	-40.2	-174.3	-177.2	-100.1	0	0	0	112.8	W2890 V2897 C2898	W2890-Y2894 AromaticContact CE2-CD2 3.92Å; W2890-Y2894 AromaticContact CZ2-CD2 3.69Å; W2890-Y2894 HydrophobicContact CZ2-CD2 3.69Å; W2890-Y2894 HydrophobicContact CZ2-CE2 4.37Å; W2890-Y2894 HydrophobicContact CZ2-CG 4.37Å; W2890-Y2894 AromaticContact NE1-CD2 3.78Å; W2890-Y2894 AromaticContact NE1-CG 3.65Å; W2890-Y2894 WeakPolarHBondContact O-CB 3.47Å; W2890-Y2894 PolarHBondContact O-N 2.91Å; Y2894-V2897 PolarHBondContact O-N 2.72Å; Y2894-C2898 WeakPolarHBondContact CE1-SG 3.2Å; Y2894-C2898 PolarHBondContact O-N 3.14Å; Y2894-C2898 PolarHBondContact O-SG 2.86Å
2895	Q	78.6	Confident	74.1	Confident	30 Å²	30	73.8 Å²	73.8	14%	0.14	40%	0.395	C	S	.	.	H	α-helix	trans	-68.2	-44.3	-177.8	-65.5	-172.1	28.5	0	0	114.8	D2891 V2897 S2899 R2962 S2966	D2891-Q2895 VanDerWaalsContact CG-NE2 3.31Å; D2891-Q2895 WeakPolarHBondContact O-CB 3.09Å; D2891-Q2895 VanDerWaalsContact O-CG 3.27Å; D2891-Q2895 WeakPolarHBondContact O-CG 3.11Å; D2891-Q2895 PolarHBondContact O-N 3.41Å; D2891-Q2895 VanDerWaalsContact O-N 3.12Å; D2891-Q2895 PolarHBondContact OD2-NE2 3.09Å; Q2895-V2897 VanDerWaalsContact C-N 3.33Å; Q2895-S2899 PolarHBondContact O-N 2.73Å; Q2895-S2899 VanDerWaalsContact O-N 3.16Å; Q2895-R2962 VanDerWaalsContact OE1-CD 3.29Å; Q2895-S2966 PolarHBondContact NE2-OG 3.36Å; Q2895-S2966 VanDerWaalsContact NE2-OG 3.14Å
2896	P	77.6	Confident	72	Confident	25 Å²	25	76.5 Å²	76.5	16%	0.162	41%	0.412	C	S	.	.	H	α-helix	trans	-68	-31.5	170.9	25.4	-32.7	0	0	0	112.6	L2892 V2893 S2899 F2900 L2960	L2892-P2896 WeakPolarHBondContact O-CD 3.05Å; L2892-P2896 WeakPolarHBondContact O-CG 3.46Å; V2893-P2896 WeakPolarHBondContact O-CD 3.18Å; V2893-P2896 WeakPolarHBondContact O-CG 3.45Å; P2896-S2899 PolarHBondContact O-N 3.07Å; P2896-F2900 PolarHBondContact O-N 3.38Å; P2896-L2960 HydrophobicContact CB-CB 4.44Å
2897	V	80.3	Confident	69.8	Low	63 Å²	63	76.8 Å²	76.8	38%	0.382	42%	0.42	S	S	.	.	H	α-helix	trans	-62.2	-48.3	173.4	162.7	0	0	0	0	111.5	V2893 Y2894 Q2895 S2899 F2900 Y2901	V2893-V2897 HydrophobicContact CG1-CG2 4.47Å; V2893-V2897 WeakPolarHBondContact O-CB 3.48Å; V2893-V2897 WeakPolarHBondContact O-CG2 3.33Å; V2893-V2897 PolarHBondContact O-N 3.26Å; Y2894-V2897 PolarHBondContact O-N 2.72Å; Q2895-V2897 VanDerWaalsContact C-N 3.33Å; V2897-S2899 VanDerWaalsContact C-N 3.27Å; V2897-S2899 PolarHBondContact O-N 2.87Å; V2897-F2900 WeakPolarHBondContact O-CB 3.1Å; V2897-F2900 PolarHBondContact O-N 3.36Å; V2897-Y2901 HydrophobicContact CG1-CD2 3.85Å; V2897-Y2901 HydrophobicContact CG1-CE2 3.94Å; V2897-Y2901 VanDerWaalsContact O-CD2 3.32Å; V2897-Y2901 WeakPolarHBondContact O-CD2 2.99Å; V2897-Y2901 PolarHBondContact O-N 3.43Å; V2897-Y2901 VanDerWaalsContact O-N 3.09Å
2898	C	76.2	Confident	67.6	Low	37 Å²	37	80.1 Å²	80.1	25%	0.25	44%	0.438	C	S	.	.	H	α-helix	trans	-60.6	-37.5	175	-67.3	0	0	0	0	112.2	Y2894 F2900 Y2901 G2902	Y2894-C2898 WeakPolarHBondContact CE1-SG 3.2Å; Y2894-C2898 PolarHBondContact O-N 3.14Å; Y2894-C2898 PolarHBondContact O-SG 2.86Å; C2898-F2900 VanDerWaalsContact C-N 3.26Å; C2898-F2900 PolarHBondContact O-N 3.16Å; C2898-Y2901 PolarHBondContact O-N 3.24Å; C2898-G2902 PolarHBondContact O-N 3.13Å
2899	S	69.6	Low	65.6	Low	43 Å²	43	84 Å²	84	30%	0.301	46%	0.461	S	S	.	.	H	α-helix	trans	-69.6	-21.3	175.6	-164.4	0	0	0	0	113.7	Q2895 P2896 V2897 G2955	Q2895-S2899 PolarHBondContact O-N 2.73Å; Q2895-S2899 VanDerWaalsContact O-N 3.16Å; P2896-S2899 PolarHBondContact O-N 3.07Å; V2897-S2899 VanDerWaalsContact C-N 3.27Å; V2897-S2899 PolarHBondContact O-N 2.87Å; S2899-G2955 PolarHBondContact OG-O 2.69Å
2900	F	71.1	Confident	63.2	Low	139 Å²	139	82.8 Å²	82.8	61%	0.61	46%	0.458	S	S	*	.	H	α-helix	trans	-81.3	-42.4	174.4	-172.6	-94.3	0	0	0	112	P2896 V2897 C2898 G2902 I2956	P2896-F2900 PolarHBondContact O-N 3.38Å; V2897-F2900 WeakPolarHBondContact O-CB 3.1Å; V2897-F2900 PolarHBondContact O-N 3.36Å; C2898-F2900 VanDerWaalsContact C-N 3.26Å; C2898-F2900 PolarHBondContact O-N 3.16Å; F2900-G2902 VanDerWaalsContact C-N 3.3Å; F2900-G2902 PolarHBondContact O-N 2.87Å; F2900-I2956 HydrophobicContact CD2-CD1 3.97Å; F2900-I2956 HydrophobicContact CD2-CG1 4.44Å
2901	Y	72.1	Confident	61.1	Low	164 Å²	164	79.8 Å²	79.8	64%	0.643	45%	0.45	S	S	*	.	H	α-helix	trans	-81.8	-0.4	-177	-72.3	-68.6	0	0	0	115.1	V2897 C2898 T2903	V2897-Y2901 HydrophobicContact CG1-CD2 3.85Å; V2897-Y2901 HydrophobicContact CG1-CE2 3.94Å; V2897-Y2901 VanDerWaalsContact O-CD2 3.32Å; V2897-Y2901 WeakPolarHBondContact O-CD2 2.99Å; V2897-Y2901 PolarHBondContact O-N 3.43Å; V2897-Y2901 VanDerWaalsContact O-N 3.09Å; C2898-Y2901 PolarHBondContact O-N 3.24Å; Y2901-T2903 PolarHBondContact O-N 3.06Å
2902	G	59.4	Low	59	Low	65 Å²	65	80.8 Å²	80.8	67%	0.67	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	16.6	169.9	0	0	0	0	0	115.1	C2898 F2900 A2904	C2898-G2902 PolarHBondContact O-N 3.13Å; F2900-G2902 VanDerWaalsContact C-N 3.3Å; F2900-G2902 PolarHBondContact O-N 2.87Å; G2902-A2904 PolarHBondContact O-N 2.88Å
2903	T	51.1	Low	57	Low	92 Å²	92	80.1 Å²	80.1	56%	0.564	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-65	123.3	-178.3	52.1	0	0	0	0	110.3	Y2901	Y2901-T2903 PolarHBondContact O-N 3.06Å
2904	A	48	Very low	55.1	Low	92 Å²	92	77.2 Å²	77.2	76%	0.76	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-53.1	146.1	178	0	0	0	0	0	112	G2902 L2906	G2902-A2904 PolarHBondContact O-N 2.88Å; A2904-L2906 PolarHBondContact O-N 3.03Å
2905	E	40.2	Very low	53.4	Low	170 Å²	170	76.8 Å²	76.8	79%	0.794	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-61.1	118.3	-164.1	-55.5	-169.9	141.5	0	0	112.9
2906	L	41.2	Very low	51.8	Low	129 Å²	129	75.9 Å²	75.9	68%	0.675	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-68.5	139.1	149.8	-102.5	78.5	0	0	0	108	A2904	A2904-L2906 PolarHBondContact O-N 3.03Å
2907	P	37.7	Very low	50.1	Low	105 Å²	105	76 Å²	76	68%	0.682	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-60.7	150.7	-176.8	25.1	-34.4	0	0	0	111.6	T2909	P2907-T2909 VanDerWaalsContact C-N 3.35Å; P2907-T2909 PolarHBondContact O-N 2.82Å
2908	N	33	Very low	48.4	Very low	99 Å²	99	77.3 Å²	77.3	53%	0.529	45%	0.454	S	S	.	.			trans	-59.9	76.6	-162.9	-66.5	-77.7	0	0	0	116.3	S2910 R2962	N2908-S2910 PolarHBondContact O-N 2.92Å; N2908-R2962 PolarHBondContact OD1-NH1 2.85Å; N2908-R2962 PolarHBondContact OD1-NH2 2.96Å
2909	T	38.2	Very low	46.8	Very low	85 Å²	85	76.4 Å²	76.4	52%	0.521	45%	0.449	S	S	.	.			trans	-88.4	87.1	160	58.2	0	0	0	0	109.6	P2907	P2907-T2909 VanDerWaalsContact C-N 3.35Å; P2907-T2909 PolarHBondContact O-N 2.82Å
2910	S	35.6	Very low	45.6	Very low	42 Å²	42	76.4 Å²	76.4	29%	0.294	45%	0.447	S	S	.	.			trans	-57.4	135.8	151.2	39.8	0	0	0	0	108.4	N2908 D2912	N2908-S2910 PolarHBondContact O-N 2.92Å; S2910-D2912 PolarHBondContact O-N 2.87Å
2911	L	41.7	Very low	44	Very low	49 Å²	49	72.3 Å²	72.3	26%	0.257	44%	0.435	S	S	.	.			trans	-73.1	77.8	-176.8	-96.5	76.5	0	0	0	111.7	L2887 A2919	L2887-L2911 HydrophobicContact CD1-CD2 3.8Å; L2887-L2911 HydrophobicContact CD2-CB 3.99Å; L2887-L2911 HydrophobicContact CD2-CD2 4.26Å; L2887-L2911 HydrophobicContact CG-CB 4.22Å; L2887-L2911 HydrophobicContact CG-CD2 3.85Å; L2911-A2919 HydrophobicContact CD2-CB 3.8Å
2912	D	36.2	Very low	42.5	Very low	30 Å²	30	72.3 Å²	72.3	16%	0.16	44%	0.438	C	S	.	.			trans	-67	151.1	164.7	-151.3	28.3	0	0	0	109.1	R2573 S2576 I2579 S2910 G2914 H2915	R2573-D2912 IonicContact CZ-OD2 3.4Å; R2573-D2912 IonicContact NE-OD2 2.71Å; R2573-D2912 PolarHBondContact NE-OD2 2.89Å; R2573-D2912 IonicContact NH2-OD2 3.23Å; R2573-D2912 PolarHBondContact NH2-OD2 2.82Å; S2576-D2912 PolarHBondContact OG-OD1 3.34Å; I2579-D2912 HydrophobicContact CD1-CB 4.12Å; S2910-D2912 PolarHBondContact O-N 2.87Å; D2912-G2914 PolarHBondContact O-N 2.8Å; D2912-H2915 PolarHBondContact O-N 2.82Å; D2912-H2915 VanDerWaalsContact O-N 3.09Å
2913	S	41.1	Very low	41.9	Very low	31 Å²	31	72.2 Å²	72.2	22%	0.217	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-55.7	-28.8	-168.7	-167.6	0	0	0	0	114.1	H2915 V2916	S2913-H2915 PolarHBondContact O-N 2.95Å; S2913-H2915 VanDerWaalsContact O-N 3.11Å; S2913-V2916 WeakPolarHBondContact O-CG2 3.33Å; S2913-V2916 PolarHBondContact O-N 2.92Å
2914	G	46.5	Very low	41.2	Very low	22 Å²	22	70.7 Å²	70.7	23%	0.227	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-71	5	178.8	0	0	0	0	0	116.7	E2834 D2912	E2834-G2914 WeakPolarHBondContact OE1-CA 3.43Å; E2834-G2914 WeakPolarHBondContact OE2-CA 3.29Å; E2834-G2914 PolarHBondContact OE2-N 2.84Å; E2834-G2914 VanDerWaalsContact OE2-N 3.11Å; D2912-G2914 PolarHBondContact O-N 2.8Å
2915	H	46.8	Very low	41.1	Very low	100 Å²	100	72.8 Å²	72.8	46%	0.463	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-117.2	9.4	174.7	-84.9	26.7	0	0	0	114.5	D2912 S2913 G2917 T2918 A2919	D2912-H2915 PolarHBondContact O-N 2.82Å; D2912-H2915 VanDerWaalsContact O-N 3.09Å; S2913-H2915 PolarHBondContact O-N 2.95Å; S2913-H2915 VanDerWaalsContact O-N 3.11Å; H2915-G2917 VanDerWaalsContact C-N 3.29Å; H2915-G2917 PolarHBondContact O-N 2.84Å; H2915-T2918 PolarHBondContact O-N 2.87Å; H2915-A2919 WeakPolarHBondContact O-CB 3.36Å; H2915-A2919 PolarHBondContact O-N 2.97Å
2916	V	44.4	Very low	41	Very low	12 Å²	12	72.6 Å²	72.6	7%	0.073	42%	0.419	C	S	.	.	H	α-helix	trans	-52.9	-45.2	174.7	171.8	0	0	0	0	111.5	T2874 T2883 L2887 S2913 T2918 A2919 V2920	T2874-V2916 HydrophobicContact CG2-CG1 3.76Å; T2883-V2916 HydrophobicContact CG2-CG1 4.31Å; T2883-V2916 HydrophobicContact CG2-CG2 4.26Å; L2887-V2916 HydrophobicContact CD2-CG2 4.36Å; S2913-V2916 WeakPolarHBondContact O-CG2 3.33Å; S2913-V2916 PolarHBondContact O-N 2.92Å; V2916-T2918 VanDerWaalsContact C-N 3.29Å; V2916-T2918 PolarHBondContact O-N 3.32Å; V2916-A2919 PolarHBondContact O-N 2.93Å; V2916-V2920 HydrophobicContact CG1-CG2 3.86Å; V2916-V2920 VanDerWaalsContact O-CB 3.31Å; V2916-V2920 WeakPolarHBondContact O-CB 3.48Å; V2916-V2920 VanDerWaalsContact O-CG2 3.26Å; V2916-V2920 WeakPolarHBondContact O-CG2 3.02Å; V2916-V2920 PolarHBondContact O-N 2.93Å
2917	G	42	Very low	40.5	Very low	28 Å²	28	76.2 Å²	76.2	29%	0.289	43%	0.429	S	S	.	.	H	α-helix	trans	-60.7	-34.1	178.4	0	0	0	0	0	114.3	H2870 H2915 C2921	H2870-G2917 WeakPolarHBondContact NE2-CA 3.43Å; H2915-G2917 VanDerWaalsContact C-N 3.29Å; H2915-G2917 PolarHBondContact O-N 2.84Å; G2917-C2921 WeakPolarHBondContact O-CB 3.44Å; G2917-C2921 PolarHBondContact O-N 3.02Å; G2917-C2921 PolarHBondContact O-SG 3.2Å
2918	T	43.8	Very low	40.4	Very low	89 Å²	89	78.9 Å²	78.9	55%	0.546	43%	0.43	S	S	.	.	H	α-helix	trans	-79.3	-42.2	177.2	-56	0	0	0	0	111.3	H2915 V2916 C2921 K2922	H2915-T2918 PolarHBondContact O-N 2.87Å; V2916-T2918 VanDerWaalsContact C-N 3.29Å; V2916-T2918 PolarHBondContact O-N 3.32Å; T2918-C2921 PolarHBondContact O-N 2.88Å; T2918-K2922 PolarHBondContact O-N 2.81Å
2919	A	42.1	Very low	40.5	Very low	18 Å²	18	79.9 Å²	79.9	15%	0.149	44%	0.442	C	S	.	.	H	α-helix	trans	-65.9	-45.9	178.4	0	0	0	0	0	112.1	L2911 H2915 V2916 C2921 K2922 L2923	L2911-A2919 HydrophobicContact CD2-CB 3.8Å; H2915-A2919 WeakPolarHBondContact O-CB 3.36Å; H2915-A2919 PolarHBondContact O-N 2.97Å; V2916-A2919 PolarHBondContact O-N 2.93Å; A2919-C2921 VanDerWaalsContact C-N 3.34Å; A2919-C2921 PolarHBondContact O-N 2.74Å; A2919-K2922 CarbonylContact O-C 3.59Å; A2919-K2922 WeakPolarHBondContact O-CA 3.31Å; A2919-K2922 WeakPolarHBondContact O-CB 3.17Å; A2919-K2922 PolarHBondContact O-N 2.83Å; A2919-L2923 WeakPolarHBondContact O-CB 3.3Å; A2919-L2923 WeakPolarHBondContact O-CG 3.29Å; A2919-L2923 PolarHBondContact O-N 2.63Å
2920	V	45	Very low	40.3	Very low	43 Å²	43	83.7 Å²	83.7	26%	0.261	45%	0.454	S	S	.	.	H	α-helix	trans	-64.2	-37.2	177.2	174	0	0	0	0	111.5	V2916 K2922 L2923	V2916-V2920 HydrophobicContact CG1-CG2 3.86Å; V2916-V2920 VanDerWaalsContact O-CB 3.31Å; V2916-V2920 WeakPolarHBondContact O-CB 3.48Å; V2916-V2920 VanDerWaalsContact O-CG2 3.26Å; V2916-V2920 WeakPolarHBondContact O-CG2 3.02Å; V2916-V2920 PolarHBondContact O-N 2.93Å; V2920-K2922 VanDerWaalsContact C-N 3.29Å; V2920-K2922 PolarHBondContact O-N 2.84Å; V2920-L2923 PolarHBondContact O-N 2.79Å
2921	C	38.9	Very low	40.5	Very low	53 Å²	53	91.1 Å²	91.1	36%	0.358	48%	0.483	S	S	.	.	H	α-helix	trans	-65.4	-30.6	170.9	-70.7	0	0	0	0	113	G2917 T2918 A2919 K2928	G2917-C2921 WeakPolarHBondContact O-CB 3.44Å; G2917-C2921 PolarHBondContact O-N 3.02Å; G2917-C2921 PolarHBondContact O-SG 3.2Å; T2918-C2921 PolarHBondContact O-N 2.88Å; A2919-C2921 VanDerWaalsContact C-N 3.34Å; A2919-C2921 PolarHBondContact O-N 2.74Å; C2921-K2928 WeakPolarHBondContact SG-CE 3.37Å; C2921-K2928 PolarHBondContact SG-NZ 2.66Å
2922	K	40.2	Very low	40	Very low	164 Å²	164	95.1 Å²	95.1	71%	0.713	51%	0.505	S	S	*	.	H	α-helix	trans	-80	-23.5	175.9	-129.4	175	-176.7	-179.9	0	113.2	T2918 A2919 V2920 G2924	T2918-K2922 PolarHBondContact O-N 2.81Å; A2919-K2922 CarbonylContact O-C 3.59Å; A2919-K2922 WeakPolarHBondContact O-CA 3.31Å; A2919-K2922 WeakPolarHBondContact O-CB 3.17Å; A2919-K2922 PolarHBondContact O-N 2.83Å; V2920-K2922 VanDerWaalsContact C-N 3.29Å; V2920-K2922 PolarHBondContact O-N 2.84Å; K2922-G2924 VanDerWaalsContact C-N 3.29Å; K2922-G2924 PolarHBondContact O-N 2.84Å
2923	L	46.6	Very low	39.9	Very low	64 Å²	64	105.3 Å²	105.3	34%	0.335	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.9	177.8	-80.5	162.3	0	0	0	114.1	W2890 A2919 V2920 L2925	W2890-L2923 HydrophobicContact CD2-CD2 4.11Å; W2890-L2923 HydrophobicContact CE3-CD2 4.05Å; W2890-L2923 HydrophobicContact CH2-CD2 3.52Å; W2890-L2923 HydrophobicContact CZ2-CD2 3.56Å; W2890-L2923 HydrophobicContact CZ3-CD2 3.77Å; A2919-L2923 WeakPolarHBondContact O-CB 3.3Å; A2919-L2923 WeakPolarHBondContact O-CG 3.29Å; A2919-L2923 PolarHBondContact O-N 2.63Å; V2920-L2923 PolarHBondContact O-N 2.79Å; L2923-L2925 PolarHBondContact O-N 2.8Å
2924	G	36.2	Very low	39.4	Very low	59 Å²	59	109.6 Å²	109.6	61%	0.608	56%	0.561	S	S	*	*	S	Bend	trans	70.8	-7.4	173.7	0	0	0	0	0	116.3	K2922 F2926	K2922-G2924 VanDerWaalsContact C-N 3.29Å; K2922-G2924 PolarHBondContact O-N 2.84Å; G2924-F2926 PolarHBondContact O-N 2.82Å
2925	L	45.8	Very low	38.8	Very low	136 Å²	136	117.1 Å²	117.1	71%	0.712	59%	0.591	S	S	*	*	S	Bend	trans	-64.4	-21	-177	-77.4	164.8	0	0	0	114.2	L2923	L2923-L2925 PolarHBondContact O-N 2.8Å
2926	F	38.2	Very low	38.1	Very low	167 Å²	167	118.8 Å²	118.8	73%	0.732	60%	0.601	S	S	*	*	S	Bend	trans	-131.6	120.6	168.5	-78.2	-84.6	0	0	0	111.2	G2924 K2928	G2924-F2926 PolarHBondContact O-N 2.82Å; F2926-K2928 PolarHBondContact O-N 2.87Å
2927	K	31.5	Very low	37.3	Very low	204 Å²	204	124 Å²	124	89%	0.887	64%	0.637	S	S	*	*			trans	-84.5	90.2	-170.2	-167.8	178.3	-174.4	179.5	0	111.6
2928	K	34.2	Very low	36.8	Very low	162 Å²	162	131.4 Å²	131.4	70%	0.704	66%	0.664	S	S	*	*			trans	-63.9	130.3	169.6	-83.2	-176.5	173.3	170.4	0	110.8	C2921 F2926	C2921-K2928 WeakPolarHBondContact SG-CE 3.37Å; C2921-K2928 PolarHBondContact SG-NZ 2.66Å; F2926-K2928 PolarHBondContact O-N 2.87Å
2929	P	35.5	Very low	36.2	Very low	119 Å²	119	132.1 Å²	132.1	77%	0.773	67%	0.672	S	S	*	*			trans	-73	156.3	168.8	30.9	-33.5	0	0	0	111.6
2930	H	34.8	Very low	35.6	Very low	166 Å²	166	140.9 Å²	140.9	77%	0.769	70%	0.702	S	S	*	*			trans	-41.8	143.5	-176.2	-66.5	-99.6	0	0	0	117
2931	Q	39.1	Very low	34.9	Very low	197 Å²	197	145.3 Å²	145.3	92%	0.921	72%	0.72	S	S	*	*				-145.6	132.9	101.8	-104	176.9	25.2	0	0	111.1
2932	L	30.4	Very low	34.6	Very low	134 Å²	134	150.2 Å²	150.2	70%	0.702	73%	0.732	S	S	*	*			trans	-88.9	143.5	170	-94	71.7	0	0	0	109.4
2933	R	34.5	Very low	34	Very low	243 Å²	243	150.5 Å²	150.5	92%	0.917	74%	0.738	S	S	*	*			trans	-149.5	136.9	132.6	-162.2	162	179.7	150.1	-0.2	110.6
2934	N	30.8	Very low	33.4	Very low	121 Å²	121	154.1 Å²	154.1	65%	0.647	76%	0.757	S	S	*	*			trans	-85.8	146.4	179.6	-46	-28.7	0	0	0	110.1
2935	E	33.6	Very low	33.3	Very low	181 Å²	181	158 Å²	158	85%	0.846	77%	0.769	S	S	*	*				-145.6	107.6	124.3	-68	-155.7	155.4	0	0	106.2
2936	I	32.8	Very low	32.7	Very low	134 Å²	134	158.3 Å²	158.3	69%	0.687	77%	0.771	S	S	*	*				65.8	93	93.4	-61.8	166.7	0	0	0	111.9
2937	C	27	Very low	32.6	Very low	122 Å²	122	156.8 Å²	156.8	82%	0.824	78%	0.776	S	S	*	*			trans	-80.4	130.4	161.1	-60	0	0	0	0	109.2
2938	H	31.5	Very low	32.6	Very low	183 Å²	183	152.2 Å²	152.2	85%	0.847	77%	0.769	S	S	*	*			trans	-95.9	113.6	163.2	-113.5	-82.9	0	0	0	109.7
2939	S	31.9	Very low	32.5	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	78%	0.779	S	S	*	*			trans	-90.6	123.1	177.1	-58.7	0	0	0	0	111
2940	R	29.5	Very low	32.4	Very low	202 Å²	202	147.9 Å²	147.9	76%	0.762	77%	0.769	S	S	*	*			trans	-179	156.3	156.7	-100.7	174.5	162.3	144.7	0.6	107.3	Y2942	R2940-Y2942 HydrophobicContact CG-CE2 4.22Å; R2940-Y2942 WeakPolarHBondContact CG-OH 3.33Å; R2940-Y2942 PolarHBondContact NE-OH 2.83Å
2941	E	30.6	Very low	32.8	Very low	137 Å²	137	146.6 Å²	146.6	64%	0.64	77%	0.773	S	S	*	*			cis	-130.1	174	9.2	-165.8	69.5	-161.6	0	0	109.9
2942	Y	31	Very low	33	Very low	155 Å²	155	142.7 Å²	142.7	61%	0.608	77%	0.768	S	S	*	*			trans	-86.4	-174.8	-169.3	-35.2	-74.9	0	0	0	111.3	R2940	R2940-Y2942 HydrophobicContact CG-CE2 4.22Å; R2940-Y2942 WeakPolarHBondContact CG-OH 3.33Å; R2940-Y2942 PolarHBondContact NE-OH 2.83Å
2943	M	28	Very low	33.8	Very low	171 Å²	171	147.9 Å²	147.9	84%	0.842	78%	0.778	S	S	*	*			cis	-160.2	177.7	13.8	-161.1	155.1	58.4	0	0	111
2944	L	34.1	Very low	34.7	Very low	140 Å²	140	139.5 Å²	139.5	73%	0.733	76%	0.757	S	S	*	*			trans	-71.2	150.3	170.9	-59	76.6	0	0	0	112.6
2945	T	34.1	Very low	36.3	Very low	141 Å²	141	135.4 Å²	135.4	87%	0.865	74%	0.743	S	S	*	*			trans	-145.1	144.1	132.3	45.7	0	0	0	0	110.4
2946	D	32.5	Very low	37.9	Very low	142 Å²	142	131.2 Å²	131.2	76%	0.759	73%	0.725	S	S	*	*			trans	-76	148.1	-175.7	-57.7	-93.7	0	0	0	114.2
2947	T	36.1	Very low	39.9	Very low	135 Å²	135	130.4 Å²	130.4	83%	0.828	72%	0.721	S	S	*	*			trans	-163	102.4	136.5	5.3	0	0	0	0	113.1
2948	S	32.8	Very low	42.1	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	71%	0.71	S	S	*	*			trans	30	110.6	148.2	60.4	0	0	0	0	120.2
2949	C	32.1	Very low	44	Very low	134 Å²	134	122.3 Å²	122.3	91%	0.905	67%	0.673	S	S	*	*				174.4	124.4	100.1	-171.3	0	0	0	0	113.9
2950	G	33.2	Very low	46.4	Very low	55 Å²	55	121.6 Å²	121.6	57%	0.567	66%	0.66	S	S	*	*	S	Bend	trans	98.3	123.8	148.2	0	0	0	0	0	119.4
2951	T	43.5	Very low	48.9	Very low	139 Å²	139	119.2 Å²	119.2	85%	0.853	65%	0.652	S	S	*	*			trans	74.4	23.2	161.8	68.8	0	0	0	0	119.6	R2953	T2951-R2953 PolarHBondContact O-N 3.18Å
2952	S	43.5	Very low	51	Low	116 Å²	116	117.6 Å²	117.6	81%	0.811	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	84.9	164.9	45.8	0	0	0	0	113.5
2953	R	45.9	Very low	53.2	Low	243 Å²	243	110.2 Å²	110.2	92%	0.917	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176.6	-21.3	154.5	-110.2	169.8	177.7	126	-0.6	114.6	T2951 G2955	T2951-R2953 PolarHBondContact O-N 3.18Å; R2953-G2955 VanDerWaalsContact C-N 3.28Å; R2953-G2955 PolarHBondContact O-N 3.43Å
2954	S	53.7	Low	55.9	Low	67 Å²	67	104.7 Å²	104.7	47%	0.469	59%	0.587	S	S	.	*			trans	-84.9	32.1	-166.6	-55.2	0	0	0	0	115.8	I2956 I2957 H2958	S2954-I2956 PolarHBondContact O-N 3.39Å; S2954-I2957 PolarHBondContact O-N 2.95Å; S2954-H2958 PolarHBondContact O-N 3.25Å
2955	G	65.5	Low	58.1	Low	34 Å²	34	104.8 Å²	104.8	35%	0.351	58%	0.577	S	S	.	*	H	α-helix	trans	-55.3	-54.5	-174	0	0	0	0	0	113.4	S2899 R2953 I2957 H2958 G2959	S2899-G2955 PolarHBondContact OG-O 2.69Å; R2953-G2955 VanDerWaalsContact C-N 3.28Å; R2953-G2955 PolarHBondContact O-N 3.43Å; G2955-I2957 VanDerWaalsContact C-N 3.25Å; G2955-I2957 PolarHBondContact O-N 2.83Å; G2955-H2958 WeakPolarHBondContact O-CA 3.37Å; G2955-H2958 WeakPolarHBondContact O-CB 3.44Å; G2955-H2958 PolarHBondContact O-N 3.12Å; G2955-G2959 PolarHBondContact O-N 2.88Å
2956	I	67.5	Low	59.8	Low	93 Å²	93	99 Å²	99	48%	0.477	54%	0.543	S	S	.	.	H	α-helix	trans	-58.2	-38.8	179	-56.3	170.6	0	0	0	111.1	F2900 S2954 G2959 L2960	F2900-I2956 HydrophobicContact CD2-CD1 3.97Å; F2900-I2956 HydrophobicContact CD2-CG1 4.44Å; S2954-I2956 PolarHBondContact O-N 3.39Å; I2956-G2959 PolarHBondContact O-N 3.35Å; I2956-L2960 VanDerWaalsContact O-CB 3.24Å; I2956-L2960 WeakPolarHBondContact O-CB 3.36Å; I2956-L2960 PolarHBondContact O-N 3.16Å
2957	I	74.1	Confident	62.1	Low	117 Å²	117	95.4 Å²	95.4	60%	0.6	52%	0.52	S	S	*	.	H	α-helix	trans	-68.2	-35.3	177.4	-57.9	172.7	0	0	0	110.8	S2954 G2955 R2961	S2954-I2957 PolarHBondContact O-N 2.95Å; G2955-I2957 VanDerWaalsContact C-N 3.25Å; G2955-I2957 PolarHBondContact O-N 2.83Å; I2957-R2961 WeakPolarHBondContact O-CB 3.43Å; I2957-R2961 PolarHBondContact O-N 3.07Å
2958	H	72.3	Confident	64.4	Low	130 Å²	130	92.2 Å²	92.2	60%	0.602	50%	0.504	S	S	*	.	H	α-helix	trans	-67.4	-47.5	172.9	-164.5	118.7	0	0	0	111.3	S2954 G2955 L2960 R2961 R2962	S2954-H2958 PolarHBondContact O-N 3.25Å; G2955-H2958 WeakPolarHBondContact O-CA 3.37Å; G2955-H2958 WeakPolarHBondContact O-CB 3.44Å; G2955-H2958 PolarHBondContact O-N 3.12Å; H2958-L2960 PolarHBondContact O-N 2.78Å; H2958-R2961 CarbonylContact O-C 3.52Å; H2958-R2961 PolarHBondContact O-N 2.81Å; H2958-R2962 WeakPolarHBondContact O-CB 3.47Å; H2958-R2962 PolarHBondContact O-N 2.97Å
2959	G	72.1	Confident	66.7	Low	6 Å²	6	91 Å²	91	6%	0.062	49%	0.492	C	S	.	.	H	α-helix	trans	-59.8	-45.2	177.2	0	0	0	0	0	112.3	G2955 I2956 R2962 G2963	G2955-G2959 PolarHBondContact O-N 2.88Å; I2956-G2959 PolarHBondContact O-N 3.35Å; G2959-R2962 WeakPolarHBondContact O-CB 3.44Å; G2959-R2962 PolarHBondContact O-N 3.27Å; G2959-G2963 PolarHBondContact O-N 3.48Å
2960	L	81.7	Confident	68.8	Low	88 Å²	88	86.4 Å²	86.4	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-68	-37.8	175	-172.1	147.3	0	0	0	112	P2896 I2956 H2958 R2962 G2963 T2964	P2896-L2960 HydrophobicContact CB-CB 4.44Å; I2956-L2960 VanDerWaalsContact O-CB 3.24Å; I2956-L2960 WeakPolarHBondContact O-CB 3.36Å; I2956-L2960 PolarHBondContact O-N 3.16Å; H2958-L2960 PolarHBondContact O-N 2.78Å; L2960-R2962 PolarHBondContact O-N 3.37Å; L2960-G2963 PolarHBondContact O-N 2.83Å; L2960-T2964 HydrophobicContact CD2-CG2 3.74Å; L2960-T2964 HydrophobicContact CG-CG2 4.17Å; L2960-T2964 VanDerWaalsContact O-CB 3.28Å; L2960-T2964 WeakPolarHBondContact O-CB 3.44Å; L2960-T2964 VanDerWaalsContact O-CG2 3.29Å; L2960-T2964 WeakPolarHBondContact O-CG2 3.39Å; L2960-T2964 PolarHBondContact O-N 3.36Å; L2960-T2964 PolarHBondContact O-OG1 3.36Å
2961	R	81.9	Confident	71.3	Confident	153 Å²	153	84 Å²	84	58%	0.577	44%	0.435	S	S	*	.	H	α-helix	trans	-66.5	-24.3	172.8	-173.6	179.2	-173	-164.7	5	112.7	I2957 H2958 T2964 R2965	I2957-R2961 WeakPolarHBondContact O-CB 3.43Å; I2957-R2961 PolarHBondContact O-N 3.07Å; H2958-R2961 CarbonylContact O-C 3.52Å; H2958-R2961 PolarHBondContact O-N 2.81Å; R2961-T2964 WeakPolarHBondContact CA-OG1 3.5Å; R2961-R2965 VanDerWaalsContact O-CD 3.24Å; R2961-R2965 WeakPolarHBondContact O-CD 3.37Å; R2961-R2965 VanDerWaalsContact O-CG 3.25Å; R2961-R2965 WeakPolarHBondContact O-CG 3.45Å
2962	R	74.9	Confident	73.4	Confident	102 Å²	102	80.6 Å²	80.6	39%	0.385	41%	0.412	S	S	.	.	H	α-helix	trans	-80.9	-49	174.2	-159.5	-170.1	169.3	140.3	0.5	110.2	Q2895 N2908 H2958 G2959 L2960 R2965 S2966	Q2895-R2962 VanDerWaalsContact OE1-CD 3.29Å; N2908-R2962 PolarHBondContact OD1-NH1 2.85Å; N2908-R2962 PolarHBondContact OD1-NH2 2.96Å; H2958-R2962 WeakPolarHBondContact O-CB 3.47Å; H2958-R2962 PolarHBondContact O-N 2.97Å; G2959-R2962 WeakPolarHBondContact O-CB 3.44Å; G2959-R2962 PolarHBondContact O-N 3.27Å; L2960-R2962 PolarHBondContact O-N 3.37Å; R2962-R2965 WeakPolarHBondContact O-CB 3.19Å; R2962-R2965 PolarHBondContact O-N 3.42Å; R2962-R2965 VanDerWaalsContact O-N 3.13Å; R2962-S2966 PolarHBondContact O-N 3.45Å
2963	G	78.7	Confident	75.2	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-66.3	-40.3	178.3	0	0	0	0	0	113.8	G2959 L2960 R2965 S2966 F2967	G2959-G2963 PolarHBondContact O-N 3.48Å; L2960-G2963 PolarHBondContact O-N 2.83Å; G2963-R2965 PolarHBondContact O-N 2.87Å; G2963-S2966 PolarHBondContact O-N 2.88Å; G2963-S2966 PolarHBondContact O-OG 2.64Å; G2963-F2967 WeakPolarHBondContact O-CB 3.05Å; G2963-F2967 PolarHBondContact O-N 2.74Å
2964	T	83	Confident	77.1	Confident	56 Å²	56	64.9 Å²	64.9	34%	0.344	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-23.2	173.2	51.1	0	0	0	0	113.1	L2892 L2960 R2961 S2968	L2892-T2964 HydrophobicContact CD1-CG2 3.64Å; L2960-T2964 HydrophobicContact CD2-CG2 3.74Å; L2960-T2964 HydrophobicContact CG-CG2 4.17Å; L2960-T2964 VanDerWaalsContact O-CB 3.28Å; L2960-T2964 WeakPolarHBondContact O-CB 3.44Å; L2960-T2964 VanDerWaalsContact O-CG2 3.29Å; L2960-T2964 WeakPolarHBondContact O-CG2 3.39Å; L2960-T2964 PolarHBondContact O-N 3.36Å; L2960-T2964 PolarHBondContact O-OG1 3.36Å; R2961-T2964 WeakPolarHBondContact CA-OG1 3.5Å; T2964-S2968 WeakPolarHBondContact O-CB 3.11Å; T2964-S2968 PolarHBondContact O-N 3.49Å
2965	R	80.7	Confident	78.7	Confident	141 Å²	141	64.9 Å²	64.9	53%	0.532	33%	0.332	S	S	.	.	H	α-helix	trans	-74.4	-52.2	172.2	-77.8	168.5	169.2	160.1	-14	111.5	R2961 R2962 G2963 F2967 S2968 T2969	R2961-R2965 VanDerWaalsContact O-CD 3.24Å; R2961-R2965 WeakPolarHBondContact O-CD 3.37Å; R2961-R2965 VanDerWaalsContact O-CG 3.25Å; R2961-R2965 WeakPolarHBondContact O-CG 3.45Å; R2962-R2965 WeakPolarHBondContact O-CB 3.19Å; R2962-R2965 PolarHBondContact O-N 3.42Å; R2962-R2965 VanDerWaalsContact O-N 3.13Å; G2963-R2965 PolarHBondContact O-N 2.87Å; R2965-F2967 VanDerWaalsContact C-N 3.3Å; R2965-F2967 PolarHBondContact O-N 2.81Å; R2965-S2968 PolarHBondContact O-N 2.82Å; R2965-T2969 PolarHBondContact O-N 3.21Å; R2965-T2969 PolarHBondContact O-OG1 2.88Å
2966	S	69.7	Low	79.8	Confident	21 Å²	21	63.7 Å²	63.7	15%	0.147	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-31.5	179.2	49.9	0	0	0	0	112.6	D2891 Q2895 R2962 G2963 T2969 S2970	D2891-S2966 VanDerWaalsContact OD2-CB 3.26Å; D2891-S2966 WeakPolarHBondContact OD2-CB 3.38Å; D2891-S2966 PolarHBondContact OD2-OG 2.86Å; Q2895-S2966 PolarHBondContact NE2-OG 3.36Å; Q2895-S2966 VanDerWaalsContact NE2-OG 3.14Å; R2962-S2966 PolarHBondContact O-N 3.45Å; G2963-S2966 PolarHBondContact O-N 2.88Å; G2963-S2966 PolarHBondContact O-OG 2.64Å; S2966-T2969 PolarHBondContact O-OG1 2.9Å; S2966-S2970 WeakPolarHBondContact O-CB 3.48Å; S2966-S2970 PolarHBondContact O-N 2.87Å; S2966-S2970 PolarHBondContact O-OG 2.89Å
2967	F	82	Confident	80.5	Confident	65 Å²	65	60.7 Å²	60.7	29%	0.285	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-50.4	167	-177.8	-89.9	0	0	0	112.3	G2888 L2889 L2892 G2963 R2965 T2969 S2970 T2971 L2972	G2888-F2967 WeakPolarHBondContact O-CD2 3.29Å; L2889-F2967 HydrophobicContact CB-CE2 4.42Å; L2889-F2967 HydrophobicContact CD1-CE2 4.06Å; L2892-F2967 HydrophobicContact CB-CB 4.09Å; L2892-F2967 HydrophobicContact CB-CD2 3.77Å; L2892-F2967 HydrophobicContact CB-CG 4.19Å; L2892-F2967 HydrophobicContact CD1-CB 4.16Å; L2892-F2967 HydrophobicContact CD1-CG 4.34Å; L2892-F2967 HydrophobicContact CD2-CD1 4.36Å; L2892-F2967 HydrophobicContact CD2-CD2 3.56Å; L2892-F2967 HydrophobicContact CD2-CE1 4.49Å; L2892-F2967 HydrophobicContact CD2-CE2 3.71Å; L2892-F2967 HydrophobicContact CD2-CG 3.92Å; L2892-F2967 HydrophobicContact CD2-CZ 4.19Å; L2892-F2967 HydrophobicContact CG-CB 4.49Å; L2892-F2967 HydrophobicContact CG-CD2 4.17Å; L2892-F2967 HydrophobicContact CG-CG 4.37Å; G2963-F2967 WeakPolarHBondContact O-CB 3.05Å; G2963-F2967 PolarHBondContact O-N 2.74Å; R2965-F2967 VanDerWaalsContact C-N 3.3Å; R2965-F2967 PolarHBondContact O-N 2.81Å; F2967-T2969 VanDerWaalsContact C-N 3.3Å; F2967-T2969 PolarHBondContact O-N 2.92Å; F2967-S2970 PolarHBondContact O-N 2.9Å; F2967-T2971 HydrophobicContact CD2-CG2 4.09Å; F2967-T2971 WeakPolarHBondContact CD2-OG1 3.08Å; F2967-T2971 HydrophobicContact CE1-CG2 4.48Å; F2967-T2971 HydrophobicContact CE2-CG2 3.61Å; F2967-T2971 WeakPolarHBondContact CE2-OG1 3.39Å; F2967-T2971 WeakPolarHBondContact CG-OG1 3.34Å; F2967-T2971 HydrophobicContact CZ-CG2 3.83Å; F2967-T2971 WeakPolarHBondContact O-CA 3.48Å; F2967-T2971 WeakPolarHBondContact O-CB 3.26Å; F2967-T2971 PolarHBondContact O-N 3.24Å; F2967-T2971 PolarHBondContact O-OG1 2.85Å; F2967-L2972 PolarHBondContact O-N 2.83Å
2968	S	83.6	Confident	81.1	Confident	69 Å²	69	57.3 Å²	57.3	48%	0.483	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-28.4	-177	-173.7	0	0	0	0	113.2	T2964 R2965 L2972	T2964-S2968 WeakPolarHBondContact O-CB 3.11Å; T2964-S2968 PolarHBondContact O-N 3.49Å; R2965-S2968 PolarHBondContact O-N 2.82Å; S2968-L2972 WeakPolarHBondContact O-CB 3.46Å
2969	T	80.5	Confident	81.9	Confident	81 Å²	81	53.1 Å²	53.1	50%	0.497	27%	0.27	S	S	.	.	H	α-helix	trans	-78.6	-53	170.3	54.5	0	0	0	0	111.9	R2965 S2966 F2967 W2973	R2965-T2969 PolarHBondContact O-N 3.21Å; R2965-T2969 PolarHBondContact O-OG1 2.88Å; S2966-T2969 PolarHBondContact O-OG1 2.9Å; F2967-T2969 VanDerWaalsContact C-N 3.3Å; F2967-T2969 PolarHBondContact O-N 2.92Å; T2969-W2973 WeakPolarHBondContact O-CB 3.47Å; T2969-W2973 PolarHBondContact O-N 2.94Å
2970	S	77.7	Confident	82.5	Confident	39 Å²	39	53 Å²	53	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-86.6	-47.7	-164.3	-34.7	0	0	0	0	112.1	S2966 F2967 W2973 A2974	S2966-S2970 WeakPolarHBondContact O-CB 3.48Å; S2966-S2970 PolarHBondContact O-N 2.87Å; S2966-S2970 PolarHBondContact O-OG 2.89Å; F2967-S2970 PolarHBondContact O-N 2.9Å; S2970-W2973 PolarHBondContact O-N 2.89Å; S2970-A2974 VanDerWaalsContact O-CB 3.28Å; S2970-A2974 WeakPolarHBondContact O-CB 3.34Å; S2970-A2974 PolarHBondContact O-N 3Å
2971	T	85.8	Confident	82.6	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-39.2	178.4	-43.2	0	0	0	0	111.2	F2885 G2888 F2967 T2975	F2885-T2971 HydrophobicContact CD2-CG2 3.31Å; F2885-T2971 HydrophobicContact CE2-CG2 3.45Å; F2885-T2971 VanDerWaalsContact CE2-CG2 3.45Å; F2885-T2971 HydrophobicContact CG-CG2 3.95Å; F2885-T2971 HydrophobicContact CZ-CG2 4.18Å; G2888-T2971 WeakPolarHBondContact CA-OG1 3.27Å; F2967-T2971 HydrophobicContact CD2-CG2 4.09Å; F2967-T2971 WeakPolarHBondContact CD2-OG1 3.08Å; F2967-T2971 HydrophobicContact CE1-CG2 4.48Å; F2967-T2971 HydrophobicContact CE2-CG2 3.61Å; F2967-T2971 WeakPolarHBondContact CE2-OG1 3.39Å; F2967-T2971 WeakPolarHBondContact CG-OG1 3.34Å; F2967-T2971 HydrophobicContact CZ-CG2 3.83Å; F2967-T2971 WeakPolarHBondContact O-CA 3.48Å; F2967-T2971 WeakPolarHBondContact O-CB 3.26Å; F2967-T2971 PolarHBondContact O-N 3.24Å; F2967-T2971 PolarHBondContact O-OG1 2.85Å; T2971-T2975 VanDerWaalsContact O-CB 3.25Å; T2971-T2975 WeakPolarHBondContact O-CB 3.46Å; T2971-T2975 PolarHBondContact O-N 2.87Å; T2971-T2975 PolarHBondContact O-OG1 2.84Å
2972	L	86.2	Confident	82.8	Confident	69 Å²	69	45.7 Å²	45.7	36%	0.361	25%	0.247	S	C	.	.	H	α-helix	trans	-66.8	-47.8	177.5	-159.3	171.6	0	0	0	110.4	F2967 S2968 A2974 T2975 L2976 L3092	F2967-L2972 PolarHBondContact O-N 2.83Å; S2968-L2972 WeakPolarHBondContact O-CB 3.46Å; L2972-A2974 PolarHBondContact O-N 3.35Å; L2972-T2975 PolarHBondContact O-N 2.85Å; L2972-L2976 HydrophobicContact CD2-CD1 4.27Å; L2972-L2976 VanDerWaalsContact O-CB 3.25Å; L2972-L2976 WeakPolarHBondContact O-CB 3.4Å; L2972-L2976 PolarHBondContact O-N 3.43Å; L2972-L3092 HydrophobicContact CD2-CD1 3.55Å
2973	W	82.7	Confident	83.3	Confident	29 Å²	29	42.5 Å²	42.5	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-53.1	-54.1	173.7	173.4	-92.5	0	0	0	111.7	T2969 S2970 T2975 L2976 Q2977 R3089 R3093 A3096	T2969-W2973 WeakPolarHBondContact O-CB 3.47Å; T2969-W2973 PolarHBondContact O-N 2.94Å; S2970-W2973 PolarHBondContact O-N 2.89Å; W2973-T2975 PolarHBondContact O-N 2.87Å; W2973-L2976 PolarHBondContact O-N 3.32Å; W2973-Q2977 WeakPolarHBondContact O-CB 3.33Å; W2973-Q2977 PolarHBondContact O-N 2.86Å; W2973-R3089 HydrophobicContact CE3-CG 4.27Å; W2973-R3089 HydrophobicContact CH2-CG 3.49Å; W2973-R3089 VanDerWaalsContact CH2-CG 3.49Å; W2973-R3089 HydrophobicContact CZ2-CG 4.44Å; W2973-R3089 HydrophobicContact CZ3-CG 3.38Å; W2973-R3093 HydrophobicContact CE3-CB 4.07Å; W2973-R3093 HydrophobicContact CZ3-CB 3.73Å; W2973-A3096 HydrophobicContact CH2-CB 3.41Å; W2973-A3096 VanDerWaalsContact CH2-CB 3.41Å; W2973-A3096 HydrophobicContact CZ2-CB 4.31Å; W2973-A3096 HydrophobicContact CZ3-CB 4.01Å
2974	A	84.7	Confident	83.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-44.7	-179.9	0	0	0	0	0	112.6	E2881 Q2884 F2885 S2970 L2972 L2976 Q2977 L2978	E2881-A2974 HydrophobicContact CB-CB 4.38Å; E2881-A2974 VanDerWaalsContact O-CB 3.31Å; E2881-A2974 WeakPolarHBondContact O-CB 3.09Å; Q2884-A2974 HydrophobicContact CB-CB 3.93Å; F2885-A2974 HydrophobicContact CB-CB 4.03Å; S2970-A2974 VanDerWaalsContact O-CB 3.28Å; S2970-A2974 WeakPolarHBondContact O-CB 3.34Å; S2970-A2974 PolarHBondContact O-N 3Å; L2972-A2974 PolarHBondContact O-N 3.35Å; A2974-L2976 VanDerWaalsContact C-N 3.32Å; A2974-L2976 PolarHBondContact O-N 3.01Å; A2974-Q2977 PolarHBondContact O-N 2.86Å; A2974-L2978 VanDerWaalsContact O-CB 3.25Å; A2974-L2978 WeakPolarHBondContact O-CB 3.24Å; A2974-L2978 VanDerWaalsContact O-CG 3.25Å; A2974-L2978 WeakPolarHBondContact O-CG 3.39Å; A2974-L2978 PolarHBondContact O-N 2.9Å
2975	T	88.3	Confident	83.5	Confident	67 Å²	67	48.2 Å²	48.2	41%	0.411	26%	0.263	S	S	.	.	H	α-helix	trans	-61	-42.6	176.9	-56.9	0	0	0	0	111.3	F2885 T2971 L2972 W2973 S2979	F2885-T2975 WeakPolarHBondContact CD2-OG1 3.33Å; T2971-T2975 VanDerWaalsContact O-CB 3.25Å; T2971-T2975 WeakPolarHBondContact O-CB 3.46Å; T2971-T2975 PolarHBondContact O-N 2.87Å; T2971-T2975 PolarHBondContact O-OG1 2.84Å; L2972-T2975 PolarHBondContact O-N 2.85Å; W2973-T2975 PolarHBondContact O-N 2.87Å; T2975-S2979 WeakPolarHBondContact O-CB 3.3Å; T2975-S2979 PolarHBondContact O-N 3.27Å; T2975-S2979 PolarHBondContact O-OG 2.89Å
2976	L	86.9	Confident	83.7	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-46.8	-179.5	-160.5	178.8	0	0	0	110.3	L2972 W2973 A2974 L2978 S2979 I2980 L3085 L3088 R3089 L3092	L2972-L2976 HydrophobicContact CD2-CD1 4.27Å; L2972-L2976 VanDerWaalsContact O-CB 3.25Å; L2972-L2976 WeakPolarHBondContact O-CB 3.4Å; L2972-L2976 PolarHBondContact O-N 3.43Å; W2973-L2976 PolarHBondContact O-N 3.32Å; A2974-L2976 VanDerWaalsContact C-N 3.32Å; A2974-L2976 PolarHBondContact O-N 3.01Å; L2976-L2978 PolarHBondContact O-N 2.88Å; L2976-S2979 WeakPolarHBondContact CA-OG 3.48Å; L2976-S2979 PolarHBondContact O-N 3.09Å; L2976-S2979 VanDerWaalsContact O-N 3.12Å; L2976-S2979 PolarHBondContact O-OG 3Å; L2976-I2980 HydrophobicContact CD2-CD1 3.4Å; L2976-I2980 VanDerWaalsContact CD2-CD1 3.4Å; L2976-I2980 HydrophobicContact CD2-CG1 3.94Å; L2976-I2980 WeakPolarHBondContact O-CG1 3.35Å; L2976-I2980 PolarHBondContact O-N 2.93Å; L2976-L3085 HydrophobicContact CD2-CB 4.06Å; L2976-L3085 HydrophobicContact CD2-CD2 4.23Å; L2976-L3085 HydrophobicContact CG-CD2 4.35Å; L2976-L3088 HydrophobicContact CD1-CB 4.2Å; L2976-L3088 HydrophobicContact CD1-CD2 3.8Å; L2976-L3088 HydrophobicContact CD1-CG 3.71Å; L2976-L3088 HydrophobicContact CG-CD2 4.38Å; L2976-R3089 HydrophobicContact CD1-CB 4.31Å; L2976-R3089 HydrophobicContact CD2-CB 3.87Å; L2976-L3092 HydrophobicContact CD1-CD1 3.39Å
2977	Q	84.2	Confident	84.4	Confident	30 Å²	30	44.7 Å²	44.7	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-41.4	177.2	-174.6	68.1	-15.7	0	0	111.7	E2881 W2973 A2974 I2980 Q2981 R3089	E2881-Q2977 HydrophobicContact CG-CB 4.29Å; E2881-Q2977 HydrophobicContact CG-CG 3.82Å; E2881-Q2977 WeakPolarHBondContact OE1-CG 3.44Å; W2973-Q2977 WeakPolarHBondContact O-CB 3.33Å; W2973-Q2977 PolarHBondContact O-N 2.86Å; A2974-Q2977 PolarHBondContact O-N 2.86Å; Q2977-I2980 PolarHBondContact O-N 2.7Å; Q2977-Q2981 WeakPolarHBondContact O-CG 3.42Å; Q2977-Q2981 PolarHBondContact O-N 3.06Å; Q2977-R3089 VanDerWaalsContact OE1-NE 3.09Å
2978	L	86	Confident	84.3	Confident	47 Å²	47	43.7 Å²	43.7	25%	0.246	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-41.1	169.8	-77	167.1	0	0	0	112.3	P2878 E2881 V2882 A2974 L2976 Q2981 G2982	P2878-L2978 HydrophobicContact CB-CD2 4.47Å; E2881-L2978 HydrophobicContact CB-CD1 4.05Å; E2881-L2978 HydrophobicContact CB-CD2 3.86Å; E2881-L2978 HydrophobicContact CB-CG 3.59Å; E2881-L2978 HydrophobicContact CG-CG 4.42Å; V2882-L2978 HydrophobicContact CG2-CD1 4.08Å; V2882-L2978 HydrophobicContact CG2-CD2 4.19Å; A2974-L2978 VanDerWaalsContact O-CB 3.25Å; A2974-L2978 WeakPolarHBondContact O-CB 3.24Å; A2974-L2978 VanDerWaalsContact O-CG 3.25Å; A2974-L2978 WeakPolarHBondContact O-CG 3.39Å; A2974-L2978 PolarHBondContact O-N 2.9Å; L2976-L2978 PolarHBondContact O-N 2.88Å; L2978-Q2981 PolarHBondContact O-N 2.95Å; L2978-G2982 PolarHBondContact O-N 2.91Å
2979	S	88.9	Confident	84.3	Confident	41 Å²	41	45.7 Å²	45.7	29%	0.287	26%	0.261	S	S	.	.	H	α-helix	trans	-65	-39.5	176.9	73.4	0	0	0	0	112.1	T2975 L2976 G2982 I2983 L3085	T2975-S2979 WeakPolarHBondContact O-CB 3.3Å; T2975-S2979 PolarHBondContact O-N 3.27Å; T2975-S2979 PolarHBondContact O-OG 2.89Å; L2976-S2979 WeakPolarHBondContact CA-OG 3.48Å; L2976-S2979 PolarHBondContact O-N 3.09Å; L2976-S2979 VanDerWaalsContact O-N 3.12Å; L2976-S2979 PolarHBondContact O-OG 3Å; S2979-G2982 PolarHBondContact O-N 2.89Å; S2979-I2983 WeakPolarHBondContact O-CB 3.48Å; S2979-I2983 WeakPolarHBondContact O-CD1 3.43Å; S2979-I2983 WeakPolarHBondContact O-CG1 3.19Å; S2979-I2983 PolarHBondContact O-N 2.92Å; S2979-L3085 WeakPolarHBondContact OG-CD1 3.4Å
2980	I	85.4	Confident	84.4	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-43.9	173.2	-68.8	169.4	0	0	0	110.9	L2976 Q2977 R2984 L3085 R3089	L2976-I2980 HydrophobicContact CD2-CD1 3.4Å; L2976-I2980 VanDerWaalsContact CD2-CD1 3.4Å; L2976-I2980 HydrophobicContact CD2-CG1 3.94Å; L2976-I2980 WeakPolarHBondContact O-CG1 3.35Å; L2976-I2980 PolarHBondContact O-N 2.93Å; Q2977-I2980 PolarHBondContact O-N 2.7Å; I2980-R2984 VanDerWaalsContact CG2-CZ 3.47Å; I2980-R2984 WeakPolarHBondContact O-CB 3.48Å; I2980-R2984 VanDerWaalsContact O-CG 3.26Å; I2980-R2984 WeakPolarHBondContact O-CG 3.31Å; I2980-R2984 PolarHBondContact O-N 2.9Å; I2980-L3085 HydrophobicContact CD1-CB 3.97Å; I2980-L3085 HydrophobicContact CG1-CB 3.61Å; I2980-L3085 HydrophobicContact CG1-CD1 4.2Å; I2980-R3089 HydrophobicContact CD1-CB 4.17Å
2981	Q	83.4	Confident	84.4	Confident	52 Å²	52	40.8 Å²	40.8	24%	0.243	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-46.8	176.3	-72.4	178.8	17	0	0	111.3	Q2977 L2978 R2984 A2985	Q2977-Q2981 WeakPolarHBondContact O-CG 3.42Å; Q2977-Q2981 PolarHBondContact O-N 3.06Å; L2978-Q2981 PolarHBondContact O-N 2.95Å; Q2981-R2984 PolarHBondContact O-N 3.25Å; Q2981-A2985 WeakPolarHBondContact O-CB 3.37Å; Q2981-A2985 PolarHBondContact O-N 3.31Å
2982	G	85.3	Confident	84.1	Confident	36 Å²	36	43.6 Å²	43.6	37%	0.371	25%	0.248	S	C	.	.	H	α-helix	trans	-62.5	-44.4	178.4	0	0	0	0	0	113	L2978 S2979 R2984 A2985 V2986	L2978-G2982 PolarHBondContact O-N 2.91Å; S2979-G2982 PolarHBondContact O-N 2.89Å; G2982-R2984 VanDerWaalsContact C-N 3.34Å; G2982-R2984 PolarHBondContact O-N 3Å; G2982-A2985 WeakPolarHBondContact O-CB 3.19Å; G2982-A2985 PolarHBondContact O-N 3.17Å; G2982-V2986 WeakPolarHBondContact O-CG2 3.38Å; G2982-V2986 PolarHBondContact O-N 2.99Å
2983	I	86.2	Confident	83.9	Confident	35 Å²	35	42.4 Å²	42.4	18%	0.179	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-39.4	175.9	-70.2	161.5	0	0	0	111.1	S2979 V2986 Q2987 C3078 T3081 A3082 L3085	S2979-I2983 WeakPolarHBondContact O-CB 3.48Å; S2979-I2983 WeakPolarHBondContact O-CD1 3.43Å; S2979-I2983 WeakPolarHBondContact O-CG1 3.19Å; S2979-I2983 PolarHBondContact O-N 2.92Å; I2983-V2986 PolarHBondContact O-N 3.22Å; I2983-Q2987 WeakPolarHBondContact O-CB 3.48Å; I2983-Q2987 PolarHBondContact O-N 3.09Å; I2983-C3078 HydrophobicContact CG2-CB 3.79Å; I2983-C3078 WeakPolarHBondContact CG2-O 3.37Å; I2983-T3081 HydrophobicContact CD1-CG2 3.6Å; I2983-A3082 HydrophobicContact CG2-CB 4.19Å; I2983-L3085 HydrophobicContact CD1-CD1 3.4Å
2984	R	82.8	Confident	83.5	Confident	126 Å²	126	41.4 Å²	41.4	48%	0.475	24%	0.244	S	C	.	.	H	α-helix	trans	-68	-33.9	173.9	-73.7	172.2	177.8	168.1	-0.8	112.7	I2980 Q2981 G2982 Q2987 S2988	I2980-R2984 VanDerWaalsContact CG2-CZ 3.47Å; I2980-R2984 WeakPolarHBondContact O-CB 3.48Å; I2980-R2984 VanDerWaalsContact O-CG 3.26Å; I2980-R2984 WeakPolarHBondContact O-CG 3.31Å; I2980-R2984 PolarHBondContact O-N 2.9Å; Q2981-R2984 PolarHBondContact O-N 3.25Å; G2982-R2984 VanDerWaalsContact C-N 3.34Å; G2982-R2984 PolarHBondContact O-N 3Å; R2984-Q2987 PolarHBondContact O-N 2.83Å; R2984-S2988 WeakPolarHBondContact O-CB 3.41Å; R2984-S2988 PolarHBondContact O-N 3.43Å
2985	A	82.4	Confident	83.1	Confident	50 Å²	50	44 Å²	44	41%	0.413	26%	0.258	S	S	.	.	H	α-helix	trans	-66.1	-47.5	172.9	0	0	0	0	0	110.9	Q2981 G2982 Q2987 S2988 I2989	Q2981-A2985 WeakPolarHBondContact O-CB 3.37Å; Q2981-A2985 PolarHBondContact O-N 3.31Å; G2982-A2985 WeakPolarHBondContact O-CB 3.19Å; G2982-A2985 PolarHBondContact O-N 3.17Å; A2985-Q2987 VanDerWaalsContact C-N 3.34Å; A2985-Q2987 PolarHBondContact O-N 3.49Å; A2985-S2988 PolarHBondContact O-N 3.04Å; A2985-I2989 VanDerWaalsContact O-CG1 3.28Å; A2985-I2989 WeakPolarHBondContact O-CG1 3.34Å; A2985-I2989 PolarHBondContact O-N 3.41Å
2986	V	84.8	Confident	82.7	Confident	76 Å²	76	48 Å²	48	46%	0.461	28%	0.276	S	S	.	.	H	α-helix	trans	-59.1	-43.4	173.1	172.6	0	0	0	0	111.1	G2982 I2983 S2988 I2989 A2990	G2982-V2986 WeakPolarHBondContact O-CG2 3.38Å; G2982-V2986 PolarHBondContact O-N 2.99Å; I2983-V2986 PolarHBondContact O-N 3.22Å; V2986-S2988 PolarHBondContact O-N 3.34Å; V2986-I2989 PolarHBondContact O-N 2.99Å; V2986-A2990 VanDerWaalsContact O-CB 3.32Å; V2986-A2990 WeakPolarHBondContact O-CB 3.37Å; V2986-A2990 PolarHBondContact O-N 2.73Å
2987	Q	85.3	Confident	82	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.056	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-43.2	175.1	-168.7	-175.4	-10.1	0	0	111.8	I2983 R2984 A2985 A2990 E2991 R3007 V3075 C3078	I2983-Q2987 WeakPolarHBondContact O-CB 3.48Å; I2983-Q2987 PolarHBondContact O-N 3.09Å; R2984-Q2987 PolarHBondContact O-N 2.83Å; A2985-Q2987 VanDerWaalsContact C-N 3.34Å; A2985-Q2987 PolarHBondContact O-N 3.49Å; Q2987-A2990 PolarHBondContact O-N 3.31Å; Q2987-E2991 PolarHBondContact NE2-OE1 3.1Å; Q2987-E2991 WeakPolarHBondContact O-CB 3.46Å; Q2987-E2991 WeakPolarHBondContact O-CG 3.4Å; Q2987-E2991 PolarHBondContact O-N 2.65Å; Q2987-R3007 VanDerWaalsContact NE2-NH2 3.11Å; Q2987-V3075 HydrophobicContact CG-CG1 4.03Å; Q2987-C3078 HydrophobicContact CB-CB 3.96Å; Q2987-C3078 HydrophobicContact CG-CB 4.28Å
2988	S	78.7	Confident	81.2	Confident	44 Å²	44	51.3 Å²	51.3	31%	0.308	30%	0.298	S	S	.	.	H	α-helix	trans	-70.4	-31.2	178.1	-165.6	0	0	0	0	112.8	R2984 A2985 V2986 T2992	R2984-S2988 WeakPolarHBondContact O-CB 3.41Å; R2984-S2988 PolarHBondContact O-N 3.43Å; A2985-S2988 PolarHBondContact O-N 3.04Å; V2986-S2988 PolarHBondContact O-N 3.34Å; S2988-T2992 WeakPolarHBondContact O-CB 3.49Å; S2988-T2992 WeakPolarHBondContact O-CG2 3.47Å; S2988-T2992 PolarHBondContact O-N 2.89Å; S2988-T2992 PolarHBondContact O-OG1 2.93Å
2989	I	83.6	Confident	79.9	Confident	112 Å²	112	55.3 Å²	55.3	57%	0.574	33%	0.327	S	S	*	.	H	α-helix	trans	-70.4	-42.6	172.6	-69.2	163.7	0	0	0	110	A2985 V2986 T2992 A2993	A2985-I2989 VanDerWaalsContact O-CG1 3.28Å; A2985-I2989 WeakPolarHBondContact O-CG1 3.34Å; A2985-I2989 PolarHBondContact O-N 3.41Å; V2986-I2989 PolarHBondContact O-N 2.99Å; I2989-T2992 WeakPolarHBondContact CA-OG1 3.13Å; I2989-T2992 PolarHBondContact O-N 3Å; I2989-T2992 PolarHBondContact O-OG1 3.27Å; I2989-A2993 WeakPolarHBondContact O-CB 3.41Å; I2989-A2993 PolarHBondContact O-N 3.17Å
2990	A	82.3	Confident	78.7	Confident	14 Å²	14	55.3 Å²	55.3	12%	0.116	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-45.4	175.8	0	0	0	0	0	111.9	V2986 Q2987 A2993 Y2994 V3071 V3075	V2986-A2990 VanDerWaalsContact O-CB 3.32Å; V2986-A2990 WeakPolarHBondContact O-CB 3.37Å; V2986-A2990 PolarHBondContact O-N 2.73Å; Q2987-A2990 PolarHBondContact O-N 3.31Å; A2990-A2993 PolarHBondContact O-N 3.47Å; A2990-Y2994 WeakPolarHBondContact O-CB 3.22Å; A2990-Y2994 PolarHBondContact O-N 3.36Å; A2990-V3071 HydrophobicContact CB-CG1 4.03Å; A2990-V3071 WeakPolarHBondContact O-CG1 3.43Å; A2990-V3075 HydrophobicContact CB-CG2 3.75Å
2991	E	78.5	Confident	77.6	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.009	36%	0.357	C	S	.	.	H	α-helix	trans	-65.8	-42.8	176	-74.3	170.9	-172.1	0	0	112.5	Q2987 Y2994 D2995 L3003 R3007 V3075	Q2987-E2991 PolarHBondContact NE2-OE1 3.1Å; Q2987-E2991 WeakPolarHBondContact O-CB 3.46Å; Q2987-E2991 WeakPolarHBondContact O-CG 3.4Å; Q2987-E2991 PolarHBondContact O-N 2.65Å; E2991-Y2994 WeakPolarHBondContact O-CB 3.48Å; E2991-Y2994 PolarHBondContact O-N 2.92Å; E2991-D2995 WeakPolarHBondContact O-CB 3.28Å; E2991-D2995 PolarHBondContact O-N 3.16Å; E2991-L3003 HydrophobicContact CG-CB 4.3Å; E2991-R3007 IonicContact OE1-CZ 2.74Å; E2991-R3007 IonicContact OE1-NE 2.8Å; E2991-R3007 PolarHBondContact OE1-NE 2.75Å; E2991-R3007 IonicContact OE1-NH2 3.2Å; E2991-R3007 PolarHBondContact OE1-NH2 2.76Å; E2991-R3007 IonicContact OE2-CZ 2.84Å; E2991-R3007 IonicContact OE2-NE 3.38Å; E2991-R3007 PolarHBondContact OE2-NE 3.42Å; E2991-R3007 IonicContact OE2-NH1 2.69Å; E2991-R3007 IonicContact OE2-NH2 3.46Å; E2991-R3007 PolarHBondContact OE2-NH2 3.38Å; E2991-V3075 HydrophobicContact CG-CG1 4.07Å; E2991-V3075 HydrophobicContact CG-CG2 3.95Å
2992	T	80.5	Confident	76.5	Confident	63 Å²	63	57.9 Å²	57.9	39%	0.387	36%	0.358	S	S	.	.	H	α-helix	trans	-69.5	-35.4	176.5	48.9	0	0	0	0	112.5	S2988 I2989 L2996	S2988-T2992 WeakPolarHBondContact O-CB 3.49Å; S2988-T2992 WeakPolarHBondContact O-CG2 3.47Å; S2988-T2992 PolarHBondContact O-N 2.89Å; S2988-T2992 PolarHBondContact O-OG1 2.93Å; I2989-T2992 WeakPolarHBondContact CA-OG1 3.13Å; I2989-T2992 PolarHBondContact O-N 3Å; I2989-T2992 PolarHBondContact O-OG1 3.27Å; T2992-L2996 WeakPolarHBondContact O-CB 3.29Å; T2992-L2996 WeakPolarHBondContact O-CD1 3.24Å; T2992-L2996 WeakPolarHBondContact O-CG 3.49Å; T2992-L2996 PolarHBondContact O-N 2.78Å
2993	A	80.4	Confident	75.3	Confident	43 Å²	43	56.8 Å²	56.8	36%	0.355	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-43.1	170.3	0	0	0	0	0	111.3	I2989 A2990 L2996 V2997	I2989-A2993 WeakPolarHBondContact O-CB 3.41Å; I2989-A2993 PolarHBondContact O-N 3.17Å; A2990-A2993 PolarHBondContact O-N 3.47Å; A2993-L2996 PolarHBondContact O-N 3.35Å; A2993-V2997 WeakPolarHBondContact O-CG1 3.46Å; A2993-V2997 WeakPolarHBondContact O-CG2 3.48Å; A2993-V2997 PolarHBondContact O-N 2.84Å
2994	Y	75.3	Confident	74.1	Confident	9 Å²	9	61.5 Å²	61.5	4%	0.035	36%	0.359	C	S	.	.	H	α-helix	trans	-60.6	-50.7	174.7	174.7	-91.2	0	0	0	112.5	A2990 E2991 L2996 V2997 T2998 L3003 P3068 V3071	A2990-Y2994 WeakPolarHBondContact O-CB 3.22Å; A2990-Y2994 PolarHBondContact O-N 3.36Å; E2991-Y2994 WeakPolarHBondContact O-CB 3.48Å; E2991-Y2994 PolarHBondContact O-N 2.92Å; Y2994-L2996 PolarHBondContact O-N 3.28Å; Y2994-V2997 PolarHBondContact O-N 2.84Å; Y2994-T2998 WeakPolarHBondContact CD2-OG1 3.39Å; Y2994-T2998 HydrophobicContact CE1-CG2 4.5Å; Y2994-T2998 HydrophobicContact CE2-CG2 4Å; Y2994-T2998 VanDerWaalsContact CE2-OG1 3.27Å; Y2994-T2998 WeakPolarHBondContact CE2-OG1 3.5Å; Y2994-T2998 VanDerWaalsContact O-CB 3.28Å; Y2994-T2998 WeakPolarHBondContact O-CB 3.36Å; Y2994-T2998 PolarHBondContact O-N 3.47Å; Y2994-T2998 PolarHBondContact O-OG1 3.41Å; Y2994-T2998 VanDerWaalsContact O-OG1 3.04Å; Y2994-L3003 HydrophobicContact CD1-CB 4.07Å; Y2994-L3003 HydrophobicContact CD1-CD1 3.62Å; Y2994-L3003 HydrophobicContact CD1-CG 3.55Å; Y2994-L3003 HydrophobicContact CD2-CD1 3.95Å; Y2994-L3003 HydrophobicContact CE1-CB 4.31Å; Y2994-L3003 HydrophobicContact CE1-CD1 4.04Å; Y2994-L3003 HydrophobicContact CE1-CG 3.58Å; Y2994-L3003 HydrophobicContact CE2-CD1 4.32Å; Y2994-L3003 HydrophobicContact CG-CD1 3.56Å; Y2994-L3003 HydrophobicContact CG-CG 4.05Å; Y2994-P3068 HydrophobicContact CE2-CB 3.91Å; Y2994-P3068 HydrophobicContact CE2-CG 3.76Å; Y2994-V3071 HydrophobicContact CD2-CB 4.38Å
2995	D	76.8	Confident	72.7	Confident	54 Å²	54	59.9 Å²	59.9	29%	0.289	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-22.7	-179.4	-66.9	-14.4	0	0	0	111.7	E2991 A3002 L3003	E2991-D2995 WeakPolarHBondContact O-CB 3.28Å; E2991-D2995 PolarHBondContact O-N 3.16Å; D2995-A3002 WeakPolarHBondContact OD1-CA 3.36Å; D2995-A3002 VanDerWaalsContact OD1-CB 3.29Å; D2995-A3002 WeakPolarHBondContact OD1-CB 2.95Å; D2995-L3003 PolarHBondContact OD1-N 2.86Å; D2995-L3003 VanDerWaalsContact OD1-N 3.1Å
2996	L	78.8	Confident	71.3	Confident	151 Å²	151	61.8 Å²	61.8	79%	0.791	36%	0.363	S	S	*	.	H	α-helix	trans	-83.4	-37.5	173.7	-76.8	169	0	0	0	114	T2992 A2993 Y2994	T2992-L2996 WeakPolarHBondContact O-CB 3.29Å; T2992-L2996 WeakPolarHBondContact O-CD1 3.24Å; T2992-L2996 WeakPolarHBondContact O-CG 3.49Å; T2992-L2996 PolarHBondContact O-N 2.78Å; A2993-L2996 PolarHBondContact O-N 3.35Å; Y2994-L2996 PolarHBondContact O-N 3.28Å
2997	V	72.2	Confident	69.9	Low	90 Å²	90	62 Å²	62	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-91.3	-16.5	-177.9	-56.7	0	0	0	0	113.7	A2993 Y2994 P3067	A2993-V2997 WeakPolarHBondContact O-CG1 3.46Å; A2993-V2997 WeakPolarHBondContact O-CG2 3.48Å; A2993-V2997 PolarHBondContact O-N 2.84Å; Y2994-V2997 PolarHBondContact O-N 2.84Å; V2997-P3067 HydrophobicContact CG2-CB 3.56Å; V2997-P3067 HydrophobicContact CG2-CG 4.17Å
2998	T	67.6	Low	68.1	Low	18 Å²	18	67.4 Å²	67.4	11%	0.11	39%	0.385	C	S	.	.			trans	-117.5	105.5	-174.6	-40.9	0	0	0	0	110.8	Y2994 G3000 P3068	Y2994-T2998 WeakPolarHBondContact CD2-OG1 3.39Å; Y2994-T2998 HydrophobicContact CE1-CG2 4.5Å; Y2994-T2998 HydrophobicContact CE2-CG2 4Å; Y2994-T2998 VanDerWaalsContact CE2-OG1 3.27Å; Y2994-T2998 WeakPolarHBondContact CE2-OG1 3.5Å; Y2994-T2998 VanDerWaalsContact O-CB 3.28Å; Y2994-T2998 WeakPolarHBondContact O-CB 3.36Å; Y2994-T2998 PolarHBondContact O-N 3.47Å; Y2994-T2998 PolarHBondContact O-OG1 3.41Å; Y2994-T2998 VanDerWaalsContact O-OG1 3.04Å; T2998-G3000 PolarHBondContact O-N 2.92Å; T2998-P3068 HydrophobicContact CG2-CG 4.2Å
2999	P	59.2	Low	66.7	Low	130 Å²	130	73.8 Å²	73.8	84%	0.844	40%	0.403	S	S	*	.			trans	-74.3	75.6	172	31.3	-34.4	0	0	0	110.2
3000	G	63	Low	65.3	Low	42 Å²	42	71 Å²	71	43%	0.433	39%	0.389	S	S	.	.	S	Bend	trans	-149.9	-174.3	-176	0	0	0	0	0	112.4	T2998 A3002	T2998-G3000 PolarHBondContact O-N 2.92Å; G3000-A3002 PolarHBondContact O-N 3.48Å; G3000-A3002 VanDerWaalsContact O-N 3.14Å
3001	P	63.3	Low	64.4	Low	76 Å²	76	75.9 Å²	75.9	49%	0.494	41%	0.405	S	S	.	.	S	Bend	trans	-65.5	113.9	176.3	27.5	-33.4	0	0	0	110.1	L3003	P3001-L3003 PolarHBondContact O-N 3.35Å
3002	A	60.5	Low	64.1	Low	33 Å²	33	77.7 Å²	77.7	27%	0.273	41%	0.413	S	S	.	.			trans	-49.8	135.6	-176.5	0	0	0	0	0	112.4	D2995 G3000 R3004 S3005	D2995-A3002 WeakPolarHBondContact OD1-CA 3.36Å; D2995-A3002 VanDerWaalsContact OD1-CB 3.29Å; D2995-A3002 WeakPolarHBondContact OD1-CB 2.95Å; G3000-A3002 PolarHBondContact O-N 3.48Å; G3000-A3002 VanDerWaalsContact O-N 3.14Å; A3002-R3004 HydrophobicContact CB-CB 4.47Å; A3002-R3004 PolarHBondContact O-N 3.24Å; A3002-R3004 VanDerWaalsContact O-N 3.07Å; A3002-S3005 PolarHBondContact O-N 2.93Å; A3002-S3005 PolarHBondContact O-OG 2.8Å
3003	L	60.3	Low	64	Low	13 Å²	13	74.9 Å²	74.9	7%	0.068	40%	0.396	C	S	.	.	H	α-helix	trans	-58.1	-31	179	-83.2	173	0	0	0	111.3	E2991 Y2994 D2995 P3001 S3005 R3006 T3072 V3075	E2991-L3003 HydrophobicContact CG-CB 4.3Å; Y2994-L3003 HydrophobicContact CD1-CB 4.07Å; Y2994-L3003 HydrophobicContact CD1-CD1 3.62Å; Y2994-L3003 HydrophobicContact CD1-CG 3.55Å; Y2994-L3003 HydrophobicContact CD2-CD1 3.95Å; Y2994-L3003 HydrophobicContact CE1-CB 4.31Å; Y2994-L3003 HydrophobicContact CE1-CD1 4.04Å; Y2994-L3003 HydrophobicContact CE1-CG 3.58Å; Y2994-L3003 HydrophobicContact CE2-CD1 4.32Å; Y2994-L3003 HydrophobicContact CG-CD1 3.56Å; Y2994-L3003 HydrophobicContact CG-CG 4.05Å; D2995-L3003 PolarHBondContact OD1-N 2.86Å; D2995-L3003 VanDerWaalsContact OD1-N 3.1Å; P3001-L3003 PolarHBondContact O-N 3.35Å; L3003-S3005 PolarHBondContact O-N 3.28Å; L3003-R3006 PolarHBondContact O-N 3.43Å; L3003-T3072 HydrophobicContact CD1-CG2 4.12Å; L3003-T3072 HydrophobicContact CD2-CG2 4Å; L3003-V3075 HydrophobicContact CD1-CG2 4.37Å
3004	R	59.1	Low	63.7	Low	134 Å²	134	74.1 Å²	74.1	51%	0.506	39%	0.39	S	S	.	.	H	α-helix	trans	-55	-29.5	174.1	-157.1	179.1	-169.4	91.7	-6.2	114	A3002	A3002-R3004 HydrophobicContact CB-CB 4.47Å; A3002-R3004 PolarHBondContact O-N 3.24Å; A3002-R3004 VanDerWaalsContact O-N 3.07Å
3005	S	53.9	Low	64	Low	92 Å²	92	77.2 Å²	77.2	64%	0.643	41%	0.407	S	S	*	.	H	α-helix	trans	-88.3	-16.2	178	75.6	0	0	0	0	114.1	A3002 L3003 R3007	A3002-S3005 PolarHBondContact O-N 2.93Å; A3002-S3005 PolarHBondContact O-OG 2.8Å; L3003-S3005 PolarHBondContact O-N 3.28Å; S3005-R3007 VanDerWaalsContact C-N 3.31Å
3006	R	52.8	Low	64.4	Low	89 Å²	89	77.3 Å²	77.3	34%	0.336	41%	0.407	S	S	.	.	H	α-helix	trans	-83	-6.4	173.4	-71.3	-178.4	171.1	-179	-3.4	112.8	L3003 L3008 M3033 D3037	L3003-R3006 PolarHBondContact O-N 3.43Å; R3006-L3008 PolarHBondContact O-N 3.39Å; R3006-M3033 HydrophobicContact CB-CE 4.38Å; R3006-D3037 IonicContact CZ-OD1 3.95Å; R3006-D3037 IonicContact CZ-OD2 3.87Å; R3006-D3037 VanDerWaalsContact NH1-CG 3.33Å; R3006-D3037 IonicContact NH1-OD1 2.75Å; R3006-D3037 PolarHBondContact NH1-OD1 3.3Å; R3006-D3037 IonicContact NH1-OD2 3.95Å; R3006-D3037 PolarHBondContact NH1-OD2 3.46Å; R3006-D3037 IonicContact NH2-OD1 2.94Å; R3006-D3037 PolarHBondContact NH2-OD1 2.92Å
3007	R	54.9	Low	64.9	Low	80 Å²	80	78.4 Å²	78.4	30%	0.302	40%	0.4	S	S	.	.			trans	-69	105.4	177.6	-74.4	178.2	164.7	-162	-1.7	112.7	Q2987 E2991 S3005	Q2987-R3007 VanDerWaalsContact NE2-NH2 3.11Å; E2991-R3007 IonicContact OE1-CZ 2.74Å; E2991-R3007 IonicContact OE1-NE 2.8Å; E2991-R3007 PolarHBondContact OE1-NE 2.75Å; E2991-R3007 IonicContact OE1-NH2 3.2Å; E2991-R3007 PolarHBondContact OE1-NH2 2.76Å; E2991-R3007 IonicContact OE2-CZ 2.84Å; E2991-R3007 IonicContact OE2-NE 3.38Å; E2991-R3007 PolarHBondContact OE2-NE 3.42Å; E2991-R3007 IonicContact OE2-NH1 2.69Å; E2991-R3007 IonicContact OE2-NH2 3.46Å; E2991-R3007 PolarHBondContact OE2-NH2 3.38Å; S3005-R3007 VanDerWaalsContact C-N 3.31Å
3008	L	47.9	Very low	65.6	Low	127 Å²	127	77 Å²	77	67%	0.665	39%	0.388	S	S	*	.			trans	-75.5	118.4	154.7	-73.9	171.7	0	0	0	108.7	R3006 L3010	R3006-L3008 PolarHBondContact O-N 3.39Å; L3008-L3010 PolarHBondContact O-N 2.8Å
3009	Y	50.7	Low	66.4	Low	177 Å²	177	76.2 Å²	76.2	69%	0.694	38%	0.383	S	S	*	.			trans	-62.4	98.4	177.5	-68.4	-86	0	0	0	111
3010	L	52.7	Low	67.9	Low	54 Å²	54	76.1 Å²	76.1	28%	0.283	37%	0.369	S	S	.	.			trans	-68.5	139.6	174	-76	175.6	0	0	0	111.1	L3008 Q3012 V3026	L3008-L3010 PolarHBondContact O-N 2.8Å; L3010-Q3012 PolarHBondContact O-N 2.78Å; L3010-V3026 HydrophobicContact CD1-CG2 3.23Å
3011	R	64.4	Low	69.2	Low	117 Å²	117	75.5 Å²	75.5	44%	0.442	36%	0.363	S	S	.	.			trans	-57.8	135.2	175.8	-173.6	-173.1	-176.4	127.5	8.3	109.9	P3013 N3022 E3101	R3011-P3013 VanDerWaalsContact O-CD 3.31Å; R3011-P3013 WeakPolarHBondContact O-CD 3.41Å; R3011-P3013 VanDerWaalsContact O-N 3.14Å; R3011-N3022 PolarHBondContact O-ND2 2.86Å; R3011-E3101 IonicContact CZ-OE1 3.17Å; R3011-E3101 IonicContact NH2-OE1 2.74Å; R3011-E3101 PolarHBondContact NH2-OE1 2.81Å
3012	Q	72.1	Confident	70.2	Confident	40 Å²	40	73 Å²	73	19%	0.187	35%	0.346	C	S	.	.			trans	-58	116	169.8	179.7	174.8	-31.5	0	0	109.5	L3010 N3090 D3100	L3010-Q3012 PolarHBondContact O-N 2.78Å; Q3012-N3090 PolarHBondContact NE2-ND2 3.48Å; Q3012-N3090 PolarHBondContact NE2-OD1 3.33Å; Q3012-N3090 VanDerWaalsContact NE2-OD1 3.1Å; Q3012-D3100 PolarHBondContact NE2-OD2 2.97Å; Q3012-D3100 PolarHBondContact OE1-OD2 3.08Å
3013	P	77.8	Confident	71.5	Confident	4 Å²	4	71.7 Å²	71.7	3%	0.026	34%	0.335	C	S	.	.			trans	-69.6	139.6	-168.8	22.9	-31.5	0	0	0	112.7	R3011 E3018 G3019 N3083 N3090	R3011-P3013 VanDerWaalsContact O-CD 3.31Å; R3011-P3013 WeakPolarHBondContact O-CD 3.41Å; R3011-P3013 VanDerWaalsContact O-N 3.14Å; P3013-E3018 HydrophobicContact CB-CB 3.81Å; P3013-E3018 HydrophobicContact CB-CG 3.86Å; P3013-G3019 VanDerWaalsContact CB-CA 3.45Å; P3013-G3019 VanDerWaalsContact CB-N 3.26Å; P3013-N3083 VanDerWaalsContact CG-O 3.23Å; P3013-N3083 WeakPolarHBondContact CG-O 3.49Å; P3013-N3090 PolarHBondContact O-ND2 3.43Å
3014	A	74.6	Confident	72.9	Confident	26 Å²	26	74.1 Å²	74.1	22%	0.215	35%	0.35	C	S	.	.	S	Bend	trans	-69.9	-42.7	-175.7	0	0	0	0	0	114.1	E3018 N3090 K3097	A3014-E3018 WeakPolarHBondContact CB-OE2 3.24Å; A3014-E3018 PolarHBondContact N-OE2 3.27Å; A3014-N3090 WeakPolarHBondContact O-CB 3.46Å; A3014-K3097 HydrophobicContact CB-CD 4.01Å; A3014-K3097 VanDerWaalsContact CB-CE 3.49Å
3015	D	80.6	Confident	74.2	Confident	74 Å²	74	71.4 Å²	71.4	40%	0.396	35%	0.346	S	S	.	.	S	Bend	trans	-128.2	166.7	-177.4	-72	-35.4	0	0	0	110.1	R3017 E3018 G3019 G3087	D3015-R3017 HydrophobicContact CB-CB 4.28Å; D3015-R3017 PolarHBondContact O-N 3.44Å; D3015-R3017 VanDerWaalsContact O-N 3.1Å; D3015-E3018 PolarHBondContact O-N 3.38Å; D3015-G3019 PolarHBondContact O-N 3.28Å; D3015-G3087 VanDerWaalsContact C-CA 3.41Å; D3015-G3087 CarbonylContact C-O 3.54Å; D3015-G3087 WeakPolarHBondContact O-CA 3.45Å
3016	I	86.7	Confident	75.6	Confident	57 Å²	57	67.4 Å²	67.4	29%	0.292	32%	0.317	S	S	.	.	H	α-helix	trans	-51.3	-34.2	165.5	-58.9	171.1	0	0	0	111.2	G3019 F3020 G3087 L3088 Q3091	I3016-G3019 PolarHBondContact O-N 3.35Å; I3016-F3020 WeakPolarHBondContact O-CB 3.25Å; I3016-F3020 PolarHBondContact O-N 3.11Å; I3016-G3087 PolarHBondContact N-O 3.44Å; I3016-L3088 HydrophobicContact CD1-CB 4.38Å; I3016-L3088 HydrophobicContact CD1-CD1 3.54Å; I3016-L3088 HydrophobicContact CG1-CB 4.04Å; I3016-L3088 HydrophobicContact CG1-CD1 4.13Å; I3016-Q3091 HydrophobicContact CG1-CB 4.37Å; I3016-Q3091 VanDerWaalsContact CG1-OE1 3.24Å
3017	R	89	Confident	77.1	Confident	173 Å²	173	66.7 Å²	66.7	65%	0.653	32%	0.32	S	S	*	.	H	α-helix	trans	-64.2	-42.7	177.9	-65.9	177.5	68	-157.7	4.4	112.7	D3015 G3021	D3015-R3017 HydrophobicContact CB-CB 4.28Å; D3015-R3017 PolarHBondContact O-N 3.44Å; D3015-R3017 VanDerWaalsContact O-N 3.1Å; R3017-G3021 PolarHBondContact O-N 3.34Å; R3017-G3021 VanDerWaalsContact O-N 3.08Å
3018	E	85.8	Confident	78.8	Confident	62 Å²	62	66.6 Å²	66.6	29%	0.29	33%	0.328	S	S	.	.	H	α-helix	trans	-73.2	-37.3	174.6	-167.7	-176.3	160.7	0	0	110.4	P3013 A3014 D3015 F3020 G3021 N3022	P3013-E3018 HydrophobicContact CB-CB 3.81Å; P3013-E3018 HydrophobicContact CB-CG 3.86Å; A3014-E3018 WeakPolarHBondContact CB-OE2 3.24Å; A3014-E3018 PolarHBondContact N-OE2 3.27Å; D3015-E3018 PolarHBondContact O-N 3.38Å; E3018-F3020 VanDerWaalsContact C-N 3.34Å; E3018-F3020 PolarHBondContact O-N 2.83Å; E3018-G3021 PolarHBondContact O-N 3.21Å; E3018-N3022 WeakPolarHBondContact O-CB 3.47Å; E3018-N3022 VanDerWaalsContact O-CG 3.32Å; E3018-N3022 PolarHBondContact O-N 3.14Å
3019	G	85.5	Confident	80.4	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-40.7	177	0	0	0	0	0	112.8	P3013 D3015 I3016 A3023 N3083	P3013-G3019 VanDerWaalsContact CB-CA 3.45Å; P3013-G3019 VanDerWaalsContact CB-N 3.26Å; D3015-G3019 PolarHBondContact O-N 3.28Å; I3016-G3019 PolarHBondContact O-N 3.35Å; G3019-A3023 WeakPolarHBondContact O-CB 3.35Å; G3019-A3023 PolarHBondContact O-N 3.06Å; G3019-N3083 WeakPolarHBondContact CA-O 3.37Å
3020	F	90.6	Very high	81.8	Confident	128 Å²	128	57.7 Å²	57.7	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-71.1	-39.6	173.6	-166.7	-92.2	0	0	0	112.3	I3016 E3018 A3023 V3024 I3084	I3016-F3020 WeakPolarHBondContact O-CB 3.25Å; I3016-F3020 PolarHBondContact O-N 3.11Å; E3018-F3020 VanDerWaalsContact C-N 3.34Å; E3018-F3020 PolarHBondContact O-N 2.83Å; F3020-A3023 PolarHBondContact O-N 3.5Å; F3020-V3024 HydrophobicContact CD1-CG2 4.15Å; F3020-V3024 HydrophobicContact CE1-CG2 3.82Å; F3020-V3024 HydrophobicContact CZ-CG2 4.35Å; F3020-V3024 WeakPolarHBondContact O-CG2 3.08Å; F3020-V3024 PolarHBondContact O-N 3.32Å; F3020-I3084 HydrophobicContact CD2-CD1 4.21Å; F3020-I3084 HydrophobicContact CD2-CG1 4.46Å
3021	G	89.4	Confident	83.3	Confident	30 Å²	30	61.5 Å²	61.5	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-46.4	174.1	0	0	0	0	0	112.6	R3017 E3018 V3024 N3025	R3017-G3021 PolarHBondContact O-N 3.34Å; R3017-G3021 VanDerWaalsContact O-N 3.08Å; E3018-G3021 PolarHBondContact O-N 3.21Å; G3021-V3024 PolarHBondContact O-N 3.06Å; G3021-N3025 VanDerWaalsContact O-CG 3.32Å; G3021-N3025 PolarHBondContact O-N 3.4Å; G3021-N3025 VanDerWaalsContact O-N 3.15Å; G3021-N3025 PolarHBondContact O-ND2 3.34Å
3022	N	84.8	Confident	84.3	Confident	24 Å²	24	61.1 Å²	61.1	13%	0.128	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-41.8	174.5	-70.6	-5	0	0	0	110.7	R3011 E3018 V3024 N3025 V3026 N3083	R3011-N3022 PolarHBondContact O-ND2 2.86Å; E3018-N3022 WeakPolarHBondContact O-CB 3.47Å; E3018-N3022 VanDerWaalsContact O-CG 3.32Å; E3018-N3022 PolarHBondContact O-N 3.14Å; N3022-V3024 PolarHBondContact O-N 2.92Å; N3022-N3025 CarbonylContact O-C 3.59Å; N3022-N3025 WeakPolarHBondContact O-CA 3.39Å; N3022-N3025 WeakPolarHBondContact O-CB 3.4Å; N3022-N3025 PolarHBondContact O-N 3.27Å; N3022-N3025 VanDerWaalsContact O-N 3.12Å; N3022-V3026 WeakPolarHBondContact O-CG2 3.33Å; N3022-V3026 PolarHBondContact O-N 3.1Å; N3022-N3083 HydrophobicContact CB-CB 4.49Å
3023	A	87.9	Confident	84.5	Confident	4 Å²	4	62 Å²	62	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-41.9	175	0	0	0	0	0	113.5	G3019 F3020 N3025 V3026 L3027 V3080 N3083 I3084	G3019-A3023 WeakPolarHBondContact O-CB 3.35Å; G3019-A3023 PolarHBondContact O-N 3.06Å; F3020-A3023 PolarHBondContact O-N 3.5Å; A3023-N3025 VanDerWaalsContact C-N 3.29Å; A3023-N3025 PolarHBondContact O-N 3Å; A3023-V3026 PolarHBondContact O-N 3.21Å; A3023-L3027 WeakPolarHBondContact O-CB 3.3Å; A3023-L3027 PolarHBondContact O-N 3.07Å; A3023-V3080 HydrophobicContact CB-CB 4.25Å; A3023-V3080 HydrophobicContact CB-CG1 4.05Å; A3023-V3080 HydrophobicContact CB-CG2 4.12Å; A3023-V3080 WeakPolarHBondContact O-CG2 3.46Å; A3023-N3083 HydrophobicContact CB-CB 4.48Å; A3023-I3084 HydrophobicContact CB-CD1 4Å; A3023-I3084 HydrophobicContact CB-CG1 3.83Å
3024	V	89.2	Confident	84.6	Confident	65 Å²	65	63.3 Å²	63.3	39%	0.394	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-39.4	173.7	172.2	0	0	0	0	110.8	F3020 G3021 N3022 L3027 T3028	F3020-V3024 HydrophobicContact CD1-CG2 4.15Å; F3020-V3024 HydrophobicContact CE1-CG2 3.82Å; F3020-V3024 HydrophobicContact CZ-CG2 4.35Å; F3020-V3024 WeakPolarHBondContact O-CG2 3.08Å; F3020-V3024 PolarHBondContact O-N 3.32Å; G3021-V3024 PolarHBondContact O-N 3.06Å; N3022-V3024 PolarHBondContact O-N 2.92Å; V3024-L3027 PolarHBondContact O-N 3.06Å; V3024-T3028 WeakPolarHBondContact O-CB 3.46Å; V3024-T3028 WeakPolarHBondContact O-CG2 3.44Å; V3024-T3028 PolarHBondContact O-N 3.26Å; V3024-T3028 PolarHBondContact O-OG1 2.77Å
3025	N	86.3	Confident	85	Confident	77 Å²	77	64.4 Å²	64.4	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-68.8	-32.3	175.9	-65.9	-30.1	0	0	0	113.4	G3021 N3022 A3023 T3028 R3029	G3021-N3025 VanDerWaalsContact O-CG 3.32Å; G3021-N3025 PolarHBondContact O-N 3.4Å; G3021-N3025 VanDerWaalsContact O-N 3.15Å; G3021-N3025 PolarHBondContact O-ND2 3.34Å; N3022-N3025 CarbonylContact O-C 3.59Å; N3022-N3025 WeakPolarHBondContact O-CA 3.39Å; N3022-N3025 WeakPolarHBondContact O-CB 3.4Å; N3022-N3025 PolarHBondContact O-N 3.27Å; N3022-N3025 VanDerWaalsContact O-N 3.12Å; A3023-N3025 VanDerWaalsContact C-N 3.29Å; A3023-N3025 PolarHBondContact O-N 3Å; N3025-T3028 WeakPolarHBondContact CA-OG1 3.34Å; N3025-T3028 PolarHBondContact O-OG1 3.18Å; N3025-R3029 WeakPolarHBondContact O-CB 3.48Å; N3025-R3029 VanDerWaalsContact O-CD 3.31Å; N3025-R3029 WeakPolarHBondContact O-CD 3.49Å; N3025-R3029 WeakPolarHBondContact O-CG 3.39Å; N3025-R3029 PolarHBondContact O-N 3.22Å
3026	V	83.2	Confident	85	Confident	7 Å²	7	66.1 Å²	66.1	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-66.6	-50.6	169.8	171.3	0	0	0	0	110.2	L3010 N3022 A3023 T3028 R3029 G3030 E3079 V3080	L3010-V3026 HydrophobicContact CD1-CG2 3.23Å; N3022-V3026 WeakPolarHBondContact O-CG2 3.33Å; N3022-V3026 PolarHBondContact O-N 3.1Å; A3023-V3026 PolarHBondContact O-N 3.21Å; V3026-T3028 PolarHBondContact O-N 3.35Å; V3026-R3029 CarbonylContact O-C 3.58Å; V3026-R3029 PolarHBondContact O-N 2.89Å; V3026-G3030 PolarHBondContact O-N 3.03Å; V3026-E3079 HydrophobicContact CG1-CB 3.88Å; V3026-E3079 HydrophobicContact CG1-CG 3.83Å; V3026-E3079 HydrophobicContact CG2-CG 3.91Å; V3026-E3079 WeakPolarHBondContact CG2-OE1 3.36Å; V3026-V3080 HydrophobicContact CB-CG2 4.1Å; V3026-V3080 HydrophobicContact CG1-CG2 3.94Å
3027	L	86.1	Confident	84.3	Confident	74 Å²	74	65.6 Å²	65.6	39%	0.387	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-43.3	-172.5	-172.9	59.6	0	0	0	111.9	A3023 V3024 G3030 F3031 V3080	A3023-L3027 WeakPolarHBondContact O-CB 3.3Å; A3023-L3027 PolarHBondContact O-N 3.07Å; V3024-L3027 PolarHBondContact O-N 3.06Å; L3027-G3030 PolarHBondContact O-N 3.05Å; L3027-F3031 HydrophobicContact CD1-CD2 4Å; L3027-F3031 HydrophobicContact CD1-CE2 3.55Å; L3027-F3031 HydrophobicContact CD1-CZ 4.33Å; L3027-F3031 HydrophobicContact CD2-CE2 4.31Å; L3027-F3031 HydrophobicContact CG-CD2 3.94Å; L3027-F3031 HydrophobicContact CG-CE2 3.71Å; L3027-F3031 VanDerWaalsContact O-CD2 3.23Å; L3027-F3031 WeakPolarHBondContact O-CD2 3.34Å; L3027-F3031 PolarHBondContact O-N 3.02Å; L3027-V3080 HydrophobicContact CB-CG2 3.94Å; L3027-V3080 HydrophobicContact CD1-CG2 4.48Å
3028	T	88.5	Confident	83.6	Confident	78 Å²	78	61.1 Å²	61.1	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-61.7	-42	173.9	46.2	0	0	0	0	112.5	V3024 N3025 V3026 Q3032	V3024-T3028 WeakPolarHBondContact O-CB 3.46Å; V3024-T3028 WeakPolarHBondContact O-CG2 3.44Å; V3024-T3028 PolarHBondContact O-N 3.26Å; V3024-T3028 PolarHBondContact O-OG1 2.77Å; N3025-T3028 WeakPolarHBondContact CA-OG1 3.34Å; N3025-T3028 PolarHBondContact O-OG1 3.18Å; V3026-T3028 PolarHBondContact O-N 3.35Å; T3028-Q3032 WeakPolarHBondContact O-CB 3.32Å; T3028-Q3032 PolarHBondContact O-N 3.24Å
3029	R	82	Confident	83.2	Confident	105 Å²	105	61.9 Å²	61.9	40%	0.396	33%	0.331	S	S	.	.	H	α-helix	trans	-66.5	-39.3	173.1	-72.8	171.5	-176.2	169.8	0.5	112.9	N3025 V3026 Q3032 M3033	N3025-R3029 WeakPolarHBondContact O-CB 3.48Å; N3025-R3029 VanDerWaalsContact O-CD 3.31Å; N3025-R3029 WeakPolarHBondContact O-CD 3.49Å; N3025-R3029 WeakPolarHBondContact O-CG 3.39Å; N3025-R3029 PolarHBondContact O-N 3.22Å; V3026-R3029 CarbonylContact O-C 3.58Å; V3026-R3029 PolarHBondContact O-N 2.89Å; R3029-Q3032 CarbonylContact O-C 3.51Å; R3029-Q3032 PolarHBondContact O-N 3.17Å; R3029-M3033 WeakPolarHBondContact O-CG 3.45Å; R3029-M3033 PolarHBondContact O-N 3.31Å
3030	G	80.5	Confident	82.4	Confident	13 Å²	13	63.4 Å²	63.4	13%	0.134	35%	0.347	C	S	.	.	H	α-helix	trans	-62.2	-46.7	176.6	0	0	0	0	0	111.7	V3026 L3027 Q3032 M3033 V3034	V3026-G3030 PolarHBondContact O-N 3.03Å; L3027-G3030 PolarHBondContact O-N 3.05Å; G3030-Q3032 VanDerWaalsContact C-N 3.35Å; G3030-M3033 PolarHBondContact O-N 2.87Å; G3030-V3034 WeakPolarHBondContact O-CG2 3.48Å; G3030-V3034 PolarHBondContact O-N 2.75Å
3031	F	85.2	Confident	81	Confident	134 Å²	134	58.6 Å²	58.6	59%	0.588	33%	0.331	S	S	*	.	H	α-helix	trans	-64.5	-36.9	172.1	-77.4	-59.3	0	0	0	112.8	L3027 V3034 A3035	L3027-F3031 HydrophobicContact CD1-CD2 4Å; L3027-F3031 HydrophobicContact CD1-CE2 3.55Å; L3027-F3031 HydrophobicContact CD1-CZ 4.33Å; L3027-F3031 HydrophobicContact CD2-CE2 4.31Å; L3027-F3031 HydrophobicContact CG-CD2 3.94Å; L3027-F3031 HydrophobicContact CG-CE2 3.71Å; L3027-F3031 VanDerWaalsContact O-CD2 3.23Å; L3027-F3031 WeakPolarHBondContact O-CD2 3.34Å; L3027-F3031 PolarHBondContact O-N 3.02Å; F3031-V3034 PolarHBondContact O-N 2.73Å; F3031-A3035 WeakPolarHBondContact O-CB 3.4Å; F3031-A3035 PolarHBondContact O-N 2.88Å
3032	Q	84.1	Confident	79.8	Confident	109 Å²	109	61.6 Å²	61.6	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-42.2	174.4	-177.4	176.8	-16.3	0	0	111.7	T3028 R3029 G3030 A3035 E3036	T3028-Q3032 WeakPolarHBondContact O-CB 3.32Å; T3028-Q3032 PolarHBondContact O-N 3.24Å; R3029-Q3032 CarbonylContact O-C 3.51Å; R3029-Q3032 PolarHBondContact O-N 3.17Å; G3030-Q3032 VanDerWaalsContact C-N 3.35Å; Q3032-A3035 CarbonylContact O-C 3.56Å; Q3032-A3035 PolarHBondContact O-N 2.9Å; Q3032-E3036 HydrophobicContact CG-CG 4.32Å; Q3032-E3036 WeakPolarHBondContact CG-OE1 3.39Å; Q3032-E3036 PolarHBondContact NE2-OE1 3.16Å; Q3032-E3036 WeakPolarHBondContact O-CB 3.37Å; Q3032-E3036 WeakPolarHBondContact O-CG 3.47Å; Q3032-E3036 PolarHBondContact O-N 2.77Å
3033	M	77.3	Confident	78.5	Confident	59 Å²	59	64 Å²	64	29%	0.291	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-42.7	174.9	-72.3	178.8	-175.1	0	0	111.7	R3006 R3029 G3030 A3035 E3036 D3037	R3006-M3033 HydrophobicContact CB-CE 4.38Å; R3029-M3033 WeakPolarHBondContact O-CG 3.45Å; R3029-M3033 PolarHBondContact O-N 3.31Å; G3030-M3033 PolarHBondContact O-N 2.87Å; M3033-A3035 VanDerWaalsContact C-N 3.32Å; M3033-A3035 PolarHBondContact O-N 3.18Å; M3033-E3036 PolarHBondContact O-N 2.8Å; M3033-D3037 WeakPolarHBondContact O-CB 3.41Å; M3033-D3037 PolarHBondContact O-N 3.25Å
3034	V	79.2	Confident	76.8	Confident	31 Å²	31	69.6 Å²	69.6	19%	0.188	40%	0.396	C	S	.	.	H	α-helix	trans	-60.1	-42.9	173	172	0	0	0	0	111.1	G3030 F3031 L3038 T3072	G3030-V3034 WeakPolarHBondContact O-CG2 3.48Å; G3030-V3034 PolarHBondContact O-N 2.75Å; F3031-V3034 PolarHBondContact O-N 2.73Å; V3034-L3038 WeakPolarHBondContact O-CB 3.32Å; V3034-L3038 PolarHBondContact O-N 3.11Å; V3034-T3072 WeakPolarHBondContact CG2-OG1 3.4Å
3035	A	83.8	Confident	74.9	Confident	49 Å²	49	70.7 Å²	70.7	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-68.2	-37.8	177.3	0	0	0	0	0	112.5	F3031 Q3032 M3033 C3039	F3031-A3035 WeakPolarHBondContact O-CB 3.4Å; F3031-A3035 PolarHBondContact O-N 2.88Å; Q3032-A3035 CarbonylContact O-C 3.56Å; Q3032-A3035 PolarHBondContact O-N 2.9Å; M3033-A3035 VanDerWaalsContact C-N 3.32Å; M3033-A3035 PolarHBondContact O-N 3.18Å; A3035-C3039 WeakPolarHBondContact O-CB 3.48Å; A3035-C3039 PolarHBondContact O-N 2.96Å; A3035-C3039 PolarHBondContact O-SG 3.48Å
3036	E	80.2	Confident	72.9	Confident	110 Å²	110	69.9 Å²	69.9	51%	0.514	40%	0.404	S	S	.	.	H	α-helix	trans	-70.2	-44.2	176.8	-76.9	173.4	-171.7	0	0	111.9	Q3032 M3033 G3040	Q3032-E3036 HydrophobicContact CG-CG 4.32Å; Q3032-E3036 WeakPolarHBondContact CG-OE1 3.39Å; Q3032-E3036 PolarHBondContact NE2-OE1 3.16Å; Q3032-E3036 WeakPolarHBondContact O-CB 3.37Å; Q3032-E3036 WeakPolarHBondContact O-CG 3.47Å; Q3032-E3036 PolarHBondContact O-N 2.77Å; M3033-E3036 PolarHBondContact O-N 2.8Å; E3036-G3040 PolarHBondContact O-N 2.93Å
3037	D	72.6	Confident	71.3	Confident	46 Å²	46	78.1 Å²	78.1	25%	0.246	44%	0.442	C	S	.	.	H	α-helix	trans	-67.5	-38	176.6	-68.5	-32.4	0	0	0	110.7	R3006 M3033 A3041	R3006-D3037 IonicContact CZ-OD1 3.95Å; R3006-D3037 IonicContact CZ-OD2 3.87Å; R3006-D3037 VanDerWaalsContact NH1-CG 3.33Å; R3006-D3037 IonicContact NH1-OD1 2.75Å; R3006-D3037 PolarHBondContact NH1-OD1 3.3Å; R3006-D3037 IonicContact NH1-OD2 3.95Å; R3006-D3037 PolarHBondContact NH1-OD2 3.46Å; R3006-D3037 IonicContact NH2-OD1 2.94Å; R3006-D3037 PolarHBondContact NH2-OD1 2.92Å; M3033-D3037 WeakPolarHBondContact O-CB 3.41Å; M3033-D3037 PolarHBondContact O-N 3.25Å; D3037-A3041 WeakPolarHBondContact O-CB 3.42Å; D3037-A3041 PolarHBondContact O-N 2.88Å
3038	L	73.4	Confident	69.5	Low	79 Å²	79	81.1 Å²	81.1	41%	0.414	46%	0.463	S	S	.	.	H	α-helix	trans	-77.1	-28.2	176.5	-173	65	0	0	0	114	V3034 A3041 T3042	V3034-L3038 WeakPolarHBondContact O-CB 3.32Å; V3034-L3038 PolarHBondContact O-N 3.11Å; L3038-A3041 WeakPolarHBondContact O-CB 3.47Å; L3038-T3042 WeakPolarHBondContact O-CG2 3.36Å; L3038-T3042 PolarHBondContact O-N 2.84Å; L3038-T3042 PolarHBondContact O-OG1 3.16Å
3039	C	77.5	Confident	67.6	Low	77 Å²	77	82.3 Å²	82.3	52%	0.52	46%	0.463	S	S	.	.	H	α-helix	trans	-77.8	-43.7	170.8	-76.7	0	0	0	0	111.2	A3035 A3041 T3042 A3043	A3035-C3039 WeakPolarHBondContact O-CB 3.48Å; A3035-C3039 PolarHBondContact O-N 2.96Å; A3035-C3039 PolarHBondContact O-SG 3.48Å; C3039-A3041 VanDerWaalsContact C-N 3.28Å; C3039-A3041 PolarHBondContact O-N 3.5Å; C3039-T3042 PolarHBondContact O-N 3.31Å; C3039-T3042 PolarHBondContact O-OG1 3.37Å; C3039-A3043 WeakPolarHBondContact O-CA 3.43Å; C3039-A3043 WeakPolarHBondContact O-CB 3.33Å; C3039-A3043 PolarHBondContact O-N 3.37Å
3040	G	68.6	Low	65.9	Low	33 Å²	33	82.8 Å²	82.8	34%	0.34	47%	0.472	S	S	.	.	H	α-helix	trans	-58.9	-42.9	175.2	0	0	0	0	0	111.6	E3036 T3042 L3044	E3036-G3040 PolarHBondContact O-N 2.93Å; G3040-T3042 VanDerWaalsContact C-N 3.33Å; G3040-T3042 PolarHBondContact O-N 3.47Å; G3040-L3044 VanDerWaalsContact O-CB 3.25Å; G3040-L3044 WeakPolarHBondContact O-CB 3.22Å; G3040-L3044 WeakPolarHBondContact O-CD1 3.2Å; G3040-L3044 WeakPolarHBondContact O-CG 3.35Å; G3040-L3044 PolarHBondContact O-N 2.8Å; G3040-L3044 VanDerWaalsContact O-N 3.12Å
3041	A	61.9	Low	64.6	Low	26 Å²	26	85.5 Å²	85.5	22%	0.215	50%	0.501	C	S	.	.	H	α-helix	trans	-48.6	-43	167.8	0	0	0	0	0	116.4	D3037 L3038 C3039 Q3065	D3037-A3041 WeakPolarHBondContact O-CB 3.42Å; D3037-A3041 PolarHBondContact O-N 2.88Å; L3038-A3041 WeakPolarHBondContact O-CB 3.47Å; C3039-A3041 VanDerWaalsContact C-N 3.28Å; C3039-A3041 PolarHBondContact O-N 3.5Å; A3041-Q3065 HydrophobicContact CB-CG 3.75Å; A3041-Q3065 VanDerWaalsContact CB-OE1 3.23Å
3042	T	62.6	Low	63.1	Low	93 Å²	93	89.5 Å²	89.5	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-100.8	-17.8	-173	49.9	0	0	0	0	113.3	L3038 C3039 G3040 P3045	L3038-T3042 WeakPolarHBondContact O-CG2 3.36Å; L3038-T3042 PolarHBondContact O-N 2.84Å; L3038-T3042 PolarHBondContact O-OG1 3.16Å; C3039-T3042 PolarHBondContact O-N 3.31Å; C3039-T3042 PolarHBondContact O-OG1 3.37Å; G3040-T3042 VanDerWaalsContact C-N 3.33Å; G3040-T3042 PolarHBondContact O-N 3.47Å; T3042-P3045 VanDerWaalsContact O-CD 3.32Å; T3042-P3045 WeakPolarHBondContact O-CD 3.45Å
3043	A	58.9	Low	61.6	Low	76 Å²	76	88.7 Å²	88.7	63%	0.628	51%	0.508	S	S	*	.	S	Bend	trans	-99.9	12.6	174.7	0	0	0	0	0	113.2	C3039	C3039-A3043 WeakPolarHBondContact O-CA 3.43Å; C3039-A3043 WeakPolarHBondContact O-CB 3.33Å; C3039-A3043 PolarHBondContact O-N 3.37Å
3044	L	51.8	Low	60.7	Low	121 Å²	121	87.8 Å²	87.8	63%	0.634	52%	0.515	S	S	*	.			trans	-92.2	18.8	168.1	-87.6	171.8	0	0	0	117.7	G3040 S3046	G3040-L3044 VanDerWaalsContact O-CB 3.25Å; G3040-L3044 WeakPolarHBondContact O-CB 3.22Å; G3040-L3044 WeakPolarHBondContact O-CD1 3.2Å; G3040-L3044 WeakPolarHBondContact O-CG 3.35Å; G3040-L3044 PolarHBondContact O-N 2.8Å; G3040-L3044 VanDerWaalsContact O-N 3.12Å; L3044-S3046 PolarHBondContact O-N 3.48Å
3045	P	48.7	Very low	60	Low	88 Å²	88	91.3 Å²	91.3	57%	0.571	54%	0.538	S	S	*	.			trans	-73.9	65.6	152.4	34.6	-28.6	0	0	0	108.3	T3042 E3047	T3042-P3045 VanDerWaalsContact O-CD 3.32Å; T3042-P3045 WeakPolarHBondContact O-CD 3.45Å; P3045-E3047 PolarHBondContact O-N 3.41Å
3046	S	45.2	Very low	59	Low	59 Å²	59	94.8 Å²	94.8	41%	0.413	55%	0.554	S	S	.	*			trans	-59.5	134.7	165.2	75.9	0	0	0	0	107.3	L3044 V3048 E3049	L3044-S3046 PolarHBondContact O-N 3.48Å; S3046-V3048 PolarHBondContact O-N 3.07Å; S3046-E3049 PolarHBondContact O-N 2.84Å
3047	E	48.7	Very low	58.3	Low	181 Å²	181	90.7 Å²	90.7	85%	0.846	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	9.6	-159.5	-58.3	177	133.6	0	0	114.6	P3045	P3045-E3047 PolarHBondContact O-N 3.41Å
3048	V	49.3	Very low	57.9	Low	137 Å²	137	94.9 Å²	94.9	83%	0.83	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-26.2	-174	-170.9	0	0	0	0	112.8	S3046	S3046-V3048 PolarHBondContact O-N 3.07Å
3049	E	47.5	Very low	57.7	Low	103 Å²	103	95.2 Å²	95.2	48%	0.481	57%	0.566	S	S	.	*	S	Bend	trans	-98.3	-5.8	-176.9	-71.2	-156	154.5	0	0	115.3	S3046 G3051 Y3052 K3053	S3046-E3049 PolarHBondContact O-N 2.84Å; E3049-G3051 PolarHBondContact O-N 3.11Å; E3049-Y3052 PolarHBondContact O-N 3.48Å; E3049-Y3052 VanDerWaalsContact O-N 3.07Å; E3049-K3053 WeakPolarHBondContact OE2-CE 3.27Å; E3049-K3053 IonicContact OE2-NZ 3.22Å; E3049-K3053 PolarHBondContact OE2-NZ 3.15Å
3050	I	47.9	Very low	57.2	Low	114 Å²	114	92.8 Å²	92.8	59%	0.585	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-23.2	-169.6	-62.1	175.5	0	0	0	113.2
3051	G	51.2	Low	57.1	Low	71 Å²	71	93.5 Å²	93.5	73%	0.732	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-12.4	179	0	0	0	0	0	117	E3049	E3049-G3051 PolarHBondContact O-N 3.11Å
3052	Y	54.8	Low	57.4	Low	218 Å²	218	95.8 Å²	95.8	86%	0.855	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	-23.9	-172.3	-74.2	-79.2	0	0	0	115.5	E3049 G3054	E3049-Y3052 PolarHBondContact O-N 3.48Å; E3049-Y3052 VanDerWaalsContact O-N 3.07Å; Y3052-G3054 PolarHBondContact O-N 3.18Å
3053	K	51.5	Low	57.7	Low	91 Å²	91	96.4 Å²	96.4	40%	0.396	56%	0.56	S	S	.	*			trans	-86.5	92.7	169.3	-73.8	-177.5	179.9	178.2	0	110	E3049 D3061	E3049-K3053 WeakPolarHBondContact OE2-CE 3.27Å; E3049-K3053 IonicContact OE2-NZ 3.22Å; E3049-K3053 PolarHBondContact OE2-NZ 3.15Å; K3053-D3061 IonicContact NZ-OD2 3.88Å; K3053-D3061 PolarHBondContact NZ-OD2 2.59Å
3054	G	59.8	Low	58.1	Low	41 Å²	41	101 Å²	101	42%	0.423	56%	0.561	S	S	.	*			trans	-60.6	177.1	166.7	0	0	0	0	0	112.3	Y3052 V3056 G3057 M3058	Y3052-G3054 PolarHBondContact O-N 3.18Å; G3054-V3056 PolarHBondContact O-N 3.15Å; G3054-G3057 WeakPolarHBondContact O-CA 3.33Å; G3054-G3057 PolarHBondContact O-N 3.02Å; G3054-M3058 PolarHBondContact O-N 3.21Å
3055	P	64.2	Low	59	Low	104 Å²	104	96.5 Å²	96.5	68%	0.675	54%	0.537	S	S	*	.	H	α-helix	trans	-57.1	-28.7	-176.1	21.4	-33.2	0	0	0	113.7	G3057 M3058 V3059	P3055-G3057 VanDerWaalsContact C-N 3.26Å; P3055-G3057 PolarHBondContact O-N 3.27Å; P3055-M3058 PolarHBondContact O-N 3.44Å; P3055-V3059 WeakPolarHBondContact O-CG2 3.29Å; P3055-V3059 PolarHBondContact O-N 2.79Å
3056	V	63	Low	60.1	Low	122 Å²	122	96 Å²	96	74%	0.739	53%	0.529	S	S	*	.	H	α-helix	trans	-62	-32.8	172.7	-165.9	0	0	0	0	112.2	G3054 G3060	G3054-V3056 PolarHBondContact O-N 3.15Å; V3056-G3060 PolarHBondContact O-N 2.92Å
3057	G	65.3	Low	61.4	Low	24 Å²	24	95 Å²	95	25%	0.247	52%	0.521	C	S	.	.	H	α-helix	trans	-70.1	-41.5	174.7	0	0	0	0	0	112.7	G3054 P3055 G3060 D3061	G3054-G3057 WeakPolarHBondContact O-CA 3.33Å; G3054-G3057 PolarHBondContact O-N 3.02Å; P3055-G3057 VanDerWaalsContact C-N 3.26Å; P3055-G3057 PolarHBondContact O-N 3.27Å; G3057-G3060 PolarHBondContact O-N 2.73Å; G3057-D3061 PolarHBondContact O-N 3.26Å
3058	M	64.8	Low	62.4	Low	134 Å²	134	87 Å²	87	66%	0.66	48%	0.484	S	S	*	.	H	α-helix	trans	-61.9	-44.6	172.5	-65	179.3	70.2	0	0	111.4	G3054 P3055 G3060 D3061 V3062	G3054-M3058 PolarHBondContact O-N 3.21Å; P3055-M3058 PolarHBondContact O-N 3.44Å; M3058-G3060 VanDerWaalsContact C-N 3.31Å; M3058-G3060 PolarHBondContact O-N 2.84Å; M3058-D3061 PolarHBondContact O-N 3.05Å; M3058-V3062 WeakPolarHBondContact O-CG2 3.42Å; M3058-V3062 PolarHBondContact O-N 2.83Å
3059	V	67.6	Low	63.7	Low	87 Å²	87	83.2 Å²	83.2	53%	0.527	46%	0.462	S	S	.	.	H	α-helix	trans	-63.6	-36.8	174.3	173.7	0	0	0	0	111.3	P3055 V3062 L3063	P3055-V3059 WeakPolarHBondContact O-CG2 3.29Å; P3055-V3059 PolarHBondContact O-N 2.79Å; V3059-V3062 PolarHBondContact O-N 3.05Å; V3059-L3063 HydrophobicContact CG1-CD1 3.95Å; V3059-L3063 HydrophobicContact CG1-CG 4.4Å; V3059-L3063 WeakPolarHBondContact O-CB 3.39Å; V3059-L3063 VanDerWaalsContact O-CG 3.27Å; V3059-L3063 WeakPolarHBondContact O-CG 3.35Å; V3059-L3063 PolarHBondContact O-N 2.67Å
3060	G	68.3	Low	65.2	Low	26 Å²	26	84.4 Å²	84.4	27%	0.268	47%	0.469	S	S	.	.	H	α-helix	trans	-66	-41.6	175.5	0	0	0	0	0	113.8	V3056 G3057 M3058 L3063 R3064	V3056-G3060 PolarHBondContact O-N 2.92Å; G3057-G3060 PolarHBondContact O-N 2.73Å; M3058-G3060 VanDerWaalsContact C-N 3.31Å; M3058-G3060 PolarHBondContact O-N 2.84Å; G3060-L3063 PolarHBondContact O-N 3.11Å; G3060-R3064 WeakPolarHBondContact O-CG 3.43Å; G3060-R3064 PolarHBondContact O-N 3.11Å
3061	D	65.4	Low	66.7	Low	48 Å²	48	80.1 Å²	80.1	26%	0.257	45%	0.448	S	S	.	.	H	α-helix	trans	-68.7	-38.1	174.6	-75.1	-30.1	0	0	0	110.7	K3053 G3057 M3058 R3064 Q3065	K3053-D3061 IonicContact NZ-OD2 3.88Å; K3053-D3061 PolarHBondContact NZ-OD2 2.59Å; G3057-D3061 PolarHBondContact O-N 3.26Å; M3058-D3061 PolarHBondContact O-N 3.05Å; D3061-R3064 WeakPolarHBondContact O-CB 3.18Å; D3061-R3064 PolarHBondContact O-N 3.24Å; D3061-R3064 IonicContact OD1-NH1 3.29Å; D3061-Q3065 VanDerWaalsContact O-CD 3.28Å; D3061-Q3065 WeakPolarHBondContact O-CG 3.34Å; D3061-Q3065 PolarHBondContact O-NE2 3.2Å
3062	V	68.3	Low	68.1	Low	74 Å²	74	77.2 Å²	77.2	45%	0.448	42%	0.416	S	S	.	.	H	α-helix	trans	-63.6	-43.5	171.3	171.3	0	0	0	0	112.3	M3058 V3059 R3064 Q3065 I3066	M3058-V3062 WeakPolarHBondContact O-CG2 3.42Å; M3058-V3062 PolarHBondContact O-N 2.83Å; V3059-V3062 PolarHBondContact O-N 3.05Å; V3062-R3064 PolarHBondContact O-N 3.35Å; V3062-Q3065 WeakPolarHBondContact O-CB 3.12Å; V3062-Q3065 PolarHBondContact O-N 2.67Å; V3062-I3066 PolarHBondContact O-N 2.68Å
3063	L	69.4	Low	69.4	Low	105 Å²	105	69.7 Å²	69.7	55%	0.55	39%	0.394	S	S	.	.	H	α-helix	trans	-57.1	-35.4	175.8	-83.1	163	0	0	0	112.3	V3059 G3060 Q3065 I3066 P3067	V3059-L3063 HydrophobicContact CG1-CD1 3.95Å; V3059-L3063 HydrophobicContact CG1-CG 4.4Å; V3059-L3063 WeakPolarHBondContact O-CB 3.39Å; V3059-L3063 VanDerWaalsContact O-CG 3.27Å; V3059-L3063 WeakPolarHBondContact O-CG 3.35Å; V3059-L3063 PolarHBondContact O-N 2.67Å; G3060-L3063 PolarHBondContact O-N 3.11Å; L3063-Q3065 PolarHBondContact O-N 3.24Å; L3063-I3066 HydrophobicContact CD2-CD1 4.09Å; L3063-I3066 PolarHBondContact O-N 3.08Å; L3063-P3067 WeakPolarHBondContact O-CD 3.33Å
3064	R	68	Low	71	Confident	173 Å²	173	69.2 Å²	69.2	65%	0.653	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-16.6	175.3	-72.3	167.4	166.3	-173.3	-7.7	114	G3060 D3061 V3062 P3068	G3060-R3064 WeakPolarHBondContact O-CG 3.43Å; G3060-R3064 PolarHBondContact O-N 3.11Å; D3061-R3064 WeakPolarHBondContact O-CB 3.18Å; D3061-R3064 PolarHBondContact O-N 3.24Å; D3061-R3064 IonicContact OD1-NH1 3.29Å; V3062-R3064 PolarHBondContact O-N 3.35Å; R3064-P3068 WeakPolarHBondContact O-CD 3.38Å
3065	Q	70.1	Confident	72.1	Confident	27 Å²	27	67.9 Å²	67.9	13%	0.126	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-18.5	-179.7	-58.6	150.6	27.7	0	0	113.1	A3041 D3061 V3062 L3063 P3068 T3069	A3041-Q3065 HydrophobicContact CB-CG 3.75Å; A3041-Q3065 VanDerWaalsContact CB-OE1 3.23Å; D3061-Q3065 VanDerWaalsContact O-CD 3.28Å; D3061-Q3065 WeakPolarHBondContact O-CG 3.34Å; D3061-Q3065 PolarHBondContact O-NE2 3.2Å; V3062-Q3065 WeakPolarHBondContact O-CB 3.12Å; V3062-Q3065 PolarHBondContact O-N 2.67Å; L3063-Q3065 PolarHBondContact O-N 3.24Å; Q3065-P3068 VanDerWaalsContact O-CD 3.31Å; Q3065-P3068 WeakPolarHBondContact O-CD 3.4Å; Q3065-T3069 WeakPolarHBondContact O-CB 3.43Å; Q3065-T3069 PolarHBondContact O-N 2.78Å; Q3065-T3069 PolarHBondContact O-OG1 2.84Å
3066	I	71.4	Confident	73	Confident	78 Å²	78	63.4 Å²	63.4	40%	0.4	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-47.4	-179.5	-59.8	179.2	0	0	0	111.3	V3062 L3063 T3069 M3070	V3062-I3066 PolarHBondContact O-N 2.68Å; L3063-I3066 HydrophobicContact CD2-CD1 4.09Å; L3063-I3066 PolarHBondContact O-N 3.08Å; I3066-T3069 PolarHBondContact O-N 3.28Å; I3066-M3070 HydrophobicContact CG2-CG 4.23Å; I3066-M3070 HydrophobicContact CG2-SD 3.69Å; I3066-M3070 WeakPolarHBondContact O-CB 3.45Å; I3066-M3070 WeakPolarHBondContact O-CG 3.31Å; I3066-M3070 PolarHBondContact O-N 3.31Å
3067	P	73	Confident	74.1	Confident	36 Å²	36	60.2 Å²	60.2	23%	0.234	33%	0.334	C	S	.	.	H	α-helix	trans	-62.7	-46.2	177.4	-17.4	29.4	0	0	0	114.2	V2997 L3063 T3069 M3070 V3071	V2997-P3067 HydrophobicContact CG2-CB 3.56Å; V2997-P3067 HydrophobicContact CG2-CG 4.17Å; L3063-P3067 WeakPolarHBondContact O-CD 3.33Å; P3067-T3069 PolarHBondContact O-N 2.92Å; P3067-M3070 PolarHBondContact O-N 2.81Å; P3067-V3071 WeakPolarHBondContact O-CB 3.3Å; P3067-V3071 WeakPolarHBondContact O-CG2 3.49Å; P3067-V3071 PolarHBondContact O-N 2.88Å
3068	P	70.2	Confident	75.2	Confident	13 Å²	13	59.8 Å²	59.8	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-50.8	-52.8	167.9	-23.2	25.3	0	0	0	113.8	Y2994 T2998 R3064 Q3065 M3070 V3071 T3072	Y2994-P3068 HydrophobicContact CE2-CB 3.91Å; Y2994-P3068 HydrophobicContact CE2-CG 3.76Å; T2998-P3068 HydrophobicContact CG2-CG 4.2Å; R3064-P3068 WeakPolarHBondContact O-CD 3.38Å; Q3065-P3068 VanDerWaalsContact O-CD 3.31Å; Q3065-P3068 WeakPolarHBondContact O-CD 3.4Å; P3068-M3070 VanDerWaalsContact C-N 3.27Å; P3068-M3070 PolarHBondContact O-N 3.04Å; P3068-V3071 PolarHBondContact O-N 3.09Å; P3068-T3072 WeakPolarHBondContact O-CB 3.42Å; P3068-T3072 VanDerWaalsContact O-CG2 3.3Å; P3068-T3072 WeakPolarHBondContact O-CG2 3.19Å; P3068-T3072 PolarHBondContact O-N 3.46Å; P3068-T3072 PolarHBondContact O-OG1 2.83Å
3069	T	75.4	Confident	76.1	Confident	59 Å²	59	55.7 Å²	55.7	36%	0.362	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-30.7	-173.8	-51.4	0	0	0	0	112.3	Q3065 I3066 P3067 P3073	Q3065-T3069 WeakPolarHBondContact O-CB 3.43Å; Q3065-T3069 PolarHBondContact O-N 2.78Å; Q3065-T3069 PolarHBondContact O-OG1 2.84Å; I3066-T3069 PolarHBondContact O-N 3.28Å; P3067-T3069 PolarHBondContact O-N 2.92Å; T3069-P3073 WeakPolarHBondContact O-CD 3.44Å; T3069-P3073 WeakPolarHBondContact O-CG 3.27Å
3070	M	80.8	Confident	77.1	Confident	128 Å²	128	52.7 Å²	52.7	63%	0.631	29%	0.288	S	S	*	.	H	α-helix	trans	-81.3	-39.5	176.4	-69.6	-176.8	71.4	0	0	113.5	I3066 P3067 P3068 I3074	I3066-M3070 HydrophobicContact CG2-CG 4.23Å; I3066-M3070 HydrophobicContact CG2-SD 3.69Å; I3066-M3070 WeakPolarHBondContact O-CB 3.45Å; I3066-M3070 WeakPolarHBondContact O-CG 3.31Å; I3066-M3070 PolarHBondContact O-N 3.31Å; P3067-M3070 PolarHBondContact O-N 2.81Å; P3068-M3070 VanDerWaalsContact C-N 3.27Å; P3068-M3070 PolarHBondContact O-N 3.04Å; M3070-I3074 WeakPolarHBondContact O-CD1 3.36Å
3071	V	79	Confident	78.1	Confident	24 Å²	24	54.3 Å²	54.3	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-89.1	-35.6	-171.3	-178.3	0	0	0	0	113.1	A2990 Y2994 P3067 P3068 I3074 V3075	A2990-V3071 HydrophobicContact CB-CG1 4.03Å; A2990-V3071 WeakPolarHBondContact O-CG1 3.43Å; Y2994-V3071 HydrophobicContact CD2-CB 4.38Å; P3067-V3071 WeakPolarHBondContact O-CB 3.3Å; P3067-V3071 WeakPolarHBondContact O-CG2 3.49Å; P3067-V3071 PolarHBondContact O-N 2.88Å; P3068-V3071 PolarHBondContact O-N 3.09Å; V3071-I3074 WeakPolarHBondContact O-CB 3.4Å; V3071-I3074 PolarHBondContact O-N 2.83Å; V3071-V3075 HydrophobicContact CG1-CG2 3.91Å; V3071-V3075 PolarHBondContact O-N 3.36Å
3072	T	79.1	Confident	79.1	Confident	9 Å²	9	52.5 Å²	52.5	6%	0.055	28%	0.284	C	S	.	.	H	α-helix	trans	-56.5	-42	179.2	50.3	0	0	0	0	115	L3003 V3034 P3068 I3074 V3075 A3076	L3003-T3072 HydrophobicContact CD1-CG2 4.12Å; L3003-T3072 HydrophobicContact CD2-CG2 4Å; V3034-T3072 WeakPolarHBondContact CG2-OG1 3.4Å; P3068-T3072 WeakPolarHBondContact O-CB 3.42Å; P3068-T3072 VanDerWaalsContact O-CG2 3.3Å; P3068-T3072 WeakPolarHBondContact O-CG2 3.19Å; P3068-T3072 PolarHBondContact O-N 3.46Å; P3068-T3072 PolarHBondContact O-OG1 2.83Å; T3072-I3074 VanDerWaalsContact C-N 3.29Å; T3072-I3074 PolarHBondContact O-N 3.15Å; T3072-V3075 PolarHBondContact O-N 3.39Å; T3072-A3076 VanDerWaalsContact O-CB 3.3Å; T3072-A3076 WeakPolarHBondContact O-CB 3.16Å; T3072-A3076 PolarHBondContact O-N 3.45Å
3073	P	83.6	Confident	80	Confident	60 Å²	60	49.6 Å²	49.6	39%	0.39	27%	0.266	S	S	.	.	H	α-helix	trans	-67.8	-27.9	174.7	27	-35.9	0	0	0	112.8	T3069 S3077	T3069-P3073 WeakPolarHBondContact O-CD 3.44Å; T3069-P3073 WeakPolarHBondContact O-CG 3.27Å; P3073-S3077 VanDerWaalsContact O-CB 3.23Å; P3073-S3077 WeakPolarHBondContact O-CB 3.3Å; P3073-S3077 PolarHBondContact O-N 3.4Å; P3073-S3077 PolarHBondContact O-OG 3.4Å
3074	I	85	Confident	81	Confident	82 Å²	82	47.2 Å²	47.2	42%	0.421	25%	0.253	S	S	.	.	H	α-helix	trans	-70.8	-46.2	175.2	-58.4	173.5	0	0	0	109.8	M3070 V3071 T3072 S3077 C3078	M3070-I3074 WeakPolarHBondContact O-CD1 3.36Å; V3071-I3074 WeakPolarHBondContact O-CB 3.4Å; V3071-I3074 PolarHBondContact O-N 2.83Å; T3072-I3074 VanDerWaalsContact C-N 3.29Å; T3072-I3074 PolarHBondContact O-N 3.15Å; I3074-S3077 WeakPolarHBondContact CA-OG 3.43Å; I3074-S3077 PolarHBondContact O-N 3.32Å; I3074-S3077 PolarHBondContact O-OG 3.47Å; I3074-S3077 VanDerWaalsContact O-OG 3.05Å; I3074-C3078 WeakPolarHBondContact O-CB 3.28Å; I3074-C3078 PolarHBondContact O-N 3.3Å; I3074-C3078 PolarHBondContact O-SG 3.41Å
3075	V	82.3	Confident	82	Confident	13 Å²	13	40.3 Å²	40.3	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-47.3	176.1	172.8	0	0	0	0	111	Q2987 A2990 E2991 L3003 V3071 T3072 C3078 E3079	Q2987-V3075 HydrophobicContact CG-CG1 4.03Å; A2990-V3075 HydrophobicContact CB-CG2 3.75Å; E2991-V3075 HydrophobicContact CG-CG1 4.07Å; E2991-V3075 HydrophobicContact CG-CG2 3.95Å; L3003-V3075 HydrophobicContact CD1-CG2 4.37Å; V3071-V3075 HydrophobicContact CG1-CG2 3.91Å; V3071-V3075 PolarHBondContact O-N 3.36Å; T3072-V3075 PolarHBondContact O-N 3.39Å; V3075-C3078 PolarHBondContact O-N 3.2Å; V3075-E3079 PolarHBondContact O-N 2.76Å
3076	A	82.7	Confident	82.6	Confident	10 Å²	10	39.3 Å²	39.3	8%	0.083	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-38.1	179.7	0	0	0	0	0	112.8	T3072 E3079 V3080	T3072-A3076 VanDerWaalsContact O-CB 3.3Å; T3072-A3076 WeakPolarHBondContact O-CB 3.16Å; T3072-A3076 PolarHBondContact O-N 3.45Å; A3076-E3079 PolarHBondContact O-N 2.89Å; A3076-V3080 WeakPolarHBondContact O-CB 3.27Å; A3076-V3080 VanDerWaalsContact O-CG2 3.3Å; A3076-V3080 WeakPolarHBondContact O-CG2 3.48Å; A3076-V3080 PolarHBondContact O-N 3.47Å
3077	S	87.3	Confident	83.3	Confident	55 Å²	55	35.6 Å²	35.6	39%	0.385	21%	0.207	S	C	.	.	H	α-helix	trans	-69	-37.9	174.6	55.4	0	0	0	0	112.3	P3073 I3074 V3080 T3081	P3073-S3077 VanDerWaalsContact O-CB 3.23Å; P3073-S3077 WeakPolarHBondContact O-CB 3.3Å; P3073-S3077 PolarHBondContact O-N 3.4Å; P3073-S3077 PolarHBondContact O-OG 3.4Å; I3074-S3077 WeakPolarHBondContact CA-OG 3.43Å; I3074-S3077 PolarHBondContact O-N 3.32Å; I3074-S3077 PolarHBondContact O-OG 3.47Å; I3074-S3077 VanDerWaalsContact O-OG 3.05Å; S3077-V3080 WeakPolarHBondContact O-CB 3.39Å; S3077-V3080 PolarHBondContact O-N 3.43Å; S3077-T3081 PolarHBondContact O-N 2.83Å; S3077-T3081 PolarHBondContact O-OG1 3.25Å
3078	C	87	Confident	84.1	Confident	15 Å²	15	36.7 Å²	36.7	10%	0.101	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-45.3	170.9	-69.1	0	0	0	0	111.7	I2983 Q2987 I3074 V3075 T3081 A3082	I2983-C3078 HydrophobicContact CG2-CB 3.79Å; I2983-C3078 WeakPolarHBondContact CG2-O 3.37Å; Q2987-C3078 HydrophobicContact CB-CB 3.96Å; Q2987-C3078 HydrophobicContact CG-CB 4.28Å; I3074-C3078 WeakPolarHBondContact O-CB 3.28Å; I3074-C3078 PolarHBondContact O-N 3.3Å; I3074-C3078 PolarHBondContact O-SG 3.41Å; V3075-C3078 PolarHBondContact O-N 3.2Å; C3078-T3081 PolarHBondContact O-N 3.17Å; C3078-A3082 VanDerWaalsContact O-CB 3.31Å; C3078-A3082 WeakPolarHBondContact O-CB 3.25Å; C3078-A3082 PolarHBondContact O-N 3.27Å
3079	E	84.5	Confident	84.8	Confident	48 Å²	48	37.1 Å²	37.1	22%	0.224	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-38.2	177.6	-174.5	180	172.5	0	0	112.2	V3026 V3075 A3076 A3082 N3083	V3026-E3079 HydrophobicContact CG1-CB 3.88Å; V3026-E3079 HydrophobicContact CG1-CG 3.83Å; V3026-E3079 HydrophobicContact CG2-CG 3.91Å; V3026-E3079 WeakPolarHBondContact CG2-OE1 3.36Å; V3075-E3079 PolarHBondContact O-N 2.76Å; A3076-E3079 PolarHBondContact O-N 2.89Å; E3079-A3082 PolarHBondContact O-N 3.41Å; E3079-N3083 WeakPolarHBondContact O-CB 3.23Å; E3079-N3083 PolarHBondContact O-N 2.94Å; E3079-N3083 PolarHBondContact O-ND2 3.32Å
3080	V	88.8	Confident	85.2	Confident	24 Å²	24	34.4 Å²	34.4	15%	0.145	19%	0.193	C	C	.	.	H	α-helix	trans	-55.6	-52.4	169.4	154.3	0	0	0	0	111.3	A3023 V3026 L3027 A3076 S3077 N3083 I3084	A3023-V3080 HydrophobicContact CB-CB 4.25Å; A3023-V3080 HydrophobicContact CB-CG1 4.05Å; A3023-V3080 HydrophobicContact CB-CG2 4.12Å; A3023-V3080 WeakPolarHBondContact O-CG2 3.46Å; V3026-V3080 HydrophobicContact CB-CG2 4.1Å; V3026-V3080 HydrophobicContact CG1-CG2 3.94Å; L3027-V3080 HydrophobicContact CB-CG2 3.94Å; L3027-V3080 HydrophobicContact CD1-CG2 4.48Å; A3076-V3080 WeakPolarHBondContact O-CB 3.27Å; A3076-V3080 VanDerWaalsContact O-CG2 3.3Å; A3076-V3080 WeakPolarHBondContact O-CG2 3.48Å; A3076-V3080 PolarHBondContact O-N 3.47Å; S3077-V3080 WeakPolarHBondContact O-CB 3.39Å; S3077-V3080 PolarHBondContact O-N 3.43Å; V3080-N3083 PolarHBondContact O-N 3.42Å; V3080-I3084 HydrophobicContact CG1-CD1 4.02Å; V3080-I3084 WeakPolarHBondContact O-CG1 3Å; V3080-I3084 PolarHBondContact O-N 2.87Å; V3080-I3084 VanDerWaalsContact O-N 3.08Å
3081	T	89.8	Confident	85.5	Confident	59 Å²	59	33.5 Å²	33.5	36%	0.362	19%	0.188	S	C	.	.	H	α-helix	trans	-67.3	-39.3	-178.4	-47	0	0	0	0	111.4	I2983 S3077 C3078 N3083 I3084 L3085	I2983-T3081 HydrophobicContact CD1-CG2 3.6Å; S3077-T3081 PolarHBondContact O-N 2.83Å; S3077-T3081 PolarHBondContact O-OG1 3.25Å; C3078-T3081 PolarHBondContact O-N 3.17Å; T3081-N3083 VanDerWaalsContact C-N 3.33Å; T3081-N3083 PolarHBondContact O-N 3.36Å; T3081-I3084 PolarHBondContact O-N 3.43Å; T3081-L3085 HydrophobicContact CG2-CD1 3.85Å; T3081-L3085 HydrophobicContact CG2-CG 4.27Å; T3081-L3085 WeakPolarHBondContact O-CB 3.47Å; T3081-L3085 VanDerWaalsContact O-CG 3.3Å; T3081-L3085 WeakPolarHBondContact O-CG 3.49Å; T3081-L3085 PolarHBondContact O-N 3.17Å
3082	A	85.7	Confident	85.6	Confident	10 Å²	10	36.5 Å²	36.5	8%	0.083	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-35.4	176.1	0	0	0	0	0	113	I2983 C3078 E3079 G3086	I2983-A3082 HydrophobicContact CG2-CB 4.19Å; C3078-A3082 VanDerWaalsContact O-CB 3.31Å; C3078-A3082 WeakPolarHBondContact O-CB 3.25Å; C3078-A3082 PolarHBondContact O-N 3.27Å; E3079-A3082 PolarHBondContact O-N 3.41Å; A3082-G3086 PolarHBondContact O-N 3.24Å
3083	N	86.6	Confident	85.4	Confident	14 Å²	14	38.8 Å²	38.8	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-70.6	-44.8	173.9	-83.9	-74.4	0	0	0	112.3	P3013 G3019 N3022 A3023 E3079 V3080 T3081 G3086 G3087	P3013-N3083 VanDerWaalsContact CG-O 3.23Å; P3013-N3083 WeakPolarHBondContact CG-O 3.49Å; G3019-N3083 WeakPolarHBondContact CA-O 3.37Å; N3022-N3083 HydrophobicContact CB-CB 4.49Å; A3023-N3083 HydrophobicContact CB-CB 4.48Å; E3079-N3083 WeakPolarHBondContact O-CB 3.23Å; E3079-N3083 PolarHBondContact O-N 2.94Å; E3079-N3083 PolarHBondContact O-ND2 3.32Å; V3080-N3083 PolarHBondContact O-N 3.42Å; T3081-N3083 VanDerWaalsContact C-N 3.33Å; T3081-N3083 PolarHBondContact O-N 3.36Å; N3083-G3086 PolarHBondContact O-N 3.41Å; N3083-G3087 PolarHBondContact O-N 3Å
3084	I	90.4	Very high	85.2	Confident	54 Å²	54	39.9 Å²	39.9	28%	0.277	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-45.8	177.4	-67.5	166.6	0	0	0	110.7	F3020 A3023 V3080 T3081 G3087 L3088	F3020-I3084 HydrophobicContact CD2-CD1 4.21Å; F3020-I3084 HydrophobicContact CD2-CG1 4.46Å; A3023-I3084 HydrophobicContact CB-CD1 4Å; A3023-I3084 HydrophobicContact CB-CG1 3.83Å; V3080-I3084 HydrophobicContact CG1-CD1 4.02Å; V3080-I3084 WeakPolarHBondContact O-CG1 3Å; V3080-I3084 PolarHBondContact O-N 2.87Å; V3080-I3084 VanDerWaalsContact O-N 3.08Å; T3081-I3084 PolarHBondContact O-N 3.43Å; I3084-G3087 PolarHBondContact O-N 3.37Å; I3084-L3088 PolarHBondContact O-N 3.24Å
3085	L	89.1	Confident	84.6	Confident	29 Å²	29	38.3 Å²	38.3	15%	0.152	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-37.9	175.5	-70.1	169.9	0	0	0	112.1	L2976 S2979 I2980 I2983 T3081 G3087 L3088 R3089	L2976-L3085 HydrophobicContact CD2-CB 4.06Å; L2976-L3085 HydrophobicContact CD2-CD2 4.23Å; L2976-L3085 HydrophobicContact CG-CD2 4.35Å; S2979-L3085 WeakPolarHBondContact OG-CD1 3.4Å; I2980-L3085 HydrophobicContact CD1-CB 3.97Å; I2980-L3085 HydrophobicContact CG1-CB 3.61Å; I2980-L3085 HydrophobicContact CG1-CD1 4.2Å; I2983-L3085 HydrophobicContact CD1-CD1 3.4Å; T3081-L3085 HydrophobicContact CG2-CD1 3.85Å; T3081-L3085 HydrophobicContact CG2-CG 4.27Å; T3081-L3085 WeakPolarHBondContact O-CB 3.47Å; T3081-L3085 VanDerWaalsContact O-CG 3.3Å; T3081-L3085 WeakPolarHBondContact O-CG 3.49Å; T3081-L3085 PolarHBondContact O-N 3.17Å; L3085-G3087 VanDerWaalsContact C-N 3.28Å; L3085-G3087 PolarHBondContact O-N 3.28Å; L3085-L3088 HydrophobicContact CD2-CD2 4.41Å; L3085-L3088 PolarHBondContact O-N 3.38Å; L3085-L3088 VanDerWaalsContact O-N 3.15Å; L3085-R3089 WeakPolarHBondContact O-CB 3.24Å; L3085-R3089 PolarHBondContact O-N 3.11Å
3086	G	83.8	Confident	84.3	Confident	5 Å²	5	38 Å²	38	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-40.6	172.9	0	0	0	0	0	112.7	A3082 N3083 N3090	A3082-G3086 PolarHBondContact O-N 3.24Å; N3083-G3086 PolarHBondContact O-N 3.41Å; G3086-N3090 WeakPolarHBondContact O-CB 3.34Å; G3086-N3090 PolarHBondContact O-N 2.97Å; G3086-N3090 VanDerWaalsContact O-N 3.07Å
3087	G	85.7	Confident	84	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.7	-36.1	174.6	0	0	0	0	0	113.1	D3015 I3016 N3083 I3084 L3085 Q3091	D3015-G3087 VanDerWaalsContact C-CA 3.41Å; D3015-G3087 CarbonylContact C-O 3.54Å; D3015-G3087 WeakPolarHBondContact O-CA 3.45Å; I3016-G3087 PolarHBondContact N-O 3.44Å; N3083-G3087 PolarHBondContact O-N 3Å; I3084-G3087 PolarHBondContact O-N 3.37Å; L3085-G3087 VanDerWaalsContact C-N 3.28Å; L3085-G3087 PolarHBondContact O-N 3.28Å; G3087-Q3091 VanDerWaalsContact O-CB 3.31Å; G3087-Q3091 WeakPolarHBondContact O-CB 3.31Å; G3087-Q3091 PolarHBondContact O-N 2.95Å
3088	L	88.9	Confident	83.6	Confident	59 Å²	59	39.5 Å²	39.5	31%	0.309	21%	0.209	S	C	.	.	H	α-helix	trans	-67.9	-44.6	173.8	-177.8	64.6	0	0	0	111.7	L2976 I3016 I3084 L3085 N3090 Q3091 L3092	L2976-L3088 HydrophobicContact CD1-CB 4.2Å; L2976-L3088 HydrophobicContact CD1-CD2 3.8Å; L2976-L3088 HydrophobicContact CD1-CG 3.71Å; L2976-L3088 HydrophobicContact CG-CD2 4.38Å; I3016-L3088 HydrophobicContact CD1-CB 4.38Å; I3016-L3088 HydrophobicContact CD1-CD1 3.54Å; I3016-L3088 HydrophobicContact CG1-CB 4.04Å; I3016-L3088 HydrophobicContact CG1-CD1 4.13Å; I3084-L3088 PolarHBondContact O-N 3.24Å; L3085-L3088 HydrophobicContact CD2-CD2 4.41Å; L3085-L3088 PolarHBondContact O-N 3.38Å; L3085-L3088 VanDerWaalsContact O-N 3.15Å; L3088-N3090 PolarHBondContact O-N 3.21Å; L3088-Q3091 PolarHBondContact O-N 3.01Å; L3088-L3092 HydrophobicContact CD1-CD1 4.15Å; L3088-L3092 HydrophobicContact CD1-CG 4.43Å; L3088-L3092 HydrophobicContact CG-CD1 3.9Å; L3088-L3092 WeakPolarHBondContact O-CB 3.42Å; L3088-L3092 WeakPolarHBondContact O-CD1 3.48Å; L3088-L3092 WeakPolarHBondContact O-CG 3.39Å; L3088-L3092 PolarHBondContact O-N 2.65Å
3089	R	86.4	Confident	83.1	Confident	22 Å²	22	40.2 Å²	40.2	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-54.2	-51.6	175.2	-179.8	-179.7	167.1	-116.8	-5.8	110.9	W2973 L2976 Q2977 I2980 L3085 L3092 R3093 D3100	W2973-R3089 HydrophobicContact CE3-CG 4.27Å; W2973-R3089 HydrophobicContact CH2-CG 3.49Å; W2973-R3089 VanDerWaalsContact CH2-CG 3.49Å; W2973-R3089 HydrophobicContact CZ2-CG 4.44Å; W2973-R3089 HydrophobicContact CZ3-CG 3.38Å; L2976-R3089 HydrophobicContact CD1-CB 4.31Å; L2976-R3089 HydrophobicContact CD2-CB 3.87Å; Q2977-R3089 VanDerWaalsContact OE1-NE 3.09Å; I2980-R3089 HydrophobicContact CD1-CB 4.17Å; L3085-R3089 WeakPolarHBondContact O-CB 3.24Å; L3085-R3089 PolarHBondContact O-N 3.11Å; R3089-L3092 PolarHBondContact O-N 3.31Å; R3089-R3093 PolarHBondContact O-N 3.07Å; R3089-D3100 IonicContact CZ-OD2 2.86Å; R3089-D3100 VanDerWaalsContact CZ-OD2 3.24Å; R3089-D3100 IonicContact NH1-OD2 3.31Å; R3089-D3100 PolarHBondContact NH1-OD2 3.24Å; R3089-D3100 IonicContact NH2-OD2 3.73Å; R3089-D3100 PolarHBondContact NH2-OD2 3.06Å
3090	N	83.7	Confident	82.8	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.011	20%	0.204	C	C	.	.	H	α-helix	trans	-69.9	-32.3	-179.4	-72.1	-1.9	0	0	0	112.6	Q3012 P3013 A3014 G3086 L3088 R3093 P3094 K3097	Q3012-N3090 PolarHBondContact NE2-ND2 3.48Å; Q3012-N3090 PolarHBondContact NE2-OD1 3.33Å; Q3012-N3090 VanDerWaalsContact NE2-OD1 3.1Å; P3013-N3090 PolarHBondContact O-ND2 3.43Å; A3014-N3090 WeakPolarHBondContact O-CB 3.46Å; G3086-N3090 WeakPolarHBondContact O-CB 3.34Å; G3086-N3090 PolarHBondContact O-N 2.97Å; G3086-N3090 VanDerWaalsContact O-N 3.07Å; L3088-N3090 PolarHBondContact O-N 3.21Å; N3090-R3093 CarbonylContact O-C 3.57Å; N3090-R3093 VanDerWaalsContact O-C 3.27Å; N3090-P3094 WeakPolarHBondContact O-CA 3.49Å; N3090-P3094 VanDerWaalsContact O-N 3.1Å; N3090-K3097 HydrophobicContact CB-CB 4.24Å
3091	Q	85.6	Confident	82.4	Confident	109 Å²	109	39.1 Å²	39.1	51%	0.509	20%	0.204	S	C	.	.	H	α-helix	trans	-71	-32	173.6	-174.1	176.6	-34.2	0	0	112.9	I3016 G3087 L3088	I3016-Q3091 HydrophobicContact CG1-CB 4.37Å; I3016-Q3091 VanDerWaalsContact CG1-OE1 3.24Å; G3087-Q3091 VanDerWaalsContact O-CB 3.31Å; G3087-Q3091 WeakPolarHBondContact O-CB 3.31Å; G3087-Q3091 PolarHBondContact O-N 2.95Å; L3088-Q3091 PolarHBondContact O-N 3.01Å
3092	L	81.4	Confident	81.9	Confident	87 Å²	87	39 Å²	39	46%	0.455	20%	0.199	S	C	.	.	H	α-helix	trans	-74.7	-39.9	176.4	-75.4	159.8	0	0	0	112.5	L2972 L2976 L3088 R3089	L2972-L3092 HydrophobicContact CD2-CD1 3.55Å; L2976-L3092 HydrophobicContact CD1-CD1 3.39Å; L3088-L3092 HydrophobicContact CD1-CD1 4.15Å; L3088-L3092 HydrophobicContact CD1-CG 4.43Å; L3088-L3092 HydrophobicContact CG-CD1 3.9Å; L3088-L3092 WeakPolarHBondContact O-CB 3.42Å; L3088-L3092 WeakPolarHBondContact O-CD1 3.48Å; L3088-L3092 WeakPolarHBondContact O-CG 3.39Å; L3088-L3092 PolarHBondContact O-N 2.65Å; R3089-L3092 PolarHBondContact O-N 3.31Å
3093	R	76.2	Confident	81.8	Confident	58 Å²	58	39.3 Å²	39.3	22%	0.219	20%	0.199	C	C	.	.			trans	-135.3	88.1	176.4	-165.1	175.5	-174.4	-179	-1.7	110.1	Y2575 W2973 R3089 N3090 E3095 A3096	Y2575-R3093 PolarHBondContact O-NH2 3.36Å; W2973-R3093 HydrophobicContact CE3-CB 4.07Å; W2973-R3093 HydrophobicContact CZ3-CB 3.73Å; R3089-R3093 PolarHBondContact O-N 3.07Å; N3090-R3093 CarbonylContact O-C 3.57Å; N3090-R3093 VanDerWaalsContact O-C 3.27Å; R3093-E3095 HydrophobicContact CG-CB 4.11Å; R3093-E3095 HydrophobicContact CG-CG 4.41Å; R3093-E3095 VanDerWaalsContact CG-OE2 3.29Å; R3093-E3095 WeakPolarHBondContact CG-OE2 3.26Å; R3093-E3095 IonicContact CZ-OE2 3.53Å; R3093-E3095 IonicContact NE-OE2 2.65Å; R3093-E3095 PolarHBondContact NE-OE2 2.72Å; R3093-E3095 IonicContact NH2-OE2 3.74Å; R3093-E3095 PolarHBondContact O-N 2.9Å; R3093-E3095 VanDerWaalsContact O-N 3.12Å; R3093-A3096 HydrophobicContact CB-CB 4.38Å; R3093-A3096 HydrophobicContact CG-CB 4.35Å; R3093-A3096 WeakPolarHBondContact O-CB 3.3Å; R3093-A3096 PolarHBondContact O-N 3.09Å
3094	P	78.2	Confident	81.7	Confident	83 Å²	83	41.3 Å²	41.3	54%	0.539	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-20.5	-178.9	25.9	-35.1	0	0	0	112.7	N3090 A3096 K3097 V3098	N3090-P3094 WeakPolarHBondContact O-CA 3.49Å; N3090-P3094 VanDerWaalsContact O-N 3.1Å; P3094-A3096 VanDerWaalsContact C-N 3.33Å; P3094-K3097 WeakPolarHBondContact O-CB 3.42Å; P3094-K3097 PolarHBondContact O-N 2.72Å; P3094-V3098 PolarHBondContact O-N 3.39Å
3095	E	72.8	Confident	81.3	Confident	49 Å²	49	41 Å²	41	23%	0.229	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-38.5	174.1	-48.7	162.5	145.2	0	0	111.6	Y2575 R3093 K3097 V3098 E3099	Y2575-E3095 WeakPolarHBondContact CA-OE1 3.19Å; Y2575-E3095 HydrophobicContact CD1-CB 4.16Å; Y2575-E3095 HydrophobicContact CD1-CG 3.82Å; Y2575-E3095 HydrophobicContact CG-CB 4.27Å; Y2575-E3095 HydrophobicContact CG-CG 4.32Å; Y2575-E3095 VanDerWaalsContact O-OE2 3.13Å; R3093-E3095 HydrophobicContact CG-CB 4.11Å; R3093-E3095 HydrophobicContact CG-CG 4.41Å; R3093-E3095 VanDerWaalsContact CG-OE2 3.29Å; R3093-E3095 WeakPolarHBondContact CG-OE2 3.26Å; R3093-E3095 IonicContact CZ-OE2 3.53Å; R3093-E3095 IonicContact NE-OE2 2.65Å; R3093-E3095 PolarHBondContact NE-OE2 2.72Å; R3093-E3095 IonicContact NH2-OE2 3.74Å; R3093-E3095 PolarHBondContact O-N 2.9Å; R3093-E3095 VanDerWaalsContact O-N 3.12Å; E3095-K3097 PolarHBondContact O-N 3.36Å; E3095-V3098 CarbonylContact O-C 3.49Å; E3095-V3098 WeakPolarHBondContact O-CA 3.44Å; E3095-V3098 WeakPolarHBondContact O-CB 3.31Å; E3095-V3098 PolarHBondContact O-N 2.9Å; E3095-E3099 PolarHBondContact O-N 3.1Å
3096	A	75.1	Confident	80.3	Confident	5 Å²	5	43 Å²	43	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-26.8	179	0	0	0	0	0	112.3	W2973 R3093 P3094 D3100	W2973-A3096 HydrophobicContact CH2-CB 3.41Å; W2973-A3096 VanDerWaalsContact CH2-CB 3.41Å; W2973-A3096 HydrophobicContact CZ2-CB 4.31Å; W2973-A3096 HydrophobicContact CZ3-CB 4.01Å; R3093-A3096 HydrophobicContact CB-CB 4.38Å; R3093-A3096 HydrophobicContact CG-CB 4.35Å; R3093-A3096 WeakPolarHBondContact O-CB 3.3Å; R3093-A3096 PolarHBondContact O-N 3.09Å; P3094-A3096 VanDerWaalsContact C-N 3.33Å; A3096-D3100 WeakPolarHBondContact O-CB 3.43Å; A3096-D3100 PolarHBondContact O-N 3.29Å
3097	K	77.3	Confident	79.1	Confident	43 Å²	43	43.4 Å²	43.4	19%	0.187	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-39.2	168.8	-177.5	-174.1	174.2	-75.3	0	111.5	A3014 N3090 P3094 E3095 D3100 E3101	A3014-K3097 HydrophobicContact CB-CD 4.01Å; A3014-K3097 VanDerWaalsContact CB-CE 3.49Å; N3090-K3097 HydrophobicContact CB-CB 4.24Å; P3094-K3097 WeakPolarHBondContact O-CB 3.42Å; P3094-K3097 PolarHBondContact O-N 2.72Å; E3095-K3097 PolarHBondContact O-N 3.36Å; K3097-D3100 PolarHBondContact O-N 3Å; K3097-E3101 IonicContact NZ-OE1 3.35Å; K3097-E3101 PolarHBondContact NZ-OE1 3.17Å; K3097-E3101 IonicContact NZ-OE2 3.58Å; K3097-E3101 PolarHBondContact NZ-OE2 3.27Å; K3097-E3101 WeakPolarHBondContact O-CB 3.15Å; K3097-E3101 WeakPolarHBondContact O-CG 3.28Å; K3097-E3101 PolarHBondContact O-N 3.3Å
3098	V	78.2	Confident	77.5	Confident	54 Å²	54	48.9 Å²	48.9	33%	0.327	24%	0.236	S	C	.	.	H	α-helix	trans	-67.3	-39.6	175.9	-179	0	0	0	0	110.5	P3094 E3095 E3101 Q3102	P3094-V3098 PolarHBondContact O-N 3.39Å; E3095-V3098 CarbonylContact O-C 3.49Å; E3095-V3098 WeakPolarHBondContact O-CA 3.44Å; E3095-V3098 WeakPolarHBondContact O-CB 3.31Å; E3095-V3098 PolarHBondContact O-N 2.9Å; V3098-E3101 PolarHBondContact O-N 3.37Å; V3098-Q3102 WeakPolarHBondContact O-CB 3.41Å; V3098-Q3102 VanDerWaalsContact O-CG 3.3Å; V3098-Q3102 WeakPolarHBondContact O-CG 3.37Å; V3098-Q3102 PolarHBondContact O-N 2.8Å
3099	E	77.7	Confident	75.3	Confident	30 Å²	30	49.5 Å²	49.5	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-45.7	171.7	-71.9	-166.7	-118.1	0	0	112.2	K2689 E3095 E3101 Q3102 K3103	K2689-E3099 IonicContact NZ-OE2 3.1Å; K2689-E3099 PolarHBondContact NZ-OE2 3.32Å; E3095-E3099 PolarHBondContact O-N 3.1Å; E3099-E3101 VanDerWaalsContact C-N 3.34Å; E3099-E3101 PolarHBondContact O-N 3.07Å; E3099-Q3102 PolarHBondContact O-N 3.1Å; E3099-K3103 WeakPolarHBondContact O-CB 3.44Å; E3099-K3103 PolarHBondContact O-N 3.27Å
3100	D	78.4	Confident	72.7	Confident	16 Å²	16	58.2 Å²	58.2	9%	0.086	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-30.1	175.9	-78.7	-42	0	0	0	112.7	Q3012 R3089 A3096 K3097 W3104 T3107	Q3012-D3100 PolarHBondContact NE2-OD2 2.97Å; Q3012-D3100 PolarHBondContact OE1-OD2 3.08Å; R3089-D3100 IonicContact CZ-OD2 2.86Å; R3089-D3100 VanDerWaalsContact CZ-OD2 3.24Å; R3089-D3100 IonicContact NH1-OD2 3.31Å; R3089-D3100 PolarHBondContact NH1-OD2 3.24Å; R3089-D3100 IonicContact NH2-OD2 3.73Å; R3089-D3100 PolarHBondContact NH2-OD2 3.06Å; A3096-D3100 WeakPolarHBondContact O-CB 3.43Å; A3096-D3100 PolarHBondContact O-N 3.29Å; K3097-D3100 PolarHBondContact O-N 3Å; D3100-W3104 VanDerWaalsContact O-CD1 3.22Å; D3100-W3104 PolarHBondContact O-N 3.42Å; D3100-W3104 PolarHBondContact OD1-NE1 3.4Å; D3100-T3107 PolarHBondContact O-OG1 3.41Å
3101	E	78.7	Confident	72.2	Confident	34 Å²	34	61 Å²	61	16%	0.159	32%	0.318	C	S	.	.	H	α-helix	trans	-71	-33.7	171.3	-81.4	176.5	157.6	0	0	112.3	R3011 K3097 V3098 E3099 T3107 Y3108	R3011-E3101 IonicContact CZ-OE1 3.17Å; R3011-E3101 IonicContact NH2-OE1 2.74Å; R3011-E3101 PolarHBondContact NH2-OE1 2.81Å; K3097-E3101 IonicContact NZ-OE1 3.35Å; K3097-E3101 PolarHBondContact NZ-OE1 3.17Å; K3097-E3101 IonicContact NZ-OE2 3.58Å; K3097-E3101 PolarHBondContact NZ-OE2 3.27Å; K3097-E3101 WeakPolarHBondContact O-CB 3.15Å; K3097-E3101 WeakPolarHBondContact O-CG 3.28Å; K3097-E3101 PolarHBondContact O-N 3.3Å; V3098-E3101 PolarHBondContact O-N 3.37Å; E3099-E3101 VanDerWaalsContact C-N 3.34Å; E3099-E3101 PolarHBondContact O-N 3.07Å; E3101-T3107 HydrophobicContact CB-CG2 4.46Å; E3101-T3107 HydrophobicContact CG-CG2 3.43Å; E3101-T3107 VanDerWaalsContact CG-CG2 3.43Å; E3101-Y3108 WeakPolarHBondContact O-CE2 3.49Å; E3101-Y3108 PolarHBondContact O-OH 3.49Å
3102	Q	80.8	Confident	71.5	Confident	55 Å²	55	58.5 Å²	58.5	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-76.8	-39.1	174	-72.5	170.7	-0.4	0	0	112.5	N2565 Q2566 V3098 E3099	N2565-Q3102 PolarHBondContact ND2-O 3.32Å; N2565-Q3102 VanDerWaalsContact ND2-O 3.16Å; Q2566-Q3102 WeakPolarHBondContact CG-O 3.45Å; V3098-Q3102 WeakPolarHBondContact O-CB 3.41Å; V3098-Q3102 VanDerWaalsContact O-CG 3.3Å; V3098-Q3102 WeakPolarHBondContact O-CG 3.37Å; V3098-Q3102 PolarHBondContact O-N 2.8Å; E3099-Q3102 PolarHBondContact O-N 3.1Å
3103	K	83.9	Confident	70.9	Confident	18 Å²	18	56.9 Å²	56.9	8%	0.078	30%	0.3	C	S	.	.	H	α-helix	trans	-74.8	-39.9	-173.5	179.5	173.4	177.1	-175.6	0	113.7	V2564 N2565 N2691 D2807 H2809 E3099	V2564-K3103 CarbonylContact C-O 3.08Å; V2564-K3103 WeakPolarHBondContact CA-O 3.41Å; N2565-K3103 PolarHBondContact N-O 2.69Å; N2691-K3103 WeakPolarHBondContact OD1-CD 3.16Å; N2691-K3103 WeakPolarHBondContact OD1-CE 3.42Å; D2807-K3103 WeakPolarHBondContact OD2-CE 3.4Å; D2807-K3103 IonicContact OD2-NZ 2.65Å; D2807-K3103 PolarHBondContact OD2-NZ 3.04Å; H2809-K3103 PolarHBondContact CE1-NZ 3.34Å; H2809-K3103 PolarHBondContact NE2-NZ 3.09Å; E3099-K3103 WeakPolarHBondContact O-CB 3.44Å; E3099-K3103 PolarHBondContact O-N 3.27Å
3104	W	83.4	Confident	70.6	Confident	56 Å²	56	56.8 Å²	56.8	21%	0.212	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-110.2	134.7	-169.8	-54.2	113.3	0	0	0	113.2	N2563 V2564 H2809 D3100 N3106 T3107	N2563-W3104 HydrophobicContact CB-CE3 4.02Å; N2563-W3104 HydrophobicContact CB-CZ3 4.19Å; N2563-W3104 WeakPolarHBondContact O-CA 3.13Å; V2564-W3104 HydrophobicContact CG2-CZ3 4.22Å; H2809-W3104 AromaticContact CD2-CH2 3.86Å; H2809-W3104 AromaticContact CE1-CH2 3.87Å; H2809-W3104 AromaticContact NE2-CH2 3.47Å; H2809-W3104 WeakPolarHBondContact NE2-CH2 3.41Å; H2809-W3104 AromaticContact NE2-CZ2 4Å; D3100-W3104 VanDerWaalsContact O-CD1 3.22Å; D3100-W3104 PolarHBondContact O-N 3.42Å; D3100-W3104 PolarHBondContact OD1-NE1 3.4Å; W3104-N3106 PolarHBondContact O-N 3.44Å; W3104-T3107 PolarHBondContact O-OG1 3.39Å
3105	K	82.4	Confident	70.1	Confident	47 Å²	47	55.2 Å²	55.2	20%	0.204	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-60.8	-45	176.9	-70.7	174.8	174.7	126.5	0	112.1	D2557 V2559 S2562 N2563 V2564 N2565 T3107 Y3108	D2557-K3105 WeakPolarHBondContact O-CE 3.41Å; D2557-K3105 PolarHBondContact O-NZ 3.4Å; D2557-K3105 IonicContact OD1-NZ 2.7Å; D2557-K3105 PolarHBondContact OD1-NZ 3.23Å; V2559-K3105 PolarHBondContact O-NZ 2.93Å; S2562-K3105 WeakPolarHBondContact O-CD 3.37Å; S2562-K3105 PolarHBondContact O-NZ 3.34Å; N2563-K3105 PolarHBondContact O-N 2.71Å; V2564-K3105 WeakPolarHBondContact O-CE 3.38Å; V2564-K3105 PolarHBondContact O-NZ 3.44Å; N2565-K3105 HydrophobicContact CB-CG 3.9Å; K3105-T3107 PolarHBondContact O-N 2.93Å; K3105-T3107 VanDerWaalsContact O-N 3.1Å; K3105-Y3108 PolarHBondContact O-N 3.33Å
3106	N	67.7	Low	69.9	Low	71 Å²	71	55.6 Å²	55.6	38%	0.38	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-65.4	-18.1	-168.9	-55.7	33.6	0	0	0	114.2	W3104 Y3108 G3109	W3104-N3106 PolarHBondContact O-N 3.44Å; N3106-Y3108 PolarHBondContact O-N 3Å; N3106-G3109 PolarHBondContact O-N 3.09Å
3107	T	59.3	Low	69.6	Low	13 Å²	13	59.2 Å²	59.2	8%	0.08	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-70.7	-15.8	-174.7	-33.7	0	0	0	0	113.2	D3100 E3101 W3104 K3105	D3100-T3107 PolarHBondContact O-OG1 3.41Å; E3101-T3107 HydrophobicContact CB-CG2 4.46Å; E3101-T3107 HydrophobicContact CG-CG2 3.43Å; E3101-T3107 VanDerWaalsContact CG-CG2 3.43Å; W3104-T3107 PolarHBondContact O-OG1 3.39Å; K3105-T3107 PolarHBondContact O-N 2.93Å; K3105-T3107 VanDerWaalsContact O-N 3.1Å
3108	Y	51.9	Low	69	Low	116 Å²	116	60.5 Å²	60.5	46%	0.455	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-85.2	-9	177.8	-70	-73.6	0	0	0	114.9	E3101 K3105 N3106	E3101-Y3108 WeakPolarHBondContact O-CE2 3.49Å; E3101-Y3108 PolarHBondContact O-OH 3.49Å; K3105-Y3108 PolarHBondContact O-N 3.33Å; N3106-Y3108 PolarHBondContact O-N 3Å
3109	G	41.6	Very low	68.2	Low	72 Å²	72	61 Å²	61	74%	0.742	32%	0.322	S	S	*	.			trans	75.6	35.8	-178.1	0	0	0	0	0	114.1	N3106	N3106-G3109 PolarHBondContact O-N 3.09Å
3110	L	32.6	Very low	67.3	Low	204 Å²	204	63.8 Å²	63.8	100%	1.068	34%	0.338	S	S	*	.			trans	-95.1	0	167.6	-70.1	166.6	0	0	0	109.9

Retrieved 3,110 of 3,110 residues in 1580 ms (Link to these results)

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